USER MOD reduce.3.24.130724 H: found=0, std=0, add=803, rem=0, adj=20 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 46 ASN : amide:sc= -0.0276 K(o=0.52,f=-1) USER MOD Set 1.2: A 56 TYR OH : rot -41:sc= 0.549 USER MOD Set 2.1: A 29 THR OG1 : rot -137:sc= 0.0132 USER MOD Set 2.2: A 32 THR OG1 : rot 142:sc= 0.681 USER MOD Single : A 19 SER OG : rot 140:sc= -0.257 USER MOD Single : A 26 CYS SG : rot -59:sc= 0.991 USER MOD Single : A 27 GLN : amide:sc= -0.124 K(o=-0.12,f=-2.2!) USER MOD Single : A 28 ASN : amide:sc= -0.0151 K(o=-0.015,f=-1.2) USER MOD Single : A 37 SER OG : rot -87:sc= 0.45 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot 69:sc= 0.0515 USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc= -2.36 K(o=-2.4,f=-0.97) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 SER OG : rot 180:sc= -0.0856 USER MOD Single : A 63 ASN : amide:sc= -2.2 X(o=-2.2,f=-2.3) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0.07 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot -28:sc= -0.0165 USER MOD Single : A 79 CYS SG : rot 170:sc= -0.23 USER MOD Single : A 83 MET CE :methyl 148:sc= -0.962 (180deg=-2.78!) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 HIS : no HE2:sc= -0.28 K(o=-0.28,f=-4!) 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= 0.02 USER MOD Single : A 102 GLN : amide:sc= -2.53! C(o=-2.5!,f=-3!) USER MOD Single : A 104 GLN : amide:sc= 0 X(o=0,f=-0.023) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 SER OG : rot 180:sc= 0.0969 USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 201 N ALA A 18 12.470 -6.613 2.069 1.00 54.20 N ATOM 202 CA ALA A 18 11.726 -6.618 3.321 1.00 23.20 C ATOM 203 C ALA A 18 10.324 -6.049 3.131 1.00 63.24 C ATOM 204 O ALA A 18 10.121 -5.126 2.343 1.00 23.30 O ATOM 205 CB ALA A 18 12.477 -5.831 4.385 1.00 72.22 C ATOM 0 HA ALA A 18 11.628 -7.652 3.651 1.00 23.20 H new ATOM 0 HB1 ALA A 18 11.909 -5.843 5.315 1.00 72.22 H new ATOM 0 HB2 ALA A 18 13.454 -6.284 4.551 1.00 72.22 H new ATOM 0 HB3 ALA A 18 12.606 -4.801 4.052 1.00 72.22 H new ATOM 211 N SER A 19 9.360 -6.608 3.854 1.00 75.31 N ATOM 212 CA SER A 19 7.976 -6.159 3.761 1.00 74.43 C ATOM 213 C SER A 19 7.078 -6.965 4.695 1.00 24.51 C ATOM 214 O SER A 19 6.229 -7.744 4.263 1.00 72.43 O ATOM 215 CB SER A 19 7.474 -6.283 2.320 1.00 73.21 C ATOM 216 OG SER A 19 8.161 -7.311 1.627 1.00 52.23 O ATOM 0 H SER A 19 9.512 -7.373 4.511 1.00 75.31 H new ATOM 0 HA SER A 19 7.939 -5.113 4.064 1.00 74.43 H new ATOM 0 HB2 SER A 19 6.404 -6.493 2.321 1.00 73.21 H new ATOM 0 HB3 SER A 19 7.612 -5.335 1.801 1.00 73.21 H new ATOM 0 HG SER A 19 7.529 -7.805 1.064 1.00 52.23 H new ATOM 222 N PRO A 20 7.270 -6.774 6.008 1.00 3.05 N ATOM 223 CA PRO A 20 6.488 -7.473 7.033 1.00 63.41 C ATOM 224 C PRO A 20 5.039 -7.003 7.077 1.00 30.13 C ATOM 225 O PRO A 20 4.120 -7.807 7.229 1.00 22.21 O ATOM 226 CB PRO A 20 7.207 -7.113 8.335 1.00 1.12 C ATOM 227 CG PRO A 20 7.883 -5.816 8.049 1.00 4.11 C ATOM 228 CD PRO A 20 8.265 -5.861 6.595 1.00 44.22 C ATOM 0 HA PRO A 20 6.433 -8.545 6.843 1.00 63.41 H new ATOM 0 HB2 PRO A 20 6.504 -7.019 9.162 1.00 1.12 H new ATOM 0 HB3 PRO A 20 7.927 -7.882 8.615 1.00 1.12 H new ATOM 0 HG2 PRO A 20 7.218 -4.976 8.252 1.00 4.11 H new ATOM 0 HG3 PRO A 20 8.762 -5.687 8.680 1.00 4.11 H new ATOM 0 HD2 PRO A 20 8.222 -4.873 6.138 1.00 44.22 H new ATOM 0 HD3 PRO A 20 9.281 -6.232 6.458 1.00 44.22 H new ATOM 236 N ALA A 21 4.841 -5.696 6.942 1.00 4.23 N ATOM 237 CA ALA A 21 3.503 -5.120 6.964 1.00 50.55 C ATOM 238 C ALA A 21 2.652 -5.662 5.821 1.00 4.32 C ATOM 239 O ALA A 21 1.445 -5.852 5.968 1.00 31.24 O ATOM 240 CB ALA A 21 3.580 -3.601 6.892 1.00 64.31 C ATOM 0 H ALA A 21 5.591 -5.016 6.816 1.00 4.23 H new ATOM 0 HA ALA A 21 3.028 -5.405 7.903 1.00 50.55 H new ATOM 0 HB1 ALA A 21 2.573 -3.184 6.909 1.00 64.31 H new ATOM 0 HB2 ALA A 21 4.143 -3.224 7.746 1.00 64.31 H new ATOM 0 HB3 ALA A 21 4.079 -3.305 5.969 1.00 64.31 H new ATOM 246 N VAL A 22 3.290 -5.911 4.682 1.00 45.15 N ATOM 247 CA VAL A 22 2.592 -6.433 3.513 1.00 52.13 C ATOM 248 C VAL A 22 2.103 -7.856 3.755 1.00 24.12 C ATOM 249 O VAL A 22 0.946 -8.179 3.488 1.00 22.42 O ATOM 250 CB VAL A 22 3.495 -6.416 2.266 1.00 52.34 C ATOM 251 CG1 VAL A 22 2.677 -6.686 1.011 1.00 43.13 C ATOM 252 CG2 VAL A 22 4.230 -5.089 2.157 1.00 2.44 C ATOM 0 H VAL A 22 4.289 -5.760 4.544 1.00 45.15 H new ATOM 0 HA VAL A 22 1.735 -5.783 3.340 1.00 52.13 H new ATOM 0 HB VAL A 22 4.237 -7.208 2.366 1.00 52.34 H new ATOM 0 HG11 VAL A 22 3.332 -6.670 0.140 1.00 43.13 H new ATOM 0 HG12 VAL A 22 2.202 -7.664 1.090 1.00 43.13 H new ATOM 0 HG13 VAL A 22 1.911 -5.918 0.904 1.00 43.13 H new ATOM 0 HG21 VAL A 22 4.863 -5.096 1.270 1.00 2.44 H new ATOM 0 HG22 VAL A 22 3.506 -4.277 2.080 1.00 2.44 H new ATOM 0 HG23 VAL A 22 4.848 -4.942 3.043 1.00 2.44 H new ATOM 262 N ALA A 23 2.993 -8.703 4.264 1.00 2.02 N ATOM 263 CA ALA A 23 2.651 -10.092 4.545 1.00 43.24 C ATOM 264 C ALA A 23 1.641 -10.189 5.681 1.00 73.31 C ATOM 265 O ALA A 23 0.722 -11.006 5.639 1.00 72.42 O ATOM 266 CB ALA A 23 3.906 -10.885 4.881 1.00 12.44 C ATOM 0 H ALA A 23 3.955 -8.451 4.490 1.00 2.02 H new ATOM 0 HA ALA A 23 2.194 -10.517 3.652 1.00 43.24 H new ATOM 0 HB1 ALA A 23 3.637 -11.921 5.089 1.00 12.44 H new ATOM 0 HB2 ALA A 23 4.595 -10.851 4.037 1.00 12.44 H new ATOM 0 HB3 ALA A 23 4.386 -10.452 5.758 1.00 12.44 H new ATOM 272 N GLU A 24 1.817 -9.351 6.699 1.00 63.03 N ATOM 273 CA GLU A 24 0.920 -9.345 7.848 1.00 14.02 C ATOM 274 C GLU A 24 -0.503 -8.990 7.426 1.00 20.02 C ATOM 275 O GLU A 24 -1.471 -9.587 7.898 1.00 0.13 O ATOM 276 CB GLU A 24 1.412 -8.354 8.903 1.00 13.45 C ATOM 277 CG GLU A 24 0.712 -8.494 10.244 1.00 2.32 C ATOM 278 CD GLU A 24 1.569 -8.019 11.401 1.00 1.22 C ATOM 279 OE1 GLU A 24 2.596 -8.668 11.686 1.00 22.43 O ATOM 280 OE2 GLU A 24 1.211 -6.996 12.023 1.00 2.11 O ATOM 0 H GLU A 24 2.573 -8.668 6.751 1.00 63.03 H new ATOM 0 HA GLU A 24 0.915 -10.347 8.276 1.00 14.02 H new ATOM 0 HB2 GLU A 24 2.484 -8.491 9.046 1.00 13.45 H new ATOM 0 HB3 GLU A 24 1.267 -7.339 8.532 1.00 13.45 H new ATOM 0 HG2 GLU A 24 -0.217 -7.924 10.226 1.00 2.32 H new ATOM 0 HG3 GLU A 24 0.442 -9.538 10.401 1.00 2.32 H new ATOM 287 N LEU A 25 -0.622 -8.013 6.534 1.00 75.41 N ATOM 288 CA LEU A 25 -1.927 -7.576 6.046 1.00 23.35 C ATOM 289 C LEU A 25 -2.520 -8.601 5.083 1.00 32.34 C ATOM 290 O LEU A 25 -3.727 -8.841 5.084 1.00 12.11 O ATOM 291 CB LEU A 25 -1.805 -6.218 5.352 1.00 14.14 C ATOM 292 CG LEU A 25 -2.320 -6.151 3.915 1.00 2.24 C ATOM 293 CD1 LEU A 25 -3.840 -6.201 3.890 1.00 64.20 C ATOM 294 CD2 LEU A 25 -1.814 -4.891 3.227 1.00 71.54 C ATOM 0 H LEU A 25 0.169 -7.508 6.133 1.00 75.41 H new ATOM 0 HA LEU A 25 -2.595 -7.481 6.902 1.00 23.35 H new ATOM 0 HB2 LEU A 25 -2.345 -5.480 5.945 1.00 14.14 H new ATOM 0 HB3 LEU A 25 -0.755 -5.924 5.355 1.00 14.14 H new ATOM 0 HG LEU A 25 -1.940 -7.016 3.371 1.00 2.24 H new ATOM 0 HD11 LEU A 25 -4.189 -6.152 2.858 1.00 64.20 H new ATOM 0 HD12 LEU A 25 -4.181 -7.131 4.345 1.00 64.20 H new ATOM 0 HD13 LEU A 25 -4.241 -5.356 4.449 1.00 64.20 H new ATOM 0 HD21 LEU A 25 -2.190 -4.859 2.204 1.00 71.54 H new ATOM 0 HD22 LEU A 25 -2.165 -4.014 3.770 1.00 71.54 H new ATOM 0 HD23 LEU A 25 -0.724 -4.897 3.213 1.00 71.54 H new ATOM 306 N CYS A 26 -1.662 -9.202 4.268 1.00 63.21 N ATOM 307 CA CYS A 26 -2.101 -10.202 3.301 1.00 71.20 C ATOM 308 C CYS A 26 -2.655 -11.435 4.006 1.00 31.22 C ATOM 309 O CYS A 26 -3.319 -12.269 3.390 1.00 72.44 O ATOM 310 CB CYS A 26 -0.941 -10.602 2.387 1.00 32.23 C ATOM 311 SG CYS A 26 -0.069 -12.097 2.912 1.00 50.54 S ATOM 0 H CYS A 26 -0.659 -9.015 4.257 1.00 63.21 H new ATOM 0 HA CYS A 26 -2.896 -9.763 2.698 1.00 71.20 H new ATOM 0 HB2 CYS A 26 -1.323 -10.753 1.377 1.00 32.23 H new ATOM 0 HB3 CYS A 26 -0.230 -9.777 2.339 1.00 32.23 H new ATOM 0 HG CYS A 26 0.409 -11.923 4.108 1.00 50.54 H new ATOM 317 N GLN A 27 -2.378 -11.544 5.302 1.00 21.14 N ATOM 318 CA GLN A 27 -2.847 -12.677 6.091 1.00 1.44 C ATOM 319 C GLN A 27 -4.371 -12.737 6.103 1.00 74.41 C ATOM 320 O GLN A 27 -4.958 -13.771 6.416 1.00 31.13 O ATOM 321 CB GLN A 27 -2.318 -12.581 7.523 1.00 23.41 C ATOM 322 CG GLN A 27 -0.801 -12.593 7.612 1.00 32.53 C ATOM 323 CD GLN A 27 -0.297 -13.171 8.921 1.00 20.52 C ATOM 324 OE1 GLN A 27 -1.078 -13.663 9.736 1.00 30.24 O ATOM 325 NE2 GLN A 27 1.013 -13.116 9.127 1.00 54.54 N ATOM 0 H GLN A 27 -1.831 -10.862 5.827 1.00 21.14 H new ATOM 0 HA GLN A 27 -2.469 -13.590 5.631 1.00 1.44 H new ATOM 0 HB2 GLN A 27 -2.693 -11.665 7.980 1.00 23.41 H new ATOM 0 HB3 GLN A 27 -2.715 -13.413 8.105 1.00 23.41 H new ATOM 0 HG2 GLN A 27 -0.397 -13.174 6.783 1.00 32.53 H new ATOM 0 HG3 GLN A 27 -0.426 -11.576 7.500 1.00 32.53 H new ATOM 0 HE21 GLN A 27 1.623 -12.699 8.424 1.00 54.54 H new ATOM 0 HE22 GLN A 27 1.410 -13.491 9.989 1.00 54.54 H new ATOM 334 N ASN A 28 -5.006 -11.621 5.759 1.00 63.43 N ATOM 335 CA ASN A 28 -6.461 -11.547 5.730 1.00 21.45 C ATOM 336 C ASN A 28 -7.005 -12.035 4.391 1.00 34.31 C ATOM 337 O ASN A 28 -7.925 -12.854 4.342 1.00 3.02 O ATOM 338 CB ASN A 28 -6.926 -10.113 5.989 1.00 13.31 C ATOM 339 CG ASN A 28 -8.370 -10.046 6.446 1.00 50.11 C ATOM 340 OD1 ASN A 28 -9.116 -11.017 6.327 1.00 31.32 O ATOM 341 ND2 ASN A 28 -8.772 -8.894 6.972 1.00 53.32 N ATOM 0 H ASN A 28 -4.535 -10.755 5.496 1.00 63.43 H new ATOM 0 HA ASN A 28 -6.847 -12.195 6.517 1.00 21.45 H new ATOM 0 HB2 ASN A 28 -6.287 -9.658 6.746 1.00 13.31 H new ATOM 0 HB3 ASN A 28 -6.809 -9.526 5.078 1.00 13.31 H new ATOM 0 HD21 ASN A 28 -9.733 -8.789 7.296 1.00 53.32 H new ATOM 0 HD22 ASN A 28 -8.119 -8.114 7.052 1.00 53.32 H new ATOM 348 N THR A 29 -6.431 -11.528 3.305 1.00 51.44 N ATOM 349 CA THR A 29 -6.857 -11.910 1.965 1.00 15.30 C ATOM 350 C THR A 29 -5.926 -11.332 0.906 1.00 2.10 C ATOM 351 O THR A 29 -5.353 -10.255 1.070 1.00 22.33 O ATOM 352 CB THR A 29 -8.297 -11.441 1.678 1.00 3.10 C ATOM 353 OG1 THR A 29 -8.764 -10.611 2.747 1.00 53.33 O ATOM 354 CG2 THR A 29 -9.229 -12.632 1.508 1.00 11.20 C ATOM 0 H THR A 29 -5.669 -10.851 3.328 1.00 51.44 H new ATOM 0 HA THR A 29 -6.821 -12.999 1.921 1.00 15.30 H new ATOM 0 HB THR A 29 -8.292 -10.868 0.751 1.00 3.10 H new ATOM 0 HG1 THR A 29 -9.687 -10.853 2.969 1.00 53.33 H new ATOM 0 HG21 THR A 29 -10.240 -12.277 1.306 1.00 11.20 H new ATOM 0 HG22 THR A 29 -8.887 -13.246 0.675 1.00 11.20 H new ATOM 0 HG23 THR A 29 -9.229 -13.227 2.421 1.00 11.20 H new ATOM 362 N PRO A 30 -5.770 -12.063 -0.208 1.00 51.33 N ATOM 363 CA PRO A 30 -4.910 -11.641 -1.318 1.00 62.12 C ATOM 364 C PRO A 30 -5.477 -10.440 -2.067 1.00 52.31 C ATOM 365 O PRO A 30 -4.786 -9.443 -2.272 1.00 24.10 O ATOM 366 CB PRO A 30 -4.876 -12.870 -2.228 1.00 22.42 C ATOM 367 CG PRO A 30 -6.141 -13.599 -1.928 1.00 2.01 C ATOM 368 CD PRO A 30 -6.423 -13.356 -0.472 1.00 60.24 C ATOM 0 HA PRO A 30 -3.927 -11.322 -0.972 1.00 62.12 H new ATOM 0 HB2 PRO A 30 -4.824 -12.583 -3.278 1.00 22.42 H new ATOM 0 HB3 PRO A 30 -4.003 -13.490 -2.023 1.00 22.42 H new ATOM 0 HG2 PRO A 30 -6.958 -13.234 -2.550 1.00 2.01 H new ATOM 0 HG3 PRO A 30 -6.035 -14.664 -2.133 1.00 2.01 H new ATOM 0 HD2 PRO A 30 -7.494 -13.313 -0.272 1.00 60.24 H new ATOM 0 HD3 PRO A 30 -6.013 -14.148 0.154 1.00 60.24 H new ATOM 376 N GLU A 31 -6.738 -10.541 -2.471 1.00 71.43 N ATOM 377 CA GLU A 31 -7.398 -9.463 -3.198 1.00 41.52 C ATOM 378 C GLU A 31 -7.583 -8.239 -2.305 1.00 35.21 C ATOM 379 O GLU A 31 -7.449 -7.101 -2.755 1.00 11.21 O ATOM 380 CB GLU A 31 -8.754 -9.929 -3.732 1.00 10.34 C ATOM 381 CG GLU A 31 -9.448 -8.903 -4.610 1.00 62.04 C ATOM 382 CD GLU A 31 -8.896 -8.876 -6.022 1.00 72.14 C ATOM 383 OE1 GLU A 31 -9.277 -9.752 -6.826 1.00 22.21 O ATOM 384 OE2 GLU A 31 -8.084 -7.978 -6.324 1.00 5.54 O ATOM 0 H GLU A 31 -7.324 -11.359 -2.307 1.00 71.43 H new ATOM 0 HA GLU A 31 -6.763 -9.186 -4.039 1.00 41.52 H new ATOM 0 HB2 GLU A 31 -8.614 -10.847 -4.302 1.00 10.34 H new ATOM 0 HB3 GLU A 31 -9.402 -10.172 -2.890 1.00 10.34 H new ATOM 0 HG2 GLU A 31 -10.515 -9.122 -4.645 1.00 62.04 H new ATOM 0 HG3 GLU A 31 -9.340 -7.915 -4.163 1.00 62.04 H new ATOM 391 N THR A 32 -7.895 -8.483 -1.036 1.00 11.14 N ATOM 392 CA THR A 32 -8.101 -7.403 -0.079 1.00 21.21 C ATOM 393 C THR A 32 -6.822 -6.600 0.129 1.00 1.14 C ATOM 394 O THR A 32 -6.850 -5.370 0.170 1.00 41.41 O ATOM 395 CB THR A 32 -8.582 -7.942 1.282 1.00 4.12 C ATOM 396 OG1 THR A 32 -9.837 -8.613 1.128 1.00 71.04 O ATOM 397 CG2 THR A 32 -8.723 -6.814 2.292 1.00 52.23 C ATOM 0 H THR A 32 -8.011 -9.419 -0.647 1.00 11.14 H new ATOM 0 HA THR A 32 -8.870 -6.754 -0.497 1.00 21.21 H new ATOM 0 HB THR A 32 -7.838 -8.647 1.652 1.00 4.12 H new ATOM 0 HG1 THR A 32 -9.860 -9.401 1.710 1.00 71.04 H new ATOM 0 HG21 THR A 32 -9.064 -7.219 3.245 1.00 52.23 H new ATOM 0 HG22 THR A 32 -7.758 -6.326 2.429 1.00 52.23 H new ATOM 0 HG23 THR A 32 -9.448 -6.087 1.927 1.00 52.23 H new ATOM 405 N PHE A 33 -5.702 -7.303 0.259 1.00 72.11 N ATOM 406 CA PHE A 33 -4.412 -6.655 0.462 1.00 52.43 C ATOM 407 C PHE A 33 -3.991 -5.878 -0.783 1.00 74.12 C ATOM 408 O PHE A 33 -3.478 -4.762 -0.688 1.00 63.14 O ATOM 409 CB PHE A 33 -3.345 -7.693 0.813 1.00 2.13 C ATOM 410 CG PHE A 33 -2.132 -7.628 -0.069 1.00 63.12 C ATOM 411 CD1 PHE A 33 -1.157 -6.666 0.139 1.00 11.22 C ATOM 412 CD2 PHE A 33 -1.965 -8.530 -1.109 1.00 14.21 C ATOM 413 CE1 PHE A 33 -0.040 -6.603 -0.671 1.00 23.33 C ATOM 414 CE2 PHE A 33 -0.850 -8.473 -1.922 1.00 25.31 C ATOM 415 CZ PHE A 33 0.114 -7.508 -1.704 1.00 2.11 C ATOM 0 H PHE A 33 -5.662 -8.322 0.227 1.00 72.11 H new ATOM 0 HA PHE A 33 -4.513 -5.954 1.290 1.00 52.43 H new ATOM 0 HB2 PHE A 33 -3.039 -7.551 1.849 1.00 2.13 H new ATOM 0 HB3 PHE A 33 -3.782 -8.689 0.743 1.00 2.13 H new ATOM 0 HD1 PHE A 33 -1.272 -5.956 0.945 1.00 11.22 H new ATOM 0 HD2 PHE A 33 -2.716 -9.286 -1.285 1.00 14.21 H new ATOM 0 HE1 PHE A 33 0.712 -5.848 -0.497 1.00 23.33 H new ATOM 0 HE2 PHE A 33 -0.732 -9.182 -2.728 1.00 25.31 H new ATOM 0 HZ PHE A 33 0.986 -7.461 -2.339 1.00 2.11 H new ATOM 425 N LEU A 34 -4.213 -6.476 -1.948 1.00 44.44 N ATOM 426 CA LEU A 34 -3.857 -5.841 -3.213 1.00 10.30 C ATOM 427 C LEU A 34 -4.612 -4.529 -3.395 1.00 71.30 C ATOM 428 O LEU A 34 -4.026 -3.509 -3.756 1.00 2.11 O ATOM 429 CB LEU A 34 -4.157 -6.783 -4.380 1.00 24.01 C ATOM 430 CG LEU A 34 -2.943 -7.307 -5.149 1.00 60.00 C ATOM 431 CD1 LEU A 34 -3.373 -8.320 -6.198 1.00 24.11 C ATOM 432 CD2 LEU A 34 -2.185 -6.157 -5.795 1.00 3.23 C ATOM 0 H LEU A 34 -4.637 -7.399 -2.044 1.00 44.44 H new ATOM 0 HA LEU A 34 -2.789 -5.624 -3.195 1.00 10.30 H new ATOM 0 HB2 LEU A 34 -4.716 -7.637 -3.997 1.00 24.01 H new ATOM 0 HB3 LEU A 34 -4.810 -6.264 -5.081 1.00 24.01 H new ATOM 0 HG LEU A 34 -2.277 -7.805 -4.444 1.00 60.00 H new ATOM 0 HD11 LEU A 34 -2.496 -8.682 -6.735 1.00 24.11 H new ATOM 0 HD12 LEU A 34 -3.872 -9.158 -5.711 1.00 24.11 H new ATOM 0 HD13 LEU A 34 -4.059 -7.847 -6.900 1.00 24.11 H new ATOM 0 HD21 LEU A 34 -1.324 -6.548 -6.338 1.00 3.23 H new ATOM 0 HD22 LEU A 34 -2.843 -5.631 -6.487 1.00 3.23 H new ATOM 0 HD23 LEU A 34 -1.844 -5.467 -5.023 1.00 3.23 H new ATOM 444 N GLU A 35 -5.916 -4.563 -3.142 1.00 52.10 N ATOM 445 CA GLU A 35 -6.753 -3.375 -3.278 1.00 20.34 C ATOM 446 C GLU A 35 -6.480 -2.387 -2.147 1.00 71.34 C ATOM 447 O GLU A 35 -6.355 -1.184 -2.377 1.00 53.32 O ATOM 448 CB GLU A 35 -8.232 -3.764 -3.285 1.00 5.32 C ATOM 449 CG GLU A 35 -8.891 -3.628 -4.648 1.00 44.43 C ATOM 450 CD GLU A 35 -8.710 -2.246 -5.248 1.00 10.34 C ATOM 451 OE1 GLU A 35 -9.016 -1.253 -4.555 1.00 21.41 O ATOM 452 OE2 GLU A 35 -8.261 -2.159 -6.409 1.00 74.24 O ATOM 0 H GLU A 35 -6.417 -5.399 -2.842 1.00 52.10 H new ATOM 0 HA GLU A 35 -6.508 -2.894 -4.225 1.00 20.34 H new ATOM 0 HB2 GLU A 35 -8.329 -4.795 -2.945 1.00 5.32 H new ATOM 0 HB3 GLU A 35 -8.766 -3.140 -2.569 1.00 5.32 H new ATOM 0 HG2 GLU A 35 -8.472 -4.372 -5.326 1.00 44.43 H new ATOM 0 HG3 GLU A 35 -9.955 -3.844 -4.556 1.00 44.43 H new ATOM 459 N ALA A 36 -6.390 -2.903 -0.926 1.00 44.03 N ATOM 460 CA ALA A 36 -6.131 -2.068 0.239 1.00 31.34 C ATOM 461 C ALA A 36 -4.762 -1.403 0.144 1.00 11.23 C ATOM 462 O ALA A 36 -4.539 -0.336 0.715 1.00 53.42 O ATOM 463 CB ALA A 36 -6.232 -2.893 1.514 1.00 41.22 C ATOM 0 H ALA A 36 -6.493 -3.896 -0.718 1.00 44.03 H new ATOM 0 HA ALA A 36 -6.887 -1.283 0.267 1.00 31.34 H new ATOM 0 HB1 ALA A 36 -6.036 -2.256 2.376 1.00 41.22 H new ATOM 0 HB2 ALA A 36 -7.233 -3.316 1.595 1.00 41.22 H new ATOM 0 HB3 ALA A 36 -5.499 -3.699 1.485 1.00 41.22 H new ATOM 469 N SER A 37 -3.847 -2.042 -0.577 1.00 53.52 N ATOM 470 CA SER A 37 -2.498 -1.514 -0.743 1.00 15.35 C ATOM 471 C SER A 37 -2.429 -0.563 -1.933 1.00 23.31 C ATOM 472 O SER A 37 -1.700 0.430 -1.910 1.00 1.44 O ATOM 473 CB SER A 37 -1.499 -2.657 -0.929 1.00 22.24 C ATOM 474 OG SER A 37 -1.782 -3.394 -2.107 1.00 43.41 O ATOM 0 H SER A 37 -4.015 -2.927 -1.056 1.00 53.52 H new ATOM 0 HA SER A 37 -2.239 -0.958 0.158 1.00 15.35 H new ATOM 0 HB2 SER A 37 -0.487 -2.255 -0.982 1.00 22.24 H new ATOM 0 HB3 SER A 37 -1.534 -3.320 -0.064 1.00 22.24 H new ATOM 0 HG SER A 37 -2.435 -4.096 -1.905 1.00 43.41 H new ATOM 480 N LYS A 38 -3.190 -0.874 -2.976 1.00 74.23 N ATOM 481 CA LYS A 38 -3.218 -0.049 -4.178 1.00 35.44 C ATOM 482 C LYS A 38 -3.527 1.405 -3.833 1.00 11.13 C ATOM 483 O LYS A 38 -2.887 2.324 -4.346 1.00 33.03 O ATOM 484 CB LYS A 38 -4.260 -0.582 -5.164 1.00 74.21 C ATOM 485 CG LYS A 38 -3.958 -0.241 -6.612 1.00 23.41 C ATOM 486 CD LYS A 38 -5.214 -0.275 -7.468 1.00 31.01 C ATOM 487 CE LYS A 38 -6.160 0.861 -7.112 1.00 32.41 C ATOM 488 NZ LYS A 38 -7.026 1.243 -8.262 1.00 3.32 N ATOM 0 H LYS A 38 -3.797 -1.693 -3.013 1.00 74.23 H new ATOM 0 HA LYS A 38 -2.232 -0.093 -4.641 1.00 35.44 H new ATOM 0 HB2 LYS A 38 -4.325 -1.665 -5.061 1.00 74.21 H new ATOM 0 HB3 LYS A 38 -5.237 -0.178 -4.901 1.00 74.21 H new ATOM 0 HG2 LYS A 38 -3.506 0.750 -6.667 1.00 23.41 H new ATOM 0 HG3 LYS A 38 -3.228 -0.947 -7.008 1.00 23.41 H new ATOM 0 HD2 LYS A 38 -4.940 -0.206 -8.521 1.00 31.01 H new ATOM 0 HD3 LYS A 38 -5.722 -1.230 -7.333 1.00 31.01 H new ATOM 0 HE2 LYS A 38 -6.785 0.563 -6.270 1.00 32.41 H new ATOM 0 HE3 LYS A 38 -5.582 1.727 -6.789 1.00 32.41 H new ATOM 0 HZ1 LYS A 38 -7.656 2.020 -7.979 1.00 3.32 H new ATOM 0 HZ2 LYS A 38 -6.431 1.552 -9.057 1.00 3.32 H new ATOM 0 HZ3 LYS A 38 -7.596 0.424 -8.554 1.00 3.32 H new ATOM 502 N LEU A 39 -4.509 1.605 -2.961 1.00 45.35 N ATOM 503 CA LEU A 39 -4.900 2.947 -2.546 1.00 54.02 C ATOM 504 C LEU A 39 -3.728 3.685 -1.908 1.00 5.20 C ATOM 505 O LEU A 39 -3.471 4.849 -2.216 1.00 1.24 O ATOM 506 CB LEU A 39 -6.070 2.878 -1.562 1.00 2.51 C ATOM 507 CG LEU A 39 -7.278 2.057 -2.014 1.00 55.50 C ATOM 508 CD1 LEU A 39 -7.816 1.221 -0.863 1.00 21.41 C ATOM 509 CD2 LEU A 39 -8.366 2.970 -2.564 1.00 13.12 C ATOM 0 H LEU A 39 -5.049 0.855 -2.528 1.00 45.35 H new ATOM 0 HA LEU A 39 -5.211 3.497 -3.434 1.00 54.02 H new ATOM 0 HB2 LEU A 39 -5.705 2.463 -0.622 1.00 2.51 H new ATOM 0 HB3 LEU A 39 -6.404 3.894 -1.353 1.00 2.51 H new ATOM 0 HG LEU A 39 -6.959 1.383 -2.809 1.00 55.50 H new ATOM 0 HD11 LEU A 39 -8.675 0.643 -1.203 1.00 21.41 H new ATOM 0 HD12 LEU A 39 -7.039 0.542 -0.512 1.00 21.41 H new ATOM 0 HD13 LEU A 39 -8.120 1.877 -0.048 1.00 21.41 H new ATOM 0 HD21 LEU A 39 -9.219 2.370 -2.881 1.00 13.12 H new ATOM 0 HD22 LEU A 39 -8.682 3.668 -1.788 1.00 13.12 H new ATOM 0 HD23 LEU A 39 -7.977 3.527 -3.416 1.00 13.12 H new ATOM 521 N LEU A 40 -3.017 2.999 -1.020 1.00 23.51 N ATOM 522 CA LEU A 40 -1.869 3.587 -0.339 1.00 3.21 C ATOM 523 C LEU A 40 -0.804 4.018 -1.342 1.00 42.45 C ATOM 524 O LEU A 40 -0.190 5.076 -1.196 1.00 4.32 O ATOM 525 CB LEU A 40 -1.275 2.589 0.656 1.00 4.10 C ATOM 526 CG LEU A 40 -2.279 1.771 1.468 1.00 2.41 C ATOM 527 CD1 LEU A 40 -1.577 1.035 2.599 1.00 21.20 C ATOM 528 CD2 LEU A 40 -3.379 2.669 2.016 1.00 64.35 C ATOM 0 H LEU A 40 -3.216 2.034 -0.755 1.00 23.51 H new ATOM 0 HA LEU A 40 -2.211 4.469 0.202 1.00 3.21 H new ATOM 0 HB2 LEU A 40 -0.633 1.899 0.108 1.00 4.10 H new ATOM 0 HB3 LEU A 40 -0.636 3.135 1.350 1.00 4.10 H new ATOM 0 HG LEU A 40 -2.735 1.032 0.809 1.00 2.41 H new ATOM 0 HD11 LEU A 40 -2.307 0.458 3.166 1.00 21.20 H new ATOM 0 HD12 LEU A 40 -0.826 0.362 2.185 1.00 21.20 H new ATOM 0 HD13 LEU A 40 -1.094 1.756 3.258 1.00 21.20 H new ATOM 0 HD21 LEU A 40 -4.085 2.070 2.591 1.00 64.35 H new ATOM 0 HD22 LEU A 40 -2.940 3.431 2.660 1.00 64.35 H new ATOM 0 HD23 LEU A 40 -3.901 3.150 1.189 1.00 64.35 H new ATOM 540 N LEU A 41 -0.592 3.195 -2.363 1.00 21.41 N ATOM 541 CA LEU A 41 0.397 3.493 -3.392 1.00 3.04 C ATOM 542 C LEU A 41 0.030 4.765 -4.150 1.00 20.42 C ATOM 543 O LEU A 41 0.881 5.618 -4.400 1.00 54.33 O ATOM 544 CB LEU A 41 0.515 2.321 -4.369 1.00 24.34 C ATOM 545 CG LEU A 41 1.746 1.429 -4.203 1.00 2.13 C ATOM 546 CD1 LEU A 41 1.773 0.809 -2.814 1.00 3.43 C ATOM 547 CD2 LEU A 41 1.769 0.346 -5.272 1.00 34.02 C ATOM 0 H LEU A 41 -1.092 2.316 -2.500 1.00 21.41 H new ATOM 0 HA LEU A 41 1.358 3.649 -2.902 1.00 3.04 H new ATOM 0 HB2 LEU A 41 -0.375 1.700 -4.269 1.00 24.34 H new ATOM 0 HB3 LEU A 41 0.514 2.719 -5.384 1.00 24.34 H new ATOM 0 HG LEU A 41 2.636 2.047 -4.321 1.00 2.13 H new ATOM 0 HD11 LEU A 41 2.656 0.178 -2.714 1.00 3.43 H new ATOM 0 HD12 LEU A 41 1.805 1.599 -2.064 1.00 3.43 H new ATOM 0 HD13 LEU A 41 0.877 0.206 -2.667 1.00 3.43 H new ATOM 0 HD21 LEU A 41 2.652 -0.279 -5.138 1.00 34.02 H new ATOM 0 HD22 LEU A 41 0.873 -0.269 -5.186 1.00 34.02 H new ATOM 0 HD23 LEU A 41 1.799 0.809 -6.258 1.00 34.02 H new ATOM 559 N THR A 42 -1.243 4.885 -4.512 1.00 34.33 N ATOM 560 CA THR A 42 -1.725 6.053 -5.239 1.00 11.55 C ATOM 561 C THR A 42 -1.546 7.324 -4.417 1.00 55.53 C ATOM 562 O THR A 42 -1.146 8.363 -4.941 1.00 33.32 O ATOM 563 CB THR A 42 -3.210 5.905 -5.619 1.00 22.52 C ATOM 564 OG1 THR A 42 -3.391 4.749 -6.445 1.00 61.04 O ATOM 565 CG2 THR A 42 -3.706 7.141 -6.352 1.00 54.33 C ATOM 0 H THR A 42 -1.960 4.187 -4.313 1.00 34.33 H new ATOM 0 HA THR A 42 -1.131 6.126 -6.150 1.00 11.55 H new ATOM 0 HB THR A 42 -3.788 5.790 -4.702 1.00 22.52 H new ATOM 0 HG1 THR A 42 -3.243 3.940 -5.912 1.00 61.04 H new ATOM 0 HG21 THR A 42 -4.757 7.013 -6.610 1.00 54.33 H new ATOM 0 HG22 THR A 42 -3.594 8.015 -5.710 1.00 54.33 H new ATOM 0 HG23 THR A 42 -3.123 7.282 -7.262 1.00 54.33 H new ATOM 573 N TYR A 43 -1.847 7.235 -3.126 1.00 23.44 N ATOM 574 CA TYR A 43 -1.721 8.380 -2.230 1.00 63.22 C ATOM 575 C TYR A 43 -0.261 8.794 -2.078 1.00 14.24 C ATOM 576 O TYR A 43 0.064 9.979 -2.087 1.00 55.40 O ATOM 577 CB TYR A 43 -2.316 8.050 -0.861 1.00 33.51 C ATOM 578 CG TYR A 43 -3.813 7.829 -0.888 1.00 23.22 C ATOM 579 CD1 TYR A 43 -4.651 8.698 -1.574 1.00 35.00 C ATOM 580 CD2 TYR A 43 -4.387 6.750 -0.227 1.00 20.13 C ATOM 581 CE1 TYR A 43 -6.018 8.499 -1.601 1.00 12.42 C ATOM 582 CE2 TYR A 43 -5.753 6.542 -0.249 1.00 62.02 C ATOM 583 CZ TYR A 43 -6.564 7.421 -0.938 1.00 1.13 C ATOM 584 OH TYR A 43 -7.924 7.220 -0.963 1.00 73.31 O ATOM 0 H TYR A 43 -2.180 6.382 -2.676 1.00 23.44 H new ATOM 0 HA TYR A 43 -2.272 9.214 -2.666 1.00 63.22 H new ATOM 0 HB2 TYR A 43 -1.832 7.155 -0.470 1.00 33.51 H new ATOM 0 HB3 TYR A 43 -2.090 8.862 -0.170 1.00 33.51 H new ATOM 0 HD1 TYR A 43 -4.227 9.544 -2.095 1.00 35.00 H new ATOM 0 HD2 TYR A 43 -3.754 6.062 0.314 1.00 20.13 H new ATOM 0 HE1 TYR A 43 -6.656 9.185 -2.139 1.00 12.42 H new ATOM 0 HE2 TYR A 43 -6.183 5.698 0.269 1.00 62.02 H new ATOM 0 HH TYR A 43 -8.145 6.416 -0.448 1.00 73.31 H new ATOM 594 N ALA A 44 0.615 7.804 -1.935 1.00 43.20 N ATOM 595 CA ALA A 44 2.042 8.064 -1.782 1.00 71.14 C ATOM 596 C ALA A 44 2.612 8.743 -3.022 1.00 44.31 C ATOM 597 O ALA A 44 3.603 9.472 -2.943 1.00 33.20 O ATOM 598 CB ALA A 44 2.787 6.767 -1.498 1.00 55.43 C ATOM 0 H ALA A 44 0.362 6.816 -1.922 1.00 43.20 H new ATOM 0 HA ALA A 44 2.175 8.739 -0.937 1.00 71.14 H new ATOM 0 HB1 ALA A 44 3.851 6.976 -1.386 1.00 55.43 H new ATOM 0 HB2 ALA A 44 2.406 6.322 -0.579 1.00 55.43 H new ATOM 0 HB3 ALA A 44 2.638 6.073 -2.326 1.00 55.43 H new ATOM 604 N ASP A 45 1.983 8.499 -4.167 1.00 1.01 N ATOM 605 CA ASP A 45 2.429 9.089 -5.424 1.00 43.12 C ATOM 606 C ASP A 45 2.500 10.608 -5.317 1.00 3.44 C ATOM 607 O ASP A 45 3.501 11.220 -5.692 1.00 53.21 O ATOM 608 CB ASP A 45 1.486 8.689 -6.560 1.00 54.15 C ATOM 609 CG ASP A 45 2.231 8.183 -7.779 1.00 64.21 C ATOM 610 OD1 ASP A 45 3.045 7.247 -7.631 1.00 31.01 O ATOM 611 OD2 ASP A 45 2.002 8.722 -8.883 1.00 32.42 O ATOM 0 H ASP A 45 1.164 7.897 -4.250 1.00 1.01 H new ATOM 0 HA ASP A 45 3.429 8.712 -5.640 1.00 43.12 H new ATOM 0 HB2 ASP A 45 0.804 7.915 -6.207 1.00 54.15 H new ATOM 0 HB3 ASP A 45 0.876 9.547 -6.841 1.00 54.15 H new ATOM 616 N ASN A 46 1.435 11.212 -4.803 1.00 31.30 N ATOM 617 CA ASN A 46 1.376 12.661 -4.647 1.00 44.52 C ATOM 618 C ASN A 46 2.445 13.147 -3.673 1.00 12.15 C ATOM 619 O ASN A 46 2.978 14.247 -3.818 1.00 61.35 O ATOM 620 CB ASN A 46 -0.009 13.088 -4.160 1.00 22.03 C ATOM 621 CG ASN A 46 -1.024 13.155 -5.284 1.00 41.22 C ATOM 622 OD1 ASN A 46 -0.777 13.766 -6.322 1.00 44.54 O ATOM 623 ND2 ASN A 46 -2.175 12.522 -5.080 1.00 45.33 N ATOM 0 H ASN A 46 0.599 10.720 -4.487 1.00 31.30 H new ATOM 0 HA ASN A 46 1.565 13.114 -5.620 1.00 44.52 H new ATOM 0 HB2 ASN A 46 -0.357 12.386 -3.402 1.00 22.03 H new ATOM 0 HB3 ASN A 46 0.063 14.064 -3.681 1.00 22.03 H new ATOM 0 HD21 ASN A 46 -2.897 12.531 -5.801 1.00 45.33 H new ATOM 0 HD22 ASN A 46 -2.337 12.027 -4.203 1.00 45.33 H new ATOM 630 N ILE A 47 2.752 12.319 -2.680 1.00 30.30 N ATOM 631 CA ILE A 47 3.756 12.664 -1.681 1.00 40.30 C ATOM 632 C ILE A 47 5.130 12.834 -2.321 1.00 3.12 C ATOM 633 O ILE A 47 5.835 13.809 -2.056 1.00 31.32 O ATOM 634 CB ILE A 47 3.845 11.592 -0.579 1.00 52.43 C ATOM 635 CG1 ILE A 47 2.445 11.220 -0.084 1.00 2.44 C ATOM 636 CG2 ILE A 47 4.706 12.088 0.573 1.00 61.33 C ATOM 637 CD1 ILE A 47 1.642 12.407 0.402 1.00 41.12 C ATOM 0 H ILE A 47 2.320 11.405 -2.546 1.00 30.30 H new ATOM 0 HA ILE A 47 3.446 13.608 -1.233 1.00 40.30 H new ATOM 0 HB ILE A 47 4.311 10.699 -0.997 1.00 52.43 H new ATOM 0 HG12 ILE A 47 1.901 10.729 -0.891 1.00 2.44 H new ATOM 0 HG13 ILE A 47 2.535 10.496 0.726 1.00 2.44 H new ATOM 0 HG21 ILE A 47 4.760 11.320 1.344 1.00 61.33 H new ATOM 0 HG22 ILE A 47 5.710 12.307 0.209 1.00 61.33 H new ATOM 0 HG23 ILE A 47 4.266 12.993 0.992 1.00 61.33 H new ATOM 0 HD11 ILE A 47 0.661 12.070 0.738 1.00 41.12 H new ATOM 0 HD12 ILE A 47 2.165 12.885 1.230 1.00 41.12 H new ATOM 0 HD13 ILE A 47 1.521 13.122 -0.412 1.00 41.12 H new ATOM 649 N LEU A 48 5.505 11.881 -3.168 1.00 10.23 N ATOM 650 CA LEU A 48 6.794 11.925 -3.847 1.00 3.31 C ATOM 651 C LEU A 48 6.832 13.056 -4.871 1.00 32.51 C ATOM 652 O LEU A 48 7.882 13.647 -5.119 1.00 44.14 O ATOM 653 CB LEU A 48 7.078 10.589 -4.536 1.00 32.31 C ATOM 654 CG LEU A 48 6.810 9.335 -3.703 1.00 32.14 C ATOM 655 CD1 LEU A 48 5.917 8.368 -4.464 1.00 41.42 C ATOM 656 CD2 LEU A 48 8.118 8.663 -3.315 1.00 25.52 C ATOM 0 H LEU A 48 4.934 11.069 -3.400 1.00 10.23 H new ATOM 0 HA LEU A 48 7.564 12.111 -3.098 1.00 3.31 H new ATOM 0 HB2 LEU A 48 6.475 10.535 -5.442 1.00 32.31 H new ATOM 0 HB3 LEU A 48 8.123 10.578 -4.847 1.00 32.31 H new ATOM 0 HG LEU A 48 6.293 9.633 -2.791 1.00 32.14 H new ATOM 0 HD11 LEU A 48 5.738 7.482 -3.855 1.00 41.42 H new ATOM 0 HD12 LEU A 48 4.967 8.851 -4.690 1.00 41.42 H new ATOM 0 HD13 LEU A 48 6.406 8.076 -5.394 1.00 41.42 H new ATOM 0 HD21 LEU A 48 7.908 7.772 -2.723 1.00 25.52 H new ATOM 0 HD22 LEU A 48 8.663 8.380 -4.216 1.00 25.52 H new ATOM 0 HD23 LEU A 48 8.722 9.355 -2.728 1.00 25.52 H new ATOM 668 N ARG A 49 5.678 13.350 -5.461 1.00 32.11 N ATOM 669 CA ARG A 49 5.578 14.410 -6.457 1.00 73.23 C ATOM 670 C ARG A 49 5.857 15.773 -5.830 1.00 13.31 C ATOM 671 O ARG A 49 6.594 16.585 -6.389 1.00 74.41 O ATOM 672 CB ARG A 49 4.189 14.407 -7.099 1.00 14.34 C ATOM 673 CG ARG A 49 3.862 13.119 -7.837 1.00 31.32 C ATOM 674 CD ARG A 49 3.946 13.304 -9.343 1.00 64.24 C ATOM 675 NE ARG A 49 5.159 14.012 -9.742 1.00 3.24 N ATOM 676 CZ ARG A 49 5.295 14.641 -10.904 1.00 50.22 C ATOM 677 NH1 ARG A 49 4.298 14.650 -11.776 1.00 61.44 N ATOM 678 NH2 ARG A 49 6.431 15.264 -11.194 1.00 35.11 N ATOM 0 H ARG A 49 4.800 12.869 -5.267 1.00 32.11 H new ATOM 0 HA ARG A 49 6.327 14.223 -7.227 1.00 73.23 H new ATOM 0 HB2 ARG A 49 3.440 14.572 -6.325 1.00 14.34 H new ATOM 0 HB3 ARG A 49 4.118 15.243 -7.795 1.00 14.34 H new ATOM 0 HG2 ARG A 49 4.553 12.335 -7.526 1.00 31.32 H new ATOM 0 HG3 ARG A 49 2.860 12.787 -7.565 1.00 31.32 H new ATOM 0 HD2 ARG A 49 3.919 12.329 -9.830 1.00 64.24 H new ATOM 0 HD3 ARG A 49 3.073 13.857 -9.689 1.00 64.24 H new ATOM 0 HE ARG A 49 5.945 14.024 -9.093 1.00 3.24 H new ATOM 0 HH11 ARG A 49 3.424 14.173 -11.556 1.00 61.44 H new ATOM 0 HH12 ARG A 49 4.405 15.134 -12.668 1.00 61.44 H new ATOM 0 HH21 ARG A 49 7.200 15.260 -10.524 1.00 35.11 H new ATOM 0 HH22 ARG A 49 6.534 15.747 -12.087 1.00 35.11 H new ATOM 692 N ASN A 50 5.263 16.016 -4.667 1.00 54.42 N ATOM 693 CA ASN A 50 5.447 17.283 -3.965 1.00 22.54 C ATOM 694 C ASN A 50 5.508 17.063 -2.456 1.00 64.33 C ATOM 695 O ASN A 50 4.616 17.465 -1.708 1.00 44.11 O ATOM 696 CB ASN A 50 4.310 18.248 -4.305 1.00 2.02 C ATOM 697 CG ASN A 50 4.003 18.279 -5.789 1.00 71.45 C ATOM 698 OD1 ASN A 50 4.473 19.156 -6.514 1.00 54.52 O ATOM 699 ND2 ASN A 50 3.211 17.317 -6.250 1.00 55.12 N ATOM 0 H ASN A 50 4.651 15.354 -4.190 1.00 54.42 H new ATOM 0 HA ASN A 50 6.392 17.717 -4.291 1.00 22.54 H new ATOM 0 HB2 ASN A 50 3.414 17.957 -3.757 1.00 2.02 H new ATOM 0 HB3 ASN A 50 4.576 19.251 -3.971 1.00 2.02 H new ATOM 0 HD21 ASN A 50 2.970 17.285 -7.241 1.00 55.12 H new ATOM 0 HD22 ASN A 50 2.844 16.610 -5.613 1.00 55.12 H new ATOM 706 N PRO A 51 6.586 16.410 -1.997 1.00 21.35 N ATOM 707 CA PRO A 51 6.791 16.123 -0.574 1.00 34.40 C ATOM 708 C PRO A 51 7.087 17.383 0.235 1.00 1.05 C ATOM 709 O PRO A 51 6.749 17.467 1.416 1.00 32.13 O ATOM 710 CB PRO A 51 8.003 15.188 -0.570 1.00 41.10 C ATOM 711 CG PRO A 51 8.737 15.516 -1.824 1.00 12.42 C ATOM 712 CD PRO A 51 7.688 15.902 -2.829 1.00 24.51 C ATOM 0 HA PRO A 51 5.902 15.692 -0.114 1.00 34.40 H new ATOM 0 HB2 PRO A 51 8.627 15.352 0.309 1.00 41.10 H new ATOM 0 HB3 PRO A 51 7.696 14.142 -0.552 1.00 41.10 H new ATOM 0 HG2 PRO A 51 9.441 16.332 -1.662 1.00 12.42 H new ATOM 0 HG3 PRO A 51 9.315 14.660 -2.173 1.00 12.42 H new ATOM 0 HD2 PRO A 51 8.054 16.663 -3.519 1.00 24.51 H new ATOM 0 HD3 PRO A 51 7.376 15.049 -3.431 1.00 24.51 H new ATOM 720 N SER A 52 7.720 18.358 -0.409 1.00 30.22 N ATOM 721 CA SER A 52 8.065 19.611 0.251 1.00 54.12 C ATOM 722 C SER A 52 6.837 20.508 0.389 1.00 30.23 C ATOM 723 O SER A 52 6.736 21.300 1.327 1.00 52.14 O ATOM 724 CB SER A 52 9.157 20.341 -0.533 1.00 35.04 C ATOM 725 OG SER A 52 10.367 20.389 0.206 1.00 53.44 O ATOM 0 H SER A 52 8.004 18.304 -1.387 1.00 30.22 H new ATOM 0 HA SER A 52 8.438 19.377 1.248 1.00 54.12 H new ATOM 0 HB2 SER A 52 9.327 19.835 -1.484 1.00 35.04 H new ATOM 0 HB3 SER A 52 8.828 21.354 -0.765 1.00 35.04 H new ATOM 0 HG SER A 52 11.051 20.859 -0.316 1.00 53.44 H new ATOM 731 N ASP A 53 5.908 20.378 -0.551 1.00 22.04 N ATOM 732 CA ASP A 53 4.686 21.174 -0.535 1.00 24.12 C ATOM 733 C ASP A 53 3.796 20.779 0.639 1.00 4.33 C ATOM 734 O ASP A 53 3.168 19.721 0.626 1.00 51.22 O ATOM 735 CB ASP A 53 3.924 21.003 -1.850 1.00 12.24 C ATOM 736 CG ASP A 53 4.531 21.809 -2.980 1.00 74.45 C ATOM 737 OD1 ASP A 53 5.743 21.653 -3.235 1.00 54.13 O ATOM 738 OD2 ASP A 53 3.795 22.598 -3.609 1.00 12.10 O ATOM 0 H ASP A 53 5.978 19.729 -1.334 1.00 22.04 H new ATOM 0 HA ASP A 53 4.965 22.221 -0.420 1.00 24.12 H new ATOM 0 HB2 ASP A 53 3.913 19.948 -2.125 1.00 12.24 H new ATOM 0 HB3 ASP A 53 2.887 21.307 -1.708 1.00 12.24 H new ATOM 743 N GLU A 54 3.749 21.638 1.654 1.00 73.32 N ATOM 744 CA GLU A 54 2.936 21.378 2.837 1.00 32.15 C ATOM 745 C GLU A 54 1.485 21.107 2.451 1.00 54.02 C ATOM 746 O GLU A 54 0.793 20.324 3.101 1.00 12.24 O ATOM 747 CB GLU A 54 3.007 22.562 3.802 1.00 24.22 C ATOM 748 CG GLU A 54 3.983 22.357 4.949 1.00 25.31 C ATOM 749 CD GLU A 54 4.224 23.623 5.745 1.00 14.21 C ATOM 750 OE1 GLU A 54 3.311 24.037 6.490 1.00 75.04 O ATOM 751 OE2 GLU A 54 5.324 24.201 5.625 1.00 62.21 O ATOM 0 H GLU A 54 4.264 22.518 1.680 1.00 73.32 H new ATOM 0 HA GLU A 54 3.333 20.492 3.332 1.00 32.15 H new ATOM 0 HB2 GLU A 54 3.295 23.455 3.247 1.00 24.22 H new ATOM 0 HB3 GLU A 54 2.013 22.747 4.210 1.00 24.22 H new ATOM 0 HG2 GLU A 54 3.599 21.583 5.613 1.00 25.31 H new ATOM 0 HG3 GLU A 54 4.932 21.996 4.553 1.00 25.31 H new ATOM 758 N LYS A 55 1.029 21.763 1.388 1.00 50.01 N ATOM 759 CA LYS A 55 -0.340 21.595 0.915 1.00 44.22 C ATOM 760 C LYS A 55 -0.526 20.227 0.265 1.00 45.21 C ATOM 761 O LYS A 55 -1.620 19.662 0.288 1.00 32.42 O ATOM 762 CB LYS A 55 -0.694 22.698 -0.086 1.00 64.00 C ATOM 763 CG LYS A 55 0.226 22.741 -1.294 1.00 60.42 C ATOM 764 CD LYS A 55 -0.243 21.793 -2.386 1.00 15.51 C ATOM 765 CE LYS A 55 -0.239 22.469 -3.749 1.00 21.10 C ATOM 766 NZ LYS A 55 -1.175 21.805 -4.699 1.00 71.30 N ATOM 0 H LYS A 55 1.588 22.416 0.838 1.00 50.01 H new ATOM 0 HA LYS A 55 -1.007 21.664 1.775 1.00 44.22 H new ATOM 0 HB2 LYS A 55 -1.720 22.553 -0.426 1.00 64.00 H new ATOM 0 HB3 LYS A 55 -0.659 23.662 0.421 1.00 64.00 H new ATOM 0 HG2 LYS A 55 0.266 23.757 -1.686 1.00 60.42 H new ATOM 0 HG3 LYS A 55 1.239 22.476 -0.991 1.00 60.42 H new ATOM 0 HD2 LYS A 55 0.404 20.916 -2.411 1.00 15.51 H new ATOM 0 HD3 LYS A 55 -1.248 21.440 -2.156 1.00 15.51 H new ATOM 0 HE2 LYS A 55 -0.518 23.516 -3.636 1.00 21.10 H new ATOM 0 HE3 LYS A 55 0.770 22.451 -4.161 1.00 21.10 H new ATOM 0 HZ1 LYS A 55 -1.144 22.294 -5.616 1.00 71.30 H new ATOM 0 HZ2 LYS A 55 -0.894 20.812 -4.827 1.00 71.30 H new ATOM 0 HZ3 LYS A 55 -2.142 21.845 -4.318 1.00 71.30 H new ATOM 780 N TYR A 56 0.547 19.700 -0.313 1.00 4.32 N ATOM 781 CA TYR A 56 0.502 18.398 -0.968 1.00 4.21 C ATOM 782 C TYR A 56 0.921 17.289 -0.008 1.00 73.33 C ATOM 783 O TYR A 56 1.132 16.146 -0.415 1.00 31.20 O ATOM 784 CB TYR A 56 1.409 18.391 -2.199 1.00 44.11 C ATOM 785 CG TYR A 56 0.720 17.913 -3.458 1.00 34.35 C ATOM 786 CD1 TYR A 56 -0.128 16.812 -3.433 1.00 32.15 C ATOM 787 CD2 TYR A 56 0.916 18.561 -4.670 1.00 52.02 C ATOM 788 CE1 TYR A 56 -0.759 16.371 -4.580 1.00 0.04 C ATOM 789 CE2 TYR A 56 0.288 18.128 -5.821 1.00 41.13 C ATOM 790 CZ TYR A 56 -0.548 17.032 -5.772 1.00 33.04 C ATOM 791 OH TYR A 56 -1.176 16.597 -6.916 1.00 2.32 O ATOM 0 H TYR A 56 1.460 20.155 -0.341 1.00 4.32 H new ATOM 0 HA TYR A 56 -0.526 18.214 -1.281 1.00 4.21 H new ATOM 0 HB2 TYR A 56 1.791 19.399 -2.364 1.00 44.11 H new ATOM 0 HB3 TYR A 56 2.270 17.752 -2.002 1.00 44.11 H new ATOM 0 HD1 TYR A 56 -0.296 16.293 -2.501 1.00 32.15 H new ATOM 0 HD2 TYR A 56 1.571 19.419 -4.713 1.00 52.02 H new ATOM 0 HE1 TYR A 56 -1.414 15.513 -4.544 1.00 0.04 H new ATOM 0 HE2 TYR A 56 0.451 18.645 -6.755 1.00 41.13 H new ATOM 0 HH TYR A 56 -1.166 15.617 -6.942 1.00 2.32 H new ATOM 801 N ARG A 57 1.038 17.635 1.270 1.00 34.45 N ATOM 802 CA ARG A 57 1.431 16.669 2.289 1.00 61.01 C ATOM 803 C ARG A 57 0.211 15.964 2.871 1.00 14.30 C ATOM 804 O ARG A 57 0.311 15.244 3.865 1.00 50.43 O ATOM 805 CB ARG A 57 2.212 17.365 3.407 1.00 23.31 C ATOM 806 CG ARG A 57 3.651 17.686 3.036 1.00 62.43 C ATOM 807 CD ARG A 57 4.598 16.579 3.471 1.00 2.12 C ATOM 808 NE ARG A 57 5.812 17.107 4.090 1.00 74.24 N ATOM 809 CZ ARG A 57 6.869 16.362 4.389 1.00 0.14 C ATOM 810 NH1 ARG A 57 6.863 15.063 4.126 1.00 52.22 N ATOM 811 NH2 ARG A 57 7.935 16.916 4.951 1.00 41.14 N ATOM 0 H ARG A 57 0.866 18.576 1.624 1.00 34.45 H new ATOM 0 HA ARG A 57 2.070 15.922 1.818 1.00 61.01 H new ATOM 0 HB2 ARG A 57 1.700 18.289 3.675 1.00 23.31 H new ATOM 0 HB3 ARG A 57 2.207 16.729 4.292 1.00 23.31 H new ATOM 0 HG2 ARG A 57 3.727 17.829 1.958 1.00 62.43 H new ATOM 0 HG3 ARG A 57 3.948 18.625 3.503 1.00 62.43 H new ATOM 0 HD2 ARG A 57 4.088 15.922 4.176 1.00 2.12 H new ATOM 0 HD3 ARG A 57 4.867 15.972 2.607 1.00 2.12 H new ATOM 0 HE ARG A 57 5.849 18.104 4.304 1.00 74.24 H new ATOM 0 HH11 ARG A 57 6.045 14.634 3.693 1.00 52.22 H new ATOM 0 HH12 ARG A 57 7.676 14.492 4.357 1.00 52.22 H new ATOM 0 HH21 ARG A 57 7.943 17.916 5.154 1.00 41.14 H new ATOM 0 HH22 ARG A 57 8.747 16.342 5.180 1.00 41.14 H new ATOM 825 N SER A 58 -0.943 16.178 2.246 1.00 32.52 N ATOM 826 CA SER A 58 -2.185 15.564 2.704 1.00 40.22 C ATOM 827 C SER A 58 -2.844 14.769 1.582 1.00 70.40 C ATOM 828 O SER A 58 -2.581 15.002 0.402 1.00 63.10 O ATOM 829 CB SER A 58 -3.147 16.638 3.216 1.00 31.24 C ATOM 830 OG SER A 58 -4.495 16.273 2.971 1.00 50.33 O ATOM 0 H SER A 58 -1.044 16.771 1.422 1.00 32.52 H new ATOM 0 HA SER A 58 -1.946 14.879 3.518 1.00 40.22 H new ATOM 0 HB2 SER A 58 -2.996 16.787 4.285 1.00 31.24 H new ATOM 0 HB3 SER A 58 -2.930 17.588 2.728 1.00 31.24 H new ATOM 0 HG SER A 58 -5.090 16.974 3.309 1.00 50.33 H new ATOM 836 N ILE A 59 -3.701 13.826 1.960 1.00 63.45 N ATOM 837 CA ILE A 59 -4.399 12.994 0.986 1.00 40.32 C ATOM 838 C ILE A 59 -5.893 12.938 1.284 1.00 61.44 C ATOM 839 O ILE A 59 -6.315 12.383 2.299 1.00 4.14 O ATOM 840 CB ILE A 59 -3.836 11.560 0.965 1.00 42.15 C ATOM 841 CG1 ILE A 59 -3.497 11.101 2.383 1.00 70.11 C ATOM 842 CG2 ILE A 59 -2.607 11.487 0.070 1.00 53.23 C ATOM 843 CD1 ILE A 59 -3.203 9.620 2.485 1.00 75.25 C ATOM 0 H ILE A 59 -3.929 13.619 2.932 1.00 63.45 H new ATOM 0 HA ILE A 59 -4.242 13.451 0.009 1.00 40.32 H new ATOM 0 HB ILE A 59 -4.597 10.893 0.560 1.00 42.15 H new ATOM 0 HG12 ILE A 59 -2.632 11.660 2.740 1.00 70.11 H new ATOM 0 HG13 ILE A 59 -4.329 11.344 3.044 1.00 70.11 H new ATOM 0 HG21 ILE A 59 -2.220 10.468 0.065 1.00 53.23 H new ATOM 0 HG22 ILE A 59 -2.878 11.777 -0.945 1.00 53.23 H new ATOM 0 HG23 ILE A 59 -1.841 12.164 0.448 1.00 53.23 H new ATOM 0 HD11 ILE A 59 -2.971 9.366 3.519 1.00 75.25 H new ATOM 0 HD12 ILE A 59 -4.075 9.053 2.159 1.00 75.25 H new ATOM 0 HD13 ILE A 59 -2.352 9.374 1.851 1.00 75.25 H new ATOM 855 N ARG A 60 -6.691 13.513 0.389 1.00 63.33 N ATOM 856 CA ARG A 60 -8.139 13.527 0.553 1.00 14.45 C ATOM 857 C ARG A 60 -8.755 12.219 0.066 1.00 43.00 C ATOM 858 O ARG A 60 -8.331 11.661 -0.946 1.00 32.01 O ATOM 859 CB ARG A 60 -8.749 14.705 -0.208 1.00 11.45 C ATOM 860 CG ARG A 60 -8.689 14.551 -1.718 1.00 33.32 C ATOM 861 CD ARG A 60 -8.076 15.776 -2.379 1.00 41.22 C ATOM 862 NE ARG A 60 -8.665 17.017 -1.887 1.00 0.21 N ATOM 863 CZ ARG A 60 -9.839 17.486 -2.298 1.00 0.44 C ATOM 864 NH1 ARG A 60 -10.543 16.820 -3.202 1.00 54.30 N ATOM 865 NH2 ARG A 60 -10.309 18.623 -1.803 1.00 14.43 N ATOM 0 H ARG A 60 -6.358 13.975 -0.457 1.00 63.33 H new ATOM 0 HA ARG A 60 -8.357 13.638 1.615 1.00 14.45 H new ATOM 0 HB2 ARG A 60 -9.789 14.823 0.096 1.00 11.45 H new ATOM 0 HB3 ARG A 60 -8.228 15.619 0.076 1.00 11.45 H new ATOM 0 HG2 ARG A 60 -8.103 13.668 -1.972 1.00 33.32 H new ATOM 0 HG3 ARG A 60 -9.694 14.390 -2.109 1.00 33.32 H new ATOM 0 HD2 ARG A 60 -7.002 15.787 -2.195 1.00 41.22 H new ATOM 0 HD3 ARG A 60 -8.214 15.712 -3.458 1.00 41.22 H new ATOM 0 HE ARG A 60 -8.148 17.553 -1.190 1.00 0.21 H new ATOM 0 HH11 ARG A 60 -10.184 15.945 -3.584 1.00 54.30 H new ATOM 0 HH12 ARG A 60 -11.443 17.182 -3.515 1.00 54.30 H new ATOM 0 HH21 ARG A 60 -9.770 19.138 -1.107 1.00 14.43 H new ATOM 0 HH22 ARG A 60 -11.210 18.983 -2.118 1.00 14.43 H new ATOM 879 N ILE A 61 -9.757 11.736 0.793 1.00 53.04 N ATOM 880 CA ILE A 61 -10.431 10.495 0.434 1.00 71.35 C ATOM 881 C ILE A 61 -11.171 10.636 -0.892 1.00 33.31 C ATOM 882 O ILE A 61 -10.738 10.109 -1.916 1.00 74.42 O ATOM 883 CB ILE A 61 -11.430 10.061 1.523 1.00 2.44 C ATOM 884 CG1 ILE A 61 -10.704 9.840 2.852 1.00 73.12 C ATOM 885 CG2 ILE A 61 -12.163 8.797 1.097 1.00 0.11 C ATOM 886 CD1 ILE A 61 -11.638 9.603 4.019 1.00 43.11 C ATOM 0 H ILE A 61 -10.120 12.185 1.634 1.00 53.04 H new ATOM 0 HA ILE A 61 -9.658 9.732 0.337 1.00 71.35 H new ATOM 0 HB ILE A 61 -12.165 10.855 1.659 1.00 2.44 H new ATOM 0 HG12 ILE A 61 -10.035 8.985 2.753 1.00 73.12 H new ATOM 0 HG13 ILE A 61 -10.082 10.709 3.066 1.00 73.12 H new ATOM 0 HG21 ILE A 61 -12.865 8.503 1.877 1.00 0.11 H new ATOM 0 HG22 ILE A 61 -12.707 8.986 0.172 1.00 0.11 H new ATOM 0 HG23 ILE A 61 -11.442 7.995 0.937 1.00 0.11 H new ATOM 0 HD11 ILE A 61 -11.055 9.454 4.928 1.00 43.11 H new ATOM 0 HD12 ILE A 61 -12.290 10.467 4.144 1.00 43.11 H new ATOM 0 HD13 ILE A 61 -12.243 8.717 3.827 1.00 43.11 H new ATOM 898 N GLY A 62 -12.293 11.351 -0.865 1.00 22.22 N ATOM 899 CA GLY A 62 -13.075 11.550 -2.071 1.00 2.42 C ATOM 900 C GLY A 62 -13.856 10.312 -2.465 1.00 75.14 C ATOM 901 O GLY A 62 -13.985 10.003 -3.648 1.00 75.13 O ATOM 0 H GLY A 62 -12.673 11.795 -0.029 1.00 22.22 H new ATOM 0 HA2 GLY A 62 -13.766 12.379 -1.920 1.00 2.42 H new ATOM 0 HA3 GLY A 62 -12.412 11.833 -2.888 1.00 2.42 H new ATOM 905 N ASN A 63 -14.377 9.601 -1.471 1.00 64.31 N ATOM 906 CA ASN A 63 -15.148 8.388 -1.721 1.00 53.22 C ATOM 907 C ASN A 63 -15.593 7.748 -0.409 1.00 10.03 C ATOM 908 O ASN A 63 -14.797 7.582 0.517 1.00 72.43 O ATOM 909 CB ASN A 63 -14.320 7.391 -2.533 1.00 42.44 C ATOM 910 CG ASN A 63 -12.842 7.462 -2.203 1.00 41.53 C ATOM 911 OD1 ASN A 63 -12.073 8.132 -2.894 1.00 2.30 O ATOM 912 ND2 ASN A 63 -12.438 6.772 -1.145 1.00 64.42 N ATOM 0 H ASN A 63 -14.280 9.843 -0.485 1.00 64.31 H new ATOM 0 HA ASN A 63 -16.036 8.662 -2.291 1.00 53.22 H new ATOM 0 HB2 ASN A 63 -14.684 6.381 -2.343 1.00 42.44 H new ATOM 0 HB3 ASN A 63 -14.462 7.586 -3.596 1.00 42.44 H new ATOM 0 HD21 ASN A 63 -11.455 6.782 -0.874 1.00 64.42 H new ATOM 0 HD22 ASN A 63 -13.111 6.231 -0.602 1.00 64.42 H new ATOM 919 N THR A 64 -16.871 7.387 -0.336 1.00 14.41 N ATOM 920 CA THR A 64 -17.423 6.765 0.861 1.00 61.25 C ATOM 921 C THR A 64 -16.924 5.333 1.015 1.00 14.22 C ATOM 922 O THR A 64 -17.013 4.748 2.094 1.00 32.01 O ATOM 923 CB THR A 64 -18.963 6.761 0.833 1.00 44.25 C ATOM 924 OG1 THR A 64 -19.436 7.619 -0.212 1.00 44.11 O ATOM 925 CG2 THR A 64 -19.530 7.218 2.168 1.00 43.33 C ATOM 0 H THR A 64 -17.543 7.515 -1.093 1.00 14.41 H new ATOM 0 HA THR A 64 -17.085 7.358 1.711 1.00 61.25 H new ATOM 0 HB THR A 64 -19.299 5.741 0.645 1.00 44.25 H new ATOM 0 HG1 THR A 64 -20.416 7.610 -0.224 1.00 44.11 H new ATOM 0 HG21 THR A 64 -20.619 7.207 2.124 1.00 43.33 H new ATOM 0 HG22 THR A 64 -19.192 6.545 2.956 1.00 43.33 H new ATOM 0 HG23 THR A 64 -19.186 8.230 2.382 1.00 43.33 H new ATOM 933 N ALA A 65 -16.400 4.774 -0.070 1.00 32.14 N ATOM 934 CA ALA A 65 -15.885 3.411 -0.054 1.00 21.32 C ATOM 935 C ALA A 65 -14.783 3.253 0.987 1.00 31.35 C ATOM 936 O ALA A 65 -14.625 2.187 1.583 1.00 63.42 O ATOM 937 CB ALA A 65 -15.371 3.023 -1.432 1.00 63.44 C ATOM 0 H ALA A 65 -16.321 5.244 -0.972 1.00 32.14 H new ATOM 0 HA ALA A 65 -16.703 2.744 0.217 1.00 21.32 H new ATOM 0 HB1 ALA A 65 -14.990 2.002 -1.404 1.00 63.44 H new ATOM 0 HB2 ALA A 65 -16.184 3.087 -2.155 1.00 63.44 H new ATOM 0 HB3 ALA A 65 -14.570 3.702 -1.726 1.00 63.44 H new ATOM 943 N PHE A 66 -14.021 4.320 1.202 1.00 72.11 N ATOM 944 CA PHE A 66 -12.931 4.300 2.171 1.00 35.14 C ATOM 945 C PHE A 66 -13.450 3.960 3.566 1.00 24.24 C ATOM 946 O PHE A 66 -12.883 3.117 4.262 1.00 74.11 O ATOM 947 CB PHE A 66 -12.216 5.653 2.196 1.00 31.52 C ATOM 948 CG PHE A 66 -11.309 5.829 3.379 1.00 23.21 C ATOM 949 CD1 PHE A 66 -11.803 6.296 4.586 1.00 21.14 C ATOM 950 CD2 PHE A 66 -9.958 5.528 3.283 1.00 34.13 C ATOM 951 CE1 PHE A 66 -10.970 6.458 5.676 1.00 4.40 C ATOM 952 CE2 PHE A 66 -9.120 5.689 4.371 1.00 71.15 C ATOM 953 CZ PHE A 66 -9.627 6.156 5.569 1.00 22.11 C ATOM 0 H PHE A 66 -14.138 5.210 0.718 1.00 72.11 H new ATOM 0 HA PHE A 66 -12.223 3.529 1.868 1.00 35.14 H new ATOM 0 HB2 PHE A 66 -11.633 5.764 1.282 1.00 31.52 H new ATOM 0 HB3 PHE A 66 -12.961 6.449 2.198 1.00 31.52 H new ATOM 0 HD1 PHE A 66 -12.852 6.536 4.676 1.00 21.14 H new ATOM 0 HD2 PHE A 66 -9.557 5.164 2.349 1.00 34.13 H new ATOM 0 HE1 PHE A 66 -11.369 6.821 6.612 1.00 4.40 H new ATOM 0 HE2 PHE A 66 -8.070 5.450 4.285 1.00 71.15 H new ATOM 0 HZ PHE A 66 -8.974 6.284 6.420 1.00 22.11 H new ATOM 963 N SER A 67 -14.529 4.623 3.967 1.00 61.00 N ATOM 964 CA SER A 67 -15.123 4.395 5.279 1.00 2.34 C ATOM 965 C SER A 67 -15.833 3.046 5.328 1.00 54.40 C ATOM 966 O SER A 67 -16.058 2.488 6.402 1.00 22.40 O ATOM 967 CB SER A 67 -16.108 5.516 5.619 1.00 44.10 C ATOM 968 OG SER A 67 -16.580 5.394 6.948 1.00 54.41 O ATOM 0 H SER A 67 -15.010 5.323 3.402 1.00 61.00 H new ATOM 0 HA SER A 67 -14.321 4.390 6.017 1.00 2.34 H new ATOM 0 HB2 SER A 67 -15.622 6.483 5.490 1.00 44.10 H new ATOM 0 HB3 SER A 67 -16.950 5.487 4.927 1.00 44.10 H new ATOM 0 HG SER A 67 -17.206 6.123 7.141 1.00 54.41 H new ATOM 974 N THR A 68 -16.184 2.526 4.157 1.00 61.34 N ATOM 975 CA THR A 68 -16.869 1.243 4.063 1.00 71.03 C ATOM 976 C THR A 68 -15.877 0.087 4.075 1.00 0.13 C ATOM 977 O THR A 68 -16.183 -1.002 4.562 1.00 45.54 O ATOM 978 CB THR A 68 -17.727 1.156 2.787 1.00 43.02 C ATOM 979 OG1 THR A 68 -16.884 1.005 1.640 1.00 42.14 O ATOM 980 CG2 THR A 68 -18.589 2.399 2.628 1.00 75.13 C ATOM 0 H THR A 68 -16.005 2.974 3.259 1.00 61.34 H new ATOM 0 HA THR A 68 -17.519 1.168 4.935 1.00 71.03 H new ATOM 0 HB THR A 68 -18.381 0.288 2.874 1.00 43.02 H new ATOM 0 HG1 THR A 68 -16.015 1.424 1.815 1.00 42.14 H new ATOM 0 HG21 THR A 68 -19.186 2.314 1.720 1.00 75.13 H new ATOM 0 HG22 THR A 68 -19.250 2.496 3.489 1.00 75.13 H new ATOM 0 HG23 THR A 68 -17.949 3.279 2.561 1.00 75.13 H new ATOM 988 N ARG A 69 -14.686 0.330 3.537 1.00 41.25 N ATOM 989 CA ARG A 69 -13.647 -0.692 3.486 1.00 72.23 C ATOM 990 C ARG A 69 -12.268 -0.058 3.327 1.00 74.51 C ATOM 991 O ARG A 69 -11.761 0.078 2.212 1.00 20.14 O ATOM 992 CB ARG A 69 -13.911 -1.660 2.330 1.00 54.42 C ATOM 993 CG ARG A 69 -13.062 -2.918 2.383 1.00 33.05 C ATOM 994 CD ARG A 69 -11.782 -2.762 1.578 1.00 3.51 C ATOM 995 NE ARG A 69 -11.505 -3.936 0.755 1.00 74.41 N ATOM 996 CZ ARG A 69 -12.200 -4.252 -0.333 1.00 2.31 C ATOM 997 NH1 ARG A 69 -13.207 -3.484 -0.726 1.00 4.11 N ATOM 998 NH2 ARG A 69 -11.888 -5.337 -1.028 1.00 63.42 N ATOM 0 H ARG A 69 -14.417 1.226 3.130 1.00 41.25 H new ATOM 0 HA ARG A 69 -13.668 -1.244 4.426 1.00 72.23 H new ATOM 0 HB2 ARG A 69 -14.964 -1.942 2.337 1.00 54.42 H new ATOM 0 HB3 ARG A 69 -13.725 -1.146 1.387 1.00 54.42 H new ATOM 0 HG2 ARG A 69 -12.815 -3.148 3.419 1.00 33.05 H new ATOM 0 HG3 ARG A 69 -13.635 -3.761 1.997 1.00 33.05 H new ATOM 0 HD2 ARG A 69 -11.861 -1.882 0.939 1.00 3.51 H new ATOM 0 HD3 ARG A 69 -10.946 -2.590 2.256 1.00 3.51 H new ATOM 0 HE ARG A 69 -10.736 -4.547 1.030 1.00 74.41 H new ATOM 0 HH11 ARG A 69 -13.450 -2.649 -0.193 1.00 4.11 H new ATOM 0 HH12 ARG A 69 -13.739 -3.728 -1.561 1.00 4.11 H new ATOM 0 HH21 ARG A 69 -11.114 -5.930 -0.728 1.00 63.42 H new ATOM 0 HH22 ARG A 69 -12.422 -5.579 -1.863 1.00 63.42 H new ATOM 1012 N LEU A 70 -11.668 0.326 4.448 1.00 41.43 N ATOM 1013 CA LEU A 70 -10.347 0.946 4.433 1.00 13.21 C ATOM 1014 C LEU A 70 -9.931 1.370 5.839 1.00 1.12 C ATOM 1015 O LEU A 70 -8.767 1.233 6.220 1.00 43.43 O ATOM 1016 CB LEU A 70 -10.341 2.158 3.500 1.00 25.40 C ATOM 1017 CG LEU A 70 -9.210 2.205 2.471 1.00 62.32 C ATOM 1018 CD1 LEU A 70 -9.706 2.797 1.160 1.00 31.10 C ATOM 1019 CD2 LEU A 70 -8.034 3.007 3.009 1.00 40.14 C ATOM 0 H LEU A 70 -12.074 0.219 5.378 1.00 41.43 H new ATOM 0 HA LEU A 70 -9.631 0.211 4.067 1.00 13.21 H new ATOM 0 HB2 LEU A 70 -11.292 2.187 2.968 1.00 25.40 H new ATOM 0 HB3 LEU A 70 -10.289 3.060 4.109 1.00 25.40 H new ATOM 0 HG LEU A 70 -8.873 1.186 2.282 1.00 62.32 H new ATOM 0 HD11 LEU A 70 -8.888 2.823 0.440 1.00 31.10 H new ATOM 0 HD12 LEU A 70 -10.516 2.183 0.767 1.00 31.10 H new ATOM 0 HD13 LEU A 70 -10.069 3.810 1.333 1.00 31.10 H new ATOM 0 HD21 LEU A 70 -7.238 3.030 2.264 1.00 40.14 H new ATOM 0 HD22 LEU A 70 -8.357 4.025 3.227 1.00 40.14 H new ATOM 0 HD23 LEU A 70 -7.663 2.541 3.922 1.00 40.14 H new ATOM 1031 N LEU A 71 -10.887 1.884 6.604 1.00 14.22 N ATOM 1032 CA LEU A 71 -10.620 2.326 7.969 1.00 44.14 C ATOM 1033 C LEU A 71 -10.727 1.163 8.949 1.00 72.03 C ATOM 1034 O LEU A 71 -9.764 0.796 9.622 1.00 35.24 O ATOM 1035 CB LEU A 71 -11.595 3.435 8.366 1.00 0.04 C ATOM 1036 CG LEU A 71 -10.974 4.799 8.671 1.00 34.35 C ATOM 1037 CD1 LEU A 71 -12.058 5.837 8.912 1.00 54.14 C ATOM 1038 CD2 LEU A 71 -10.046 4.705 9.874 1.00 33.04 C ATOM 0 H LEU A 71 -11.854 2.005 6.303 1.00 14.22 H new ATOM 0 HA LEU A 71 -9.602 2.715 8.007 1.00 44.14 H new ATOM 0 HB2 LEU A 71 -12.319 3.560 7.561 1.00 0.04 H new ATOM 0 HB3 LEU A 71 -12.149 3.106 9.245 1.00 0.04 H new ATOM 0 HG LEU A 71 -10.387 5.111 7.807 1.00 34.35 H new ATOM 0 HD11 LEU A 71 -11.597 6.801 9.127 1.00 54.14 H new ATOM 0 HD12 LEU A 71 -12.683 5.924 8.023 1.00 54.14 H new ATOM 0 HD13 LEU A 71 -12.673 5.531 9.759 1.00 54.14 H new ATOM 0 HD21 LEU A 71 -9.613 5.684 10.077 1.00 33.04 H new ATOM 0 HD22 LEU A 71 -10.611 4.371 10.744 1.00 33.04 H new ATOM 0 HD23 LEU A 71 -9.249 3.992 9.664 1.00 33.04 H new ATOM 1050 N PRO A 72 -11.925 0.566 9.031 1.00 53.14 N ATOM 1051 CA PRO A 72 -12.187 -0.566 9.923 1.00 10.15 C ATOM 1052 C PRO A 72 -11.476 -1.837 9.471 1.00 11.00 C ATOM 1053 O PRO A 72 -11.480 -2.847 10.175 1.00 63.03 O ATOM 1054 CB PRO A 72 -13.705 -0.743 9.838 1.00 21.12 C ATOM 1055 CG PRO A 72 -14.078 -0.178 8.511 1.00 13.13 C ATOM 1056 CD PRO A 72 -13.118 0.952 8.257 1.00 51.12 C ATOM 0 HA PRO A 72 -11.823 -0.381 10.933 1.00 10.15 H new ATOM 0 HB2 PRO A 72 -13.986 -1.793 9.914 1.00 21.12 H new ATOM 0 HB3 PRO A 72 -14.211 -0.218 10.648 1.00 21.12 H new ATOM 0 HG2 PRO A 72 -14.005 -0.935 7.730 1.00 13.13 H new ATOM 0 HG3 PRO A 72 -15.108 0.178 8.514 1.00 13.13 H new ATOM 0 HD2 PRO A 72 -12.892 1.057 7.196 1.00 51.12 H new ATOM 0 HD3 PRO A 72 -13.523 1.907 8.592 1.00 51.12 H new ATOM 1064 N VAL A 73 -10.867 -1.781 8.291 1.00 31.14 N ATOM 1065 CA VAL A 73 -10.150 -2.927 7.745 1.00 13.24 C ATOM 1066 C VAL A 73 -8.887 -3.218 8.547 1.00 64.32 C ATOM 1067 O VAL A 73 -8.136 -2.307 8.894 1.00 42.45 O ATOM 1068 CB VAL A 73 -9.769 -2.700 6.270 1.00 0.14 C ATOM 1069 CG1 VAL A 73 -8.681 -1.642 6.157 1.00 73.23 C ATOM 1070 CG2 VAL A 73 -9.323 -4.005 5.629 1.00 43.33 C ATOM 0 H VAL A 73 -10.856 -0.954 7.695 1.00 31.14 H new ATOM 0 HA VAL A 73 -10.823 -3.782 7.811 1.00 13.24 H new ATOM 0 HB VAL A 73 -10.649 -2.341 5.736 1.00 0.14 H new ATOM 0 HG11 VAL A 73 -8.424 -1.495 5.108 1.00 73.23 H new ATOM 0 HG12 VAL A 73 -9.041 -0.703 6.578 1.00 73.23 H new ATOM 0 HG13 VAL A 73 -7.797 -1.969 6.704 1.00 73.23 H new ATOM 0 HG21 VAL A 73 -9.058 -3.826 4.587 1.00 43.33 H new ATOM 0 HG22 VAL A 73 -8.456 -4.395 6.163 1.00 43.33 H new ATOM 0 HG23 VAL A 73 -10.135 -4.730 5.677 1.00 43.33 H new ATOM 1080 N ARG A 74 -8.658 -4.495 8.838 1.00 61.13 N ATOM 1081 CA ARG A 74 -7.485 -4.907 9.599 1.00 13.44 C ATOM 1082 C ARG A 74 -6.291 -5.134 8.678 1.00 62.04 C ATOM 1083 O ARG A 74 -6.258 -6.099 7.913 1.00 14.50 O ATOM 1084 CB ARG A 74 -7.786 -6.182 10.388 1.00 24.33 C ATOM 1085 CG ARG A 74 -7.093 -6.239 11.740 1.00 24.10 C ATOM 1086 CD ARG A 74 -5.790 -7.019 11.666 1.00 2.40 C ATOM 1087 NE ARG A 74 -5.869 -8.288 12.385 1.00 51.20 N ATOM 1088 CZ ARG A 74 -4.906 -9.203 12.371 1.00 34.31 C ATOM 1089 NH1 ARG A 74 -3.796 -8.990 11.678 1.00 62.24 N ATOM 1090 NH2 ARG A 74 -5.053 -10.333 13.050 1.00 43.24 N ATOM 0 H ARG A 74 -9.270 -5.262 8.558 1.00 61.13 H new ATOM 0 HA ARG A 74 -7.235 -4.107 10.296 1.00 13.44 H new ATOM 0 HB2 ARG A 74 -8.863 -6.261 10.537 1.00 24.33 H new ATOM 0 HB3 ARG A 74 -7.482 -7.046 9.797 1.00 24.33 H new ATOM 0 HG2 ARG A 74 -6.893 -5.226 12.090 1.00 24.10 H new ATOM 0 HG3 ARG A 74 -7.755 -6.704 12.470 1.00 24.10 H new ATOM 0 HD2 ARG A 74 -5.540 -7.209 10.622 1.00 2.40 H new ATOM 0 HD3 ARG A 74 -4.983 -6.416 12.082 1.00 2.40 H new ATOM 0 HE ARG A 74 -6.710 -8.482 12.928 1.00 51.20 H new ATOM 0 HH11 ARG A 74 -3.680 -8.122 11.154 1.00 62.24 H new ATOM 0 HH12 ARG A 74 -3.058 -9.694 11.669 1.00 62.24 H new ATOM 0 HH21 ARG A 74 -5.906 -10.500 13.584 1.00 43.24 H new ATOM 0 HH22 ARG A 74 -4.313 -11.035 13.039 1.00 43.24 H new ATOM 1104 N GLY A 75 -5.310 -4.240 8.755 1.00 60.32 N ATOM 1105 CA GLY A 75 -4.128 -4.361 7.922 1.00 13.31 C ATOM 1106 C GLY A 75 -3.758 -3.056 7.247 1.00 73.14 C ATOM 1107 O GLY A 75 -2.584 -2.694 7.180 1.00 73.44 O ATOM 0 H GLY A 75 -5.313 -3.434 9.380 1.00 60.32 H new ATOM 0 HA2 GLY A 75 -3.291 -4.701 8.532 1.00 13.31 H new ATOM 0 HA3 GLY A 75 -4.299 -5.124 7.162 1.00 13.31 H new ATOM 1111 N ALA A 76 -4.765 -2.347 6.742 1.00 24.21 N ATOM 1112 CA ALA A 76 -4.540 -1.075 6.067 1.00 11.12 C ATOM 1113 C ALA A 76 -4.092 -0.003 7.054 1.00 11.22 C ATOM 1114 O ALA A 76 -3.097 0.688 6.828 1.00 43.01 O ATOM 1115 CB ALA A 76 -5.801 -0.633 5.340 1.00 1.54 C ATOM 0 H ALA A 76 -5.743 -2.633 6.788 1.00 24.21 H new ATOM 0 HA ALA A 76 -3.744 -1.215 5.336 1.00 11.12 H new ATOM 0 HB1 ALA A 76 -5.618 0.318 4.840 1.00 1.54 H new ATOM 0 HB2 ALA A 76 -6.077 -1.384 4.600 1.00 1.54 H new ATOM 0 HB3 ALA A 76 -6.613 -0.516 6.058 1.00 1.54 H new ATOM 1121 N VAL A 77 -4.831 0.135 8.150 1.00 22.55 N ATOM 1122 CA VAL A 77 -4.510 1.122 9.172 1.00 1.41 C ATOM 1123 C VAL A 77 -3.110 0.898 9.732 1.00 11.41 C ATOM 1124 O VAL A 77 -2.341 1.845 9.907 1.00 75.54 O ATOM 1125 CB VAL A 77 -5.525 1.084 10.329 1.00 61.32 C ATOM 1126 CG1 VAL A 77 -5.148 2.092 11.404 1.00 42.00 C ATOM 1127 CG2 VAL A 77 -6.932 1.346 9.812 1.00 63.22 C ATOM 0 H VAL A 77 -5.658 -0.426 8.353 1.00 22.55 H new ATOM 0 HA VAL A 77 -4.555 2.099 8.692 1.00 1.41 H new ATOM 0 HB VAL A 77 -5.505 0.089 10.774 1.00 61.32 H new ATOM 0 HG11 VAL A 77 -5.877 2.051 12.213 1.00 42.00 H new ATOM 0 HG12 VAL A 77 -4.158 1.855 11.794 1.00 42.00 H new ATOM 0 HG13 VAL A 77 -5.138 3.094 10.976 1.00 42.00 H new ATOM 0 HG21 VAL A 77 -7.637 1.315 10.643 1.00 63.22 H new ATOM 0 HG22 VAL A 77 -6.969 2.328 9.340 1.00 63.22 H new ATOM 0 HG23 VAL A 77 -7.199 0.582 9.082 1.00 63.22 H new ATOM 1137 N GLU A 78 -2.785 -0.360 10.012 1.00 2.23 N ATOM 1138 CA GLU A 78 -1.475 -0.707 10.553 1.00 31.25 C ATOM 1139 C GLU A 78 -0.377 -0.454 9.524 1.00 2.25 C ATOM 1140 O GLU A 78 0.760 -0.139 9.880 1.00 71.42 O ATOM 1141 CB GLU A 78 -1.451 -2.174 10.988 1.00 34.11 C ATOM 1142 CG GLU A 78 -0.631 -2.424 12.243 1.00 33.22 C ATOM 1143 CD GLU A 78 -1.248 -1.796 13.478 1.00 14.11 C ATOM 1144 OE1 GLU A 78 -2.457 -2.010 13.712 1.00 64.14 O ATOM 1145 OE2 GLU A 78 -0.524 -1.089 14.211 1.00 63.44 O ATOM 0 H GLU A 78 -3.409 -1.155 9.874 1.00 2.23 H new ATOM 0 HA GLU A 78 -1.290 -0.074 11.421 1.00 31.25 H new ATOM 0 HB2 GLU A 78 -2.474 -2.510 11.160 1.00 34.11 H new ATOM 0 HB3 GLU A 78 -1.049 -2.779 10.175 1.00 34.11 H new ATOM 0 HG2 GLU A 78 -0.530 -3.498 12.398 1.00 33.22 H new ATOM 0 HG3 GLU A 78 0.374 -2.026 12.101 1.00 33.22 H new ATOM 1152 N CYS A 79 -0.724 -0.593 8.250 1.00 33.44 N ATOM 1153 CA CYS A 79 0.233 -0.381 7.170 1.00 62.41 C ATOM 1154 C CYS A 79 0.622 1.090 7.069 1.00 32.41 C ATOM 1155 O CYS A 79 1.805 1.429 7.021 1.00 23.34 O ATOM 1156 CB CYS A 79 -0.355 -0.858 5.839 1.00 12.43 C ATOM 1157 SG CYS A 79 0.741 -0.619 4.422 1.00 23.30 S ATOM 0 H CYS A 79 -1.660 -0.851 7.939 1.00 33.44 H new ATOM 0 HA CYS A 79 1.129 -0.961 7.392 1.00 62.41 H new ATOM 0 HB2 CYS A 79 -0.600 -1.917 5.921 1.00 12.43 H new ATOM 0 HB3 CYS A 79 -1.289 -0.328 5.656 1.00 12.43 H new ATOM 0 HG CYS A 79 0.255 -1.239 3.388 1.00 23.30 H new ATOM 1163 N LEU A 80 -0.382 1.961 7.036 1.00 43.00 N ATOM 1164 CA LEU A 80 -0.144 3.397 6.939 1.00 12.54 C ATOM 1165 C LEU A 80 0.564 3.918 8.186 1.00 31.35 C ATOM 1166 O LEU A 80 1.530 4.675 8.094 1.00 24.31 O ATOM 1167 CB LEU A 80 -1.468 4.140 6.744 1.00 43.31 C ATOM 1168 CG LEU A 80 -2.400 3.578 5.671 1.00 62.04 C ATOM 1169 CD1 LEU A 80 -3.804 3.399 6.224 1.00 73.44 C ATOM 1170 CD2 LEU A 80 -2.417 4.487 4.450 1.00 12.43 C ATOM 0 H LEU A 80 -1.367 1.698 7.075 1.00 43.00 H new ATOM 0 HA LEU A 80 0.499 3.576 6.077 1.00 12.54 H new ATOM 0 HB2 LEU A 80 -2.002 4.146 7.694 1.00 43.31 H new ATOM 0 HB3 LEU A 80 -1.246 5.178 6.497 1.00 43.31 H new ATOM 0 HG LEU A 80 -2.025 2.601 5.367 1.00 62.04 H new ATOM 0 HD11 LEU A 80 -4.453 2.998 5.446 1.00 73.44 H new ATOM 0 HD12 LEU A 80 -3.778 2.708 7.066 1.00 73.44 H new ATOM 0 HD13 LEU A 80 -4.189 4.363 6.557 1.00 73.44 H new ATOM 0 HD21 LEU A 80 -3.086 4.071 3.696 1.00 12.43 H new ATOM 0 HD22 LEU A 80 -2.767 5.478 4.739 1.00 12.43 H new ATOM 0 HD23 LEU A 80 -1.410 4.563 4.039 1.00 12.43 H new ATOM 1182 N PHE A 81 0.078 3.505 9.352 1.00 13.21 N ATOM 1183 CA PHE A 81 0.665 3.928 10.619 1.00 32.21 C ATOM 1184 C PHE A 81 2.115 3.467 10.726 1.00 42.31 C ATOM 1185 O PHE A 81 2.986 4.222 11.159 1.00 51.10 O ATOM 1186 CB PHE A 81 -0.145 3.373 11.792 1.00 23.31 C ATOM 1187 CG PHE A 81 -1.187 4.326 12.306 1.00 22.40 C ATOM 1188 CD1 PHE A 81 -2.362 4.534 11.600 1.00 23.14 C ATOM 1189 CD2 PHE A 81 -0.990 5.013 13.492 1.00 22.42 C ATOM 1190 CE1 PHE A 81 -3.320 5.412 12.071 1.00 61.33 C ATOM 1191 CE2 PHE A 81 -1.947 5.890 13.968 1.00 64.04 C ATOM 1192 CZ PHE A 81 -3.114 6.089 13.256 1.00 4.14 C ATOM 0 H PHE A 81 -0.721 2.878 9.446 1.00 13.21 H new ATOM 0 HA PHE A 81 0.644 5.017 10.655 1.00 32.21 H new ATOM 0 HB2 PHE A 81 -0.631 2.448 11.482 1.00 23.31 H new ATOM 0 HB3 PHE A 81 0.535 3.118 12.605 1.00 23.31 H new ATOM 0 HD1 PHE A 81 -2.530 4.005 10.674 1.00 23.14 H new ATOM 0 HD2 PHE A 81 -0.079 4.862 14.051 1.00 22.42 H new ATOM 0 HE1 PHE A 81 -4.230 5.568 11.511 1.00 61.33 H new ATOM 0 HE2 PHE A 81 -1.782 6.419 14.895 1.00 64.04 H new ATOM 0 HZ PHE A 81 -3.864 6.773 13.626 1.00 4.14 H new ATOM 1202 N GLU A 82 2.368 2.225 10.327 1.00 73.31 N ATOM 1203 CA GLU A 82 3.713 1.664 10.380 1.00 73.52 C ATOM 1204 C GLU A 82 4.613 2.309 9.330 1.00 35.23 C ATOM 1205 O GLU A 82 5.760 2.655 9.609 1.00 74.12 O ATOM 1206 CB GLU A 82 3.666 0.149 10.166 1.00 23.11 C ATOM 1207 CG GLU A 82 3.195 -0.623 11.387 1.00 20.11 C ATOM 1208 CD GLU A 82 4.303 -0.853 12.397 1.00 24.43 C ATOM 1209 OE1 GLU A 82 5.231 -0.020 12.460 1.00 54.13 O ATOM 1210 OE2 GLU A 82 4.244 -1.867 13.121 1.00 33.22 O ATOM 0 H GLU A 82 1.659 1.588 9.963 1.00 73.31 H new ATOM 0 HA GLU A 82 4.128 1.872 11.366 1.00 73.52 H new ATOM 0 HB2 GLU A 82 3.003 -0.071 9.329 1.00 23.11 H new ATOM 0 HB3 GLU A 82 4.660 -0.201 9.886 1.00 23.11 H new ATOM 0 HG2 GLU A 82 2.381 -0.078 11.865 1.00 20.11 H new ATOM 0 HG3 GLU A 82 2.792 -1.585 11.070 1.00 20.11 H new ATOM 1217 N MET A 83 4.082 2.467 8.122 1.00 45.21 N ATOM 1218 CA MET A 83 4.837 3.071 7.029 1.00 43.10 C ATOM 1219 C MET A 83 5.187 4.521 7.347 1.00 13.52 C ATOM 1220 O MET A 83 6.340 4.931 7.227 1.00 41.12 O ATOM 1221 CB MET A 83 4.036 2.999 5.727 1.00 45.41 C ATOM 1222 CG MET A 83 4.888 3.177 4.481 1.00 41.23 C ATOM 1223 SD MET A 83 4.127 2.460 3.011 1.00 35.42 S ATOM 1224 CE MET A 83 2.544 3.298 3.006 1.00 2.32 C ATOM 0 H MET A 83 3.133 2.186 7.875 1.00 45.21 H new ATOM 0 HA MET A 83 5.764 2.511 6.907 1.00 43.10 H new ATOM 0 HB2 MET A 83 3.527 2.036 5.675 1.00 45.41 H new ATOM 0 HB3 MET A 83 3.263 3.768 5.742 1.00 45.41 H new ATOM 0 HG2 MET A 83 5.062 4.240 4.314 1.00 41.23 H new ATOM 0 HG3 MET A 83 5.862 2.716 4.643 1.00 41.23 H new ATOM 0 HE1 MET A 83 2.208 3.436 1.978 1.00 2.32 H new ATOM 0 HE2 MET A 83 1.813 2.699 3.549 1.00 2.32 H new ATOM 0 HE3 MET A 83 2.646 4.270 3.488 1.00 2.32 H new ATOM 1234 N GLY A 84 4.182 5.292 7.751 1.00 31.33 N ATOM 1235 CA GLY A 84 4.404 6.688 8.080 1.00 44.40 C ATOM 1236 C GLY A 84 3.272 7.581 7.611 1.00 72.13 C ATOM 1237 O GLY A 84 3.462 8.431 6.740 1.00 30.32 O ATOM 0 H GLY A 84 3.218 4.975 7.856 1.00 31.33 H new ATOM 0 HA2 GLY A 84 4.520 6.790 9.159 1.00 44.40 H new ATOM 0 HA3 GLY A 84 5.337 7.021 7.626 1.00 44.40 H new ATOM 1241 N PHE A 85 2.090 7.387 8.187 1.00 5.34 N ATOM 1242 CA PHE A 85 0.922 8.180 7.822 1.00 4.13 C ATOM 1243 C PHE A 85 0.131 8.585 9.062 1.00 64.34 C ATOM 1244 O PHE A 85 0.524 8.285 10.187 1.00 3.44 O ATOM 1245 CB PHE A 85 0.025 7.393 6.864 1.00 13.24 C ATOM 1246 CG PHE A 85 0.108 7.865 5.441 1.00 34.32 C ATOM 1247 CD1 PHE A 85 -0.338 9.128 5.090 1.00 44.14 C ATOM 1248 CD2 PHE A 85 0.632 7.046 4.455 1.00 65.34 C ATOM 1249 CE1 PHE A 85 -0.264 9.564 3.780 1.00 52.34 C ATOM 1250 CE2 PHE A 85 0.711 7.478 3.144 1.00 23.42 C ATOM 1251 CZ PHE A 85 0.263 8.738 2.806 1.00 72.11 C ATOM 0 H PHE A 85 1.916 6.687 8.908 1.00 5.34 H new ATOM 0 HA PHE A 85 1.269 9.085 7.323 1.00 4.13 H new ATOM 0 HB2 PHE A 85 0.300 6.339 6.905 1.00 13.24 H new ATOM 0 HB3 PHE A 85 -1.008 7.467 7.203 1.00 13.24 H new ATOM 0 HD1 PHE A 85 -0.748 9.779 5.848 1.00 44.14 H new ATOM 0 HD2 PHE A 85 0.983 6.058 4.713 1.00 65.34 H new ATOM 0 HE1 PHE A 85 -0.618 10.550 3.518 1.00 52.34 H new ATOM 0 HE2 PHE A 85 1.123 6.829 2.385 1.00 23.42 H new ATOM 0 HZ PHE A 85 0.324 9.078 1.783 1.00 72.11 H new ATOM 1261 N GLU A 86 -0.989 9.271 8.844 1.00 23.33 N ATOM 1262 CA GLU A 86 -1.835 9.717 9.944 1.00 41.54 C ATOM 1263 C GLU A 86 -3.310 9.626 9.566 1.00 21.22 C ATOM 1264 O GLU A 86 -3.777 10.329 8.672 1.00 74.22 O ATOM 1265 CB GLU A 86 -1.486 11.156 10.332 1.00 42.41 C ATOM 1266 CG GLU A 86 -2.435 11.758 11.354 1.00 32.11 C ATOM 1267 CD GLU A 86 -1.775 12.821 12.209 1.00 43.42 C ATOM 1268 OE1 GLU A 86 -1.035 13.657 11.649 1.00 11.44 O ATOM 1269 OE2 GLU A 86 -1.998 12.818 13.437 1.00 13.22 O ATOM 0 H GLU A 86 -1.329 9.529 7.918 1.00 23.33 H new ATOM 0 HA GLU A 86 -1.654 9.063 10.797 1.00 41.54 H new ATOM 0 HB2 GLU A 86 -0.472 11.180 10.732 1.00 42.41 H new ATOM 0 HB3 GLU A 86 -1.490 11.776 9.436 1.00 42.41 H new ATOM 0 HG2 GLU A 86 -3.291 12.193 10.837 1.00 32.11 H new ATOM 0 HG3 GLU A 86 -2.819 10.967 11.998 1.00 32.11 H new ATOM 1276 N GLU A 87 -4.038 8.753 10.256 1.00 30.04 N ATOM 1277 CA GLU A 87 -5.460 8.567 9.993 1.00 72.25 C ATOM 1278 C GLU A 87 -6.264 9.773 10.470 1.00 1.20 C ATOM 1279 O GLU A 87 -6.291 10.083 11.659 1.00 0.21 O ATOM 1280 CB GLU A 87 -5.967 7.298 10.681 1.00 72.44 C ATOM 1281 CG GLU A 87 -7.476 7.132 10.615 1.00 14.50 C ATOM 1282 CD GLU A 87 -8.004 7.138 9.194 1.00 25.11 C ATOM 1283 OE1 GLU A 87 -7.292 6.646 8.295 1.00 65.25 O ATOM 1284 OE2 GLU A 87 -9.130 7.634 8.980 1.00 13.33 O ATOM 0 H GLU A 87 -3.666 8.164 11.001 1.00 30.04 H new ATOM 0 HA GLU A 87 -5.594 8.466 8.916 1.00 72.25 H new ATOM 0 HB2 GLU A 87 -5.494 6.431 10.220 1.00 72.44 H new ATOM 0 HB3 GLU A 87 -5.657 7.312 11.726 1.00 72.44 H new ATOM 0 HG2 GLU A 87 -7.756 6.196 11.098 1.00 14.50 H new ATOM 0 HG3 GLU A 87 -7.951 7.936 11.178 1.00 14.50 H new ATOM 1291 N GLY A 88 -6.917 10.451 9.530 1.00 53.54 N ATOM 1292 CA GLY A 88 -7.712 11.616 9.874 1.00 45.41 C ATOM 1293 C GLY A 88 -9.197 11.316 9.902 1.00 31.03 C ATOM 1294 O GLY A 88 -9.601 10.155 9.931 1.00 22.14 O ATOM 0 H GLY A 88 -6.910 10.215 8.538 1.00 53.54 H new ATOM 0 HA2 GLY A 88 -7.401 11.989 10.850 1.00 45.41 H new ATOM 0 HA3 GLY A 88 -7.518 12.410 9.153 1.00 45.41 H new ATOM 1298 N GLU A 89 -10.011 12.366 9.897 1.00 41.31 N ATOM 1299 CA GLU A 89 -11.460 12.209 9.927 1.00 71.22 C ATOM 1300 C GLU A 89 -12.031 12.152 8.512 1.00 25.32 C ATOM 1301 O GLU A 89 -12.868 11.305 8.201 1.00 50.10 O ATOM 1302 CB GLU A 89 -12.105 13.360 10.702 1.00 72.41 C ATOM 1303 CG GLU A 89 -12.578 12.968 12.092 1.00 63.53 C ATOM 1304 CD GLU A 89 -12.894 14.169 12.961 1.00 54.20 C ATOM 1305 OE1 GLU A 89 -13.321 15.206 12.407 1.00 33.44 O ATOM 1306 OE2 GLU A 89 -12.716 14.074 14.193 1.00 2.14 O ATOM 0 H GLU A 89 -9.692 13.335 9.872 1.00 41.31 H new ATOM 0 HA GLU A 89 -11.687 11.269 10.431 1.00 71.22 H new ATOM 0 HB2 GLU A 89 -11.387 14.176 10.788 1.00 72.41 H new ATOM 0 HB3 GLU A 89 -12.953 13.740 10.132 1.00 72.41 H new ATOM 0 HG2 GLU A 89 -13.467 12.342 12.006 1.00 63.53 H new ATOM 0 HG3 GLU A 89 -11.810 12.366 12.577 1.00 63.53 H new ATOM 1313 N THR A 90 -11.569 13.060 7.658 1.00 12.21 N ATOM 1314 CA THR A 90 -12.033 13.116 6.277 1.00 1.24 C ATOM 1315 C THR A 90 -10.891 12.848 5.303 1.00 62.22 C ATOM 1316 O THR A 90 -11.117 12.439 4.163 1.00 14.31 O ATOM 1317 CB THR A 90 -12.663 14.483 5.950 1.00 23.52 C ATOM 1318 OG1 THR A 90 -11.635 15.460 5.752 1.00 61.24 O ATOM 1319 CG2 THR A 90 -13.588 14.934 7.070 1.00 1.44 C ATOM 0 H THR A 90 -10.874 13.767 7.898 1.00 12.21 H new ATOM 0 HA THR A 90 -12.791 12.341 6.166 1.00 1.24 H new ATOM 0 HB THR A 90 -13.248 14.380 5.036 1.00 23.52 H new ATOM 0 HG1 THR A 90 -12.043 16.326 5.543 1.00 61.24 H new ATOM 0 HG21 THR A 90 -14.021 15.902 6.817 1.00 1.44 H new ATOM 0 HG22 THR A 90 -14.385 14.202 7.200 1.00 1.44 H new ATOM 0 HG23 THR A 90 -13.021 15.022 7.997 1.00 1.44 H new ATOM 1327 N HIS A 91 -9.664 13.081 5.758 1.00 31.13 N ATOM 1328 CA HIS A 91 -8.487 12.864 4.926 1.00 64.03 C ATOM 1329 C HIS A 91 -7.287 12.455 5.777 1.00 73.54 C ATOM 1330 O HIS A 91 -7.287 12.637 6.994 1.00 10.55 O ATOM 1331 CB HIS A 91 -8.156 14.130 4.133 1.00 23.55 C ATOM 1332 CG HIS A 91 -8.059 15.359 4.982 1.00 14.31 C ATOM 1333 ND1 HIS A 91 -7.938 15.319 6.355 1.00 40.14 N ATOM 1334 CD2 HIS A 91 -8.067 16.671 4.646 1.00 62.51 C ATOM 1335 CE1 HIS A 91 -7.876 16.552 6.826 1.00 14.41 C ATOM 1336 NE2 HIS A 91 -7.952 17.390 5.808 1.00 14.42 N ATOM 0 H HIS A 91 -9.459 13.420 6.698 1.00 31.13 H new ATOM 0 HA HIS A 91 -8.709 12.055 4.230 1.00 64.03 H new ATOM 0 HB2 HIS A 91 -7.211 13.984 3.609 1.00 23.55 H new ATOM 0 HB3 HIS A 91 -8.922 14.283 3.372 1.00 23.55 H new ATOM 0 HD1 HIS A 91 -7.902 14.470 6.919 1.00 40.14 H new ATOM 0 HD2 HIS A 91 -8.149 17.076 3.648 1.00 62.51 H new ATOM 0 HE1 HIS A 91 -7.780 16.827 7.866 1.00 14.41 H new ATOM 1344 N LEU A 92 -6.270 11.899 5.129 1.00 62.33 N ATOM 1345 CA LEU A 92 -5.065 11.463 5.826 1.00 34.40 C ATOM 1346 C LEU A 92 -3.944 12.484 5.666 1.00 21.11 C ATOM 1347 O LEU A 92 -3.792 13.092 4.605 1.00 54.42 O ATOM 1348 CB LEU A 92 -4.610 10.101 5.295 1.00 15.32 C ATOM 1349 CG LEU A 92 -4.989 8.889 6.148 1.00 51.33 C ATOM 1350 CD1 LEU A 92 -6.178 8.160 5.542 1.00 4.21 C ATOM 1351 CD2 LEU A 92 -3.801 7.948 6.293 1.00 54.03 C ATOM 0 H LEU A 92 -6.255 11.739 4.122 1.00 62.33 H new ATOM 0 HA LEU A 92 -5.300 11.373 6.886 1.00 34.40 H new ATOM 0 HB2 LEU A 92 -5.028 9.964 4.298 1.00 15.32 H new ATOM 0 HB3 LEU A 92 -3.526 10.119 5.186 1.00 15.32 H new ATOM 0 HG LEU A 92 -5.273 9.241 7.140 1.00 51.33 H new ATOM 0 HD11 LEU A 92 -6.433 7.301 6.163 1.00 4.21 H new ATOM 0 HD12 LEU A 92 -7.031 8.836 5.490 1.00 4.21 H new ATOM 0 HD13 LEU A 92 -5.923 7.820 4.538 1.00 4.21 H new ATOM 0 HD21 LEU A 92 -4.088 7.091 6.903 1.00 54.03 H new ATOM 0 HD22 LEU A 92 -3.487 7.603 5.308 1.00 54.03 H new ATOM 0 HD23 LEU A 92 -2.976 8.475 6.773 1.00 54.03 H new ATOM 1363 N ILE A 93 -3.160 12.663 6.722 1.00 13.22 N ATOM 1364 CA ILE A 93 -2.050 13.608 6.697 1.00 34.02 C ATOM 1365 C ILE A 93 -0.710 12.881 6.669 1.00 70.23 C ATOM 1366 O ILE A 93 -0.532 11.859 7.332 1.00 61.22 O ATOM 1367 CB ILE A 93 -2.085 14.549 7.917 1.00 25.00 C ATOM 1368 CG1 ILE A 93 -3.209 15.575 7.765 1.00 51.43 C ATOM 1369 CG2 ILE A 93 -0.743 15.246 8.086 1.00 51.33 C ATOM 1370 CD1 ILE A 93 -4.593 14.981 7.909 1.00 33.41 C ATOM 0 H ILE A 93 -3.272 12.167 7.606 1.00 13.22 H new ATOM 0 HA ILE A 93 -2.159 14.200 5.788 1.00 34.02 H new ATOM 0 HB ILE A 93 -2.279 13.955 8.810 1.00 25.00 H new ATOM 0 HG12 ILE A 93 -3.079 16.358 8.512 1.00 51.43 H new ATOM 0 HG13 ILE A 93 -3.126 16.050 6.788 1.00 51.43 H new ATOM 0 HG21 ILE A 93 -0.783 15.907 8.952 1.00 51.33 H new ATOM 0 HG22 ILE A 93 0.038 14.500 8.235 1.00 51.33 H new ATOM 0 HG23 ILE A 93 -0.521 15.830 7.193 1.00 51.33 H new ATOM 0 HD11 ILE A 93 -5.340 15.766 7.790 1.00 33.41 H new ATOM 0 HD12 ILE A 93 -4.743 14.218 7.145 1.00 33.41 H new ATOM 0 HD13 ILE A 93 -4.695 14.530 8.896 1.00 33.41 H new ATOM 1382 N PHE A 94 0.230 13.417 5.898 1.00 25.12 N ATOM 1383 CA PHE A 94 1.556 12.820 5.783 1.00 4.05 C ATOM 1384 C PHE A 94 2.510 13.407 6.819 1.00 54.21 C ATOM 1385 O PHE A 94 2.769 14.610 6.849 1.00 51.22 O ATOM 1386 CB PHE A 94 2.117 13.038 4.376 1.00 71.43 C ATOM 1387 CG PHE A 94 3.196 12.062 4.001 1.00 14.34 C ATOM 1388 CD1 PHE A 94 4.507 12.272 4.400 1.00 34.30 C ATOM 1389 CD2 PHE A 94 2.899 10.936 3.252 1.00 24.11 C ATOM 1390 CE1 PHE A 94 5.500 11.375 4.058 1.00 24.14 C ATOM 1391 CE2 PHE A 94 3.890 10.036 2.907 1.00 20.32 C ATOM 1392 CZ PHE A 94 5.192 10.256 3.311 1.00 62.14 C ATOM 0 H PHE A 94 0.099 14.263 5.344 1.00 25.12 H new ATOM 0 HA PHE A 94 1.461 11.750 5.968 1.00 4.05 H new ATOM 0 HB2 PHE A 94 1.304 12.963 3.654 1.00 71.43 H new ATOM 0 HB3 PHE A 94 2.514 14.051 4.305 1.00 71.43 H new ATOM 0 HD1 PHE A 94 4.754 13.146 4.984 1.00 34.30 H new ATOM 0 HD2 PHE A 94 1.882 10.759 2.934 1.00 24.11 H new ATOM 0 HE1 PHE A 94 6.518 11.549 4.375 1.00 24.14 H new ATOM 0 HE2 PHE A 94 3.646 9.162 2.322 1.00 20.32 H new ATOM 0 HZ PHE A 94 5.968 9.554 3.043 1.00 62.14 H new ATOM 1402 N PRO A 95 3.044 12.540 7.690 1.00 23.34 N ATOM 1403 CA PRO A 95 3.977 12.948 8.745 1.00 55.14 C ATOM 1404 C PRO A 95 5.331 13.372 8.188 1.00 55.33 C ATOM 1405 O PRO A 95 5.898 12.702 7.325 1.00 61.11 O ATOM 1406 CB PRO A 95 4.121 11.686 9.599 1.00 13.34 C ATOM 1407 CG PRO A 95 3.811 10.563 8.672 1.00 70.42 C ATOM 1408 CD PRO A 95 2.779 11.091 7.713 1.00 33.32 C ATOM 0 HA PRO A 95 3.614 13.814 9.298 1.00 55.14 H new ATOM 0 HB2 PRO A 95 5.128 11.597 10.006 1.00 13.34 H new ATOM 0 HB3 PRO A 95 3.435 11.701 10.446 1.00 13.34 H new ATOM 0 HG2 PRO A 95 4.706 10.236 8.142 1.00 70.42 H new ATOM 0 HG3 PRO A 95 3.431 9.700 9.218 1.00 70.42 H new ATOM 0 HD2 PRO A 95 2.886 10.647 6.723 1.00 33.32 H new ATOM 0 HD3 PRO A 95 1.766 10.873 8.052 1.00 33.32 H new ATOM 1416 N LYS A 96 5.846 14.491 8.687 1.00 2.41 N ATOM 1417 CA LYS A 96 7.135 15.006 8.240 1.00 15.42 C ATOM 1418 C LYS A 96 8.264 14.058 8.633 1.00 3.00 C ATOM 1419 O LYS A 96 9.382 14.164 8.126 1.00 22.13 O ATOM 1420 CB LYS A 96 7.388 16.393 8.837 1.00 32.15 C ATOM 1421 CG LYS A 96 6.466 17.468 8.290 1.00 23.32 C ATOM 1422 CD LYS A 96 6.127 18.503 9.349 1.00 73.13 C ATOM 1423 CE LYS A 96 4.786 18.210 10.005 1.00 71.30 C ATOM 1424 NZ LYS A 96 4.353 19.316 10.901 1.00 72.14 N ATOM 0 H LYS A 96 5.390 15.059 9.401 1.00 2.41 H new ATOM 0 HA LYS A 96 7.111 15.084 7.153 1.00 15.42 H new ATOM 0 HB2 LYS A 96 7.269 16.341 9.919 1.00 32.15 H new ATOM 0 HB3 LYS A 96 8.422 16.680 8.643 1.00 32.15 H new ATOM 0 HG2 LYS A 96 6.941 17.958 7.440 1.00 23.32 H new ATOM 0 HG3 LYS A 96 5.549 17.009 7.922 1.00 23.32 H new ATOM 0 HD2 LYS A 96 6.909 18.518 10.108 1.00 73.13 H new ATOM 0 HD3 LYS A 96 6.103 19.494 8.896 1.00 73.13 H new ATOM 0 HE2 LYS A 96 4.032 18.051 9.234 1.00 71.30 H new ATOM 0 HE3 LYS A 96 4.856 17.285 10.578 1.00 71.30 H new ATOM 0 HZ1 LYS A 96 3.435 19.078 11.328 1.00 72.14 H new ATOM 0 HZ2 LYS A 96 5.060 19.451 11.652 1.00 72.14 H new ATOM 0 HZ3 LYS A 96 4.261 20.193 10.350 1.00 72.14 H new ATOM 1438 N LYS A 97 7.965 13.131 9.537 1.00 4.11 N ATOM 1439 CA LYS A 97 8.954 12.163 9.995 1.00 32.15 C ATOM 1440 C LYS A 97 9.058 10.991 9.024 1.00 41.51 C ATOM 1441 O LYS A 97 10.044 10.254 9.029 1.00 13.34 O ATOM 1442 CB LYS A 97 8.588 11.650 11.389 1.00 2.53 C ATOM 1443 CG LYS A 97 8.562 12.738 12.449 1.00 55.40 C ATOM 1444 CD LYS A 97 7.347 12.607 13.353 1.00 13.14 C ATOM 1445 CE LYS A 97 6.238 13.560 12.938 1.00 15.32 C ATOM 1446 NZ LYS A 97 5.731 14.356 14.091 1.00 14.12 N ATOM 0 H LYS A 97 7.046 13.030 9.967 1.00 4.11 H new ATOM 0 HA LYS A 97 9.921 12.663 10.040 1.00 32.15 H new ATOM 0 HB2 LYS A 97 7.609 11.173 11.346 1.00 2.53 H new ATOM 0 HB3 LYS A 97 9.304 10.883 11.685 1.00 2.53 H new ATOM 0 HG2 LYS A 97 9.470 12.685 13.049 1.00 55.40 H new ATOM 0 HG3 LYS A 97 8.555 13.716 11.968 1.00 55.40 H new ATOM 0 HD2 LYS A 97 6.978 11.582 13.322 1.00 13.14 H new ATOM 0 HD3 LYS A 97 7.636 12.810 14.384 1.00 13.14 H new ATOM 0 HE2 LYS A 97 6.608 14.234 12.166 1.00 15.32 H new ATOM 0 HE3 LYS A 97 5.417 12.993 12.499 1.00 15.32 H new ATOM 0 HZ1 LYS A 97 4.976 14.994 13.767 1.00 14.12 H new ATOM 0 HZ2 LYS A 97 5.354 13.714 14.817 1.00 14.12 H new ATOM 0 HZ3 LYS A 97 6.508 14.917 14.494 1.00 14.12 H new ATOM 1460 N ALA A 98 8.038 10.827 8.188 1.00 21.25 N ATOM 1461 CA ALA A 98 8.017 9.747 7.210 1.00 44.23 C ATOM 1462 C ALA A 98 9.095 9.948 6.149 1.00 63.32 C ATOM 1463 O ALA A 98 9.416 11.079 5.784 1.00 44.11 O ATOM 1464 CB ALA A 98 6.645 9.651 6.559 1.00 22.13 C ATOM 0 H ALA A 98 7.215 11.429 8.169 1.00 21.25 H new ATOM 0 HA ALA A 98 8.226 8.813 7.731 1.00 44.23 H new ATOM 0 HB1 ALA A 98 6.644 8.840 5.831 1.00 22.13 H new ATOM 0 HB2 ALA A 98 5.893 9.454 7.323 1.00 22.13 H new ATOM 0 HB3 ALA A 98 6.414 10.590 6.057 1.00 22.13 H new ATOM 1470 N SER A 99 9.649 8.844 5.659 1.00 51.34 N ATOM 1471 CA SER A 99 10.694 8.899 4.644 1.00 44.43 C ATOM 1472 C SER A 99 10.145 8.500 3.277 1.00 32.13 C ATOM 1473 O SER A 99 9.793 7.342 3.051 1.00 32.54 O ATOM 1474 CB SER A 99 11.857 7.982 5.028 1.00 43.21 C ATOM 1475 OG SER A 99 11.403 6.876 5.790 1.00 43.41 O ATOM 0 H SER A 99 9.392 7.900 5.949 1.00 51.34 H new ATOM 0 HA SER A 99 11.056 9.926 4.585 1.00 44.43 H new ATOM 0 HB2 SER A 99 12.357 7.626 4.127 1.00 43.21 H new ATOM 0 HB3 SER A 99 12.594 8.545 5.601 1.00 43.21 H new ATOM 0 HG SER A 99 12.164 6.304 6.022 1.00 43.41 H new ATOM 1481 N VAL A 100 10.076 9.467 2.368 1.00 73.01 N ATOM 1482 CA VAL A 100 9.573 9.218 1.023 1.00 34.44 C ATOM 1483 C VAL A 100 10.417 8.171 0.304 1.00 13.23 C ATOM 1484 O VAL A 100 9.909 7.408 -0.516 1.00 43.35 O ATOM 1485 CB VAL A 100 9.550 10.509 0.184 1.00 42.20 C ATOM 1486 CG1 VAL A 100 8.424 11.424 0.639 1.00 42.14 C ATOM 1487 CG2 VAL A 100 10.893 11.220 0.265 1.00 54.21 C ATOM 0 H VAL A 100 10.362 10.431 2.539 1.00 73.01 H new ATOM 0 HA VAL A 100 8.554 8.846 1.131 1.00 34.44 H new ATOM 0 HB VAL A 100 9.368 10.242 -0.857 1.00 42.20 H new ATOM 0 HG11 VAL A 100 8.425 12.331 0.034 1.00 42.14 H new ATOM 0 HG12 VAL A 100 7.469 10.911 0.523 1.00 42.14 H new ATOM 0 HG13 VAL A 100 8.570 11.687 1.687 1.00 42.14 H new ATOM 0 HG21 VAL A 100 10.859 12.130 -0.334 1.00 54.21 H new ATOM 0 HG22 VAL A 100 11.107 11.476 1.303 1.00 54.21 H new ATOM 0 HG23 VAL A 100 11.676 10.564 -0.116 1.00 54.21 H new ATOM 1497 N GLU A 101 11.707 8.141 0.623 1.00 64.03 N ATOM 1498 CA GLU A 101 12.623 7.187 0.005 1.00 54.22 C ATOM 1499 C GLU A 101 12.255 5.756 0.388 1.00 14.14 C ATOM 1500 O GLU A 101 12.335 4.844 -0.434 1.00 4.01 O ATOM 1501 CB GLU A 101 14.063 7.486 0.424 1.00 54.42 C ATOM 1502 CG GLU A 101 14.691 8.642 -0.336 1.00 23.30 C ATOM 1503 CD GLU A 101 16.187 8.475 -0.521 1.00 21.45 C ATOM 1504 OE1 GLU A 101 16.888 8.259 0.489 1.00 21.24 O ATOM 1505 OE2 GLU A 101 16.656 8.560 -1.675 1.00 24.21 O ATOM 0 H GLU A 101 12.141 8.764 1.304 1.00 64.03 H new ATOM 0 HA GLU A 101 12.540 7.288 -1.077 1.00 54.22 H new ATOM 0 HB2 GLU A 101 14.083 7.710 1.491 1.00 54.42 H new ATOM 0 HB3 GLU A 101 14.669 6.592 0.275 1.00 54.42 H new ATOM 0 HG2 GLU A 101 14.216 8.731 -1.313 1.00 23.30 H new ATOM 0 HG3 GLU A 101 14.496 9.572 0.199 1.00 23.30 H new ATOM 1512 N GLN A 102 11.854 5.570 1.641 1.00 32.43 N ATOM 1513 CA GLN A 102 11.476 4.250 2.133 1.00 3.40 C ATOM 1514 C GLN A 102 10.113 3.835 1.589 1.00 14.22 C ATOM 1515 O GLN A 102 9.894 2.670 1.255 1.00 21.13 O ATOM 1516 CB GLN A 102 11.452 4.240 3.663 1.00 44.42 C ATOM 1517 CG GLN A 102 11.517 2.846 4.263 1.00 24.35 C ATOM 1518 CD GLN A 102 10.291 2.014 3.942 1.00 13.50 C ATOM 1519 OE1 GLN A 102 10.401 0.870 3.501 1.00 1.43 O ATOM 1520 NE2 GLN A 102 9.113 2.587 4.164 1.00 64.43 N ATOM 0 H GLN A 102 11.782 6.315 2.334 1.00 32.43 H new ATOM 0 HA GLN A 102 12.220 3.534 1.783 1.00 3.40 H new ATOM 0 HB2 GLN A 102 12.292 4.826 4.035 1.00 44.42 H new ATOM 0 HB3 GLN A 102 10.543 4.733 4.007 1.00 44.42 H new ATOM 0 HG2 GLN A 102 12.405 2.336 3.891 1.00 24.35 H new ATOM 0 HG3 GLN A 102 11.625 2.925 5.345 1.00 24.35 H new ATOM 0 HE21 GLN A 102 9.069 3.538 4.531 1.00 64.43 H new ATOM 0 HE22 GLN A 102 8.252 2.076 3.968 1.00 64.43 H new ATOM 1529 N LEU A 103 9.200 4.796 1.502 1.00 4.43 N ATOM 1530 CA LEU A 103 7.857 4.532 0.998 1.00 74.41 C ATOM 1531 C LEU A 103 7.906 3.996 -0.429 1.00 23.23 C ATOM 1532 O LEU A 103 7.118 3.127 -0.803 1.00 64.42 O ATOM 1533 CB LEU A 103 7.012 5.806 1.047 1.00 11.04 C ATOM 1534 CG LEU A 103 5.734 5.731 1.883 1.00 54.43 C ATOM 1535 CD1 LEU A 103 5.386 7.099 2.450 1.00 20.11 C ATOM 1536 CD2 LEU A 103 4.582 5.190 1.050 1.00 23.30 C ATOM 0 H LEU A 103 9.365 5.765 1.774 1.00 4.43 H new ATOM 0 HA LEU A 103 7.400 3.775 1.635 1.00 74.41 H new ATOM 0 HB2 LEU A 103 7.631 6.614 1.437 1.00 11.04 H new ATOM 0 HB3 LEU A 103 6.740 6.077 0.027 1.00 11.04 H new ATOM 0 HG LEU A 103 5.907 5.048 2.715 1.00 54.43 H new ATOM 0 HD11 LEU A 103 4.474 7.026 3.042 1.00 20.11 H new ATOM 0 HD12 LEU A 103 6.202 7.449 3.082 1.00 20.11 H new ATOM 0 HD13 LEU A 103 5.233 7.803 1.632 1.00 20.11 H new ATOM 0 HD21 LEU A 103 3.681 5.144 1.662 1.00 23.30 H new ATOM 0 HD22 LEU A 103 4.409 5.847 0.198 1.00 23.30 H new ATOM 0 HD23 LEU A 103 4.829 4.190 0.692 1.00 23.30 H new ATOM 1548 N GLN A 104 8.838 4.518 -1.219 1.00 65.45 N ATOM 1549 CA GLN A 104 8.991 4.088 -2.605 1.00 2.31 C ATOM 1550 C GLN A 104 9.454 2.637 -2.679 1.00 13.31 C ATOM 1551 O GLN A 104 9.044 1.888 -3.565 1.00 72.23 O ATOM 1552 CB GLN A 104 9.989 4.992 -3.333 1.00 62.44 C ATOM 1553 CG GLN A 104 10.063 4.735 -4.830 1.00 42.41 C ATOM 1554 CD GLN A 104 9.719 5.962 -5.649 1.00 53.34 C ATOM 1555 OE1 GLN A 104 10.434 6.964 -5.621 1.00 14.44 O ATOM 1556 NE2 GLN A 104 8.618 5.891 -6.389 1.00 13.33 N ATOM 0 H GLN A 104 9.498 5.238 -0.925 1.00 65.45 H new ATOM 0 HA GLN A 104 8.019 4.164 -3.092 1.00 2.31 H new ATOM 0 HB2 GLN A 104 9.713 6.033 -3.165 1.00 62.44 H new ATOM 0 HB3 GLN A 104 10.979 4.850 -2.899 1.00 62.44 H new ATOM 0 HG2 GLN A 104 11.068 4.400 -5.088 1.00 42.41 H new ATOM 0 HG3 GLN A 104 9.381 3.926 -5.090 1.00 42.41 H new ATOM 0 HE21 GLN A 104 8.054 5.041 -6.383 1.00 13.33 H new ATOM 0 HE22 GLN A 104 8.337 6.686 -6.963 1.00 13.33 H new ATOM 1565 N LYS A 105 10.310 2.246 -1.741 1.00 21.15 N ATOM 1566 CA LYS A 105 10.828 0.884 -1.698 1.00 44.52 C ATOM 1567 C LYS A 105 9.729 -0.105 -1.326 1.00 31.11 C ATOM 1568 O LYS A 105 9.565 -1.138 -1.976 1.00 32.21 O ATOM 1569 CB LYS A 105 11.979 0.786 -0.693 1.00 22.24 C ATOM 1570 CG LYS A 105 13.318 1.230 -1.256 1.00 50.44 C ATOM 1571 CD LYS A 105 14.443 0.314 -0.807 1.00 64.41 C ATOM 1572 CE LYS A 105 15.684 0.494 -1.668 1.00 22.53 C ATOM 1573 NZ LYS A 105 16.875 -0.172 -1.071 1.00 3.33 N ATOM 0 H LYS A 105 10.660 2.854 -1.000 1.00 21.15 H new ATOM 0 HA LYS A 105 11.198 0.631 -2.692 1.00 44.52 H new ATOM 0 HB2 LYS A 105 11.741 1.395 0.179 1.00 22.24 H new ATOM 0 HB3 LYS A 105 12.063 -0.245 -0.349 1.00 22.24 H new ATOM 0 HG2 LYS A 105 13.270 1.242 -2.345 1.00 50.44 H new ATOM 0 HG3 LYS A 105 13.528 2.250 -0.935 1.00 50.44 H new ATOM 0 HD2 LYS A 105 14.688 0.521 0.235 1.00 64.41 H new ATOM 0 HD3 LYS A 105 14.111 -0.723 -0.857 1.00 64.41 H new ATOM 0 HE2 LYS A 105 15.499 0.085 -2.661 1.00 22.53 H new ATOM 0 HE3 LYS A 105 15.888 1.557 -1.794 1.00 22.53 H new ATOM 0 HZ1 LYS A 105 17.700 -0.026 -1.688 1.00 3.33 H new ATOM 0 HZ2 LYS A 105 17.067 0.235 -0.134 1.00 3.33 H new ATOM 0 HZ3 LYS A 105 16.691 -1.191 -0.974 1.00 3.33 H new ATOM 1587 N ILE A 106 8.978 0.219 -0.279 1.00 13.33 N ATOM 1588 CA ILE A 106 7.892 -0.640 0.177 1.00 64.41 C ATOM 1589 C ILE A 106 6.735 -0.638 -0.816 1.00 72.40 C ATOM 1590 O ILE A 106 6.174 -1.687 -1.134 1.00 1.23 O ATOM 1591 CB ILE A 106 7.370 -0.203 1.557 1.00 35.43 C ATOM 1592 CG1 ILE A 106 6.229 -1.118 2.010 1.00 40.21 C ATOM 1593 CG2 ILE A 106 6.907 1.246 1.513 1.00 31.33 C ATOM 1594 CD1 ILE A 106 5.599 -0.698 3.320 1.00 62.23 C ATOM 0 H ILE A 106 9.102 1.070 0.270 1.00 13.33 H new ATOM 0 HA ILE A 106 8.299 -1.648 0.255 1.00 64.41 H new ATOM 0 HB ILE A 106 8.183 -0.284 2.278 1.00 35.43 H new ATOM 0 HG12 ILE A 106 5.461 -1.137 1.237 1.00 40.21 H new ATOM 0 HG13 ILE A 106 6.608 -2.135 2.108 1.00 40.21 H new ATOM 0 HG21 ILE A 106 6.540 1.541 2.496 1.00 31.33 H new ATOM 0 HG22 ILE A 106 7.742 1.886 1.230 1.00 31.33 H new ATOM 0 HG23 ILE A 106 6.106 1.350 0.781 1.00 31.33 H new ATOM 0 HD11 ILE A 106 4.799 -1.392 3.578 1.00 62.23 H new ATOM 0 HD12 ILE A 106 6.354 -0.706 4.106 1.00 62.23 H new ATOM 0 HD13 ILE A 106 5.190 0.307 3.221 1.00 62.23 H new ATOM 1606 N ARG A 107 6.385 0.546 -1.307 1.00 14.33 N ATOM 1607 CA ARG A 107 5.295 0.686 -2.265 1.00 64.42 C ATOM 1608 C ARG A 107 5.661 0.043 -3.599 1.00 64.33 C ATOM 1609 O ARG A 107 4.788 -0.407 -4.343 1.00 22.22 O ATOM 1610 CB ARG A 107 4.957 2.162 -2.474 1.00 1.12 C ATOM 1611 CG ARG A 107 5.876 2.865 -3.460 1.00 24.14 C ATOM 1612 CD ARG A 107 5.313 2.826 -4.872 1.00 42.31 C ATOM 1613 NE ARG A 107 6.367 2.842 -5.882 1.00 41.22 N ATOM 1614 CZ ARG A 107 6.151 3.114 -7.165 1.00 64.24 C ATOM 1615 NH1 ARG A 107 4.925 3.388 -7.591 1.00 3.45 N ATOM 1616 NH2 ARG A 107 7.161 3.109 -8.025 1.00 4.44 N ATOM 0 H ARG A 107 6.841 1.423 -1.057 1.00 14.33 H new ATOM 0 HA ARG A 107 4.421 0.175 -1.861 1.00 64.42 H new ATOM 0 HB2 ARG A 107 3.929 2.244 -2.827 1.00 1.12 H new ATOM 0 HB3 ARG A 107 5.006 2.676 -1.514 1.00 1.12 H new ATOM 0 HG2 ARG A 107 6.017 3.901 -3.152 1.00 24.14 H new ATOM 0 HG3 ARG A 107 6.858 2.391 -3.445 1.00 24.14 H new ATOM 0 HD2 ARG A 107 4.706 1.929 -4.996 1.00 42.31 H new ATOM 0 HD3 ARG A 107 4.653 3.680 -5.023 1.00 42.31 H new ATOM 0 HE ARG A 107 7.321 2.633 -5.587 1.00 41.22 H new ATOM 0 HH11 ARG A 107 4.145 3.390 -6.933 1.00 3.45 H new ATOM 0 HH12 ARG A 107 4.762 3.596 -8.576 1.00 3.45 H new ATOM 0 HH21 ARG A 107 8.105 2.896 -7.702 1.00 4.44 H new ATOM 0 HH22 ARG A 107 6.994 3.318 -9.009 1.00 4.44 H new ATOM 1630 N ASP A 108 6.955 0.003 -3.898 1.00 34.12 N ATOM 1631 CA ASP A 108 7.435 -0.585 -5.142 1.00 43.13 C ATOM 1632 C ASP A 108 7.023 -2.050 -5.246 1.00 32.33 C ATOM 1633 O ASP A 108 6.721 -2.545 -6.332 1.00 61.44 O ATOM 1634 CB ASP A 108 8.957 -0.461 -5.235 1.00 74.41 C ATOM 1635 CG ASP A 108 9.546 -1.357 -6.308 1.00 13.04 C ATOM 1636 OD1 ASP A 108 9.627 -0.914 -7.473 1.00 64.20 O ATOM 1637 OD2 ASP A 108 9.927 -2.501 -5.983 1.00 54.10 O ATOM 0 H ASP A 108 7.690 0.371 -3.295 1.00 34.12 H new ATOM 0 HA ASP A 108 6.983 -0.041 -5.971 1.00 43.13 H new ATOM 0 HB2 ASP A 108 9.222 0.575 -5.445 1.00 74.41 H new ATOM 0 HB3 ASP A 108 9.399 -0.714 -4.271 1.00 74.41 H new ATOM 1642 N LEU A 109 7.016 -2.738 -4.110 1.00 31.32 N ATOM 1643 CA LEU A 109 6.643 -4.148 -4.073 1.00 14.14 C ATOM 1644 C LEU A 109 5.183 -4.335 -4.473 1.00 75.13 C ATOM 1645 O LEU A 109 4.856 -5.212 -5.273 1.00 3.20 O ATOM 1646 CB LEU A 109 6.875 -4.721 -2.673 1.00 44.20 C ATOM 1647 CG LEU A 109 8.190 -5.476 -2.469 1.00 74.52 C ATOM 1648 CD1 LEU A 109 9.259 -4.546 -1.915 1.00 23.42 C ATOM 1649 CD2 LEU A 109 7.983 -6.665 -1.542 1.00 10.02 C ATOM 0 H LEU A 109 7.264 -2.343 -3.203 1.00 31.32 H new ATOM 0 HA LEU A 109 7.269 -4.683 -4.787 1.00 14.14 H new ATOM 0 HB2 LEU A 109 6.834 -3.902 -1.955 1.00 44.20 H new ATOM 0 HB3 LEU A 109 6.051 -5.394 -2.436 1.00 44.20 H new ATOM 0 HG LEU A 109 8.527 -5.848 -3.436 1.00 74.52 H new ATOM 0 HD11 LEU A 109 10.187 -5.100 -1.776 1.00 23.42 H new ATOM 0 HD12 LEU A 109 9.427 -3.727 -2.614 1.00 23.42 H new ATOM 0 HD13 LEU A 109 8.930 -4.144 -0.957 1.00 23.42 H new ATOM 0 HD21 LEU A 109 8.928 -7.191 -1.408 1.00 10.02 H new ATOM 0 HD22 LEU A 109 7.623 -6.314 -0.575 1.00 10.02 H new ATOM 0 HD23 LEU A 109 7.250 -7.343 -1.978 1.00 10.02 H new ATOM 1661 N ILE A 110 4.310 -3.504 -3.914 1.00 32.43 N ATOM 1662 CA ILE A 110 2.885 -3.576 -4.216 1.00 42.22 C ATOM 1663 C ILE A 110 2.604 -3.135 -5.649 1.00 73.12 C ATOM 1664 O ILE A 110 1.740 -3.694 -6.322 1.00 0.33 O ATOM 1665 CB ILE A 110 2.060 -2.704 -3.250 1.00 65.33 C ATOM 1666 CG1 ILE A 110 2.242 -3.188 -1.810 1.00 60.12 C ATOM 1667 CG2 ILE A 110 0.590 -2.728 -3.641 1.00 73.44 C ATOM 1668 CD1 ILE A 110 3.402 -2.533 -1.095 1.00 22.31 C ATOM 0 H ILE A 110 4.564 -2.773 -3.250 1.00 32.43 H new ATOM 0 HA ILE A 110 2.588 -4.618 -4.095 1.00 42.22 H new ATOM 0 HB ILE A 110 2.417 -1.676 -3.315 1.00 65.33 H new ATOM 0 HG12 ILE A 110 1.326 -2.995 -1.252 1.00 60.12 H new ATOM 0 HG13 ILE A 110 2.391 -4.268 -1.814 1.00 60.12 H new ATOM 0 HG21 ILE A 110 0.019 -2.108 -2.950 1.00 73.44 H new ATOM 0 HG22 ILE A 110 0.477 -2.341 -4.654 1.00 73.44 H new ATOM 0 HG23 ILE A 110 0.219 -3.752 -3.600 1.00 73.44 H new ATOM 0 HD11 ILE A 110 3.471 -2.924 -0.080 1.00 22.31 H new ATOM 0 HD12 ILE A 110 4.327 -2.747 -1.630 1.00 22.31 H new ATOM 0 HD13 ILE A 110 3.245 -1.455 -1.059 1.00 22.31 H new ATOM 1680 N ALA A 111 3.341 -2.129 -6.106 1.00 43.33 N ATOM 1681 CA ALA A 111 3.173 -1.615 -7.461 1.00 4.50 C ATOM 1682 C ALA A 111 3.373 -2.717 -8.495 1.00 42.11 C ATOM 1683 O ALA A 111 2.580 -2.857 -9.427 1.00 33.13 O ATOM 1684 CB ALA A 111 4.143 -0.469 -7.714 1.00 21.23 C ATOM 0 H ALA A 111 4.059 -1.654 -5.560 1.00 43.33 H new ATOM 0 HA ALA A 111 2.153 -1.243 -7.558 1.00 4.50 H new ATOM 0 HB1 ALA A 111 4.007 -0.095 -8.729 1.00 21.23 H new ATOM 0 HB2 ALA A 111 3.951 0.334 -7.002 1.00 21.23 H new ATOM 0 HB3 ALA A 111 5.166 -0.825 -7.592 1.00 21.23 H new ATOM 1690 N ILE A 112 4.435 -3.496 -8.326 1.00 2.10 N ATOM 1691 CA ILE A 112 4.738 -4.586 -9.245 1.00 11.33 C ATOM 1692 C ILE A 112 3.787 -5.760 -9.037 1.00 33.12 C ATOM 1693 O ILE A 112 3.403 -6.437 -9.990 1.00 41.42 O ATOM 1694 CB ILE A 112 6.188 -5.078 -9.078 1.00 71.05 C ATOM 1695 CG1 ILE A 112 6.486 -6.201 -10.073 1.00 61.34 C ATOM 1696 CG2 ILE A 112 6.426 -5.548 -7.651 1.00 30.32 C ATOM 1697 CD1 ILE A 112 6.276 -7.586 -9.501 1.00 4.31 C ATOM 0 H ILE A 112 5.101 -3.393 -7.560 1.00 2.10 H new ATOM 0 HA ILE A 112 4.611 -4.193 -10.254 1.00 11.33 H new ATOM 0 HB ILE A 112 6.864 -4.248 -9.283 1.00 71.05 H new ATOM 0 HG12 ILE A 112 5.849 -6.078 -10.949 1.00 61.34 H new ATOM 0 HG13 ILE A 112 7.517 -6.110 -10.413 1.00 61.34 H new ATOM 0 HG21 ILE A 112 7.455 -5.893 -7.548 1.00 30.32 H new ATOM 0 HG22 ILE A 112 6.249 -4.722 -6.962 1.00 30.32 H new ATOM 0 HG23 ILE A 112 5.744 -6.366 -7.419 1.00 30.32 H new ATOM 0 HD11 ILE A 112 6.506 -8.332 -10.261 1.00 4.31 H new ATOM 0 HD12 ILE A 112 6.932 -7.728 -8.643 1.00 4.31 H new ATOM 0 HD13 ILE A 112 5.238 -7.696 -9.186 1.00 4.31 H new ATOM 1709 N GLU A 113 3.411 -5.994 -7.784 1.00 33.14 N ATOM 1710 CA GLU A 113 2.505 -7.087 -7.451 1.00 15.11 C ATOM 1711 C GLU A 113 1.139 -6.879 -8.101 1.00 21.01 C ATOM 1712 O GLU A 113 0.469 -7.838 -8.483 1.00 62.35 O ATOM 1713 CB GLU A 113 2.346 -7.203 -5.933 1.00 32.40 C ATOM 1714 CG GLU A 113 2.028 -8.612 -5.461 1.00 33.33 C ATOM 1715 CD GLU A 113 3.272 -9.407 -5.115 1.00 2.51 C ATOM 1716 OE1 GLU A 113 4.303 -9.222 -5.796 1.00 14.23 O ATOM 1717 OE2 GLU A 113 3.215 -10.213 -4.164 1.00 63.40 O ATOM 0 H GLU A 113 3.719 -5.442 -6.983 1.00 33.14 H new ATOM 0 HA GLU A 113 2.935 -8.011 -7.836 1.00 15.11 H new ATOM 0 HB2 GLU A 113 3.265 -6.867 -5.453 1.00 32.40 H new ATOM 0 HB3 GLU A 113 1.552 -6.531 -5.607 1.00 32.40 H new ATOM 0 HG2 GLU A 113 1.380 -8.560 -4.586 1.00 33.33 H new ATOM 0 HG3 GLU A 113 1.472 -9.135 -6.239 1.00 33.33 H new ATOM 1724 N ARG A 114 0.735 -5.619 -8.223 1.00 32.24 N ATOM 1725 CA ARG A 114 -0.550 -5.283 -8.826 1.00 22.25 C ATOM 1726 C ARG A 114 -0.661 -5.870 -10.230 1.00 60.42 C ATOM 1727 O ARG A 114 -1.656 -6.509 -10.571 1.00 15.53 O ATOM 1728 CB ARG A 114 -0.731 -3.765 -8.878 1.00 32.41 C ATOM 1729 CG ARG A 114 -1.281 -3.173 -7.591 1.00 72.45 C ATOM 1730 CD ARG A 114 -0.805 -1.743 -7.390 1.00 70.01 C ATOM 1731 NE ARG A 114 -1.122 -0.894 -8.535 1.00 61.22 N ATOM 1732 CZ ARG A 114 -1.200 0.431 -8.470 1.00 31.31 C ATOM 1733 NH1 ARG A 114 -0.987 1.054 -7.319 1.00 0.15 N ATOM 1734 NH2 ARG A 114 -1.492 1.133 -9.556 1.00 32.01 N ATOM 0 H ARG A 114 1.279 -4.814 -7.912 1.00 32.24 H new ATOM 0 HA ARG A 114 -1.338 -5.714 -8.208 1.00 22.25 H new ATOM 0 HB2 ARG A 114 0.230 -3.300 -9.100 1.00 32.41 H new ATOM 0 HB3 ARG A 114 -1.403 -3.516 -9.699 1.00 32.41 H new ATOM 0 HG2 ARG A 114 -2.371 -3.195 -7.615 1.00 72.45 H new ATOM 0 HG3 ARG A 114 -0.968 -3.785 -6.745 1.00 72.45 H new ATOM 0 HD2 ARG A 114 -1.267 -1.330 -6.494 1.00 70.01 H new ATOM 0 HD3 ARG A 114 0.272 -1.740 -7.224 1.00 70.01 H new ATOM 0 HE ARG A 114 -1.293 -1.343 -9.435 1.00 61.22 H new ATOM 0 HH11 ARG A 114 -0.763 0.516 -6.482 1.00 0.15 H new ATOM 0 HH12 ARG A 114 -1.047 2.071 -7.271 1.00 0.15 H new ATOM 0 HH21 ARG A 114 -1.657 0.656 -10.442 1.00 32.01 H new ATOM 0 HH22 ARG A 114 -1.552 2.150 -9.505 1.00 32.01 H new ATOM 1748 N SER A 115 0.368 -5.646 -11.042 1.00 35.13 N ATOM 1749 CA SER A 115 0.384 -6.148 -12.411 1.00 71.11 C ATOM 1750 C SER A 115 0.605 -7.657 -12.434 1.00 42.32 C ATOM 1751 O SER A 115 0.083 -8.359 -13.300 1.00 62.41 O ATOM 1752 CB SER A 115 1.476 -5.448 -13.220 1.00 62.15 C ATOM 1753 OG SER A 115 1.925 -4.275 -12.564 1.00 3.15 O ATOM 0 H SER A 115 1.201 -5.121 -10.775 1.00 35.13 H new ATOM 0 HA SER A 115 -0.585 -5.934 -12.862 1.00 71.11 H new ATOM 0 HB2 SER A 115 2.314 -6.128 -13.370 1.00 62.15 H new ATOM 0 HB3 SER A 115 1.093 -5.192 -14.208 1.00 62.15 H new ATOM 0 HG SER A 115 2.624 -3.847 -13.101 1.00 3.15 H new ATOM 1759 N SER A 116 1.384 -8.148 -11.476 1.00 33.14 N ATOM 1760 CA SER A 116 1.679 -9.575 -11.387 1.00 1.42 C ATOM 1761 C SER A 116 0.404 -10.379 -11.158 1.00 35.10 C ATOM 1762 O SER A 116 0.283 -11.515 -11.618 1.00 1.44 O ATOM 1763 CB SER A 116 2.675 -9.841 -10.256 1.00 42.01 C ATOM 1764 OG SER A 116 3.872 -10.410 -10.755 1.00 21.52 O ATOM 0 H SER A 116 1.822 -7.580 -10.751 1.00 33.14 H new ATOM 0 HA SER A 116 2.121 -9.890 -12.332 1.00 1.42 H new ATOM 0 HB2 SER A 116 2.900 -8.908 -9.738 1.00 42.01 H new ATOM 0 HB3 SER A 116 2.227 -10.512 -9.523 1.00 42.01 H new ATOM 0 HG SER A 116 4.493 -10.569 -10.013 1.00 21.52 H new ATOM 1770 N ARG A 117 -0.546 -9.783 -10.444 1.00 24.33 N ATOM 1771 CA ARG A 117 -1.810 -10.445 -10.152 1.00 34.44 C ATOM 1772 C ARG A 117 -2.733 -10.417 -11.368 1.00 2.44 C ATOM 1773 O ARG A 117 -3.581 -11.293 -11.537 1.00 54.24 O ATOM 1774 CB ARG A 117 -2.499 -9.773 -8.961 1.00 64.35 C ATOM 1775 CG ARG A 117 -3.788 -10.457 -8.539 1.00 73.41 C ATOM 1776 CD ARG A 117 -5.008 -9.633 -8.922 1.00 52.33 C ATOM 1777 NE ARG A 117 -6.044 -10.447 -9.552 1.00 63.24 N ATOM 1778 CZ ARG A 117 -7.120 -9.939 -10.141 1.00 73.34 C ATOM 1779 NH1 ARG A 117 -7.302 -8.626 -10.179 1.00 34.34 N ATOM 1780 NH2 ARG A 117 -8.018 -10.746 -10.692 1.00 41.33 N ATOM 0 H ARG A 117 -0.463 -8.843 -10.058 1.00 24.33 H new ATOM 0 HA ARG A 117 -1.597 -11.484 -9.902 1.00 34.44 H new ATOM 0 HB2 ARG A 117 -1.812 -9.758 -8.115 1.00 64.35 H new ATOM 0 HB3 ARG A 117 -2.714 -8.735 -9.215 1.00 64.35 H new ATOM 0 HG2 ARG A 117 -3.850 -11.439 -9.007 1.00 73.41 H new ATOM 0 HG3 ARG A 117 -3.780 -10.617 -7.461 1.00 73.41 H new ATOM 0 HD2 ARG A 117 -5.415 -9.154 -8.032 1.00 52.33 H new ATOM 0 HD3 ARG A 117 -4.708 -8.837 -9.604 1.00 52.33 H new ATOM 0 HE ARG A 117 -5.935 -11.461 -9.539 1.00 63.24 H new ATOM 0 HH11 ARG A 117 -6.614 -8.003 -9.755 1.00 34.34 H new ATOM 0 HH12 ARG A 117 -8.130 -8.239 -10.632 1.00 34.34 H new ATOM 0 HH21 ARG A 117 -7.882 -11.756 -10.663 1.00 41.33 H new ATOM 0 HH22 ARG A 117 -8.845 -10.356 -11.145 1.00 41.33 H new