USER MOD reduce.3.24.130724 H: found=0, std=0, add=942, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 940 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 49 GLN : amide:sc= 0.223 K(o=0.47,f=-0.47) USER MOD Set 1.2: A 54 HIS : no HE2:sc= 0.245 K(o=0.47,f=-1.7) USER MOD Single : A 29 THR OG1 : rot -78:sc= 0.783 USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 180:sc= -0.176 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 GLN : amide:sc= -0.175 K(o=-0.17,f=-0.75) USER MOD Single : A 68 GLN :FLIP amide:sc= -0.1 F(o=-1.8!,f=-0.1) USER MOD Single : A 72 THR OG1 : rot -79:sc= 1.17 USER MOD Single : A 73 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= 0 K(o=0,f=-0.63) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot 79:sc= 1.31 USER MOD Single : A 89 HIS : no HD1:sc= -0.0661 X(o=-0.066,f=-0.17) USER MOD Single : A 93 TYR OH : rot -102:sc= 0.358 USER MOD Single : A 96 THR OG1 : rot 26:sc= 1.14 USER MOD Single : A 99 MET CE :methyl 174:sc= -2.22 (180deg=-2.4) USER MOD Single : A 104 THR OG1 : rot 59:sc= 1.23 USER MOD Single : A 108 SER OG : rot 9:sc= 1.23 USER MOD Single : A 110 THR OG1 : rot 180:sc= 0 USER MOD Single : A 121 SER OG : rot 180:sc= 0.0789 USER MOD Single : A 122 ASN : amide:sc= -3.02! C(o=-3!,f=-5.4!) USER MOD Single : A 130 HIS : no HE2:sc= -1.33 K(o=-1.3,f=-4.7!) USER MOD Single : A 132 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 133 GLN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : A 142 GLN : amide:sc= -1.61 X(o=-1.6,f=-1.3) USER MOD Single : A 144 MET CE :methyl 145:sc= 0 (180deg=-0.592) USER MOD Single : A 146 TYR OH : rot 29:sc= 1.27 USER MOD ----------------------------------------------------------------- ATOM 239 N ALA A 18 -8.775 3.941 -5.306 1.00 64.51 N ATOM 240 CA ALA A 18 -7.451 3.419 -5.467 1.00 74.41 C ATOM 241 C ALA A 18 -6.573 4.424 -6.183 1.00 34.41 C ATOM 242 O ALA A 18 -6.982 5.021 -7.192 1.00 60.33 O ATOM 243 CB ALA A 18 -7.505 2.120 -6.205 1.00 12.30 C ATOM 0 HA ALA A 18 -7.013 3.236 -4.486 1.00 74.41 H new ATOM 0 HB1 ALA A 18 -6.495 1.727 -6.325 1.00 12.30 H new ATOM 0 HB2 ALA A 18 -8.107 1.407 -5.642 1.00 12.30 H new ATOM 0 HB3 ALA A 18 -7.952 2.278 -7.187 1.00 12.30 H new ATOM 249 N GLY A 19 -5.398 4.626 -5.638 1.00 73.01 N ATOM 250 CA GLY A 19 -4.512 5.646 -6.113 1.00 23.53 C ATOM 251 C GLY A 19 -3.660 5.253 -7.291 1.00 34.21 C ATOM 252 O GLY A 19 -3.881 4.208 -7.938 1.00 25.43 O ATOM 0 H GLY A 19 -5.035 4.085 -4.853 1.00 73.01 H new ATOM 0 HA2 GLY A 19 -5.103 6.520 -6.387 1.00 23.53 H new ATOM 0 HA3 GLY A 19 -3.857 5.947 -5.295 1.00 23.53 H new ATOM 256 N ASP A 20 -2.645 6.060 -7.520 1.00 53.35 N ATOM 257 CA ASP A 20 -1.790 5.945 -8.690 1.00 32.23 C ATOM 258 C ASP A 20 -0.720 4.912 -8.482 1.00 54.43 C ATOM 259 O ASP A 20 0.161 5.076 -7.642 1.00 40.03 O ATOM 260 CB ASP A 20 -1.182 7.298 -9.043 1.00 32.30 C ATOM 261 CG ASP A 20 -0.208 7.249 -10.205 1.00 63.42 C ATOM 262 OD1 ASP A 20 -0.638 7.012 -11.344 1.00 62.14 O ATOM 263 OD2 ASP A 20 0.997 7.531 -10.008 1.00 1.02 O ATOM 0 H ASP A 20 -2.385 6.823 -6.895 1.00 53.35 H new ATOM 0 HA ASP A 20 -2.406 5.617 -9.528 1.00 32.23 H new ATOM 0 HB2 ASP A 20 -1.985 7.995 -9.284 1.00 32.30 H new ATOM 0 HB3 ASP A 20 -0.668 7.694 -8.167 1.00 32.30 H new ATOM 268 N ASP A 21 -0.835 3.853 -9.242 1.00 13.33 N ATOM 269 CA ASP A 21 0.056 2.697 -9.205 1.00 3.54 C ATOM 270 C ASP A 21 1.543 3.062 -9.181 1.00 54.01 C ATOM 271 O ASP A 21 2.084 3.660 -10.108 1.00 34.31 O ATOM 272 CB ASP A 21 -0.259 1.715 -10.370 1.00 40.22 C ATOM 273 CG ASP A 21 -0.216 2.350 -11.764 1.00 1.54 C ATOM 274 OD1 ASP A 21 -1.181 3.047 -12.149 1.00 31.42 O ATOM 275 OD2 ASP A 21 0.768 2.162 -12.507 1.00 13.33 O ATOM 0 H ASP A 21 -1.578 3.758 -9.935 1.00 13.33 H new ATOM 0 HA ASP A 21 -0.142 2.198 -8.256 1.00 3.54 H new ATOM 0 HB2 ASP A 21 0.454 0.891 -10.337 1.00 40.22 H new ATOM 0 HB3 ASP A 21 -1.248 1.286 -10.210 1.00 40.22 H new ATOM 280 N VAL A 22 2.171 2.784 -8.059 1.00 10.33 N ATOM 281 CA VAL A 22 3.610 2.931 -7.941 1.00 61.42 C ATOM 282 C VAL A 22 4.250 1.645 -8.417 1.00 72.21 C ATOM 283 O VAL A 22 5.282 1.650 -9.086 1.00 64.41 O ATOM 284 CB VAL A 22 4.049 3.237 -6.482 1.00 42.25 C ATOM 285 CG1 VAL A 22 5.571 3.276 -6.366 1.00 44.33 C ATOM 286 CG2 VAL A 22 3.461 4.567 -6.032 1.00 30.12 C ATOM 0 H VAL A 22 1.708 2.454 -7.212 1.00 10.33 H new ATOM 0 HA VAL A 22 3.931 3.776 -8.550 1.00 61.42 H new ATOM 0 HB VAL A 22 3.677 2.440 -5.838 1.00 42.25 H new ATOM 0 HG11 VAL A 22 5.852 3.492 -5.335 1.00 44.33 H new ATOM 0 HG12 VAL A 22 5.983 2.311 -6.660 1.00 44.33 H new ATOM 0 HG13 VAL A 22 5.966 4.053 -7.020 1.00 44.33 H new ATOM 0 HG21 VAL A 22 3.773 4.775 -5.008 1.00 30.12 H new ATOM 0 HG22 VAL A 22 3.815 5.362 -6.688 1.00 30.12 H new ATOM 0 HG23 VAL A 22 2.373 4.518 -6.077 1.00 30.12 H new ATOM 296 N LEU A 23 3.603 0.550 -8.090 1.00 24.51 N ATOM 297 CA LEU A 23 4.047 -0.757 -8.507 1.00 24.11 C ATOM 298 C LEU A 23 3.775 -0.986 -9.994 1.00 74.02 C ATOM 299 O LEU A 23 3.013 -0.239 -10.615 1.00 63.21 O ATOM 300 CB LEU A 23 3.428 -1.891 -7.627 1.00 44.15 C ATOM 301 CG LEU A 23 1.918 -1.809 -7.218 1.00 32.04 C ATOM 302 CD1 LEU A 23 0.992 -1.644 -8.414 1.00 73.53 C ATOM 303 CD2 LEU A 23 1.519 -3.067 -6.464 1.00 21.24 C ATOM 0 H LEU A 23 2.753 0.542 -7.526 1.00 24.51 H new ATOM 0 HA LEU A 23 5.126 -0.795 -8.360 1.00 24.11 H new ATOM 0 HB2 LEU A 23 3.573 -2.832 -8.157 1.00 44.15 H new ATOM 0 HB3 LEU A 23 4.013 -1.949 -6.709 1.00 44.15 H new ATOM 0 HG LEU A 23 1.812 -0.926 -6.588 1.00 32.04 H new ATOM 0 HD11 LEU A 23 -0.041 -1.593 -8.070 1.00 73.53 H new ATOM 0 HD12 LEU A 23 1.243 -0.726 -8.945 1.00 73.53 H new ATOM 0 HD13 LEU A 23 1.109 -2.495 -9.085 1.00 73.53 H new ATOM 0 HD21 LEU A 23 0.468 -3.004 -6.182 1.00 21.24 H new ATOM 0 HD22 LEU A 23 1.672 -3.938 -7.102 1.00 21.24 H new ATOM 0 HD23 LEU A 23 2.130 -3.163 -5.567 1.00 21.24 H new ATOM 315 N ASP A 24 4.405 -1.994 -10.552 1.00 42.30 N ATOM 316 CA ASP A 24 4.184 -2.371 -11.945 1.00 64.15 C ATOM 317 C ASP A 24 2.774 -2.881 -12.118 1.00 31.41 C ATOM 318 O ASP A 24 2.210 -3.437 -11.172 1.00 53.24 O ATOM 319 CB ASP A 24 5.177 -3.449 -12.406 1.00 63.44 C ATOM 320 CG ASP A 24 6.523 -2.906 -12.800 1.00 62.35 C ATOM 321 OD1 ASP A 24 7.387 -2.722 -11.926 1.00 13.12 O ATOM 322 OD2 ASP A 24 6.752 -2.666 -14.010 1.00 1.22 O ATOM 0 H ASP A 24 5.083 -2.578 -10.063 1.00 42.30 H new ATOM 0 HA ASP A 24 4.339 -1.483 -12.558 1.00 64.15 H new ATOM 0 HB2 ASP A 24 5.309 -4.175 -11.604 1.00 63.44 H new ATOM 0 HB3 ASP A 24 4.750 -3.985 -13.253 1.00 63.44 H new ATOM 327 N PRO A 25 2.171 -2.704 -13.314 1.00 70.42 N ATOM 328 CA PRO A 25 0.801 -3.141 -13.579 1.00 73.31 C ATOM 329 C PRO A 25 0.550 -4.603 -13.199 1.00 62.02 C ATOM 330 O PRO A 25 -0.466 -4.918 -12.621 1.00 3.00 O ATOM 331 CB PRO A 25 0.630 -2.933 -15.081 1.00 22.21 C ATOM 332 CG PRO A 25 1.598 -1.859 -15.423 1.00 25.13 C ATOM 333 CD PRO A 25 2.763 -2.032 -14.491 1.00 54.10 C ATOM 0 HA PRO A 25 0.086 -2.579 -12.979 1.00 73.31 H new ATOM 0 HB2 PRO A 25 0.841 -3.848 -15.635 1.00 22.21 H new ATOM 0 HB3 PRO A 25 -0.391 -2.640 -15.327 1.00 22.21 H new ATOM 0 HG2 PRO A 25 1.916 -1.938 -16.463 1.00 25.13 H new ATOM 0 HG3 PRO A 25 1.146 -0.875 -15.302 1.00 25.13 H new ATOM 0 HD2 PRO A 25 3.551 -2.635 -14.942 1.00 54.10 H new ATOM 0 HD3 PRO A 25 3.208 -1.074 -14.224 1.00 54.10 H new ATOM 341 N ASP A 26 1.492 -5.470 -13.486 1.00 41.30 N ATOM 342 CA ASP A 26 1.341 -6.889 -13.167 1.00 24.01 C ATOM 343 C ASP A 26 2.149 -7.316 -11.962 1.00 11.32 C ATOM 344 O ASP A 26 2.512 -8.484 -11.835 1.00 20.11 O ATOM 345 CB ASP A 26 1.639 -7.787 -14.367 1.00 63.23 C ATOM 346 CG ASP A 26 0.470 -7.900 -15.312 1.00 3.00 C ATOM 347 OD1 ASP A 26 0.323 -7.044 -16.198 1.00 14.24 O ATOM 348 OD2 ASP A 26 -0.326 -8.862 -15.193 1.00 14.40 O ATOM 0 H ASP A 26 2.373 -5.228 -13.939 1.00 41.30 H new ATOM 0 HA ASP A 26 0.290 -7.016 -12.906 1.00 24.01 H new ATOM 0 HB2 ASP A 26 2.500 -7.392 -14.906 1.00 63.23 H new ATOM 0 HB3 ASP A 26 1.913 -8.781 -14.013 1.00 63.23 H new ATOM 353 N GLU A 27 2.415 -6.387 -11.064 1.00 45.42 N ATOM 354 CA GLU A 27 3.075 -6.710 -9.800 1.00 45.23 C ATOM 355 C GLU A 27 2.052 -7.541 -8.990 1.00 24.15 C ATOM 356 O GLU A 27 0.852 -7.227 -9.058 1.00 70.24 O ATOM 357 CB GLU A 27 3.401 -5.398 -9.052 1.00 4.11 C ATOM 358 CG GLU A 27 4.261 -5.517 -7.786 1.00 75.31 C ATOM 359 CD GLU A 27 5.712 -5.846 -8.065 1.00 12.35 C ATOM 360 OE1 GLU A 27 6.453 -4.976 -8.583 1.00 2.25 O ATOM 361 OE2 GLU A 27 6.154 -6.954 -7.763 1.00 65.25 O ATOM 0 H GLU A 27 2.187 -5.400 -11.180 1.00 45.42 H new ATOM 0 HA GLU A 27 4.005 -7.259 -9.948 1.00 45.23 H new ATOM 0 HB2 GLU A 27 3.909 -4.729 -9.746 1.00 4.11 H new ATOM 0 HB3 GLU A 27 2.460 -4.920 -8.780 1.00 4.11 H new ATOM 0 HG2 GLU A 27 4.210 -4.579 -7.233 1.00 75.31 H new ATOM 0 HG3 GLU A 27 3.840 -6.289 -7.142 1.00 75.31 H new ATOM 368 N PRO A 28 2.492 -8.637 -8.291 1.00 51.45 N ATOM 369 CA PRO A 28 1.624 -9.517 -7.485 1.00 22.13 C ATOM 370 C PRO A 28 0.504 -8.769 -6.757 1.00 10.30 C ATOM 371 O PRO A 28 0.752 -7.989 -5.828 1.00 51.12 O ATOM 372 CB PRO A 28 2.591 -10.142 -6.462 1.00 3.23 C ATOM 373 CG PRO A 28 3.974 -9.727 -6.881 1.00 63.45 C ATOM 374 CD PRO A 28 3.866 -9.130 -8.259 1.00 74.21 C ATOM 0 HA PRO A 28 1.108 -10.240 -8.117 1.00 22.13 H new ATOM 0 HB2 PRO A 28 2.369 -9.793 -5.454 1.00 3.23 H new ATOM 0 HB3 PRO A 28 2.497 -11.228 -6.451 1.00 3.23 H new ATOM 0 HG2 PRO A 28 4.386 -9.002 -6.180 1.00 63.45 H new ATOM 0 HG3 PRO A 28 4.647 -10.584 -6.886 1.00 63.45 H new ATOM 0 HD2 PRO A 28 4.587 -8.327 -8.410 1.00 74.21 H new ATOM 0 HD3 PRO A 28 4.048 -9.872 -9.037 1.00 74.21 H new ATOM 382 N THR A 29 -0.707 -8.986 -7.186 1.00 45.20 N ATOM 383 CA THR A 29 -1.838 -8.290 -6.647 1.00 20.31 C ATOM 384 C THR A 29 -3.017 -9.219 -6.386 1.00 44.22 C ATOM 385 O THR A 29 -2.956 -10.427 -6.650 1.00 74.54 O ATOM 386 CB THR A 29 -2.258 -7.144 -7.601 1.00 62.03 C ATOM 387 OG1 THR A 29 -2.006 -7.536 -8.959 1.00 32.30 O ATOM 388 CG2 THR A 29 -1.524 -5.844 -7.281 1.00 5.22 C ATOM 0 H THR A 29 -0.937 -9.653 -7.922 1.00 45.20 H new ATOM 0 HA THR A 29 -1.538 -7.873 -5.685 1.00 20.31 H new ATOM 0 HB THR A 29 -3.323 -6.959 -7.463 1.00 62.03 H new ATOM 0 HG1 THR A 29 -1.050 -7.447 -9.153 1.00 32.30 H new ATOM 0 HG21 THR A 29 -1.846 -5.065 -7.972 1.00 5.22 H new ATOM 0 HG22 THR A 29 -1.751 -5.540 -6.259 1.00 5.22 H new ATOM 0 HG23 THR A 29 -0.450 -5.998 -7.383 1.00 5.22 H new ATOM 396 N TYR A 30 -4.032 -8.660 -5.803 1.00 10.33 N ATOM 397 CA TYR A 30 -5.288 -9.292 -5.539 1.00 25.32 C ATOM 398 C TYR A 30 -6.375 -8.380 -6.034 1.00 32.00 C ATOM 399 O TYR A 30 -6.146 -7.200 -6.180 1.00 62.54 O ATOM 400 CB TYR A 30 -5.501 -9.581 -4.058 1.00 71.53 C ATOM 401 CG TYR A 30 -4.678 -10.707 -3.510 1.00 40.34 C ATOM 402 CD1 TYR A 30 -4.757 -11.973 -4.070 1.00 73.14 C ATOM 403 CD2 TYR A 30 -3.853 -10.519 -2.422 1.00 35.32 C ATOM 404 CE1 TYR A 30 -4.033 -13.021 -3.567 1.00 75.31 C ATOM 405 CE2 TYR A 30 -3.118 -11.559 -1.904 1.00 12.12 C ATOM 406 CZ TYR A 30 -3.207 -12.812 -2.478 1.00 13.22 C ATOM 407 OH TYR A 30 -2.466 -13.852 -1.958 1.00 3.34 O ATOM 0 H TYR A 30 -4.004 -7.693 -5.480 1.00 10.33 H new ATOM 0 HA TYR A 30 -5.305 -10.254 -6.052 1.00 25.32 H new ATOM 0 HB2 TYR A 30 -5.278 -8.677 -3.491 1.00 71.53 H new ATOM 0 HB3 TYR A 30 -6.555 -9.808 -3.895 1.00 71.53 H new ATOM 0 HD1 TYR A 30 -5.403 -12.136 -4.920 1.00 73.14 H new ATOM 0 HD2 TYR A 30 -3.783 -9.541 -1.970 1.00 35.32 H new ATOM 0 HE1 TYR A 30 -4.106 -14.000 -4.016 1.00 75.31 H new ATOM 0 HE2 TYR A 30 -2.474 -11.397 -1.052 1.00 12.12 H new ATOM 0 HH TYR A 30 -1.940 -13.530 -1.196 1.00 3.34 H new ATOM 417 N ASP A 31 -7.535 -8.899 -6.227 1.00 63.11 N ATOM 418 CA ASP A 31 -8.657 -8.144 -6.773 1.00 72.01 C ATOM 419 C ASP A 31 -9.791 -8.498 -5.857 1.00 72.25 C ATOM 420 O ASP A 31 -9.644 -9.460 -5.105 1.00 12.33 O ATOM 421 CB ASP A 31 -8.969 -8.644 -8.205 1.00 62.25 C ATOM 422 CG ASP A 31 -9.925 -7.757 -9.014 1.00 53.43 C ATOM 423 OD1 ASP A 31 -11.031 -7.432 -8.545 1.00 13.05 O ATOM 424 OD2 ASP A 31 -9.591 -7.422 -10.162 1.00 51.54 O ATOM 0 H ASP A 31 -7.757 -9.872 -6.014 1.00 63.11 H new ATOM 0 HA ASP A 31 -8.470 -7.072 -6.833 1.00 72.01 H new ATOM 0 HB2 ASP A 31 -8.031 -8.734 -8.753 1.00 62.25 H new ATOM 0 HB3 ASP A 31 -9.397 -9.644 -8.138 1.00 62.25 H new ATOM 429 N LEU A 32 -10.892 -7.776 -5.916 1.00 12.44 N ATOM 430 CA LEU A 32 -11.990 -7.886 -4.938 1.00 10.30 C ATOM 431 C LEU A 32 -12.402 -9.344 -4.627 1.00 14.10 C ATOM 432 O LEU A 32 -12.335 -9.747 -3.458 1.00 33.33 O ATOM 433 CB LEU A 32 -13.202 -7.013 -5.330 1.00 64.11 C ATOM 434 CG LEU A 32 -12.936 -5.507 -5.480 1.00 72.50 C ATOM 435 CD1 LEU A 32 -14.210 -4.780 -5.872 1.00 60.33 C ATOM 436 CD2 LEU A 32 -12.361 -4.918 -4.195 1.00 22.44 C ATOM 0 H LEU A 32 -11.065 -7.085 -6.646 1.00 12.44 H new ATOM 0 HA LEU A 32 -11.590 -7.491 -4.004 1.00 10.30 H new ATOM 0 HB2 LEU A 32 -13.601 -7.386 -6.273 1.00 64.11 H new ATOM 0 HB3 LEU A 32 -13.980 -7.150 -4.579 1.00 64.11 H new ATOM 0 HG LEU A 32 -12.198 -5.373 -6.271 1.00 72.50 H new ATOM 0 HD11 LEU A 32 -14.004 -3.714 -5.974 1.00 60.33 H new ATOM 0 HD12 LEU A 32 -14.575 -5.172 -6.821 1.00 60.33 H new ATOM 0 HD13 LEU A 32 -14.967 -4.931 -5.102 1.00 60.33 H new ATOM 0 HD21 LEU A 32 -12.183 -3.851 -4.331 1.00 22.44 H new ATOM 0 HD22 LEU A 32 -13.068 -5.067 -3.379 1.00 22.44 H new ATOM 0 HD23 LEU A 32 -11.421 -5.415 -3.956 1.00 22.44 H new ATOM 448 N PRO A 33 -12.778 -10.178 -5.653 1.00 2.14 N ATOM 449 CA PRO A 33 -13.121 -11.586 -5.419 1.00 44.33 C ATOM 450 C PRO A 33 -11.970 -12.356 -4.744 1.00 1.12 C ATOM 451 O PRO A 33 -12.193 -13.126 -3.817 1.00 44.33 O ATOM 452 CB PRO A 33 -13.396 -12.146 -6.831 1.00 34.34 C ATOM 453 CG PRO A 33 -12.832 -11.135 -7.773 1.00 13.25 C ATOM 454 CD PRO A 33 -12.949 -9.820 -7.082 1.00 33.52 C ATOM 0 HA PRO A 33 -13.972 -11.688 -4.745 1.00 44.33 H new ATOM 0 HB2 PRO A 33 -12.922 -13.118 -6.968 1.00 34.34 H new ATOM 0 HB3 PRO A 33 -14.464 -12.286 -6.997 1.00 34.34 H new ATOM 0 HG2 PRO A 33 -11.792 -11.360 -8.010 1.00 13.25 H new ATOM 0 HG3 PRO A 33 -13.380 -11.131 -8.715 1.00 13.25 H new ATOM 0 HD2 PRO A 33 -12.185 -9.119 -7.417 1.00 33.52 H new ATOM 0 HD3 PRO A 33 -13.915 -9.351 -7.268 1.00 33.52 H new ATOM 462 N ARG A 34 -10.738 -12.090 -5.180 1.00 52.41 N ATOM 463 CA ARG A 34 -9.550 -12.759 -4.641 1.00 53.44 C ATOM 464 C ARG A 34 -9.218 -12.330 -3.233 1.00 64.24 C ATOM 465 O ARG A 34 -8.713 -13.126 -2.452 1.00 73.30 O ATOM 466 CB ARG A 34 -8.308 -12.651 -5.548 1.00 2.03 C ATOM 467 CG ARG A 34 -8.300 -13.634 -6.703 1.00 41.50 C ATOM 468 CD ARG A 34 -9.401 -13.346 -7.699 1.00 1.13 C ATOM 469 NE ARG A 34 -9.630 -14.479 -8.584 1.00 31.25 N ATOM 470 CZ ARG A 34 -9.421 -14.505 -9.900 1.00 11.13 C ATOM 471 NH1 ARG A 34 -8.884 -13.457 -10.532 1.00 30.43 N ATOM 472 NH2 ARG A 34 -9.738 -15.596 -10.593 1.00 12.23 N ATOM 0 H ARG A 34 -10.535 -11.409 -5.912 1.00 52.41 H new ATOM 0 HA ARG A 34 -9.830 -13.812 -4.611 1.00 53.44 H new ATOM 0 HB2 ARG A 34 -8.249 -11.638 -5.946 1.00 2.03 H new ATOM 0 HB3 ARG A 34 -7.415 -12.809 -4.944 1.00 2.03 H new ATOM 0 HG2 ARG A 34 -7.335 -13.593 -7.208 1.00 41.50 H new ATOM 0 HG3 ARG A 34 -8.415 -14.647 -6.318 1.00 41.50 H new ATOM 0 HD2 ARG A 34 -10.322 -13.107 -7.166 1.00 1.13 H new ATOM 0 HD3 ARG A 34 -9.138 -12.469 -8.290 1.00 1.13 H new ATOM 0 HE ARG A 34 -9.984 -15.334 -8.156 1.00 31.25 H new ATOM 0 HH11 ARG A 34 -8.628 -12.621 -10.007 1.00 30.43 H new ATOM 0 HH12 ARG A 34 -8.731 -13.493 -11.540 1.00 30.43 H new ATOM 0 HH21 ARG A 34 -10.138 -16.404 -10.117 1.00 12.23 H new ATOM 0 HH22 ARG A 34 -9.581 -15.624 -11.600 1.00 12.23 H new ATOM 486 N VAL A 35 -9.459 -11.076 -2.913 1.00 74.45 N ATOM 487 CA VAL A 35 -9.206 -10.594 -1.560 1.00 34.10 C ATOM 488 C VAL A 35 -10.217 -11.210 -0.622 1.00 51.34 C ATOM 489 O VAL A 35 -9.869 -11.696 0.465 1.00 51.35 O ATOM 490 CB VAL A 35 -9.235 -9.046 -1.435 1.00 64.05 C ATOM 491 CG1 VAL A 35 -8.876 -8.611 -0.020 1.00 74.51 C ATOM 492 CG2 VAL A 35 -8.294 -8.404 -2.427 1.00 15.42 C ATOM 0 H VAL A 35 -9.825 -10.375 -3.558 1.00 74.45 H new ATOM 0 HA VAL A 35 -8.193 -10.898 -1.294 1.00 34.10 H new ATOM 0 HB VAL A 35 -10.250 -8.715 -1.657 1.00 64.05 H new ATOM 0 HG11 VAL A 35 -8.903 -7.523 0.044 1.00 74.51 H new ATOM 0 HG12 VAL A 35 -9.593 -9.034 0.684 1.00 74.51 H new ATOM 0 HG13 VAL A 35 -7.875 -8.964 0.226 1.00 74.51 H new ATOM 0 HG21 VAL A 35 -8.334 -7.320 -2.318 1.00 15.42 H new ATOM 0 HG22 VAL A 35 -7.277 -8.750 -2.241 1.00 15.42 H new ATOM 0 HG23 VAL A 35 -8.591 -8.678 -3.440 1.00 15.42 H new ATOM 502 N ALA A 36 -11.459 -11.225 -1.074 1.00 31.42 N ATOM 503 CA ALA A 36 -12.540 -11.836 -0.343 1.00 4.22 C ATOM 504 C ALA A 36 -12.252 -13.327 -0.158 1.00 41.04 C ATOM 505 O ALA A 36 -12.519 -13.898 0.894 1.00 72.24 O ATOM 506 CB ALA A 36 -13.851 -11.621 -1.091 1.00 15.22 C ATOM 0 H ALA A 36 -11.740 -10.810 -1.962 1.00 31.42 H new ATOM 0 HA ALA A 36 -12.628 -11.376 0.641 1.00 4.22 H new ATOM 0 HB1 ALA A 36 -14.667 -12.084 -0.536 1.00 15.22 H new ATOM 0 HB2 ALA A 36 -14.041 -10.552 -1.192 1.00 15.22 H new ATOM 0 HB3 ALA A 36 -13.783 -12.072 -2.081 1.00 15.22 H new ATOM 512 N GLU A 37 -11.656 -13.917 -1.178 1.00 63.24 N ATOM 513 CA GLU A 37 -11.275 -15.317 -1.190 1.00 13.21 C ATOM 514 C GLU A 37 -10.156 -15.574 -0.182 1.00 0.11 C ATOM 515 O GLU A 37 -10.212 -16.521 0.599 1.00 23.15 O ATOM 516 CB GLU A 37 -10.750 -15.631 -2.573 1.00 41.42 C ATOM 517 CG GLU A 37 -10.505 -17.096 -2.864 1.00 31.32 C ATOM 518 CD GLU A 37 -9.982 -17.298 -4.254 1.00 44.31 C ATOM 519 OE1 GLU A 37 -8.792 -17.030 -4.503 1.00 3.24 O ATOM 520 OE2 GLU A 37 -10.752 -17.718 -5.136 1.00 45.41 O ATOM 0 H GLU A 37 -11.418 -13.425 -2.040 1.00 63.24 H new ATOM 0 HA GLU A 37 -12.134 -15.936 -0.931 1.00 13.21 H new ATOM 0 HB2 GLU A 37 -11.459 -15.247 -3.307 1.00 41.42 H new ATOM 0 HB3 GLU A 37 -9.816 -15.089 -2.719 1.00 41.42 H new ATOM 0 HG2 GLU A 37 -9.792 -17.497 -2.144 1.00 31.32 H new ATOM 0 HG3 GLU A 37 -11.433 -17.654 -2.738 1.00 31.32 H new ATOM 527 N LEU A 38 -9.170 -14.700 -0.195 1.00 71.01 N ATOM 528 CA LEU A 38 -7.987 -14.835 0.624 1.00 35.54 C ATOM 529 C LEU A 38 -8.326 -14.716 2.095 1.00 52.12 C ATOM 530 O LEU A 38 -7.955 -15.567 2.899 1.00 2.33 O ATOM 531 CB LEU A 38 -6.969 -13.752 0.252 1.00 62.14 C ATOM 532 CG LEU A 38 -5.618 -13.840 0.953 1.00 52.20 C ATOM 533 CD1 LEU A 38 -4.815 -15.024 0.439 1.00 51.53 C ATOM 534 CD2 LEU A 38 -4.850 -12.551 0.796 1.00 31.25 C ATOM 0 H LEU A 38 -9.170 -13.866 -0.783 1.00 71.01 H new ATOM 0 HA LEU A 38 -7.562 -15.822 0.442 1.00 35.54 H new ATOM 0 HB2 LEU A 38 -6.802 -13.792 -0.824 1.00 62.14 H new ATOM 0 HB3 LEU A 38 -7.407 -12.778 0.470 1.00 62.14 H new ATOM 0 HG LEU A 38 -5.796 -13.997 2.017 1.00 52.20 H new ATOM 0 HD11 LEU A 38 -3.856 -15.064 0.955 1.00 51.53 H new ATOM 0 HD12 LEU A 38 -5.366 -15.946 0.625 1.00 51.53 H new ATOM 0 HD13 LEU A 38 -4.647 -14.912 -0.632 1.00 51.53 H new ATOM 0 HD21 LEU A 38 -3.889 -12.636 1.304 1.00 31.25 H new ATOM 0 HD22 LEU A 38 -4.685 -12.353 -0.263 1.00 31.25 H new ATOM 0 HD23 LEU A 38 -5.421 -11.732 1.234 1.00 31.25 H new ATOM 546 N LEU A 39 -9.054 -13.674 2.432 1.00 71.45 N ATOM 547 CA LEU A 39 -9.383 -13.398 3.816 1.00 12.13 C ATOM 548 C LEU A 39 -10.589 -14.198 4.292 1.00 13.30 C ATOM 549 O LEU A 39 -10.794 -14.355 5.499 1.00 11.31 O ATOM 550 CB LEU A 39 -9.622 -11.901 4.016 1.00 3.12 C ATOM 551 CG LEU A 39 -8.450 -10.962 3.703 1.00 51.52 C ATOM 552 CD1 LEU A 39 -8.869 -9.515 3.904 1.00 42.25 C ATOM 553 CD2 LEU A 39 -7.242 -11.288 4.572 1.00 10.34 C ATOM 0 H LEU A 39 -9.431 -13.001 1.765 1.00 71.45 H new ATOM 0 HA LEU A 39 -8.531 -13.709 4.421 1.00 12.13 H new ATOM 0 HB2 LEU A 39 -10.468 -11.607 3.394 1.00 3.12 H new ATOM 0 HB3 LEU A 39 -9.918 -11.740 5.053 1.00 3.12 H new ATOM 0 HG LEU A 39 -8.166 -11.107 2.661 1.00 51.52 H new ATOM 0 HD11 LEU A 39 -8.029 -8.858 3.679 1.00 42.25 H new ATOM 0 HD12 LEU A 39 -9.701 -9.281 3.239 1.00 42.25 H new ATOM 0 HD13 LEU A 39 -9.179 -9.366 4.938 1.00 42.25 H new ATOM 0 HD21 LEU A 39 -6.425 -10.608 4.330 1.00 10.34 H new ATOM 0 HD22 LEU A 39 -7.509 -11.175 5.623 1.00 10.34 H new ATOM 0 HD23 LEU A 39 -6.926 -12.315 4.386 1.00 10.34 H new ATOM 565 N GLY A 40 -11.373 -14.706 3.355 1.00 70.32 N ATOM 566 CA GLY A 40 -12.563 -15.467 3.705 1.00 73.23 C ATOM 567 C GLY A 40 -13.664 -14.556 4.203 1.00 73.23 C ATOM 568 O GLY A 40 -14.505 -14.948 5.011 1.00 63.42 O ATOM 0 H GLY A 40 -11.209 -14.607 2.353 1.00 70.32 H new ATOM 0 HA2 GLY A 40 -12.912 -16.023 2.835 1.00 73.23 H new ATOM 0 HA3 GLY A 40 -12.317 -16.200 4.474 1.00 73.23 H new ATOM 572 N VAL A 41 -13.646 -13.342 3.717 1.00 23.30 N ATOM 573 CA VAL A 41 -14.589 -12.315 4.124 1.00 31.30 C ATOM 574 C VAL A 41 -15.298 -11.776 2.882 1.00 72.41 C ATOM 575 O VAL A 41 -14.871 -12.072 1.778 1.00 61.31 O ATOM 576 CB VAL A 41 -13.867 -11.138 4.867 1.00 42.35 C ATOM 577 CG1 VAL A 41 -13.087 -11.635 6.076 1.00 24.43 C ATOM 578 CG2 VAL A 41 -12.961 -10.350 3.928 1.00 74.24 C ATOM 0 H VAL A 41 -12.971 -13.028 3.019 1.00 23.30 H new ATOM 0 HA VAL A 41 -15.308 -12.756 4.814 1.00 31.30 H new ATOM 0 HB VAL A 41 -14.645 -10.463 5.223 1.00 42.35 H new ATOM 0 HG11 VAL A 41 -12.600 -10.792 6.566 1.00 24.43 H new ATOM 0 HG12 VAL A 41 -13.769 -12.117 6.776 1.00 24.43 H new ATOM 0 HG13 VAL A 41 -12.333 -12.352 5.753 1.00 24.43 H new ATOM 0 HG21 VAL A 41 -12.479 -9.543 4.480 1.00 74.24 H new ATOM 0 HG22 VAL A 41 -12.200 -11.013 3.515 1.00 74.24 H new ATOM 0 HG23 VAL A 41 -13.555 -9.930 3.117 1.00 74.24 H new ATOM 588 N PRO A 42 -16.413 -11.046 3.022 1.00 52.40 N ATOM 589 CA PRO A 42 -17.049 -10.420 1.880 1.00 63.21 C ATOM 590 C PRO A 42 -16.316 -9.122 1.492 1.00 41.54 C ATOM 591 O PRO A 42 -15.545 -8.559 2.298 1.00 2.14 O ATOM 592 CB PRO A 42 -18.475 -10.103 2.356 1.00 1.42 C ATOM 593 CG PRO A 42 -18.546 -10.508 3.802 1.00 4.04 C ATOM 594 CD PRO A 42 -17.143 -10.787 4.267 1.00 22.41 C ATOM 0 HA PRO A 42 -17.035 -11.062 0.999 1.00 63.21 H new ATOM 0 HB2 PRO A 42 -18.695 -9.042 2.240 1.00 1.42 H new ATOM 0 HB3 PRO A 42 -19.211 -10.648 1.765 1.00 1.42 H new ATOM 0 HG2 PRO A 42 -18.997 -9.716 4.400 1.00 4.04 H new ATOM 0 HG3 PRO A 42 -19.172 -11.392 3.921 1.00 4.04 H new ATOM 0 HD2 PRO A 42 -16.724 -9.939 4.809 1.00 22.41 H new ATOM 0 HD3 PRO A 42 -17.106 -11.644 4.939 1.00 22.41 H new ATOM 602 N VAL A 43 -16.579 -8.641 0.285 1.00 53.53 N ATOM 603 CA VAL A 43 -15.958 -7.422 -0.255 1.00 34.43 C ATOM 604 C VAL A 43 -16.244 -6.212 0.637 1.00 33.23 C ATOM 605 O VAL A 43 -15.395 -5.335 0.811 1.00 21.11 O ATOM 606 CB VAL A 43 -16.446 -7.147 -1.708 1.00 61.32 C ATOM 607 CG1 VAL A 43 -15.850 -5.859 -2.271 1.00 24.44 C ATOM 608 CG2 VAL A 43 -16.100 -8.320 -2.615 1.00 44.41 C ATOM 0 H VAL A 43 -17.234 -9.084 -0.359 1.00 53.53 H new ATOM 0 HA VAL A 43 -14.880 -7.584 -0.275 1.00 34.43 H new ATOM 0 HB VAL A 43 -17.529 -7.027 -1.672 1.00 61.32 H new ATOM 0 HG11 VAL A 43 -16.215 -5.703 -3.286 1.00 24.44 H new ATOM 0 HG12 VAL A 43 -16.146 -5.017 -1.645 1.00 24.44 H new ATOM 0 HG13 VAL A 43 -14.763 -5.936 -2.284 1.00 24.44 H new ATOM 0 HG21 VAL A 43 -16.448 -8.112 -3.627 1.00 44.41 H new ATOM 0 HG22 VAL A 43 -15.020 -8.466 -2.625 1.00 44.41 H new ATOM 0 HG23 VAL A 43 -16.584 -9.223 -2.243 1.00 44.41 H new ATOM 618 N SER A 44 -17.406 -6.207 1.222 1.00 25.13 N ATOM 619 CA SER A 44 -17.829 -5.164 2.108 1.00 74.52 C ATOM 620 C SER A 44 -16.912 -5.052 3.340 1.00 40.24 C ATOM 621 O SER A 44 -16.554 -3.954 3.761 1.00 64.22 O ATOM 622 CB SER A 44 -19.255 -5.449 2.494 1.00 75.04 C ATOM 623 OG SER A 44 -19.396 -6.816 2.868 1.00 24.42 O ATOM 0 H SER A 44 -18.100 -6.943 1.093 1.00 25.13 H new ATOM 0 HA SER A 44 -17.764 -4.198 1.607 1.00 74.52 H new ATOM 0 HB2 SER A 44 -19.552 -4.805 3.322 1.00 75.04 H new ATOM 0 HB3 SER A 44 -19.918 -5.222 1.660 1.00 75.04 H new ATOM 0 HG SER A 44 -20.327 -6.992 3.119 1.00 24.42 H new ATOM 629 N LYS A 45 -16.509 -6.194 3.884 1.00 14.42 N ATOM 630 CA LYS A 45 -15.610 -6.227 5.022 1.00 64.11 C ATOM 631 C LYS A 45 -14.207 -5.761 4.606 1.00 63.31 C ATOM 632 O LYS A 45 -13.485 -5.149 5.393 1.00 71.14 O ATOM 633 CB LYS A 45 -15.610 -7.613 5.685 1.00 22.04 C ATOM 634 CG LYS A 45 -14.834 -7.690 6.999 1.00 40.54 C ATOM 635 CD LYS A 45 -15.120 -8.997 7.729 1.00 34.13 C ATOM 636 CE LYS A 45 -14.366 -9.086 9.048 1.00 32.22 C ATOM 637 NZ LYS A 45 -14.709 -10.318 9.799 1.00 13.05 N ATOM 0 H LYS A 45 -16.795 -7.114 3.549 1.00 14.42 H new ATOM 0 HA LYS A 45 -15.966 -5.528 5.779 1.00 64.11 H new ATOM 0 HB2 LYS A 45 -16.642 -7.913 5.869 1.00 22.04 H new ATOM 0 HB3 LYS A 45 -15.188 -8.335 4.986 1.00 22.04 H new ATOM 0 HG2 LYS A 45 -13.766 -7.608 6.799 1.00 40.54 H new ATOM 0 HG3 LYS A 45 -15.105 -6.848 7.635 1.00 40.54 H new ATOM 0 HD2 LYS A 45 -16.190 -9.082 7.916 1.00 34.13 H new ATOM 0 HD3 LYS A 45 -14.840 -9.837 7.093 1.00 34.13 H new ATOM 0 HE2 LYS A 45 -13.293 -9.065 8.855 1.00 32.22 H new ATOM 0 HE3 LYS A 45 -14.597 -8.213 9.658 1.00 32.22 H new ATOM 0 HZ1 LYS A 45 -14.175 -10.341 10.691 1.00 13.05 H new ATOM 0 HZ2 LYS A 45 -15.728 -10.326 10.006 1.00 13.05 H new ATOM 0 HZ3 LYS A 45 -14.465 -11.152 9.228 1.00 13.05 H new ATOM 651 N VAL A 46 -13.840 -6.045 3.360 1.00 73.21 N ATOM 652 CA VAL A 46 -12.573 -5.564 2.779 1.00 23.15 C ATOM 653 C VAL A 46 -12.612 -4.049 2.678 1.00 33.21 C ATOM 654 O VAL A 46 -11.639 -3.361 3.016 1.00 61.55 O ATOM 655 CB VAL A 46 -12.311 -6.176 1.372 1.00 0.40 C ATOM 656 CG1 VAL A 46 -10.999 -5.673 0.789 1.00 22.41 C ATOM 657 CG2 VAL A 46 -12.319 -7.696 1.429 1.00 55.33 C ATOM 0 H VAL A 46 -14.401 -6.610 2.722 1.00 73.21 H new ATOM 0 HA VAL A 46 -11.760 -5.879 3.433 1.00 23.15 H new ATOM 0 HB VAL A 46 -13.120 -5.853 0.717 1.00 0.40 H new ATOM 0 HG11 VAL A 46 -10.843 -6.118 -0.194 1.00 22.41 H new ATOM 0 HG12 VAL A 46 -11.035 -4.588 0.695 1.00 22.41 H new ATOM 0 HG13 VAL A 46 -10.177 -5.953 1.448 1.00 22.41 H new ATOM 0 HG21 VAL A 46 -12.134 -8.098 0.433 1.00 55.33 H new ATOM 0 HG22 VAL A 46 -11.540 -8.039 2.110 1.00 55.33 H new ATOM 0 HG23 VAL A 46 -13.289 -8.042 1.785 1.00 55.33 H new ATOM 667 N ALA A 47 -13.750 -3.537 2.256 1.00 32.11 N ATOM 668 CA ALA A 47 -13.982 -2.110 2.177 1.00 54.21 C ATOM 669 C ALA A 47 -13.818 -1.472 3.554 1.00 0.12 C ATOM 670 O ALA A 47 -13.295 -0.378 3.674 1.00 41.34 O ATOM 671 CB ALA A 47 -15.361 -1.818 1.599 1.00 61.42 C ATOM 0 H ALA A 47 -14.544 -4.103 1.957 1.00 32.11 H new ATOM 0 HA ALA A 47 -13.242 -1.673 1.507 1.00 54.21 H new ATOM 0 HB1 ALA A 47 -15.514 -0.740 1.549 1.00 61.42 H new ATOM 0 HB2 ALA A 47 -15.433 -2.242 0.597 1.00 61.42 H new ATOM 0 HB3 ALA A 47 -16.125 -2.263 2.237 1.00 61.42 H new ATOM 677 N GLN A 48 -14.236 -2.188 4.593 1.00 75.14 N ATOM 678 CA GLN A 48 -14.112 -1.709 5.973 1.00 5.22 C ATOM 679 C GLN A 48 -12.648 -1.608 6.388 1.00 34.11 C ATOM 680 O GLN A 48 -12.271 -0.719 7.143 1.00 41.41 O ATOM 681 CB GLN A 48 -14.883 -2.598 6.958 1.00 52.34 C ATOM 682 CG GLN A 48 -16.348 -2.761 6.606 1.00 24.52 C ATOM 683 CD GLN A 48 -17.068 -1.439 6.443 1.00 43.43 C ATOM 684 OE1 GLN A 48 -16.748 -0.445 7.101 1.00 3.25 O ATOM 685 NE2 GLN A 48 -17.999 -1.399 5.530 1.00 61.41 N ATOM 0 H GLN A 48 -14.667 -3.109 4.508 1.00 75.14 H new ATOM 0 HA GLN A 48 -14.554 -0.713 6.005 1.00 5.22 H new ATOM 0 HB2 GLN A 48 -14.414 -3.581 6.991 1.00 52.34 H new ATOM 0 HB3 GLN A 48 -14.803 -2.173 7.958 1.00 52.34 H new ATOM 0 HG2 GLN A 48 -16.432 -3.331 5.681 1.00 24.52 H new ATOM 0 HG3 GLN A 48 -16.841 -3.343 7.385 1.00 24.52 H new ATOM 0 HE21 GLN A 48 -18.236 -2.241 5.006 1.00 61.41 H new ATOM 0 HE22 GLN A 48 -18.490 -0.525 5.340 1.00 61.41 H new ATOM 694 N GLN A 49 -11.826 -2.531 5.904 1.00 31.51 N ATOM 695 CA GLN A 49 -10.386 -2.516 6.201 1.00 50.10 C ATOM 696 C GLN A 49 -9.785 -1.263 5.595 1.00 0.21 C ATOM 697 O GLN A 49 -9.080 -0.491 6.260 1.00 70.03 O ATOM 698 CB GLN A 49 -9.689 -3.740 5.595 1.00 63.33 C ATOM 699 CG GLN A 49 -10.310 -5.064 5.980 1.00 55.32 C ATOM 700 CD GLN A 49 -10.326 -5.307 7.469 1.00 22.14 C ATOM 701 OE1 GLN A 49 -9.445 -4.860 8.206 1.00 61.13 O ATOM 702 NE2 GLN A 49 -11.336 -5.984 7.923 1.00 4.44 N ATOM 0 H GLN A 49 -12.124 -3.301 5.305 1.00 31.51 H new ATOM 0 HA GLN A 49 -10.247 -2.536 7.282 1.00 50.10 H new ATOM 0 HB2 GLN A 49 -9.700 -3.649 4.509 1.00 63.33 H new ATOM 0 HB3 GLN A 49 -8.644 -3.739 5.904 1.00 63.33 H new ATOM 0 HG2 GLN A 49 -11.332 -5.101 5.602 1.00 55.32 H new ATOM 0 HG3 GLN A 49 -9.761 -5.870 5.494 1.00 55.32 H new ATOM 0 HE21 GLN A 49 -12.044 -6.337 7.279 1.00 4.44 H new ATOM 0 HE22 GLN A 49 -11.422 -6.163 8.923 1.00 4.44 H new ATOM 711 N LEU A 50 -10.147 -1.042 4.352 1.00 44.31 N ATOM 712 CA LEU A 50 -9.697 0.089 3.576 1.00 22.23 C ATOM 713 C LEU A 50 -10.161 1.397 4.235 1.00 65.13 C ATOM 714 O LEU A 50 -9.375 2.333 4.428 1.00 32.53 O ATOM 715 CB LEU A 50 -10.272 -0.038 2.155 1.00 42.43 C ATOM 716 CG LEU A 50 -9.742 -1.189 1.286 1.00 52.43 C ATOM 717 CD1 LEU A 50 -10.503 -1.253 -0.027 1.00 21.22 C ATOM 718 CD2 LEU A 50 -8.260 -1.020 1.011 1.00 4.52 C ATOM 0 H LEU A 50 -10.778 -1.659 3.841 1.00 44.31 H new ATOM 0 HA LEU A 50 -8.608 0.105 3.529 1.00 22.23 H new ATOM 0 HB2 LEU A 50 -11.354 -0.146 2.236 1.00 42.43 H new ATOM 0 HB3 LEU A 50 -10.083 0.898 1.629 1.00 42.43 H new ATOM 0 HG LEU A 50 -9.891 -2.120 1.832 1.00 52.43 H new ATOM 0 HD11 LEU A 50 -10.116 -2.073 -0.632 1.00 21.22 H new ATOM 0 HD12 LEU A 50 -11.562 -1.418 0.174 1.00 21.22 H new ATOM 0 HD13 LEU A 50 -10.378 -0.314 -0.566 1.00 21.22 H new ATOM 0 HD21 LEU A 50 -7.908 -1.847 0.394 1.00 4.52 H new ATOM 0 HD22 LEU A 50 -8.092 -0.079 0.487 1.00 4.52 H new ATOM 0 HD23 LEU A 50 -7.713 -1.012 1.954 1.00 4.52 H new ATOM 730 N ARG A 51 -11.412 1.417 4.642 1.00 34.41 N ATOM 731 CA ARG A 51 -12.020 2.571 5.286 1.00 21.23 C ATOM 732 C ARG A 51 -11.422 2.915 6.643 1.00 12.44 C ATOM 733 O ARG A 51 -11.509 4.065 7.083 1.00 22.12 O ATOM 734 CB ARG A 51 -13.526 2.411 5.388 1.00 43.43 C ATOM 735 CG ARG A 51 -14.254 2.653 4.078 1.00 51.41 C ATOM 736 CD ARG A 51 -15.730 2.338 4.198 1.00 22.14 C ATOM 737 NE ARG A 51 -16.324 2.934 5.401 1.00 33.21 N ATOM 738 CZ ARG A 51 -17.292 3.849 5.435 1.00 41.41 C ATOM 739 NH1 ARG A 51 -17.649 4.505 4.330 1.00 62.32 N ATOM 740 NH2 ARG A 51 -17.846 4.164 6.596 1.00 14.35 N ATOM 0 H ARG A 51 -12.046 0.625 4.536 1.00 34.41 H new ATOM 0 HA ARG A 51 -11.792 3.417 4.637 1.00 21.23 H new ATOM 0 HB2 ARG A 51 -13.753 1.404 5.739 1.00 43.43 H new ATOM 0 HB3 ARG A 51 -13.906 3.104 6.139 1.00 43.43 H new ATOM 0 HG2 ARG A 51 -14.126 3.692 3.776 1.00 51.41 H new ATOM 0 HG3 ARG A 51 -13.812 2.037 3.295 1.00 51.41 H new ATOM 0 HD2 ARG A 51 -16.252 2.707 3.315 1.00 22.14 H new ATOM 0 HD3 ARG A 51 -15.869 1.257 4.222 1.00 22.14 H new ATOM 0 HE ARG A 51 -15.960 2.616 6.299 1.00 33.21 H new ATOM 0 HH11 ARG A 51 -17.180 4.308 3.446 1.00 62.32 H new ATOM 0 HH12 ARG A 51 -18.392 5.203 4.369 1.00 62.32 H new ATOM 0 HH21 ARG A 51 -17.531 3.708 7.452 1.00 14.35 H new ATOM 0 HH22 ARG A 51 -18.588 4.863 6.634 1.00 14.35 H new ATOM 754 N GLU A 52 -10.812 1.959 7.313 1.00 44.32 N ATOM 755 CA GLU A 52 -10.235 2.265 8.607 1.00 2.24 C ATOM 756 C GLU A 52 -8.733 2.430 8.516 1.00 63.12 C ATOM 757 O GLU A 52 -8.054 2.679 9.518 1.00 3.40 O ATOM 758 CB GLU A 52 -10.653 1.264 9.689 1.00 33.53 C ATOM 759 CG GLU A 52 -12.162 1.216 9.897 1.00 52.45 C ATOM 760 CD GLU A 52 -12.576 0.486 11.147 1.00 21.41 C ATOM 761 OE1 GLU A 52 -12.541 -0.755 11.178 1.00 60.50 O ATOM 762 OE2 GLU A 52 -12.967 1.151 12.137 1.00 65.41 O ATOM 0 H GLU A 52 -10.704 0.995 6.998 1.00 44.32 H new ATOM 0 HA GLU A 52 -10.644 3.226 8.921 1.00 2.24 H new ATOM 0 HB2 GLU A 52 -10.297 0.271 9.416 1.00 33.53 H new ATOM 0 HB3 GLU A 52 -10.169 1.529 10.629 1.00 33.53 H new ATOM 0 HG2 GLU A 52 -12.547 2.235 9.937 1.00 52.45 H new ATOM 0 HG3 GLU A 52 -12.624 0.734 9.035 1.00 52.45 H new ATOM 769 N GLY A 53 -8.221 2.337 7.301 1.00 54.04 N ATOM 770 CA GLY A 53 -6.809 2.510 7.076 1.00 21.05 C ATOM 771 C GLY A 53 -6.006 1.324 7.544 1.00 4.51 C ATOM 772 O GLY A 53 -4.961 1.485 8.178 1.00 41.34 O ATOM 0 H GLY A 53 -8.766 2.143 6.461 1.00 54.04 H new ATOM 0 HA2 GLY A 53 -6.630 2.671 6.013 1.00 21.05 H new ATOM 0 HA3 GLY A 53 -6.467 3.405 7.596 1.00 21.05 H new ATOM 776 N HIS A 54 -6.521 0.136 7.281 1.00 64.54 N ATOM 777 CA HIS A 54 -5.801 -1.096 7.606 1.00 73.42 C ATOM 778 C HIS A 54 -5.153 -1.661 6.357 1.00 34.15 C ATOM 779 O HIS A 54 -4.315 -2.551 6.433 1.00 72.14 O ATOM 780 CB HIS A 54 -6.735 -2.186 8.178 1.00 13.53 C ATOM 781 CG HIS A 54 -7.441 -1.868 9.462 1.00 11.34 C ATOM 782 ND1 HIS A 54 -8.676 -2.384 9.794 1.00 53.25 N ATOM 783 CD2 HIS A 54 -7.049 -1.126 10.529 1.00 33.22 C ATOM 784 CE1 HIS A 54 -8.993 -1.957 11.009 1.00 42.30 C ATOM 785 NE2 HIS A 54 -8.037 -1.187 11.512 1.00 32.43 N ATOM 0 H HIS A 54 -7.432 -0.008 6.845 1.00 64.54 H new ATOM 0 HA HIS A 54 -5.057 -0.833 8.358 1.00 73.42 H new ATOM 0 HB2 HIS A 54 -7.488 -2.417 7.425 1.00 13.53 H new ATOM 0 HB3 HIS A 54 -6.147 -3.091 8.329 1.00 13.53 H new ATOM 0 HD1 HIS A 54 -9.248 -2.990 9.206 1.00 53.25 H new ATOM 0 HD2 HIS A 54 -6.122 -0.577 10.605 1.00 33.22 H new ATOM 0 HE1 HIS A 54 -9.911 -2.204 11.522 1.00 42.30 H new ATOM 793 N LEU A 55 -5.538 -1.132 5.211 1.00 60.34 N ATOM 794 CA LEU A 55 -5.112 -1.673 3.944 1.00 5.04 C ATOM 795 C LEU A 55 -5.213 -0.572 2.885 1.00 42.32 C ATOM 796 O LEU A 55 -5.905 0.427 3.107 1.00 1.51 O ATOM 797 CB LEU A 55 -6.044 -2.855 3.613 1.00 22.43 C ATOM 798 CG LEU A 55 -5.709 -3.726 2.409 1.00 3.32 C ATOM 799 CD1 LEU A 55 -4.349 -4.390 2.584 1.00 43.13 C ATOM 800 CD2 LEU A 55 -6.793 -4.775 2.231 1.00 32.11 C ATOM 0 H LEU A 55 -6.151 -0.320 5.137 1.00 60.34 H new ATOM 0 HA LEU A 55 -4.080 -2.023 3.974 1.00 5.04 H new ATOM 0 HB2 LEU A 55 -6.084 -3.502 4.490 1.00 22.43 H new ATOM 0 HB3 LEU A 55 -7.047 -2.455 3.465 1.00 22.43 H new ATOM 0 HG LEU A 55 -5.663 -3.099 1.518 1.00 3.32 H new ATOM 0 HD11 LEU A 55 -4.131 -5.007 1.712 1.00 43.13 H new ATOM 0 HD12 LEU A 55 -3.581 -3.624 2.688 1.00 43.13 H new ATOM 0 HD13 LEU A 55 -4.361 -5.015 3.477 1.00 43.13 H new ATOM 0 HD21 LEU A 55 -6.556 -5.400 1.370 1.00 32.11 H new ATOM 0 HD22 LEU A 55 -6.849 -5.395 3.125 1.00 32.11 H new ATOM 0 HD23 LEU A 55 -7.752 -4.283 2.070 1.00 32.11 H new ATOM 812 N VAL A 56 -4.524 -0.743 1.759 1.00 2.44 N ATOM 813 CA VAL A 56 -4.521 0.240 0.669 1.00 22.35 C ATOM 814 C VAL A 56 -4.842 -0.479 -0.650 1.00 61.55 C ATOM 815 O VAL A 56 -4.476 -1.637 -0.819 1.00 21.43 O ATOM 816 CB VAL A 56 -3.119 0.948 0.548 1.00 60.53 C ATOM 817 CG1 VAL A 56 -3.085 1.962 -0.592 1.00 11.24 C ATOM 818 CG2 VAL A 56 -2.738 1.630 1.850 1.00 51.15 C ATOM 0 H VAL A 56 -3.951 -1.566 1.573 1.00 2.44 H new ATOM 0 HA VAL A 56 -5.272 1.001 0.882 1.00 22.35 H new ATOM 0 HB VAL A 56 -2.393 0.166 0.327 1.00 60.53 H new ATOM 0 HG11 VAL A 56 -2.099 2.425 -0.638 1.00 11.24 H new ATOM 0 HG12 VAL A 56 -3.292 1.456 -1.535 1.00 11.24 H new ATOM 0 HG13 VAL A 56 -3.839 2.730 -0.419 1.00 11.24 H new ATOM 0 HG21 VAL A 56 -1.766 2.111 1.738 1.00 51.15 H new ATOM 0 HG22 VAL A 56 -3.487 2.381 2.100 1.00 51.15 H new ATOM 0 HG23 VAL A 56 -2.687 0.889 2.648 1.00 51.15 H new ATOM 828 N ALA A 57 -5.524 0.203 -1.556 1.00 63.41 N ATOM 829 CA ALA A 57 -5.876 -0.343 -2.853 1.00 44.54 C ATOM 830 C ALA A 57 -5.266 0.531 -3.942 1.00 21.02 C ATOM 831 O ALA A 57 -5.123 1.746 -3.755 1.00 42.42 O ATOM 832 CB ALA A 57 -7.390 -0.406 -3.008 1.00 24.32 C ATOM 0 H ALA A 57 -5.850 1.158 -1.409 1.00 63.41 H new ATOM 0 HA ALA A 57 -5.484 -1.357 -2.940 1.00 44.54 H new ATOM 0 HB1 ALA A 57 -7.639 -0.818 -3.986 1.00 24.32 H new ATOM 0 HB2 ALA A 57 -7.809 -1.043 -2.229 1.00 24.32 H new ATOM 0 HB3 ALA A 57 -7.807 0.597 -2.920 1.00 24.32 H new ATOM 838 N VAL A 58 -4.910 -0.067 -5.062 1.00 13.32 N ATOM 839 CA VAL A 58 -4.258 0.647 -6.150 1.00 22.33 C ATOM 840 C VAL A 58 -4.995 0.429 -7.458 1.00 3.44 C ATOM 841 O VAL A 58 -5.713 -0.568 -7.625 1.00 3.02 O ATOM 842 CB VAL A 58 -2.777 0.224 -6.313 1.00 43.32 C ATOM 843 CG1 VAL A 58 -2.059 0.408 -5.016 1.00 21.44 C ATOM 844 CG2 VAL A 58 -2.640 -1.212 -6.799 1.00 54.21 C ATOM 0 H VAL A 58 -5.063 -1.059 -5.246 1.00 13.32 H new ATOM 0 HA VAL A 58 -4.284 1.706 -5.893 1.00 22.33 H new ATOM 0 HB VAL A 58 -2.328 0.861 -7.075 1.00 43.32 H new ATOM 0 HG11 VAL A 58 -1.017 0.110 -5.132 1.00 21.44 H new ATOM 0 HG12 VAL A 58 -2.106 1.456 -4.720 1.00 21.44 H new ATOM 0 HG13 VAL A 58 -2.529 -0.208 -4.249 1.00 21.44 H new ATOM 0 HG21 VAL A 58 -1.584 -1.463 -6.898 1.00 54.21 H new ATOM 0 HG22 VAL A 58 -3.107 -1.885 -6.081 1.00 54.21 H new ATOM 0 HG23 VAL A 58 -3.130 -1.317 -7.767 1.00 54.21 H new ATOM 854 N ARG A 59 -4.847 1.355 -8.355 1.00 61.05 N ATOM 855 CA ARG A 59 -5.501 1.279 -9.625 1.00 4.42 C ATOM 856 C ARG A 59 -4.458 1.030 -10.694 1.00 33.20 C ATOM 857 O ARG A 59 -3.600 1.867 -10.931 1.00 64.32 O ATOM 858 CB ARG A 59 -6.224 2.599 -9.885 1.00 3.20 C ATOM 859 CG ARG A 59 -7.000 2.673 -11.186 1.00 62.42 C ATOM 860 CD ARG A 59 -7.571 4.066 -11.369 1.00 32.33 C ATOM 861 NE ARG A 59 -6.504 5.076 -11.400 1.00 71.31 N ATOM 862 CZ ARG A 59 -6.605 6.343 -10.975 1.00 24.11 C ATOM 863 NH1 ARG A 59 -7.720 6.790 -10.405 1.00 31.50 N ATOM 864 NH2 ARG A 59 -5.572 7.151 -11.097 1.00 63.52 N ATOM 0 H ARG A 59 -4.269 2.186 -8.227 1.00 61.05 H new ATOM 0 HA ARG A 59 -6.227 0.466 -9.637 1.00 4.42 H new ATOM 0 HB2 ARG A 59 -6.912 2.785 -9.061 1.00 3.20 H new ATOM 0 HB3 ARG A 59 -5.489 3.404 -9.874 1.00 3.20 H new ATOM 0 HG2 ARG A 59 -6.347 2.425 -12.023 1.00 62.42 H new ATOM 0 HG3 ARG A 59 -7.805 1.938 -11.181 1.00 62.42 H new ATOM 0 HD2 ARG A 59 -8.143 4.109 -12.296 1.00 32.33 H new ATOM 0 HD3 ARG A 59 -8.263 4.288 -10.557 1.00 32.33 H new ATOM 0 HE ARG A 59 -5.603 4.786 -11.780 1.00 71.31 H new ATOM 0 HH11 ARG A 59 -8.517 6.165 -10.285 1.00 31.50 H new ATOM 0 HH12 ARG A 59 -7.778 7.758 -10.088 1.00 31.50 H new ATOM 0 HH21 ARG A 59 -4.705 6.811 -11.512 1.00 63.52 H new ATOM 0 HH22 ARG A 59 -5.639 8.117 -10.776 1.00 63.52 H new ATOM 878 N ARG A 60 -4.536 -0.111 -11.325 1.00 61.22 N ATOM 879 CA ARG A 60 -3.599 -0.480 -12.362 1.00 53.23 C ATOM 880 C ARG A 60 -4.363 -0.872 -13.606 1.00 32.04 C ATOM 881 O ARG A 60 -5.292 -1.675 -13.534 1.00 34.32 O ATOM 882 CB ARG A 60 -2.592 -1.577 -11.869 1.00 32.01 C ATOM 883 CG ARG A 60 -3.200 -2.905 -11.377 1.00 32.33 C ATOM 884 CD ARG A 60 -3.419 -3.922 -12.495 1.00 13.32 C ATOM 885 NE ARG A 60 -4.139 -5.125 -12.030 1.00 50.04 N ATOM 886 CZ ARG A 60 -3.710 -6.410 -12.153 1.00 11.01 C ATOM 887 NH1 ARG A 60 -2.461 -6.684 -12.507 1.00 41.00 N ATOM 888 NH2 ARG A 60 -4.530 -7.410 -11.864 1.00 23.11 N ATOM 0 H ARG A 60 -5.250 -0.814 -11.137 1.00 61.22 H new ATOM 0 HA ARG A 60 -2.976 0.377 -12.616 1.00 53.23 H new ATOM 0 HB2 ARG A 60 -1.905 -1.799 -12.685 1.00 32.01 H new ATOM 0 HB3 ARG A 60 -1.998 -1.154 -11.059 1.00 32.01 H new ATOM 0 HG2 ARG A 60 -2.543 -3.340 -10.624 1.00 32.33 H new ATOM 0 HG3 ARG A 60 -4.153 -2.701 -10.889 1.00 32.33 H new ATOM 0 HD2 ARG A 60 -3.982 -3.454 -13.302 1.00 13.32 H new ATOM 0 HD3 ARG A 60 -2.454 -4.217 -12.908 1.00 13.32 H new ATOM 0 HE ARG A 60 -5.040 -4.979 -11.575 1.00 50.04 H new ATOM 0 HH11 ARG A 60 -1.805 -5.925 -12.692 1.00 41.00 H new ATOM 0 HH12 ARG A 60 -2.157 -7.654 -12.594 1.00 41.00 H new ATOM 0 HH21 ARG A 60 -5.481 -7.215 -11.550 1.00 23.11 H new ATOM 0 HH22 ARG A 60 -4.210 -8.374 -11.956 1.00 23.11 H new ATOM 902 N ALA A 61 -4.055 -0.194 -14.714 1.00 35.22 N ATOM 903 CA ALA A 61 -4.697 -0.409 -16.032 1.00 11.10 C ATOM 904 C ALA A 61 -6.193 -0.060 -15.990 1.00 20.45 C ATOM 905 O ALA A 61 -6.957 -0.386 -16.900 1.00 63.44 O ATOM 906 CB ALA A 61 -4.472 -1.840 -16.534 1.00 71.14 C ATOM 0 H ALA A 61 -3.341 0.535 -14.731 1.00 35.22 H new ATOM 0 HA ALA A 61 -4.223 0.268 -16.743 1.00 11.10 H new ATOM 0 HB1 ALA A 61 -4.955 -1.966 -17.503 1.00 71.14 H new ATOM 0 HB2 ALA A 61 -3.403 -2.026 -16.635 1.00 71.14 H new ATOM 0 HB3 ALA A 61 -4.898 -2.547 -15.822 1.00 71.14 H new ATOM 912 N GLY A 62 -6.588 0.637 -14.941 1.00 31.12 N ATOM 913 CA GLY A 62 -7.966 1.011 -14.773 1.00 31.23 C ATOM 914 C GLY A 62 -8.720 0.046 -13.886 1.00 23.33 C ATOM 915 O GLY A 62 -9.927 0.158 -13.727 1.00 41.44 O ATOM 0 H GLY A 62 -5.968 0.953 -14.195 1.00 31.12 H new ATOM 0 HA2 GLY A 62 -8.019 2.012 -14.344 1.00 31.23 H new ATOM 0 HA3 GLY A 62 -8.449 1.057 -15.749 1.00 31.23 H new ATOM 919 N GLY A 63 -8.025 -0.914 -13.337 1.00 24.32 N ATOM 920 CA GLY A 63 -8.647 -1.847 -12.445 1.00 74.44 C ATOM 921 C GLY A 63 -8.222 -1.590 -11.038 1.00 73.30 C ATOM 922 O GLY A 63 -7.080 -1.176 -10.800 1.00 53.05 O ATOM 0 H GLY A 63 -7.029 -1.068 -13.493 1.00 24.32 H new ATOM 0 HA2 GLY A 63 -9.731 -1.767 -12.524 1.00 74.44 H new ATOM 0 HA3 GLY A 63 -8.381 -2.865 -12.731 1.00 74.44 H new ATOM 926 N VAL A 64 -9.110 -1.809 -10.110 1.00 32.34 N ATOM 927 CA VAL A 64 -8.813 -1.599 -8.721 1.00 71.40 C ATOM 928 C VAL A 64 -8.435 -2.920 -8.106 1.00 42.35 C ATOM 929 O VAL A 64 -9.216 -3.876 -8.113 1.00 71.21 O ATOM 930 CB VAL A 64 -10.027 -0.983 -7.963 1.00 22.34 C ATOM 931 CG1 VAL A 64 -9.744 -0.854 -6.471 1.00 74.34 C ATOM 932 CG2 VAL A 64 -10.387 0.376 -8.553 1.00 2.04 C ATOM 0 H VAL A 64 -10.058 -2.137 -10.294 1.00 32.34 H new ATOM 0 HA VAL A 64 -7.987 -0.893 -8.640 1.00 71.40 H new ATOM 0 HB VAL A 64 -10.874 -1.658 -8.086 1.00 22.34 H new ATOM 0 HG11 VAL A 64 -10.611 -0.421 -5.972 1.00 74.34 H new ATOM 0 HG12 VAL A 64 -9.540 -1.840 -6.053 1.00 74.34 H new ATOM 0 HG13 VAL A 64 -8.879 -0.209 -6.319 1.00 74.34 H new ATOM 0 HG21 VAL A 64 -11.237 0.794 -8.013 1.00 2.04 H new ATOM 0 HG22 VAL A 64 -9.534 1.049 -8.464 1.00 2.04 H new ATOM 0 HG23 VAL A 64 -10.648 0.258 -9.605 1.00 2.04 H new ATOM 942 N VAL A 65 -7.245 -2.971 -7.596 1.00 35.23 N ATOM 943 CA VAL A 65 -6.700 -4.156 -7.005 1.00 72.10 C ATOM 944 C VAL A 65 -6.005 -3.795 -5.724 1.00 71.25 C ATOM 945 O VAL A 65 -5.811 -2.622 -5.429 1.00 64.34 O ATOM 946 CB VAL A 65 -5.689 -4.866 -7.955 1.00 34.32 C ATOM 947 CG1 VAL A 65 -6.398 -5.484 -9.143 1.00 55.34 C ATOM 948 CG2 VAL A 65 -4.633 -3.895 -8.433 1.00 62.31 C ATOM 0 H VAL A 65 -6.610 -2.173 -7.578 1.00 35.23 H new ATOM 0 HA VAL A 65 -7.523 -4.845 -6.815 1.00 72.10 H new ATOM 0 HB VAL A 65 -5.206 -5.662 -7.389 1.00 34.32 H new ATOM 0 HG11 VAL A 65 -5.668 -5.972 -9.789 1.00 55.34 H new ATOM 0 HG12 VAL A 65 -7.122 -6.220 -8.792 1.00 55.34 H new ATOM 0 HG13 VAL A 65 -6.915 -4.705 -9.704 1.00 55.34 H new ATOM 0 HG21 VAL A 65 -3.937 -4.411 -9.095 1.00 62.31 H new ATOM 0 HG22 VAL A 65 -5.109 -3.077 -8.973 1.00 62.31 H new ATOM 0 HG23 VAL A 65 -4.090 -3.496 -7.576 1.00 62.31 H new ATOM 958 N ILE A 66 -5.645 -4.768 -4.973 1.00 3.01 N ATOM 959 CA ILE A 66 -4.956 -4.551 -3.742 1.00 13.10 C ATOM 960 C ILE A 66 -3.605 -5.244 -3.818 1.00 23.43 C ATOM 961 O ILE A 66 -3.532 -6.403 -4.250 1.00 13.14 O ATOM 962 CB ILE A 66 -5.785 -5.057 -2.522 1.00 62.53 C ATOM 963 CG1 ILE A 66 -7.119 -4.280 -2.446 1.00 35.23 C ATOM 964 CG2 ILE A 66 -4.992 -4.903 -1.227 1.00 74.13 C ATOM 965 CD1 ILE A 66 -8.009 -4.645 -1.278 1.00 40.20 C ATOM 0 H ILE A 66 -5.818 -5.749 -5.191 1.00 3.01 H new ATOM 0 HA ILE A 66 -4.812 -3.481 -3.593 1.00 13.10 H new ATOM 0 HB ILE A 66 -6.000 -6.117 -2.654 1.00 62.53 H new ATOM 0 HG12 ILE A 66 -6.898 -3.214 -2.395 1.00 35.23 H new ATOM 0 HG13 ILE A 66 -7.672 -4.447 -3.370 1.00 35.23 H new ATOM 0 HG21 ILE A 66 -5.590 -5.262 -0.389 1.00 74.13 H new ATOM 0 HG22 ILE A 66 -4.072 -5.484 -1.292 1.00 74.13 H new ATOM 0 HG23 ILE A 66 -4.747 -3.852 -1.073 1.00 74.13 H new ATOM 0 HD11 ILE A 66 -8.919 -4.046 -1.313 1.00 40.20 H new ATOM 0 HD12 ILE A 66 -8.268 -5.702 -1.334 1.00 40.20 H new ATOM 0 HD13 ILE A 66 -7.482 -4.450 -0.344 1.00 40.20 H new ATOM 977 N PRO A 67 -2.512 -4.525 -3.498 1.00 13.23 N ATOM 978 CA PRO A 67 -1.163 -5.086 -3.500 1.00 21.44 C ATOM 979 C PRO A 67 -1.052 -6.315 -2.597 1.00 0.54 C ATOM 980 O PRO A 67 -1.322 -6.244 -1.396 1.00 24.44 O ATOM 981 CB PRO A 67 -0.296 -3.951 -2.952 1.00 31.14 C ATOM 982 CG PRO A 67 -1.063 -2.715 -3.230 1.00 74.54 C ATOM 983 CD PRO A 67 -2.507 -3.095 -3.124 1.00 2.21 C ATOM 0 HA PRO A 67 -0.866 -5.423 -4.493 1.00 21.44 H new ATOM 0 HB2 PRO A 67 -0.116 -4.072 -1.884 1.00 31.14 H new ATOM 0 HB3 PRO A 67 0.679 -3.929 -3.439 1.00 31.14 H new ATOM 0 HG2 PRO A 67 -0.812 -1.931 -2.516 1.00 74.54 H new ATOM 0 HG3 PRO A 67 -0.833 -2.328 -4.223 1.00 74.54 H new ATOM 0 HD2 PRO A 67 -2.890 -2.942 -2.115 1.00 2.21 H new ATOM 0 HD3 PRO A 67 -3.129 -2.502 -3.794 1.00 2.21 H new ATOM 991 N GLN A 68 -0.644 -7.432 -3.179 1.00 14.20 N ATOM 992 CA GLN A 68 -0.519 -8.684 -2.469 1.00 1.14 C ATOM 993 C GLN A 68 0.546 -8.620 -1.392 1.00 44.13 C ATOM 994 O GLN A 68 0.465 -9.316 -0.398 1.00 10.05 O ATOM 995 CB GLN A 68 -0.232 -9.787 -3.464 1.00 64.33 C ATOM 996 CG GLN A 68 0.053 -11.145 -2.866 1.00 35.32 C ATOM 997 CD GLN A 68 0.094 -12.222 -3.910 1.00 32.34 C ATOM 998 OE1 GLN A 68 -0.701 -12.073 -4.950 1.00 25.41 O flip ATOM 999 NE2 GLN A 68 0.809 -13.199 -3.771 1.00 53.30 N flip ATOM 0 H GLN A 68 -0.390 -7.490 -4.165 1.00 14.20 H new ATOM 0 HA GLN A 68 -1.458 -8.894 -1.957 1.00 1.14 H new ATOM 0 HB2 GLN A 68 -1.085 -9.877 -4.136 1.00 64.33 H new ATOM 0 HB3 GLN A 68 0.623 -9.491 -4.072 1.00 64.33 H new ATOM 0 HG2 GLN A 68 1.006 -11.116 -2.338 1.00 35.32 H new ATOM 0 HG3 GLN A 68 -0.713 -11.384 -2.128 1.00 35.32 H new ATOM 0 HE21 GLN A 68 1.411 -13.278 -2.951 1.00 53.30 H new ATOM 0 HE22 GLN A 68 0.805 -13.938 -4.474 1.00 53.30 H new ATOM 1008 N VAL A 69 1.507 -7.739 -1.574 1.00 71.35 N ATOM 1009 CA VAL A 69 2.604 -7.593 -0.628 1.00 63.42 C ATOM 1010 C VAL A 69 2.151 -6.924 0.689 1.00 41.05 C ATOM 1011 O VAL A 69 2.926 -6.796 1.631 1.00 73.35 O ATOM 1012 CB VAL A 69 3.774 -6.812 -1.244 1.00 4.41 C ATOM 1013 CG1 VAL A 69 4.315 -7.522 -2.483 1.00 30.15 C ATOM 1014 CG2 VAL A 69 3.374 -5.377 -1.558 1.00 30.21 C ATOM 0 H VAL A 69 1.554 -7.107 -2.373 1.00 71.35 H new ATOM 0 HA VAL A 69 2.945 -8.601 -0.390 1.00 63.42 H new ATOM 0 HB VAL A 69 4.576 -6.775 -0.507 1.00 4.41 H new ATOM 0 HG11 VAL A 69 5.143 -6.948 -2.899 1.00 30.15 H new ATOM 0 HG12 VAL A 69 4.666 -8.517 -2.208 1.00 30.15 H new ATOM 0 HG13 VAL A 69 3.523 -7.609 -3.227 1.00 30.15 H new ATOM 0 HG21 VAL A 69 4.223 -4.849 -1.993 1.00 30.21 H new ATOM 0 HG22 VAL A 69 2.545 -5.377 -2.266 1.00 30.21 H new ATOM 0 HG23 VAL A 69 3.067 -4.876 -0.640 1.00 30.21 H new ATOM 1024 N PHE A 70 0.893 -6.499 0.728 1.00 21.23 N ATOM 1025 CA PHE A 70 0.296 -5.945 1.930 1.00 24.25 C ATOM 1026 C PHE A 70 -0.278 -7.069 2.784 1.00 11.22 C ATOM 1027 O PHE A 70 -0.752 -6.862 3.911 1.00 1.24 O ATOM 1028 CB PHE A 70 -0.776 -4.896 1.581 1.00 22.15 C ATOM 1029 CG PHE A 70 -0.218 -3.517 1.292 1.00 51.51 C ATOM 1030 CD1 PHE A 70 0.782 -3.323 0.353 1.00 54.41 C ATOM 1031 CD2 PHE A 70 -0.703 -2.411 1.978 1.00 23.25 C ATOM 1032 CE1 PHE A 70 1.287 -2.061 0.109 1.00 42.33 C ATOM 1033 CE2 PHE A 70 -0.201 -1.151 1.742 1.00 65.43 C ATOM 1034 CZ PHE A 70 0.796 -0.975 0.805 1.00 34.20 C ATOM 0 H PHE A 70 0.262 -6.530 -0.073 1.00 21.23 H new ATOM 0 HA PHE A 70 1.068 -5.434 2.506 1.00 24.25 H new ATOM 0 HB2 PHE A 70 -1.336 -5.240 0.711 1.00 22.15 H new ATOM 0 HB3 PHE A 70 -1.483 -4.825 2.408 1.00 22.15 H new ATOM 0 HD1 PHE A 70 1.171 -4.169 -0.195 1.00 54.41 H new ATOM 0 HD2 PHE A 70 -1.487 -2.542 2.709 1.00 23.25 H new ATOM 0 HE1 PHE A 70 2.066 -1.924 -0.626 1.00 42.33 H new ATOM 0 HE2 PHE A 70 -0.586 -0.303 2.289 1.00 65.43 H new ATOM 0 HZ PHE A 70 1.192 0.012 0.616 1.00 34.20 H new ATOM 1044 N PHE A 71 -0.217 -8.254 2.241 1.00 53.33 N ATOM 1045 CA PHE A 71 -0.650 -9.437 2.903 1.00 22.40 C ATOM 1046 C PHE A 71 0.546 -10.332 3.076 1.00 4.44 C ATOM 1047 O PHE A 71 1.491 -10.279 2.289 1.00 54.44 O ATOM 1048 CB PHE A 71 -1.701 -10.186 2.076 1.00 40.53 C ATOM 1049 CG PHE A 71 -2.956 -9.419 1.791 1.00 65.23 C ATOM 1050 CD1 PHE A 71 -4.003 -9.420 2.694 1.00 33.50 C ATOM 1051 CD2 PHE A 71 -3.095 -8.713 0.610 1.00 3.55 C ATOM 1052 CE1 PHE A 71 -5.164 -8.727 2.424 1.00 23.23 C ATOM 1053 CE2 PHE A 71 -4.254 -8.024 0.334 1.00 30.30 C ATOM 1054 CZ PHE A 71 -5.290 -8.030 1.241 1.00 11.11 C ATOM 0 H PHE A 71 0.146 -8.419 1.302 1.00 53.33 H new ATOM 0 HA PHE A 71 -1.095 -9.165 3.860 1.00 22.40 H new ATOM 0 HB2 PHE A 71 -1.251 -10.480 1.128 1.00 40.53 H new ATOM 0 HB3 PHE A 71 -1.967 -11.103 2.601 1.00 40.53 H new ATOM 0 HD1 PHE A 71 -3.911 -9.969 3.620 1.00 33.50 H new ATOM 0 HD2 PHE A 71 -2.285 -8.702 -0.104 1.00 3.55 H new ATOM 0 HE1 PHE A 71 -5.974 -8.730 3.138 1.00 23.23 H new ATOM 0 HE2 PHE A 71 -4.351 -7.479 -0.593 1.00 30.30 H new ATOM 0 HZ PHE A 71 -6.200 -7.490 1.026 1.00 11.11 H new ATOM 1064 N THR A 72 0.523 -11.124 4.087 1.00 22.12 N ATOM 1065 CA THR A 72 1.550 -12.081 4.295 1.00 44.01 C ATOM 1066 C THR A 72 1.222 -13.302 3.444 1.00 10.23 C ATOM 1067 O THR A 72 0.076 -13.440 2.957 1.00 23.20 O ATOM 1068 CB THR A 72 1.634 -12.484 5.787 1.00 74.22 C ATOM 1069 OG1 THR A 72 0.351 -12.970 6.224 1.00 51.30 O ATOM 1070 CG2 THR A 72 2.045 -11.296 6.652 1.00 54.31 C ATOM 0 H THR A 72 -0.211 -11.127 4.796 1.00 22.12 H new ATOM 0 HA THR A 72 2.514 -11.659 4.013 1.00 44.01 H new ATOM 0 HB THR A 72 2.387 -13.265 5.891 1.00 74.22 H new ATOM 0 HG1 THR A 72 -0.242 -12.211 6.404 1.00 51.30 H new ATOM 0 HG21 THR A 72 2.096 -11.606 7.696 1.00 54.31 H new ATOM 0 HG22 THR A 72 3.022 -10.934 6.332 1.00 54.31 H new ATOM 0 HG23 THR A 72 1.310 -10.498 6.547 1.00 54.31 H new ATOM 1078 N ASN A 73 2.174 -14.199 3.282 1.00 41.02 N ATOM 1079 CA ASN A 73 1.954 -15.412 2.485 1.00 64.11 C ATOM 1080 C ASN A 73 0.924 -16.323 3.180 1.00 72.24 C ATOM 1081 O ASN A 73 0.346 -17.209 2.575 1.00 52.53 O ATOM 1082 CB ASN A 73 3.282 -16.156 2.225 1.00 64.51 C ATOM 1083 CG ASN A 73 3.165 -17.252 1.163 1.00 34.12 C ATOM 1084 OD1 ASN A 73 3.324 -16.987 -0.036 1.00 64.34 O ATOM 1085 ND2 ASN A 73 2.941 -18.472 1.575 1.00 63.20 N ATOM 0 H ASN A 73 3.107 -14.121 3.686 1.00 41.02 H new ATOM 0 HA ASN A 73 1.553 -15.122 1.514 1.00 64.11 H new ATOM 0 HB2 ASN A 73 4.038 -15.436 1.912 1.00 64.51 H new ATOM 0 HB3 ASN A 73 3.630 -16.599 3.158 1.00 64.51 H new ATOM 0 HD21 ASN A 73 2.893 -19.237 0.902 1.00 63.20 H new ATOM 0 HD22 ASN A 73 2.814 -18.659 2.570 1.00 63.20 H new ATOM 1092 N SER A 74 0.689 -16.064 4.454 1.00 75.11 N ATOM 1093 CA SER A 74 -0.264 -16.812 5.247 1.00 23.20 C ATOM 1094 C SER A 74 -1.719 -16.347 4.992 1.00 12.31 C ATOM 1095 O SER A 74 -2.659 -16.897 5.564 1.00 65.44 O ATOM 1096 CB SER A 74 0.096 -16.640 6.717 1.00 11.35 C ATOM 1097 OG SER A 74 1.464 -16.970 6.927 1.00 40.25 O ATOM 0 H SER A 74 1.160 -15.321 4.970 1.00 75.11 H new ATOM 0 HA SER A 74 -0.213 -17.863 4.961 1.00 23.20 H new ATOM 0 HB2 SER A 74 -0.090 -15.612 7.027 1.00 11.35 H new ATOM 0 HB3 SER A 74 -0.539 -17.278 7.332 1.00 11.35 H new ATOM 0 HG SER A 74 1.687 -16.855 7.874 1.00 40.25 H new ATOM 1103 N GLY A 75 -1.895 -15.339 4.144 1.00 55.42 N ATOM 1104 CA GLY A 75 -3.231 -14.852 3.852 1.00 22.30 C ATOM 1105 C GLY A 75 -3.762 -13.969 4.956 1.00 34.21 C ATOM 1106 O GLY A 75 -4.966 -13.892 5.191 1.00 21.31 O ATOM 0 H GLY A 75 -1.142 -14.853 3.657 1.00 55.42 H new ATOM 0 HA2 GLY A 75 -3.218 -14.294 2.916 1.00 22.30 H new ATOM 0 HA3 GLY A 75 -3.903 -15.698 3.709 1.00 22.30 H new ATOM 1110 N GLN A 76 -2.863 -13.331 5.642 1.00 22.03 N ATOM 1111 CA GLN A 76 -3.206 -12.437 6.719 1.00 54.22 C ATOM 1112 C GLN A 76 -2.582 -11.088 6.427 1.00 22.44 C ATOM 1113 O GLN A 76 -1.487 -11.033 5.870 1.00 11.03 O ATOM 1114 CB GLN A 76 -2.689 -13.013 8.050 1.00 32.41 C ATOM 1115 CG GLN A 76 -2.936 -12.145 9.277 1.00 51.10 C ATOM 1116 CD GLN A 76 -2.414 -12.774 10.554 1.00 62.12 C ATOM 1117 OE1 GLN A 76 -1.448 -13.549 10.542 1.00 42.42 O ATOM 1118 NE2 GLN A 76 -3.027 -12.449 11.662 1.00 74.22 N ATOM 0 H GLN A 76 -1.861 -13.413 5.473 1.00 22.03 H new ATOM 0 HA GLN A 76 -4.287 -12.323 6.802 1.00 54.22 H new ATOM 0 HB2 GLN A 76 -3.157 -13.984 8.212 1.00 32.41 H new ATOM 0 HB3 GLN A 76 -1.617 -13.187 7.959 1.00 32.41 H new ATOM 0 HG2 GLN A 76 -2.459 -11.176 9.133 1.00 51.10 H new ATOM 0 HG3 GLN A 76 -4.006 -11.962 9.378 1.00 51.10 H new ATOM 0 HE21 GLN A 76 -3.820 -11.808 11.637 1.00 74.22 H new ATOM 0 HE22 GLN A 76 -2.712 -12.837 12.551 1.00 74.22 H new ATOM 1127 N VAL A 77 -3.267 -10.025 6.755 1.00 35.42 N ATOM 1128 CA VAL A 77 -2.742 -8.681 6.556 1.00 60.54 C ATOM 1129 C VAL A 77 -1.558 -8.491 7.500 1.00 4.52 C ATOM 1130 O VAL A 77 -1.581 -9.014 8.622 1.00 31.10 O ATOM 1131 CB VAL A 77 -3.828 -7.594 6.855 1.00 54.02 C ATOM 1132 CG1 VAL A 77 -3.300 -6.183 6.596 1.00 21.34 C ATOM 1133 CG2 VAL A 77 -5.088 -7.842 6.036 1.00 40.41 C ATOM 0 H VAL A 77 -4.200 -10.055 7.166 1.00 35.42 H new ATOM 0 HA VAL A 77 -2.436 -8.567 5.516 1.00 60.54 H new ATOM 0 HB VAL A 77 -4.078 -7.672 7.913 1.00 54.02 H new ATOM 0 HG11 VAL A 77 -4.082 -5.456 6.815 1.00 21.34 H new ATOM 0 HG12 VAL A 77 -2.439 -5.993 7.237 1.00 21.34 H new ATOM 0 HG13 VAL A 77 -3.002 -6.092 5.552 1.00 21.34 H new ATOM 0 HG21 VAL A 77 -5.826 -7.073 6.263 1.00 40.41 H new ATOM 0 HG22 VAL A 77 -4.844 -7.809 4.974 1.00 40.41 H new ATOM 0 HG23 VAL A 77 -5.497 -8.822 6.284 1.00 40.41 H new ATOM 1143 N VAL A 78 -0.509 -7.816 7.037 1.00 53.05 N ATOM 1144 CA VAL A 78 0.656 -7.547 7.879 1.00 42.40 C ATOM 1145 C VAL A 78 0.189 -6.778 9.118 1.00 35.05 C ATOM 1146 O VAL A 78 -0.392 -5.699 9.003 1.00 21.55 O ATOM 1147 CB VAL A 78 1.718 -6.707 7.132 1.00 31.14 C ATOM 1148 CG1 VAL A 78 2.947 -6.442 7.998 1.00 12.11 C ATOM 1149 CG2 VAL A 78 2.123 -7.345 5.817 1.00 3.10 C ATOM 0 H VAL A 78 -0.440 -7.447 6.089 1.00 53.05 H new ATOM 0 HA VAL A 78 1.114 -8.497 8.154 1.00 42.40 H new ATOM 0 HB VAL A 78 1.250 -5.748 6.910 1.00 31.14 H new ATOM 0 HG11 VAL A 78 3.668 -5.849 7.435 1.00 12.11 H new ATOM 0 HG12 VAL A 78 2.650 -5.897 8.894 1.00 12.11 H new ATOM 0 HG13 VAL A 78 3.402 -7.390 8.284 1.00 12.11 H new ATOM 0 HG21 VAL A 78 2.870 -6.722 5.325 1.00 3.10 H new ATOM 0 HG22 VAL A 78 2.542 -8.333 6.006 1.00 3.10 H new ATOM 0 HG23 VAL A 78 1.248 -7.439 5.173 1.00 3.10 H new ATOM 1159 N LYS A 79 0.451 -7.318 10.282 1.00 70.02 N ATOM 1160 CA LYS A 79 -0.078 -6.765 11.525 1.00 30.43 C ATOM 1161 C LYS A 79 0.500 -5.396 11.875 1.00 13.45 C ATOM 1162 O LYS A 79 -0.159 -4.585 12.516 1.00 53.22 O ATOM 1163 CB LYS A 79 0.065 -7.749 12.678 1.00 40.24 C ATOM 1164 CG LYS A 79 1.483 -8.048 13.056 1.00 74.13 C ATOM 1165 CD LYS A 79 1.573 -9.174 14.083 1.00 5.54 C ATOM 1166 CE LYS A 79 0.829 -8.843 15.374 1.00 34.41 C ATOM 1167 NZ LYS A 79 0.832 -9.976 16.310 1.00 15.24 N ATOM 0 H LYS A 79 1.032 -8.147 10.405 1.00 70.02 H new ATOM 0 HA LYS A 79 -1.142 -6.601 11.353 1.00 30.43 H new ATOM 0 HB2 LYS A 79 -0.455 -7.350 13.549 1.00 40.24 H new ATOM 0 HB3 LYS A 79 -0.432 -8.681 12.410 1.00 40.24 H new ATOM 0 HG2 LYS A 79 2.046 -8.324 12.164 1.00 74.13 H new ATOM 0 HG3 LYS A 79 1.948 -7.149 13.461 1.00 74.13 H new ATOM 0 HD2 LYS A 79 1.162 -10.088 13.654 1.00 5.54 H new ATOM 0 HD3 LYS A 79 2.620 -9.372 14.311 1.00 5.54 H new ATOM 0 HE2 LYS A 79 1.292 -7.978 15.849 1.00 34.41 H new ATOM 0 HE3 LYS A 79 -0.199 -8.567 15.141 1.00 34.41 H new ATOM 0 HZ1 LYS A 79 0.317 -9.713 17.175 1.00 15.24 H new ATOM 0 HZ2 LYS A 79 0.368 -10.794 15.866 1.00 15.24 H new ATOM 0 HZ3 LYS A 79 1.813 -10.223 16.552 1.00 15.24 H new ATOM 1181 N SER A 80 1.705 -5.127 11.429 1.00 43.21 N ATOM 1182 CA SER A 80 2.346 -3.853 11.702 1.00 64.43 C ATOM 1183 C SER A 80 2.021 -2.819 10.599 1.00 72.14 C ATOM 1184 O SER A 80 2.329 -1.630 10.727 1.00 62.11 O ATOM 1185 CB SER A 80 3.854 -4.077 11.811 1.00 4.53 C ATOM 1186 OG SER A 80 4.136 -5.118 12.744 1.00 10.21 O ATOM 0 H SER A 80 2.266 -5.773 10.873 1.00 43.21 H new ATOM 0 HA SER A 80 1.967 -3.451 12.641 1.00 64.43 H new ATOM 0 HB2 SER A 80 4.261 -4.336 10.834 1.00 4.53 H new ATOM 0 HB3 SER A 80 4.343 -3.155 12.126 1.00 4.53 H new ATOM 0 HG SER A 80 5.105 -5.252 12.802 1.00 10.21 H new ATOM 1192 N LEU A 81 1.357 -3.276 9.548 1.00 44.14 N ATOM 1193 CA LEU A 81 1.059 -2.442 8.394 1.00 15.33 C ATOM 1194 C LEU A 81 0.081 -1.276 8.704 1.00 0.12 C ATOM 1195 O LEU A 81 0.363 -0.141 8.318 1.00 63.24 O ATOM 1196 CB LEU A 81 0.655 -3.313 7.203 1.00 4.12 C ATOM 1197 CG LEU A 81 0.413 -2.661 5.847 1.00 22.23 C ATOM 1198 CD1 LEU A 81 0.576 -3.718 4.790 1.00 24.03 C ATOM 1199 CD2 LEU A 81 -0.990 -2.076 5.745 1.00 52.01 C ATOM 0 H LEU A 81 1.011 -4.232 9.471 1.00 44.14 H new ATOM 0 HA LEU A 81 1.974 -1.922 8.109 1.00 15.33 H new ATOM 0 HB2 LEU A 81 1.432 -4.066 7.070 1.00 4.12 H new ATOM 0 HB3 LEU A 81 -0.257 -3.842 7.479 1.00 4.12 H new ATOM 0 HG LEU A 81 1.126 -1.847 5.716 1.00 22.23 H new ATOM 0 HD11 LEU A 81 0.408 -3.278 3.807 1.00 24.03 H new ATOM 0 HD12 LEU A 81 1.585 -4.127 4.837 1.00 24.03 H new ATOM 0 HD13 LEU A 81 -0.147 -4.516 4.959 1.00 24.03 H new ATOM 0 HD21 LEU A 81 -1.124 -1.620 4.764 1.00 52.01 H new ATOM 0 HD22 LEU A 81 -1.726 -2.869 5.880 1.00 52.01 H new ATOM 0 HD23 LEU A 81 -1.126 -1.320 6.518 1.00 52.01 H new ATOM 1211 N PRO A 82 -1.079 -1.507 9.410 1.00 32.14 N ATOM 1212 CA PRO A 82 -1.976 -0.404 9.809 1.00 53.50 C ATOM 1213 C PRO A 82 -1.221 0.659 10.625 1.00 64.14 C ATOM 1214 O PRO A 82 -1.542 1.846 10.573 1.00 20.10 O ATOM 1215 CB PRO A 82 -3.049 -1.088 10.684 1.00 15.42 C ATOM 1216 CG PRO A 82 -2.521 -2.456 10.966 1.00 24.21 C ATOM 1217 CD PRO A 82 -1.647 -2.812 9.803 1.00 51.42 C ATOM 0 HA PRO A 82 -2.396 0.115 8.948 1.00 53.50 H new ATOM 0 HB2 PRO A 82 -3.214 -0.533 11.607 1.00 15.42 H new ATOM 0 HB3 PRO A 82 -4.006 -1.136 10.165 1.00 15.42 H new ATOM 0 HG2 PRO A 82 -1.955 -2.471 11.898 1.00 24.21 H new ATOM 0 HG3 PRO A 82 -3.335 -3.173 11.076 1.00 24.21 H new ATOM 0 HD2 PRO A 82 -0.870 -3.523 10.083 1.00 51.42 H new ATOM 0 HD3 PRO A 82 -2.217 -3.266 8.992 1.00 51.42 H new ATOM 1225 N GLY A 83 -0.183 0.214 11.332 1.00 71.02 N ATOM 1226 CA GLY A 83 0.639 1.092 12.128 1.00 74.54 C ATOM 1227 C GLY A 83 1.428 2.065 11.270 1.00 11.31 C ATOM 1228 O GLY A 83 1.536 3.244 11.612 1.00 42.31 O ATOM 0 H GLY A 83 0.102 -0.765 11.362 1.00 71.02 H new ATOM 0 HA2 GLY A 83 0.009 1.649 12.822 1.00 74.54 H new ATOM 0 HA3 GLY A 83 1.327 0.498 12.729 1.00 74.54 H new ATOM 1232 N LEU A 84 1.956 1.586 10.134 1.00 62.13 N ATOM 1233 CA LEU A 84 2.717 2.454 9.234 1.00 73.43 C ATOM 1234 C LEU A 84 1.779 3.468 8.614 1.00 30.13 C ATOM 1235 O LEU A 84 2.109 4.638 8.473 1.00 41.00 O ATOM 1236 CB LEU A 84 3.529 1.656 8.157 1.00 61.11 C ATOM 1237 CG LEU A 84 2.777 1.060 6.942 1.00 42.22 C ATOM 1238 CD1 LEU A 84 2.619 2.086 5.810 1.00 45.03 C ATOM 1239 CD2 LEU A 84 3.468 -0.194 6.439 1.00 73.13 C ATOM 0 H LEU A 84 1.871 0.618 9.823 1.00 62.13 H new ATOM 0 HA LEU A 84 3.472 2.979 9.819 1.00 73.43 H new ATOM 0 HB2 LEU A 84 4.305 2.318 7.772 1.00 61.11 H new ATOM 0 HB3 LEU A 84 4.034 0.836 8.667 1.00 61.11 H new ATOM 0 HG LEU A 84 1.777 0.790 7.281 1.00 42.22 H new ATOM 0 HD11 LEU A 84 2.086 1.629 4.976 1.00 45.03 H new ATOM 0 HD12 LEU A 84 2.055 2.945 6.174 1.00 45.03 H new ATOM 0 HD13 LEU A 84 3.603 2.414 5.476 1.00 45.03 H new ATOM 0 HD21 LEU A 84 2.921 -0.594 5.585 1.00 73.13 H new ATOM 0 HD22 LEU A 84 4.486 0.049 6.136 1.00 73.13 H new ATOM 0 HD23 LEU A 84 3.494 -0.939 7.234 1.00 73.13 H new ATOM 1251 N LEU A 85 0.591 3.008 8.262 1.00 31.11 N ATOM 1252 CA LEU A 85 -0.412 3.874 7.687 1.00 1.54 C ATOM 1253 C LEU A 85 -0.803 4.948 8.685 1.00 31.02 C ATOM 1254 O LEU A 85 -0.933 6.108 8.331 1.00 63.52 O ATOM 1255 CB LEU A 85 -1.638 3.073 7.231 1.00 14.31 C ATOM 1256 CG LEU A 85 -1.408 2.064 6.101 1.00 13.25 C ATOM 1257 CD1 LEU A 85 -2.680 1.290 5.810 1.00 33.15 C ATOM 1258 CD2 LEU A 85 -0.936 2.773 4.848 1.00 63.44 C ATOM 0 H LEU A 85 0.301 2.036 8.367 1.00 31.11 H new ATOM 0 HA LEU A 85 0.010 4.355 6.805 1.00 1.54 H new ATOM 0 HB2 LEU A 85 -2.036 2.537 8.093 1.00 14.31 H new ATOM 0 HB3 LEU A 85 -2.406 3.776 6.910 1.00 14.31 H new ATOM 0 HG LEU A 85 -0.638 1.363 6.421 1.00 13.25 H new ATOM 0 HD11 LEU A 85 -2.497 0.579 5.005 1.00 33.15 H new ATOM 0 HD12 LEU A 85 -2.992 0.752 6.705 1.00 33.15 H new ATOM 0 HD13 LEU A 85 -3.467 1.982 5.510 1.00 33.15 H new ATOM 0 HD21 LEU A 85 -0.777 2.043 4.055 1.00 63.44 H new ATOM 0 HD22 LEU A 85 -1.690 3.494 4.532 1.00 63.44 H new ATOM 0 HD23 LEU A 85 -0.001 3.293 5.055 1.00 63.44 H new ATOM 1270 N THR A 86 -0.899 4.555 9.937 1.00 5.31 N ATOM 1271 CA THR A 86 -1.261 5.467 11.015 1.00 42.52 C ATOM 1272 C THR A 86 -0.265 6.647 11.119 1.00 34.43 C ATOM 1273 O THR A 86 -0.681 7.824 11.116 1.00 24.00 O ATOM 1274 CB THR A 86 -1.360 4.715 12.373 1.00 61.43 C ATOM 1275 OG1 THR A 86 -2.400 3.716 12.302 1.00 44.45 O ATOM 1276 CG2 THR A 86 -1.657 5.671 13.519 1.00 34.03 C ATOM 0 H THR A 86 -0.730 3.597 10.242 1.00 5.31 H new ATOM 0 HA THR A 86 -2.242 5.878 10.777 1.00 42.52 H new ATOM 0 HB THR A 86 -0.397 4.241 12.564 1.00 61.43 H new ATOM 0 HG1 THR A 86 -2.066 2.930 11.822 1.00 44.45 H new ATOM 0 HG21 THR A 86 -1.719 5.112 14.452 1.00 34.03 H new ATOM 0 HG22 THR A 86 -0.860 6.411 13.592 1.00 34.03 H new ATOM 0 HG23 THR A 86 -2.605 6.176 13.335 1.00 34.03 H new ATOM 1284 N ILE A 87 1.028 6.335 11.152 1.00 63.53 N ATOM 1285 CA ILE A 87 2.060 7.357 11.263 1.00 1.22 C ATOM 1286 C ILE A 87 2.123 8.237 9.998 1.00 71.44 C ATOM 1287 O ILE A 87 2.223 9.465 10.091 1.00 4.32 O ATOM 1288 CB ILE A 87 3.467 6.751 11.716 1.00 14.23 C ATOM 1289 CG1 ILE A 87 4.618 7.793 11.768 1.00 51.32 C ATOM 1290 CG2 ILE A 87 3.876 5.539 10.891 1.00 23.43 C ATOM 1291 CD1 ILE A 87 5.298 8.094 10.435 1.00 0.22 C ATOM 0 H ILE A 87 1.384 5.381 11.103 1.00 63.53 H new ATOM 0 HA ILE A 87 1.779 8.031 12.072 1.00 1.22 H new ATOM 0 HB ILE A 87 3.300 6.422 12.742 1.00 14.23 H new ATOM 0 HG12 ILE A 87 4.222 8.725 12.172 1.00 51.32 H new ATOM 0 HG13 ILE A 87 5.374 7.438 12.469 1.00 51.32 H new ATOM 0 HG21 ILE A 87 4.839 5.168 11.242 1.00 23.43 H new ATOM 0 HG22 ILE A 87 3.125 4.756 10.998 1.00 23.43 H new ATOM 0 HG23 ILE A 87 3.957 5.824 9.842 1.00 23.43 H new ATOM 0 HD11 ILE A 87 6.085 8.833 10.587 1.00 0.22 H new ATOM 0 HD12 ILE A 87 5.733 7.179 10.033 1.00 0.22 H new ATOM 0 HD13 ILE A 87 4.563 8.486 9.732 1.00 0.22 H new ATOM 1303 N LEU A 88 2.012 7.625 8.834 1.00 52.54 N ATOM 1304 CA LEU A 88 2.019 8.378 7.583 1.00 73.32 C ATOM 1305 C LEU A 88 0.784 9.265 7.440 1.00 15.53 C ATOM 1306 O LEU A 88 0.868 10.380 6.922 1.00 23.13 O ATOM 1307 CB LEU A 88 2.176 7.474 6.372 1.00 10.21 C ATOM 1308 CG LEU A 88 3.605 7.065 5.950 1.00 35.32 C ATOM 1309 CD1 LEU A 88 4.429 8.272 5.552 1.00 54.14 C ATOM 1310 CD2 LEU A 88 4.319 6.281 7.021 1.00 43.11 C ATOM 0 H LEU A 88 1.916 6.616 8.723 1.00 52.54 H new ATOM 0 HA LEU A 88 2.892 9.029 7.625 1.00 73.32 H new ATOM 0 HB2 LEU A 88 1.610 6.562 6.561 1.00 10.21 H new ATOM 0 HB3 LEU A 88 1.706 7.970 5.522 1.00 10.21 H new ATOM 0 HG LEU A 88 3.493 6.414 5.083 1.00 35.32 H new ATOM 0 HD11 LEU A 88 5.429 7.950 5.261 1.00 54.14 H new ATOM 0 HD12 LEU A 88 3.952 8.778 4.713 1.00 54.14 H new ATOM 0 HD13 LEU A 88 4.500 8.958 6.396 1.00 54.14 H new ATOM 0 HD21 LEU A 88 5.318 6.018 6.674 1.00 43.11 H new ATOM 0 HD22 LEU A 88 4.396 6.886 7.925 1.00 43.11 H new ATOM 0 HD23 LEU A 88 3.760 5.371 7.240 1.00 43.11 H new ATOM 1322 N HIS A 89 -0.350 8.785 7.909 1.00 34.51 N ATOM 1323 CA HIS A 89 -1.572 9.579 7.901 1.00 53.24 C ATOM 1324 C HIS A 89 -1.450 10.770 8.826 1.00 72.43 C ATOM 1325 O HIS A 89 -2.003 11.834 8.550 1.00 35.31 O ATOM 1326 CB HIS A 89 -2.826 8.755 8.220 1.00 53.50 C ATOM 1327 CG HIS A 89 -3.292 7.884 7.087 1.00 65.11 C ATOM 1328 ND1 HIS A 89 -3.662 6.562 7.218 1.00 53.20 N ATOM 1329 CD2 HIS A 89 -3.503 8.198 5.791 1.00 43.34 C ATOM 1330 CE1 HIS A 89 -4.077 6.127 6.029 1.00 1.12 C ATOM 1331 NE2 HIS A 89 -4.004 7.089 5.119 1.00 10.20 N ATOM 0 H HIS A 89 -0.456 7.849 8.301 1.00 34.51 H new ATOM 0 HA HIS A 89 -1.698 9.943 6.881 1.00 53.24 H new ATOM 0 HB2 HIS A 89 -2.624 8.127 9.088 1.00 53.50 H new ATOM 0 HB3 HIS A 89 -3.633 9.433 8.498 1.00 53.50 H new ATOM 0 HD2 HIS A 89 -3.312 9.163 5.345 1.00 43.34 H new ATOM 0 HE1 HIS A 89 -4.426 5.124 5.832 1.00 1.12 H new ATOM 0 HE2 HIS A 89 -4.261 7.028 4.134 1.00 10.20 H new ATOM 1339 N ASP A 90 -0.706 10.601 9.915 1.00 62.04 N ATOM 1340 CA ASP A 90 -0.435 11.701 10.850 1.00 14.42 C ATOM 1341 C ASP A 90 0.412 12.776 10.169 1.00 5.41 C ATOM 1342 O ASP A 90 0.276 13.962 10.448 1.00 22.11 O ATOM 1343 CB ASP A 90 0.277 11.193 12.111 1.00 32.52 C ATOM 1344 CG ASP A 90 0.600 12.306 13.091 1.00 14.43 C ATOM 1345 OD1 ASP A 90 -0.314 12.733 13.854 1.00 13.14 O ATOM 1346 OD2 ASP A 90 1.759 12.760 13.141 1.00 60.12 O ATOM 0 H ASP A 90 -0.277 9.713 10.177 1.00 62.04 H new ATOM 0 HA ASP A 90 -1.390 12.133 11.148 1.00 14.42 H new ATOM 0 HB2 ASP A 90 -0.352 10.452 12.604 1.00 32.52 H new ATOM 0 HB3 ASP A 90 1.200 10.688 11.824 1.00 32.52 H new ATOM 1351 N GLY A 91 1.243 12.349 9.235 1.00 21.43 N ATOM 1352 CA GLY A 91 2.064 13.275 8.483 1.00 63.35 C ATOM 1353 C GLY A 91 1.313 13.853 7.293 1.00 40.04 C ATOM 1354 O GLY A 91 1.838 14.698 6.555 1.00 10.34 O ATOM 0 H GLY A 91 1.366 11.369 8.981 1.00 21.43 H new ATOM 0 HA2 GLY A 91 2.391 14.085 9.136 1.00 63.35 H new ATOM 0 HA3 GLY A 91 2.962 12.765 8.134 1.00 63.35 H new ATOM 1358 N GLY A 92 0.090 13.391 7.107 1.00 45.41 N ATOM 1359 CA GLY A 92 -0.758 13.867 6.039 1.00 62.23 C ATOM 1360 C GLY A 92 -0.388 13.297 4.690 1.00 70.33 C ATOM 1361 O GLY A 92 -0.477 13.983 3.676 1.00 13.32 O ATOM 0 H GLY A 92 -0.340 12.676 7.694 1.00 45.41 H new ATOM 0 HA2 GLY A 92 -1.793 13.611 6.264 1.00 62.23 H new ATOM 0 HA3 GLY A 92 -0.701 14.955 5.995 1.00 62.23 H new ATOM 1365 N TYR A 93 0.033 12.057 4.664 1.00 22.44 N ATOM 1366 CA TYR A 93 0.406 11.427 3.415 1.00 21.53 C ATOM 1367 C TYR A 93 -0.732 10.586 2.868 1.00 73.24 C ATOM 1368 O TYR A 93 -1.519 10.018 3.628 1.00 41.32 O ATOM 1369 CB TYR A 93 1.688 10.614 3.567 1.00 73.35 C ATOM 1370 CG TYR A 93 2.883 11.467 3.926 1.00 34.04 C ATOM 1371 CD1 TYR A 93 3.593 12.137 2.949 1.00 63.15 C ATOM 1372 CD2 TYR A 93 3.292 11.610 5.242 1.00 12.32 C ATOM 1373 CE1 TYR A 93 4.678 12.924 3.269 1.00 14.14 C ATOM 1374 CE2 TYR A 93 4.374 12.393 5.570 1.00 54.22 C ATOM 1375 CZ TYR A 93 5.067 13.045 4.578 1.00 21.12 C ATOM 1376 OH TYR A 93 6.153 13.831 4.900 1.00 44.33 O ATOM 0 H TYR A 93 0.127 11.463 5.488 1.00 22.44 H new ATOM 0 HA TYR A 93 0.608 12.214 2.689 1.00 21.53 H new ATOM 0 HB2 TYR A 93 1.543 9.857 4.337 1.00 73.35 H new ATOM 0 HB3 TYR A 93 1.891 10.086 2.635 1.00 73.35 H new ATOM 0 HD1 TYR A 93 3.293 12.042 1.916 1.00 63.15 H new ATOM 0 HD2 TYR A 93 2.752 11.098 6.024 1.00 12.32 H new ATOM 0 HE1 TYR A 93 5.219 13.443 2.492 1.00 14.14 H new ATOM 0 HE2 TYR A 93 4.678 12.495 6.601 1.00 54.22 H new ATOM 0 HH TYR A 93 6.933 13.260 5.064 1.00 44.33 H new ATOM 1386 N ARG A 94 -0.835 10.554 1.565 1.00 65.22 N ATOM 1387 CA ARG A 94 -1.891 9.838 0.866 1.00 31.33 C ATOM 1388 C ARG A 94 -1.404 8.450 0.454 1.00 64.21 C ATOM 1389 O ARG A 94 -0.200 8.168 0.502 1.00 53.14 O ATOM 1390 CB ARG A 94 -2.313 10.633 -0.374 1.00 75.24 C ATOM 1391 CG ARG A 94 -1.308 10.577 -1.512 1.00 2.10 C ATOM 1392 CD ARG A 94 -1.462 11.751 -2.442 1.00 54.12 C ATOM 1393 NE ARG A 94 -0.989 12.973 -1.786 1.00 35.51 N ATOM 1394 CZ ARG A 94 -1.220 14.222 -2.188 1.00 12.04 C ATOM 1395 NH1 ARG A 94 -2.021 14.462 -3.222 1.00 63.53 N ATOM 1396 NH2 ARG A 94 -0.655 15.230 -1.542 1.00 54.22 N ATOM 0 H ARG A 94 -0.182 11.029 0.942 1.00 65.22 H new ATOM 0 HA ARG A 94 -2.747 9.724 1.532 1.00 31.33 H new ATOM 0 HB2 ARG A 94 -3.271 10.253 -0.729 1.00 75.24 H new ATOM 0 HB3 ARG A 94 -2.469 11.674 -0.091 1.00 75.24 H new ATOM 0 HG2 ARG A 94 -0.297 10.564 -1.105 1.00 2.10 H new ATOM 0 HG3 ARG A 94 -1.440 9.650 -2.070 1.00 2.10 H new ATOM 0 HD2 ARG A 94 -0.897 11.577 -3.358 1.00 54.12 H new ATOM 0 HD3 ARG A 94 -2.507 11.864 -2.729 1.00 54.12 H new ATOM 0 HE ARG A 94 -0.430 12.856 -0.941 1.00 35.51 H new ATOM 0 HH11 ARG A 94 -2.464 13.687 -3.714 1.00 63.53 H new ATOM 0 HH12 ARG A 94 -2.192 15.422 -3.523 1.00 63.53 H new ATOM 0 HH21 ARG A 94 -0.048 15.047 -0.743 1.00 54.22 H new ATOM 0 HH22 ARG A 94 -0.827 16.189 -1.843 1.00 54.22 H new ATOM 1410 N ASP A 95 -2.328 7.635 -0.034 1.00 71.21 N ATOM 1411 CA ASP A 95 -2.085 6.228 -0.421 1.00 73.54 C ATOM 1412 C ASP A 95 -0.923 6.068 -1.409 1.00 34.22 C ATOM 1413 O ASP A 95 -0.046 5.222 -1.209 1.00 53.52 O ATOM 1414 CB ASP A 95 -3.369 5.631 -1.047 1.00 43.34 C ATOM 1415 CG ASP A 95 -3.931 6.486 -2.190 1.00 34.40 C ATOM 1416 OD1 ASP A 95 -3.411 6.435 -3.330 1.00 51.11 O ATOM 1417 OD2 ASP A 95 -4.869 7.262 -1.946 1.00 74.12 O ATOM 0 H ASP A 95 -3.294 7.928 -0.180 1.00 71.21 H new ATOM 0 HA ASP A 95 -1.812 5.694 0.489 1.00 73.54 H new ATOM 0 HB2 ASP A 95 -3.153 4.630 -1.421 1.00 43.34 H new ATOM 0 HB3 ASP A 95 -4.129 5.525 -0.273 1.00 43.34 H new ATOM 1422 N THR A 96 -0.895 6.900 -2.418 1.00 71.43 N ATOM 1423 CA THR A 96 0.124 6.864 -3.427 1.00 5.11 C ATOM 1424 C THR A 96 1.512 7.142 -2.827 1.00 0.10 C ATOM 1425 O THR A 96 2.489 6.469 -3.155 1.00 54.42 O ATOM 1426 CB THR A 96 -0.223 7.811 -4.593 1.00 61.12 C ATOM 1427 OG1 THR A 96 -1.540 7.464 -5.105 1.00 24.30 O ATOM 1428 CG2 THR A 96 0.806 7.694 -5.713 1.00 55.34 C ATOM 0 H THR A 96 -1.591 7.631 -2.561 1.00 71.43 H new ATOM 0 HA THR A 96 0.164 5.857 -3.841 1.00 5.11 H new ATOM 0 HB THR A 96 -0.217 8.838 -4.229 1.00 61.12 H new ATOM 0 HG1 THR A 96 -2.066 7.041 -4.395 1.00 24.30 H new ATOM 0 HG21 THR A 96 0.540 8.372 -6.524 1.00 55.34 H new ATOM 0 HG22 THR A 96 1.792 7.957 -5.330 1.00 55.34 H new ATOM 0 HG23 THR A 96 0.823 6.670 -6.086 1.00 55.34 H new ATOM 1436 N GLU A 97 1.567 8.094 -1.910 1.00 72.22 N ATOM 1437 CA GLU A 97 2.812 8.461 -1.259 1.00 32.31 C ATOM 1438 C GLU A 97 3.325 7.309 -0.407 1.00 13.24 C ATOM 1439 O GLU A 97 4.521 7.044 -0.384 1.00 21.13 O ATOM 1440 CB GLU A 97 2.631 9.714 -0.403 1.00 20.24 C ATOM 1441 CG GLU A 97 2.307 10.961 -1.203 1.00 3.13 C ATOM 1442 CD GLU A 97 1.962 12.139 -0.328 1.00 44.15 C ATOM 1443 OE1 GLU A 97 0.805 12.222 0.141 1.00 41.23 O ATOM 1444 OE2 GLU A 97 2.807 13.012 -0.118 1.00 13.50 O ATOM 0 H GLU A 97 0.757 8.630 -1.598 1.00 72.22 H new ATOM 0 HA GLU A 97 3.548 8.680 -2.033 1.00 32.31 H new ATOM 0 HB2 GLU A 97 1.832 9.538 0.317 1.00 20.24 H new ATOM 0 HB3 GLU A 97 3.543 9.887 0.168 1.00 20.24 H new ATOM 0 HG2 GLU A 97 3.161 11.217 -1.831 1.00 3.13 H new ATOM 0 HG3 GLU A 97 1.471 10.752 -1.871 1.00 3.13 H new ATOM 1451 N ILE A 98 2.399 6.592 0.242 1.00 62.42 N ATOM 1452 CA ILE A 98 2.777 5.478 1.134 1.00 74.25 C ATOM 1453 C ILE A 98 3.489 4.403 0.334 1.00 1.31 C ATOM 1454 O ILE A 98 4.584 3.951 0.680 1.00 53.50 O ATOM 1455 CB ILE A 98 1.539 4.772 1.768 1.00 21.20 C ATOM 1456 CG1 ILE A 98 0.527 5.748 2.367 1.00 73.53 C ATOM 1457 CG2 ILE A 98 1.975 3.766 2.813 1.00 21.43 C ATOM 1458 CD1 ILE A 98 1.099 6.749 3.327 1.00 42.40 C ATOM 0 H ILE A 98 1.395 6.756 0.171 1.00 62.42 H new ATOM 0 HA ILE A 98 3.401 5.915 1.913 1.00 74.25 H new ATOM 0 HB ILE A 98 1.033 4.256 0.952 1.00 21.20 H new ATOM 0 HG12 ILE A 98 0.039 6.285 1.554 1.00 73.53 H new ATOM 0 HG13 ILE A 98 -0.246 5.176 2.880 1.00 73.53 H new ATOM 0 HG21 ILE A 98 1.097 3.285 3.243 1.00 21.43 H new ATOM 0 HG22 ILE A 98 2.611 3.012 2.349 1.00 21.43 H new ATOM 0 HG23 ILE A 98 2.531 4.276 3.600 1.00 21.43 H new ATOM 0 HD11 ILE A 98 0.303 7.395 3.696 1.00 42.40 H new ATOM 0 HD12 ILE A 98 1.561 6.227 4.165 1.00 42.40 H new ATOM 0 HD13 ILE A 98 1.850 7.353 2.818 1.00 42.40 H new ATOM 1470 N MET A 99 2.879 4.041 -0.767 1.00 0.24 N ATOM 1471 CA MET A 99 3.404 2.997 -1.607 1.00 52.34 C ATOM 1472 C MET A 99 4.605 3.426 -2.415 1.00 31.30 C ATOM 1473 O MET A 99 5.301 2.573 -2.968 1.00 53.43 O ATOM 1474 CB MET A 99 2.335 2.347 -2.488 1.00 54.30 C ATOM 1475 CG MET A 99 1.499 3.303 -3.299 1.00 52.01 C ATOM 1476 SD MET A 99 0.461 2.444 -4.481 1.00 74.35 S ATOM 1477 CE MET A 99 -0.624 3.767 -4.988 1.00 52.01 C ATOM 0 H MET A 99 2.011 4.459 -1.103 1.00 0.24 H new ATOM 0 HA MET A 99 3.755 2.231 -0.916 1.00 52.34 H new ATOM 0 HB2 MET A 99 2.824 1.650 -3.169 1.00 54.30 H new ATOM 0 HB3 MET A 99 1.672 1.760 -1.853 1.00 54.30 H new ATOM 0 HG2 MET A 99 0.875 3.896 -2.631 1.00 52.01 H new ATOM 0 HG3 MET A 99 2.152 3.999 -3.827 1.00 52.01 H new ATOM 0 HE1 MET A 99 -1.263 3.422 -5.801 1.00 52.01 H new ATOM 0 HE2 MET A 99 -1.243 4.073 -4.145 1.00 52.01 H new ATOM 0 HE3 MET A 99 -0.030 4.615 -5.328 1.00 52.01 H new ATOM 1487 N ARG A 100 4.865 4.738 -2.483 1.00 74.10 N ATOM 1488 CA ARG A 100 5.999 5.235 -3.238 1.00 43.34 C ATOM 1489 C ARG A 100 7.303 4.615 -2.734 1.00 63.14 C ATOM 1490 O ARG A 100 7.926 3.816 -3.430 1.00 72.21 O ATOM 1491 CB ARG A 100 6.099 6.757 -3.187 1.00 12.22 C ATOM 1492 CG ARG A 100 7.251 7.284 -4.014 1.00 71.21 C ATOM 1493 CD ARG A 100 7.433 8.765 -3.853 1.00 43.14 C ATOM 1494 NE ARG A 100 8.557 9.245 -4.656 1.00 74.43 N ATOM 1495 CZ ARG A 100 8.975 10.511 -4.723 1.00 64.34 C ATOM 1496 NH1 ARG A 100 8.407 11.451 -3.971 1.00 64.35 N ATOM 1497 NH2 ARG A 100 9.970 10.829 -5.531 1.00 75.23 N ATOM 0 H ARG A 100 4.307 5.459 -2.027 1.00 74.10 H new ATOM 0 HA ARG A 100 5.839 4.942 -4.276 1.00 43.34 H new ATOM 0 HB2 ARG A 100 5.167 7.193 -3.547 1.00 12.22 H new ATOM 0 HB3 ARG A 100 6.221 7.077 -2.152 1.00 12.22 H new ATOM 0 HG2 ARG A 100 8.169 6.773 -3.723 1.00 71.21 H new ATOM 0 HG3 ARG A 100 7.077 7.053 -5.065 1.00 71.21 H new ATOM 0 HD2 ARG A 100 6.521 9.282 -4.152 1.00 43.14 H new ATOM 0 HD3 ARG A 100 7.604 9.002 -2.803 1.00 43.14 H new ATOM 0 HE ARG A 100 9.064 8.555 -5.211 1.00 74.43 H new ATOM 0 HH11 ARG A 100 7.646 11.206 -3.337 1.00 64.35 H new ATOM 0 HH12 ARG A 100 8.733 12.416 -4.028 1.00 64.35 H new ATOM 0 HH21 ARG A 100 10.415 10.109 -6.100 1.00 75.23 H new ATOM 0 HH22 ARG A 100 10.293 11.795 -5.586 1.00 75.23 H new ATOM 1511 N TRP A 101 7.673 4.940 -1.513 1.00 41.12 N ATOM 1512 CA TRP A 101 8.905 4.434 -0.923 1.00 3.32 C ATOM 1513 C TRP A 101 8.853 2.933 -0.669 1.00 4.51 C ATOM 1514 O TRP A 101 9.862 2.254 -0.773 1.00 10.32 O ATOM 1515 CB TRP A 101 9.319 5.236 0.329 1.00 14.03 C ATOM 1516 CG TRP A 101 8.195 5.547 1.268 1.00 43.53 C ATOM 1517 CD1 TRP A 101 7.473 6.695 1.299 1.00 22.44 C ATOM 1518 CD2 TRP A 101 7.662 4.713 2.303 1.00 71.21 C ATOM 1519 NE1 TRP A 101 6.535 6.635 2.285 1.00 64.21 N ATOM 1520 CE2 TRP A 101 6.624 5.429 2.913 1.00 31.13 C ATOM 1521 CE3 TRP A 101 7.961 3.438 2.770 1.00 63.22 C ATOM 1522 CZ2 TRP A 101 5.884 4.908 3.962 1.00 32.03 C ATOM 1523 CZ3 TRP A 101 7.224 2.922 3.806 1.00 14.51 C ATOM 1524 CH2 TRP A 101 6.195 3.654 4.395 1.00 72.31 C ATOM 0 H TRP A 101 7.137 5.556 -0.902 1.00 41.12 H new ATOM 0 HA TRP A 101 9.693 4.586 -1.661 1.00 3.32 H new ATOM 0 HB2 TRP A 101 10.081 4.674 0.869 1.00 14.03 H new ATOM 0 HB3 TRP A 101 9.778 6.172 0.010 1.00 14.03 H new ATOM 0 HD1 TRP A 101 7.621 7.536 0.637 1.00 22.44 H new ATOM 0 HE1 TRP A 101 5.872 7.375 2.516 1.00 64.21 H new ATOM 0 HE3 TRP A 101 8.760 2.863 2.325 1.00 63.22 H new ATOM 0 HZ2 TRP A 101 5.088 5.476 4.421 1.00 32.03 H new ATOM 0 HZ3 TRP A 101 7.446 1.930 4.172 1.00 14.51 H new ATOM 0 HH2 TRP A 101 5.634 3.220 5.209 1.00 72.31 H new ATOM 1535 N LEU A 102 7.666 2.423 -0.364 1.00 4.34 N ATOM 1536 CA LEU A 102 7.471 0.993 -0.130 1.00 40.14 C ATOM 1537 C LEU A 102 7.878 0.140 -1.332 1.00 20.14 C ATOM 1538 O LEU A 102 8.503 -0.908 -1.174 1.00 33.13 O ATOM 1539 CB LEU A 102 6.014 0.704 0.236 1.00 44.21 C ATOM 1540 CG LEU A 102 5.627 0.792 1.700 1.00 63.35 C ATOM 1541 CD1 LEU A 102 4.121 0.687 1.845 1.00 31.11 C ATOM 1542 CD2 LEU A 102 6.285 -0.331 2.468 1.00 44.34 C ATOM 0 H LEU A 102 6.817 2.981 -0.272 1.00 4.34 H new ATOM 0 HA LEU A 102 8.121 0.721 0.701 1.00 40.14 H new ATOM 0 HB2 LEU A 102 5.384 1.398 -0.320 1.00 44.21 H new ATOM 0 HB3 LEU A 102 5.772 -0.299 -0.116 1.00 44.21 H new ATOM 0 HG LEU A 102 5.960 1.751 2.098 1.00 63.35 H new ATOM 0 HD11 LEU A 102 3.852 0.751 2.899 1.00 31.11 H new ATOM 0 HD12 LEU A 102 3.645 1.501 1.299 1.00 31.11 H new ATOM 0 HD13 LEU A 102 3.782 -0.267 1.441 1.00 31.11 H new ATOM 0 HD21 LEU A 102 6.005 -0.265 3.519 1.00 44.34 H new ATOM 0 HD22 LEU A 102 5.957 -1.289 2.064 1.00 44.34 H new ATOM 0 HD23 LEU A 102 7.368 -0.250 2.375 1.00 44.34 H new ATOM 1554 N PHE A 103 7.552 0.591 -2.521 1.00 60.30 N ATOM 1555 CA PHE A 103 7.871 -0.175 -3.710 1.00 14.23 C ATOM 1556 C PHE A 103 9.166 0.250 -4.353 1.00 73.40 C ATOM 1557 O PHE A 103 9.620 -0.375 -5.318 1.00 73.43 O ATOM 1558 CB PHE A 103 6.731 -0.159 -4.707 1.00 55.54 C ATOM 1559 CG PHE A 103 5.549 -0.959 -4.264 1.00 52.04 C ATOM 1560 CD1 PHE A 103 4.570 -0.400 -3.464 1.00 73.01 C ATOM 1561 CD2 PHE A 103 5.415 -2.272 -4.658 1.00 14.34 C ATOM 1562 CE1 PHE A 103 3.480 -1.134 -3.073 1.00 21.40 C ATOM 1563 CE2 PHE A 103 4.325 -3.011 -4.274 1.00 21.00 C ATOM 1564 CZ PHE A 103 3.354 -2.436 -3.483 1.00 70.10 C ATOM 0 H PHE A 103 7.071 1.474 -2.693 1.00 60.30 H new ATOM 0 HA PHE A 103 8.013 -1.203 -3.378 1.00 14.23 H new ATOM 0 HB2 PHE A 103 6.420 0.872 -4.877 1.00 55.54 H new ATOM 0 HB3 PHE A 103 7.087 -0.547 -5.662 1.00 55.54 H new ATOM 0 HD1 PHE A 103 4.665 0.627 -3.143 1.00 73.01 H new ATOM 0 HD2 PHE A 103 6.176 -2.725 -5.276 1.00 14.34 H new ATOM 0 HE1 PHE A 103 2.723 -0.688 -2.444 1.00 21.40 H new ATOM 0 HE2 PHE A 103 4.228 -4.039 -4.590 1.00 21.00 H new ATOM 0 HZ PHE A 103 2.491 -3.013 -3.185 1.00 70.10 H new ATOM 1574 N THR A 104 9.763 1.269 -3.826 1.00 21.32 N ATOM 1575 CA THR A 104 11.024 1.721 -4.316 1.00 34.30 C ATOM 1576 C THR A 104 12.140 0.954 -3.604 1.00 75.32 C ATOM 1577 O THR A 104 12.196 0.945 -2.372 1.00 41.14 O ATOM 1578 CB THR A 104 11.184 3.248 -4.103 1.00 10.22 C ATOM 1579 OG1 THR A 104 10.129 3.940 -4.810 1.00 62.31 O ATOM 1580 CG2 THR A 104 12.536 3.748 -4.609 1.00 32.04 C ATOM 0 H THR A 104 9.391 1.810 -3.046 1.00 21.32 H new ATOM 0 HA THR A 104 11.082 1.532 -5.388 1.00 34.30 H new ATOM 0 HB THR A 104 11.126 3.448 -3.033 1.00 10.22 H new ATOM 0 HG1 THR A 104 9.259 3.635 -4.479 1.00 62.31 H new ATOM 0 HG21 THR A 104 12.612 4.823 -4.443 1.00 32.04 H new ATOM 0 HG22 THR A 104 13.336 3.240 -4.071 1.00 32.04 H new ATOM 0 HG23 THR A 104 12.626 3.538 -5.675 1.00 32.04 H new ATOM 1588 N PRO A 105 12.980 0.221 -4.355 1.00 4.02 N ATOM 1589 CA PRO A 105 14.133 -0.441 -3.777 1.00 51.41 C ATOM 1590 C PRO A 105 15.083 0.613 -3.239 1.00 63.33 C ATOM 1591 O PRO A 105 15.433 1.570 -3.956 1.00 5.02 O ATOM 1592 CB PRO A 105 14.766 -1.171 -4.972 1.00 3.34 C ATOM 1593 CG PRO A 105 13.674 -1.271 -5.973 1.00 21.03 C ATOM 1594 CD PRO A 105 12.862 -0.032 -5.799 1.00 14.14 C ATOM 0 HA PRO A 105 13.891 -1.116 -2.956 1.00 51.41 H new ATOM 0 HB2 PRO A 105 15.617 -0.618 -5.368 1.00 3.34 H new ATOM 0 HB3 PRO A 105 15.132 -2.157 -4.685 1.00 3.34 H new ATOM 0 HG2 PRO A 105 14.074 -1.340 -6.985 1.00 21.03 H new ATOM 0 HG3 PRO A 105 13.070 -2.163 -5.808 1.00 21.03 H new ATOM 0 HD2 PRO A 105 13.253 0.796 -6.390 1.00 14.14 H new ATOM 0 HD3 PRO A 105 11.826 -0.179 -6.103 1.00 14.14 H new ATOM 1602 N ASP A 106 15.490 0.460 -2.012 1.00 65.30 N ATOM 1603 CA ASP A 106 16.339 1.449 -1.387 1.00 10.31 C ATOM 1604 C ASP A 106 17.775 1.238 -1.824 1.00 31.44 C ATOM 1605 O ASP A 106 18.321 0.138 -1.657 1.00 21.31 O ATOM 1606 CB ASP A 106 16.233 1.390 0.130 1.00 23.12 C ATOM 1607 CG ASP A 106 17.014 2.497 0.818 1.00 52.32 C ATOM 1608 OD1 ASP A 106 18.260 2.409 0.917 1.00 14.34 O ATOM 1609 OD2 ASP A 106 16.388 3.452 1.328 1.00 3.12 O ATOM 0 H ASP A 106 15.252 -0.336 -1.420 1.00 65.30 H new ATOM 0 HA ASP A 106 16.006 2.437 -1.704 1.00 10.31 H new ATOM 0 HB2 ASP A 106 15.184 1.458 0.419 1.00 23.12 H new ATOM 0 HB3 ASP A 106 16.598 0.424 0.478 1.00 23.12 H new ATOM 1614 N PRO A 107 18.409 2.286 -2.371 1.00 10.33 N ATOM 1615 CA PRO A 107 19.773 2.215 -2.919 1.00 71.03 C ATOM 1616 C PRO A 107 20.838 1.810 -1.894 1.00 0.01 C ATOM 1617 O PRO A 107 21.899 1.295 -2.258 1.00 72.23 O ATOM 1618 CB PRO A 107 20.036 3.642 -3.423 1.00 72.44 C ATOM 1619 CG PRO A 107 19.058 4.492 -2.690 1.00 13.22 C ATOM 1620 CD PRO A 107 17.845 3.645 -2.506 1.00 13.53 C ATOM 0 HA PRO A 107 19.839 1.446 -3.688 1.00 71.03 H new ATOM 0 HB2 PRO A 107 21.061 3.951 -3.217 1.00 72.44 H new ATOM 0 HB3 PRO A 107 19.892 3.713 -4.501 1.00 72.44 H new ATOM 0 HG2 PRO A 107 19.461 4.813 -1.729 1.00 13.22 H new ATOM 0 HG3 PRO A 107 18.823 5.394 -3.254 1.00 13.22 H new ATOM 0 HD2 PRO A 107 17.279 3.937 -1.622 1.00 13.53 H new ATOM 0 HD3 PRO A 107 17.168 3.719 -3.357 1.00 13.53 H new ATOM 1628 N SER A 108 20.559 2.005 -0.633 1.00 21.32 N ATOM 1629 CA SER A 108 21.540 1.722 0.373 1.00 72.24 C ATOM 1630 C SER A 108 21.165 0.500 1.188 1.00 35.34 C ATOM 1631 O SER A 108 21.909 0.071 2.061 1.00 64.33 O ATOM 1632 CB SER A 108 21.733 2.947 1.276 1.00 10.32 C ATOM 1633 OG SER A 108 20.500 3.374 1.884 1.00 73.23 O ATOM 0 H SER A 108 19.668 2.356 -0.282 1.00 21.32 H new ATOM 0 HA SER A 108 22.484 1.500 -0.124 1.00 72.24 H new ATOM 0 HB2 SER A 108 22.458 2.711 2.055 1.00 10.32 H new ATOM 0 HB3 SER A 108 22.150 3.766 0.690 1.00 10.32 H new ATOM 0 HG SER A 108 19.802 2.709 1.709 1.00 73.23 H new ATOM 1639 N LEU A 109 20.040 -0.083 0.899 1.00 55.50 N ATOM 1640 CA LEU A 109 19.587 -1.167 1.703 1.00 23.54 C ATOM 1641 C LEU A 109 19.828 -2.500 1.025 1.00 12.45 C ATOM 1642 O LEU A 109 19.511 -2.695 -0.158 1.00 10.42 O ATOM 1643 CB LEU A 109 18.124 -0.969 2.087 1.00 44.15 C ATOM 1644 CG LEU A 109 17.542 -1.931 3.119 1.00 22.33 C ATOM 1645 CD1 LEU A 109 18.387 -1.951 4.382 1.00 35.44 C ATOM 1646 CD2 LEU A 109 16.122 -1.526 3.454 1.00 71.52 C ATOM 0 H LEU A 109 19.430 0.172 0.123 1.00 55.50 H new ATOM 0 HA LEU A 109 20.170 -1.181 2.624 1.00 23.54 H new ATOM 0 HB2 LEU A 109 18.008 0.046 2.467 1.00 44.15 H new ATOM 0 HB3 LEU A 109 17.523 -1.041 1.180 1.00 44.15 H new ATOM 0 HG LEU A 109 17.543 -2.934 2.693 1.00 22.33 H new ATOM 0 HD11 LEU A 109 17.950 -2.644 5.101 1.00 35.44 H new ATOM 0 HD12 LEU A 109 19.400 -2.272 4.137 1.00 35.44 H new ATOM 0 HD13 LEU A 109 18.418 -0.951 4.815 1.00 35.44 H new ATOM 0 HD21 LEU A 109 15.711 -2.216 4.191 1.00 71.52 H new ATOM 0 HD22 LEU A 109 16.119 -0.515 3.862 1.00 71.52 H new ATOM 0 HD23 LEU A 109 15.513 -1.555 2.551 1.00 71.52 H new ATOM 1658 N THR A 110 20.437 -3.371 1.755 1.00 14.02 N ATOM 1659 CA THR A 110 20.722 -4.701 1.330 1.00 41.22 C ATOM 1660 C THR A 110 19.943 -5.616 2.260 1.00 73.24 C ATOM 1661 O THR A 110 20.098 -5.535 3.481 1.00 3.21 O ATOM 1662 CB THR A 110 22.229 -4.973 1.472 1.00 34.14 C ATOM 1663 OG1 THR A 110 22.957 -3.846 0.929 1.00 1.12 O ATOM 1664 CG2 THR A 110 22.629 -6.231 0.716 1.00 44.51 C ATOM 0 H THR A 110 20.763 -3.170 2.700 1.00 14.02 H new ATOM 0 HA THR A 110 20.444 -4.861 0.288 1.00 41.22 H new ATOM 0 HB THR A 110 22.463 -5.114 2.527 1.00 34.14 H new ATOM 0 HG1 THR A 110 23.920 -4.006 1.015 1.00 1.12 H new ATOM 0 HG21 THR A 110 23.699 -6.401 0.833 1.00 44.51 H new ATOM 0 HG22 THR A 110 22.081 -7.085 1.114 1.00 44.51 H new ATOM 0 HG23 THR A 110 22.394 -6.110 -0.341 1.00 44.51 H new ATOM 1672 N ILE A 111 19.088 -6.438 1.716 1.00 22.14 N ATOM 1673 CA ILE A 111 18.224 -7.242 2.538 1.00 71.43 C ATOM 1674 C ILE A 111 18.334 -8.694 2.147 1.00 22.03 C ATOM 1675 O ILE A 111 18.509 -9.019 0.987 1.00 1.32 O ATOM 1676 CB ILE A 111 16.743 -6.811 2.371 1.00 41.41 C ATOM 1677 CG1 ILE A 111 16.576 -5.308 2.564 1.00 41.21 C ATOM 1678 CG2 ILE A 111 15.840 -7.562 3.334 1.00 13.32 C ATOM 1679 CD1 ILE A 111 15.158 -4.823 2.389 1.00 52.33 C ATOM 0 H ILE A 111 18.971 -6.569 0.711 1.00 22.14 H new ATOM 0 HA ILE A 111 18.534 -7.103 3.574 1.00 71.43 H new ATOM 0 HB ILE A 111 16.449 -7.062 1.352 1.00 41.41 H new ATOM 0 HG12 ILE A 111 16.921 -5.039 3.562 1.00 41.21 H new ATOM 0 HG13 ILE A 111 17.218 -4.787 1.854 1.00 41.21 H new ATOM 0 HG21 ILE A 111 14.809 -7.238 3.193 1.00 13.32 H new ATOM 0 HG22 ILE A 111 15.914 -8.632 3.142 1.00 13.32 H new ATOM 0 HG23 ILE A 111 16.148 -7.355 4.359 1.00 13.32 H new ATOM 0 HD11 ILE A 111 15.121 -3.744 2.542 1.00 52.33 H new ATOM 0 HD12 ILE A 111 14.815 -5.059 1.382 1.00 52.33 H new ATOM 0 HD13 ILE A 111 14.513 -5.315 3.117 1.00 52.33 H new ATOM 1805 N VAL A 120 20.350 -9.431 -0.918 1.00 1.23 N ATOM 1806 CA VAL A 120 19.917 -8.811 -2.132 1.00 62.05 C ATOM 1807 C VAL A 120 20.103 -7.320 -1.970 1.00 21.43 C ATOM 1808 O VAL A 120 19.557 -6.713 -1.037 1.00 70.53 O ATOM 1809 CB VAL A 120 18.415 -9.108 -2.420 1.00 22.20 C ATOM 1810 CG1 VAL A 120 17.975 -8.507 -3.750 1.00 32.01 C ATOM 1811 CG2 VAL A 120 18.138 -10.605 -2.391 1.00 0.25 C ATOM 0 HA VAL A 120 20.499 -9.203 -2.966 1.00 62.05 H new ATOM 0 HB VAL A 120 17.831 -8.637 -1.629 1.00 22.20 H new ATOM 0 HG11 VAL A 120 16.922 -8.732 -3.921 1.00 32.01 H new ATOM 0 HG12 VAL A 120 18.115 -7.426 -3.725 1.00 32.01 H new ATOM 0 HG13 VAL A 120 18.572 -8.932 -4.557 1.00 32.01 H new ATOM 0 HG21 VAL A 120 17.082 -10.784 -2.595 1.00 0.25 H new ATOM 0 HG22 VAL A 120 18.743 -11.102 -3.149 1.00 0.25 H new ATOM 0 HG23 VAL A 120 18.390 -11.003 -1.408 1.00 0.25 H new ATOM 1821 N SER A 121 20.899 -6.749 -2.808 1.00 24.44 N ATOM 1822 CA SER A 121 21.145 -5.344 -2.768 1.00 32.21 C ATOM 1823 C SER A 121 20.024 -4.593 -3.473 1.00 24.31 C ATOM 1824 O SER A 121 19.530 -5.039 -4.515 1.00 21.41 O ATOM 1825 CB SER A 121 22.520 -5.061 -3.372 1.00 51.42 C ATOM 1826 OG SER A 121 22.720 -5.837 -4.556 1.00 54.32 O ATOM 0 H SER A 121 21.401 -7.244 -3.545 1.00 24.44 H new ATOM 0 HA SER A 121 21.155 -4.988 -1.738 1.00 32.21 H new ATOM 0 HB2 SER A 121 22.608 -4.000 -3.607 1.00 51.42 H new ATOM 0 HB3 SER A 121 23.297 -5.292 -2.644 1.00 51.42 H new ATOM 0 HG SER A 121 23.605 -5.641 -4.930 1.00 54.32 H new ATOM 1832 N ASN A 122 19.603 -3.487 -2.869 1.00 24.43 N ATOM 1833 CA ASN A 122 18.535 -2.640 -3.368 1.00 63.21 C ATOM 1834 C ASN A 122 17.211 -3.361 -3.282 1.00 61.41 C ATOM 1835 O ASN A 122 16.635 -3.759 -4.296 1.00 1.31 O ATOM 1836 CB ASN A 122 18.768 -2.117 -4.812 1.00 62.53 C ATOM 1837 CG ASN A 122 20.060 -1.349 -4.999 1.00 51.43 C ATOM 1838 OD1 ASN A 122 20.117 -0.142 -4.796 1.00 14.40 O ATOM 1839 ND2 ASN A 122 21.092 -2.020 -5.446 1.00 61.24 N ATOM 0 H ASN A 122 20.008 -3.149 -1.996 1.00 24.43 H new ATOM 0 HA ASN A 122 18.524 -1.760 -2.725 1.00 63.21 H new ATOM 0 HB2 ASN A 122 18.761 -2.964 -5.498 1.00 62.53 H new ATOM 0 HB3 ASN A 122 17.934 -1.474 -5.091 1.00 62.53 H new ATOM 0 HD21 ASN A 122 21.971 -1.538 -5.634 1.00 61.24 H new ATOM 0 HD22 ASN A 122 21.017 -3.025 -5.606 1.00 61.24 H new ATOM 1846 N ALA A 123 16.764 -3.621 -2.080 1.00 15.33 N ATOM 1847 CA ALA A 123 15.485 -4.251 -1.909 1.00 73.33 C ATOM 1848 C ALA A 123 14.489 -3.251 -1.331 1.00 51.24 C ATOM 1849 O ALA A 123 14.874 -2.142 -0.919 1.00 11.33 O ATOM 1850 CB ALA A 123 15.615 -5.499 -1.058 1.00 1.43 C ATOM 0 H ALA A 123 17.262 -3.408 -1.216 1.00 15.33 H new ATOM 0 HA ALA A 123 15.103 -4.571 -2.878 1.00 73.33 H new ATOM 0 HB1 ALA A 123 14.636 -5.962 -0.940 1.00 1.43 H new ATOM 0 HB2 ALA A 123 16.292 -6.201 -1.543 1.00 1.43 H new ATOM 0 HB3 ALA A 123 16.011 -5.232 -0.078 1.00 1.43 H new ATOM 1856 N ARG A 124 13.231 -3.617 -1.320 1.00 22.11 N ATOM 1857 CA ARG A 124 12.172 -2.740 -0.867 1.00 25.02 C ATOM 1858 C ARG A 124 11.951 -2.903 0.622 1.00 64.32 C ATOM 1859 O ARG A 124 12.281 -3.946 1.187 1.00 72.03 O ATOM 1860 CB ARG A 124 10.869 -3.120 -1.558 1.00 64.34 C ATOM 1861 CG ARG A 124 10.869 -2.996 -3.052 1.00 54.44 C ATOM 1862 CD ARG A 124 9.578 -3.549 -3.609 1.00 13.12 C ATOM 1863 NE ARG A 124 9.432 -3.331 -5.049 1.00 45.23 N ATOM 1864 CZ ARG A 124 8.690 -4.099 -5.861 1.00 51.43 C ATOM 1865 NH1 ARG A 124 8.125 -5.212 -5.398 1.00 60.34 N ATOM 1866 NH2 ARG A 124 8.539 -3.774 -7.133 1.00 70.21 N ATOM 0 H ARG A 124 12.908 -4.535 -1.626 1.00 22.11 H new ATOM 0 HA ARG A 124 12.460 -1.714 -1.098 1.00 25.02 H new ATOM 0 HB2 ARG A 124 10.627 -4.150 -1.297 1.00 64.34 H new ATOM 0 HB3 ARG A 124 10.071 -2.494 -1.159 1.00 64.34 H new ATOM 0 HG2 ARG A 124 10.982 -1.951 -3.340 1.00 54.44 H new ATOM 0 HG3 ARG A 124 11.718 -3.536 -3.471 1.00 54.44 H new ATOM 0 HD2 ARG A 124 9.529 -4.618 -3.403 1.00 13.12 H new ATOM 0 HD3 ARG A 124 8.738 -3.086 -3.091 1.00 13.12 H new ATOM 0 HE ARG A 124 9.928 -2.542 -5.463 1.00 45.23 H new ATOM 0 HH11 ARG A 124 8.256 -5.483 -4.423 1.00 60.34 H new ATOM 0 HH12 ARG A 124 7.561 -5.794 -6.018 1.00 60.34 H new ATOM 0 HH21 ARG A 124 8.988 -2.936 -7.502 1.00 70.21 H new ATOM 0 HH22 ARG A 124 7.974 -4.362 -7.746 1.00 70.21 H new ATOM 1880 N PRO A 125 11.365 -1.891 1.290 1.00 11.43 N ATOM 1881 CA PRO A 125 10.939 -2.024 2.688 1.00 20.12 C ATOM 1882 C PRO A 125 9.900 -3.161 2.814 1.00 22.11 C ATOM 1883 O PRO A 125 9.761 -3.795 3.861 1.00 42.44 O ATOM 1884 CB PRO A 125 10.295 -0.667 3.001 1.00 23.34 C ATOM 1885 CG PRO A 125 10.903 0.278 2.021 1.00 64.53 C ATOM 1886 CD PRO A 125 11.142 -0.519 0.772 1.00 22.51 C ATOM 0 HA PRO A 125 11.756 -2.268 3.368 1.00 20.12 H new ATOM 0 HB2 PRO A 125 9.211 -0.708 2.891 1.00 23.34 H new ATOM 0 HB3 PRO A 125 10.499 -0.359 4.026 1.00 23.34 H new ATOM 0 HG2 PRO A 125 10.238 1.119 1.826 1.00 64.53 H new ATOM 0 HG3 PRO A 125 11.836 0.691 2.405 1.00 64.53 H new ATOM 0 HD2 PRO A 125 10.288 -0.476 0.096 1.00 22.51 H new ATOM 0 HD3 PRO A 125 12.006 -0.151 0.218 1.00 22.51 H new ATOM 1894 N VAL A 126 9.206 -3.421 1.707 1.00 2.11 N ATOM 1895 CA VAL A 126 8.258 -4.521 1.597 1.00 24.04 C ATOM 1896 C VAL A 126 8.995 -5.863 1.779 1.00 61.11 C ATOM 1897 O VAL A 126 8.487 -6.795 2.415 1.00 1.45 O ATOM 1898 CB VAL A 126 7.541 -4.488 0.220 1.00 54.00 C ATOM 1899 CG1 VAL A 126 6.599 -5.652 0.063 1.00 11.15 C ATOM 1900 CG2 VAL A 126 6.771 -3.199 0.058 1.00 34.31 C ATOM 0 H VAL A 126 9.289 -2.867 0.855 1.00 2.11 H new ATOM 0 HA VAL A 126 7.506 -4.415 2.379 1.00 24.04 H new ATOM 0 HB VAL A 126 8.309 -4.555 -0.550 1.00 54.00 H new ATOM 0 HG11 VAL A 126 6.114 -5.598 -0.912 1.00 11.15 H new ATOM 0 HG12 VAL A 126 7.157 -6.585 0.140 1.00 11.15 H new ATOM 0 HG13 VAL A 126 5.843 -5.616 0.847 1.00 11.15 H new ATOM 0 HG21 VAL A 126 6.274 -3.191 -0.912 1.00 34.31 H new ATOM 0 HG22 VAL A 126 6.025 -3.119 0.848 1.00 34.31 H new ATOM 0 HG23 VAL A 126 7.458 -2.355 0.121 1.00 34.31 H new ATOM 1910 N ASP A 127 10.196 -5.950 1.230 1.00 25.23 N ATOM 1911 CA ASP A 127 11.021 -7.141 1.407 1.00 50.21 C ATOM 1912 C ASP A 127 11.475 -7.225 2.850 1.00 33.13 C ATOM 1913 O ASP A 127 11.405 -8.276 3.472 1.00 11.34 O ATOM 1914 CB ASP A 127 12.258 -7.135 0.487 1.00 2.41 C ATOM 1915 CG ASP A 127 11.928 -7.183 -0.987 1.00 71.04 C ATOM 1916 OD1 ASP A 127 11.703 -8.290 -1.521 1.00 41.30 O ATOM 1917 OD2 ASP A 127 11.903 -6.116 -1.638 1.00 11.45 O ATOM 0 H ASP A 127 10.622 -5.218 0.662 1.00 25.23 H new ATOM 0 HA ASP A 127 10.413 -8.006 1.142 1.00 50.21 H new ATOM 0 HB2 ASP A 127 12.844 -6.238 0.689 1.00 2.41 H new ATOM 0 HB3 ASP A 127 12.887 -7.989 0.736 1.00 2.41 H new ATOM 1922 N ALA A 128 11.866 -6.077 3.392 1.00 1.40 N ATOM 1923 CA ALA A 128 12.391 -5.963 4.750 1.00 21.25 C ATOM 1924 C ALA A 128 11.401 -6.434 5.809 1.00 64.44 C ATOM 1925 O ALA A 128 11.791 -7.110 6.754 1.00 1.24 O ATOM 1926 CB ALA A 128 12.816 -4.531 5.049 1.00 24.01 C ATOM 0 H ALA A 128 11.827 -5.187 2.895 1.00 1.40 H new ATOM 0 HA ALA A 128 13.259 -6.621 4.796 1.00 21.25 H new ATOM 0 HB1 ALA A 128 13.204 -4.471 6.066 1.00 24.01 H new ATOM 0 HB2 ALA A 128 13.592 -4.228 4.347 1.00 24.01 H new ATOM 0 HB3 ALA A 128 11.957 -3.868 4.949 1.00 24.01 H new ATOM 1932 N LEU A 129 10.132 -6.101 5.651 1.00 60.51 N ATOM 1933 CA LEU A 129 9.133 -6.476 6.644 1.00 64.22 C ATOM 1934 C LEU A 129 8.958 -8.001 6.740 1.00 0.31 C ATOM 1935 O LEU A 129 8.903 -8.557 7.839 1.00 35.32 O ATOM 1936 CB LEU A 129 7.810 -5.689 6.452 1.00 2.44 C ATOM 1937 CG LEU A 129 7.038 -5.899 5.153 1.00 3.21 C ATOM 1938 CD1 LEU A 129 6.138 -7.112 5.253 1.00 11.03 C ATOM 1939 CD2 LEU A 129 6.249 -4.654 4.776 1.00 4.24 C ATOM 0 H LEU A 129 9.769 -5.577 4.855 1.00 60.51 H new ATOM 0 HA LEU A 129 9.504 -6.176 7.624 1.00 64.22 H new ATOM 0 HB2 LEU A 129 7.147 -5.942 7.280 1.00 2.44 H new ATOM 0 HB3 LEU A 129 8.037 -4.626 6.538 1.00 2.44 H new ATOM 0 HG LEU A 129 7.760 -6.083 4.357 1.00 3.21 H new ATOM 0 HD11 LEU A 129 5.597 -7.242 4.315 1.00 11.03 H new ATOM 0 HD12 LEU A 129 6.742 -7.998 5.450 1.00 11.03 H new ATOM 0 HD13 LEU A 129 5.426 -6.971 6.066 1.00 11.03 H new ATOM 0 HD21 LEU A 129 5.709 -4.833 3.846 1.00 4.24 H new ATOM 0 HD22 LEU A 129 5.539 -4.419 5.569 1.00 4.24 H new ATOM 0 HD23 LEU A 129 6.933 -3.816 4.642 1.00 4.24 H new ATOM 1951 N HIS A 130 8.967 -8.682 5.594 1.00 63.05 N ATOM 1952 CA HIS A 130 8.877 -10.145 5.571 1.00 31.24 C ATOM 1953 C HIS A 130 10.209 -10.779 5.928 1.00 62.22 C ATOM 1954 O HIS A 130 10.292 -11.975 6.233 1.00 64.23 O ATOM 1955 CB HIS A 130 8.369 -10.677 4.218 1.00 73.34 C ATOM 1956 CG HIS A 130 6.886 -10.557 4.026 1.00 52.04 C ATOM 1957 ND1 HIS A 130 6.281 -9.826 3.026 1.00 14.30 N ATOM 1958 CD2 HIS A 130 5.878 -11.133 4.727 1.00 3.33 C ATOM 1959 CE1 HIS A 130 4.957 -9.972 3.152 1.00 61.31 C ATOM 1960 NE2 HIS A 130 4.662 -10.762 4.175 1.00 55.43 N ATOM 0 H HIS A 130 9.035 -8.248 4.673 1.00 63.05 H new ATOM 0 HA HIS A 130 8.144 -10.428 6.326 1.00 31.24 H new ATOM 0 HB2 HIS A 130 8.872 -10.137 3.416 1.00 73.34 H new ATOM 0 HB3 HIS A 130 8.652 -11.725 4.123 1.00 73.34 H new ATOM 0 HD1 HIS A 130 6.758 -9.272 2.315 1.00 14.30 H new ATOM 0 HD2 HIS A 130 6.003 -11.780 5.582 1.00 3.33 H new ATOM 0 HE1 HIS A 130 4.226 -9.508 2.506 1.00 61.31 H new ATOM 1968 N ALA A 131 11.240 -9.970 5.901 1.00 1.13 N ATOM 1969 CA ALA A 131 12.593 -10.410 6.215 1.00 5.42 C ATOM 1970 C ALA A 131 12.940 -10.158 7.684 1.00 12.40 C ATOM 1971 O ALA A 131 14.090 -10.354 8.101 1.00 5.21 O ATOM 1972 CB ALA A 131 13.582 -9.689 5.328 1.00 2.24 C ATOM 0 H ALA A 131 11.172 -8.981 5.660 1.00 1.13 H new ATOM 0 HA ALA A 131 12.647 -11.484 6.036 1.00 5.42 H new ATOM 0 HB1 ALA A 131 14.593 -10.020 5.566 1.00 2.24 H new ATOM 0 HB2 ALA A 131 13.363 -9.911 4.284 1.00 2.24 H new ATOM 0 HB3 ALA A 131 13.504 -8.615 5.494 1.00 2.24 H new ATOM 1978 N HIS A 132 11.943 -9.707 8.454 1.00 63.12 N ATOM 1979 CA HIS A 132 12.090 -9.410 9.898 1.00 62.22 C ATOM 1980 C HIS A 132 13.014 -8.218 10.147 1.00 41.22 C ATOM 1981 O HIS A 132 13.607 -8.075 11.214 1.00 42.15 O ATOM 1982 CB HIS A 132 12.545 -10.650 10.708 1.00 3.44 C ATOM 1983 CG HIS A 132 11.514 -11.738 10.787 1.00 64.52 C ATOM 1984 ND1 HIS A 132 11.683 -13.017 10.291 1.00 21.20 N ATOM 1985 CD2 HIS A 132 10.284 -11.719 11.349 1.00 30.42 C ATOM 1986 CE1 HIS A 132 10.577 -13.714 10.560 1.00 53.24 C ATOM 1987 NE2 HIS A 132 9.689 -12.973 11.205 1.00 54.33 N ATOM 0 H HIS A 132 11.003 -9.534 8.098 1.00 63.12 H new ATOM 0 HA HIS A 132 11.098 -9.136 10.257 1.00 62.22 H new ATOM 0 HB2 HIS A 132 13.451 -11.054 10.256 1.00 3.44 H new ATOM 0 HB3 HIS A 132 12.805 -10.336 11.719 1.00 3.44 H new ATOM 0 HD2 HIS A 132 9.833 -10.866 11.834 1.00 30.42 H new ATOM 0 HE1 HIS A 132 10.426 -14.748 10.287 1.00 53.24 H new ATOM 0 HE2 HIS A 132 8.765 -13.259 11.528 1.00 54.33 H new ATOM 1995 N GLN A 133 13.055 -7.326 9.184 1.00 62.14 N ATOM 1996 CA GLN A 133 13.828 -6.099 9.266 1.00 60.01 C ATOM 1997 C GLN A 133 12.871 -4.907 9.253 1.00 25.55 C ATOM 1998 O GLN A 133 13.242 -3.772 8.941 1.00 50.31 O ATOM 1999 CB GLN A 133 14.862 -6.032 8.134 1.00 45.03 C ATOM 2000 CG GLN A 133 15.898 -7.144 8.229 1.00 3.22 C ATOM 2001 CD GLN A 133 17.017 -7.053 7.211 1.00 52.34 C ATOM 2002 OE1 GLN A 133 17.397 -5.967 6.767 1.00 11.42 O ATOM 2003 NE2 GLN A 133 17.572 -8.183 6.859 1.00 64.10 N ATOM 0 H GLN A 133 12.546 -7.430 8.306 1.00 62.14 H new ATOM 0 HA GLN A 133 14.391 -6.074 10.199 1.00 60.01 H new ATOM 0 HB2 GLN A 133 14.350 -6.097 7.174 1.00 45.03 H new ATOM 0 HB3 GLN A 133 15.366 -5.066 8.162 1.00 45.03 H new ATOM 0 HG2 GLN A 133 16.332 -7.133 9.229 1.00 3.22 H new ATOM 0 HG3 GLN A 133 15.394 -8.103 8.111 1.00 3.22 H new ATOM 0 HE21 GLN A 133 17.230 -9.062 7.248 1.00 64.10 H new ATOM 0 HE22 GLN A 133 18.347 -8.186 6.196 1.00 64.10 H new ATOM 2012 N ALA A 134 11.635 -5.205 9.658 1.00 54.21 N ATOM 2013 CA ALA A 134 10.502 -4.273 9.732 1.00 52.53 C ATOM 2014 C ALA A 134 10.826 -3.024 10.556 1.00 44.04 C ATOM 2015 O ALA A 134 10.264 -1.958 10.318 1.00 22.32 O ATOM 2016 CB ALA A 134 9.274 -4.975 10.293 1.00 3.53 C ATOM 0 H ALA A 134 11.382 -6.147 9.958 1.00 54.21 H new ATOM 0 HA ALA A 134 10.293 -3.941 8.715 1.00 52.53 H new ATOM 0 HB1 ALA A 134 8.443 -4.271 10.342 1.00 3.53 H new ATOM 0 HB2 ALA A 134 9.005 -5.810 9.646 1.00 3.53 H new ATOM 0 HB3 ALA A 134 9.493 -5.347 11.294 1.00 3.53 H new ATOM 2022 N ARG A 135 11.729 -3.171 11.521 1.00 44.15 N ATOM 2023 CA ARG A 135 12.177 -2.054 12.364 1.00 74.11 C ATOM 2024 C ARG A 135 12.722 -0.910 11.500 1.00 71.25 C ATOM 2025 O ARG A 135 12.466 0.261 11.775 1.00 52.52 O ATOM 2026 CB ARG A 135 13.265 -2.529 13.313 1.00 70.24 C ATOM 2027 CG ARG A 135 12.802 -3.591 14.288 1.00 71.33 C ATOM 2028 CD ARG A 135 13.972 -4.192 15.026 1.00 5.24 C ATOM 2029 NE ARG A 135 14.973 -4.735 14.091 1.00 72.14 N ATOM 2030 CZ ARG A 135 15.276 -6.035 13.928 1.00 34.54 C ATOM 2031 NH1 ARG A 135 14.599 -6.989 14.564 1.00 21.24 N ATOM 2032 NH2 ARG A 135 16.235 -6.369 13.088 1.00 60.44 N ATOM 0 H ARG A 135 12.173 -4.062 11.744 1.00 44.15 H new ATOM 0 HA ARG A 135 11.323 -1.690 12.935 1.00 74.11 H new ATOM 0 HB2 ARG A 135 14.097 -2.922 12.729 1.00 70.24 H new ATOM 0 HB3 ARG A 135 13.644 -1.675 13.873 1.00 70.24 H new ATOM 0 HG2 ARG A 135 12.102 -3.155 15.001 1.00 71.33 H new ATOM 0 HG3 ARG A 135 12.265 -4.373 13.752 1.00 71.33 H new ATOM 0 HD2 ARG A 135 14.435 -3.434 15.657 1.00 5.24 H new ATOM 0 HD3 ARG A 135 13.620 -4.985 15.686 1.00 5.24 H new ATOM 0 HE ARG A 135 15.482 -4.064 13.515 1.00 72.14 H new ATOM 0 HH11 ARG A 135 13.833 -6.740 15.190 1.00 21.24 H new ATOM 0 HH12 ARG A 135 14.846 -7.969 14.425 1.00 21.24 H new ATOM 0 HH21 ARG A 135 16.736 -5.646 12.572 1.00 60.44 H new ATOM 0 HH22 ARG A 135 16.476 -7.351 12.954 1.00 60.44 H new ATOM 2046 N GLU A 136 13.431 -1.261 10.430 1.00 12.45 N ATOM 2047 CA GLU A 136 13.955 -0.272 9.509 1.00 34.24 C ATOM 2048 C GLU A 136 12.853 0.327 8.663 1.00 32.34 C ATOM 2049 O GLU A 136 12.933 1.475 8.271 1.00 30.52 O ATOM 2050 CB GLU A 136 15.060 -0.848 8.628 1.00 42.51 C ATOM 2051 CG GLU A 136 16.399 -0.949 9.321 1.00 15.35 C ATOM 2052 CD GLU A 136 16.906 0.415 9.727 1.00 72.32 C ATOM 2053 OE1 GLU A 136 17.241 1.229 8.823 1.00 3.13 O ATOM 2054 OE2 GLU A 136 16.948 0.720 10.940 1.00 10.22 O ATOM 0 H GLU A 136 13.653 -2.226 10.184 1.00 12.45 H new ATOM 0 HA GLU A 136 14.394 0.524 10.110 1.00 34.24 H new ATOM 0 HB2 GLU A 136 14.761 -1.839 8.288 1.00 42.51 H new ATOM 0 HB3 GLU A 136 15.166 -0.225 7.740 1.00 42.51 H new ATOM 0 HG2 GLU A 136 16.309 -1.584 10.202 1.00 15.35 H new ATOM 0 HG3 GLU A 136 17.120 -1.426 8.657 1.00 15.35 H new ATOM 2061 N VAL A 137 11.818 -0.447 8.408 1.00 34.02 N ATOM 2062 CA VAL A 137 10.678 0.020 7.631 1.00 54.30 C ATOM 2063 C VAL A 137 9.953 1.106 8.413 1.00 43.30 C ATOM 2064 O VAL A 137 9.700 2.191 7.897 1.00 12.23 O ATOM 2065 CB VAL A 137 9.690 -1.136 7.318 1.00 12.24 C ATOM 2066 CG1 VAL A 137 8.513 -0.656 6.471 1.00 60.13 C ATOM 2067 CG2 VAL A 137 10.414 -2.274 6.631 1.00 53.14 C ATOM 0 H VAL A 137 11.739 -1.412 8.729 1.00 34.02 H new ATOM 0 HA VAL A 137 11.048 0.414 6.684 1.00 54.30 H new ATOM 0 HB VAL A 137 9.286 -1.496 8.264 1.00 12.24 H new ATOM 0 HG11 VAL A 137 7.843 -1.492 6.272 1.00 60.13 H new ATOM 0 HG12 VAL A 137 7.972 0.123 7.008 1.00 60.13 H new ATOM 0 HG13 VAL A 137 8.883 -0.255 5.527 1.00 60.13 H new ATOM 0 HG21 VAL A 137 9.709 -3.078 6.418 1.00 53.14 H new ATOM 0 HG22 VAL A 137 10.851 -1.917 5.698 1.00 53.14 H new ATOM 0 HG23 VAL A 137 11.204 -2.648 7.282 1.00 53.14 H new ATOM 2077 N VAL A 138 9.675 0.815 9.679 1.00 21.42 N ATOM 2078 CA VAL A 138 8.998 1.759 10.560 1.00 25.22 C ATOM 2079 C VAL A 138 9.853 3.014 10.739 1.00 4.52 C ATOM 2080 O VAL A 138 9.370 4.128 10.576 1.00 20.32 O ATOM 2081 CB VAL A 138 8.689 1.133 11.952 1.00 10.43 C ATOM 2082 CG1 VAL A 138 7.969 2.136 12.848 1.00 22.24 C ATOM 2083 CG2 VAL A 138 7.854 -0.132 11.801 1.00 74.32 C ATOM 0 H VAL A 138 9.910 -0.074 10.120 1.00 21.42 H new ATOM 0 HA VAL A 138 8.049 2.022 10.092 1.00 25.22 H new ATOM 0 HB VAL A 138 9.637 0.869 12.420 1.00 10.43 H new ATOM 0 HG11 VAL A 138 7.763 1.678 13.815 1.00 22.24 H new ATOM 0 HG12 VAL A 138 8.598 3.015 12.990 1.00 22.24 H new ATOM 0 HG13 VAL A 138 7.030 2.434 12.380 1.00 22.24 H new ATOM 0 HG21 VAL A 138 7.650 -0.553 12.786 1.00 74.32 H new ATOM 0 HG22 VAL A 138 6.913 0.110 11.307 1.00 74.32 H new ATOM 0 HG23 VAL A 138 8.401 -0.860 11.202 1.00 74.32 H new ATOM 2093 N ARG A 139 11.131 2.806 11.015 1.00 73.53 N ATOM 2094 CA ARG A 139 12.095 3.890 11.204 1.00 71.51 C ATOM 2095 C ARG A 139 12.153 4.798 9.972 1.00 22.34 C ATOM 2096 O ARG A 139 12.101 6.027 10.081 1.00 73.25 O ATOM 2097 CB ARG A 139 13.476 3.292 11.465 1.00 73.24 C ATOM 2098 CG ARG A 139 14.606 4.297 11.580 1.00 12.51 C ATOM 2099 CD ARG A 139 15.922 3.583 11.733 1.00 71.10 C ATOM 2100 NE ARG A 139 17.060 4.489 11.755 1.00 53.33 N ATOM 2101 CZ ARG A 139 18.331 4.108 11.605 1.00 12.21 C ATOM 2102 NH1 ARG A 139 18.630 2.843 11.311 1.00 3.23 N ATOM 2103 NH2 ARG A 139 19.295 5.000 11.719 1.00 31.41 N ATOM 0 H ARG A 139 11.536 1.875 11.116 1.00 73.53 H new ATOM 0 HA ARG A 139 11.779 4.493 12.056 1.00 71.51 H new ATOM 0 HB2 ARG A 139 13.434 2.710 12.386 1.00 73.24 H new ATOM 0 HB3 ARG A 139 13.711 2.597 10.659 1.00 73.24 H new ATOM 0 HG2 ARG A 139 14.629 4.932 10.694 1.00 12.51 H new ATOM 0 HG3 ARG A 139 14.436 4.950 12.436 1.00 12.51 H new ATOM 0 HD2 ARG A 139 15.909 3.002 12.655 1.00 71.10 H new ATOM 0 HD3 ARG A 139 16.043 2.876 10.912 1.00 71.10 H new ATOM 0 HE ARG A 139 16.875 5.482 11.894 1.00 53.33 H new ATOM 0 HH11 ARG A 139 17.885 2.156 11.198 1.00 3.23 H new ATOM 0 HH12 ARG A 139 19.604 2.562 11.198 1.00 3.23 H new ATOM 0 HH21 ARG A 139 19.068 5.974 11.921 1.00 31.41 H new ATOM 0 HH22 ARG A 139 20.268 4.716 11.606 1.00 31.41 H new ATOM 2117 N ARG A 140 12.232 4.185 8.811 1.00 34.24 N ATOM 2118 CA ARG A 140 12.343 4.910 7.572 1.00 2.54 C ATOM 2119 C ARG A 140 11.043 5.647 7.266 1.00 14.04 C ATOM 2120 O ARG A 140 11.060 6.745 6.715 1.00 62.12 O ATOM 2121 CB ARG A 140 12.743 3.959 6.463 1.00 2.41 C ATOM 2122 CG ARG A 140 13.473 4.622 5.320 1.00 63.52 C ATOM 2123 CD ARG A 140 14.302 3.600 4.567 1.00 50.43 C ATOM 2124 NE ARG A 140 15.268 2.922 5.472 1.00 11.52 N ATOM 2125 CZ ARG A 140 16.427 2.361 5.109 1.00 11.14 C ATOM 2126 NH1 ARG A 140 16.858 2.454 3.862 1.00 22.33 N ATOM 2127 NH2 ARG A 140 17.179 1.730 6.021 1.00 33.04 N ATOM 0 H ARG A 140 12.221 3.171 8.703 1.00 34.24 H new ATOM 0 HA ARG A 140 13.121 5.668 7.657 1.00 2.54 H new ATOM 0 HB2 ARG A 140 13.377 3.176 6.880 1.00 2.41 H new ATOM 0 HB3 ARG A 140 11.848 3.472 6.076 1.00 2.41 H new ATOM 0 HG2 ARG A 140 12.757 5.090 4.644 1.00 63.52 H new ATOM 0 HG3 ARG A 140 14.117 5.415 5.701 1.00 63.52 H new ATOM 0 HD2 ARG A 140 13.645 2.859 4.111 1.00 50.43 H new ATOM 0 HD3 ARG A 140 14.841 4.090 3.756 1.00 50.43 H new ATOM 0 HE ARG A 140 15.024 2.881 6.462 1.00 11.52 H new ATOM 0 HH11 ARG A 140 16.305 2.957 3.168 1.00 22.33 H new ATOM 0 HH12 ARG A 140 17.743 2.023 3.595 1.00 22.33 H new ATOM 0 HH21 ARG A 140 16.868 1.678 6.991 1.00 33.04 H new ATOM 0 HH22 ARG A 140 18.063 1.302 5.745 1.00 33.04 H new ATOM 2141 N ALA A 141 9.920 5.051 7.661 1.00 3.22 N ATOM 2142 CA ALA A 141 8.616 5.676 7.516 1.00 31.34 C ATOM 2143 C ALA A 141 8.544 6.927 8.392 1.00 74.02 C ATOM 2144 O ALA A 141 8.082 7.978 7.945 1.00 11.33 O ATOM 2145 CB ALA A 141 7.517 4.695 7.890 1.00 24.04 C ATOM 0 H ALA A 141 9.893 4.125 8.088 1.00 3.22 H new ATOM 0 HA ALA A 141 8.472 5.967 6.476 1.00 31.34 H new ATOM 0 HB1 ALA A 141 6.546 5.176 7.777 1.00 24.04 H new ATOM 0 HB2 ALA A 141 7.569 3.824 7.237 1.00 24.04 H new ATOM 0 HB3 ALA A 141 7.647 4.380 8.925 1.00 24.04 H new ATOM 2151 N GLN A 142 9.037 6.809 9.632 1.00 64.21 N ATOM 2152 CA GLN A 142 9.122 7.944 10.567 1.00 24.52 C ATOM 2153 C GLN A 142 9.957 9.069 9.942 1.00 4.45 C ATOM 2154 O GLN A 142 9.589 10.246 9.993 1.00 24.04 O ATOM 2155 CB GLN A 142 9.804 7.525 11.883 1.00 74.41 C ATOM 2156 CG GLN A 142 9.139 6.390 12.657 1.00 15.41 C ATOM 2157 CD GLN A 142 7.777 6.724 13.238 1.00 42.23 C ATOM 2158 OE1 GLN A 142 6.926 5.852 13.358 1.00 21.15 O ATOM 2159 NE2 GLN A 142 7.582 7.946 13.669 1.00 40.15 N ATOM 0 H GLN A 142 9.387 5.931 10.016 1.00 64.21 H new ATOM 0 HA GLN A 142 8.106 8.282 10.772 1.00 24.52 H new ATOM 0 HB2 GLN A 142 10.829 7.231 11.659 1.00 74.41 H new ATOM 0 HB3 GLN A 142 9.857 8.398 12.534 1.00 74.41 H new ATOM 0 HG2 GLN A 142 9.034 5.531 11.995 1.00 15.41 H new ATOM 0 HG3 GLN A 142 9.800 6.088 13.469 1.00 15.41 H new ATOM 0 HE21 GLN A 142 8.311 8.650 13.554 1.00 40.15 H new ATOM 0 HE22 GLN A 142 6.701 8.193 14.120 1.00 40.15 H new ATOM 2168 N ALA A 143 11.077 8.685 9.346 1.00 24.34 N ATOM 2169 CA ALA A 143 12.008 9.621 8.721 1.00 12.55 C ATOM 2170 C ALA A 143 11.398 10.294 7.495 1.00 13.40 C ATOM 2171 O ALA A 143 11.672 11.467 7.211 1.00 61.13 O ATOM 2172 CB ALA A 143 13.301 8.912 8.350 1.00 2.54 C ATOM 0 H ALA A 143 11.369 7.710 9.281 1.00 24.34 H new ATOM 0 HA ALA A 143 12.227 10.403 9.448 1.00 12.55 H new ATOM 0 HB1 ALA A 143 13.985 9.622 7.885 1.00 2.54 H new ATOM 0 HB2 ALA A 143 13.761 8.500 9.248 1.00 2.54 H new ATOM 0 HB3 ALA A 143 13.085 8.105 7.650 1.00 2.54 H new ATOM 2178 N MET A 144 10.592 9.558 6.769 1.00 54.03 N ATOM 2179 CA MET A 144 9.923 10.077 5.583 1.00 32.44 C ATOM 2180 C MET A 144 8.821 11.049 5.995 1.00 21.22 C ATOM 2181 O MET A 144 8.622 12.101 5.369 1.00 41.44 O ATOM 2182 CB MET A 144 9.367 8.900 4.734 1.00 11.34 C ATOM 2183 CG MET A 144 8.688 9.272 3.403 1.00 54.11 C ATOM 2184 SD MET A 144 7.023 9.970 3.571 1.00 75.50 S ATOM 2185 CE MET A 144 6.627 10.273 1.849 1.00 3.51 C ATOM 0 H MET A 144 10.376 8.583 6.976 1.00 54.03 H new ATOM 0 HA MET A 144 10.636 10.624 4.966 1.00 32.44 H new ATOM 0 HB2 MET A 144 10.189 8.217 4.518 1.00 11.34 H new ATOM 0 HB3 MET A 144 8.648 8.351 5.342 1.00 11.34 H new ATOM 0 HG2 MET A 144 9.317 9.991 2.878 1.00 54.11 H new ATOM 0 HG3 MET A 144 8.632 8.381 2.778 1.00 54.11 H new ATOM 0 HE1 MET A 144 5.564 10.097 1.684 1.00 3.51 H new ATOM 0 HE2 MET A 144 6.868 11.306 1.597 1.00 3.51 H new ATOM 0 HE3 MET A 144 7.208 9.600 1.218 1.00 3.51 H new ATOM 2195 N ALA A 145 8.137 10.720 7.064 1.00 60.00 N ATOM 2196 CA ALA A 145 7.059 11.537 7.535 1.00 50.34 C ATOM 2197 C ALA A 145 7.543 12.801 8.221 1.00 11.02 C ATOM 2198 O ALA A 145 7.118 13.896 7.866 1.00 55.33 O ATOM 2199 CB ALA A 145 6.135 10.760 8.438 1.00 32.24 C ATOM 0 H ALA A 145 8.314 9.886 7.623 1.00 60.00 H new ATOM 0 HA ALA A 145 6.499 11.846 6.653 1.00 50.34 H new ATOM 0 HB1 ALA A 145 5.328 11.409 8.778 1.00 32.24 H new ATOM 0 HB2 ALA A 145 5.716 9.916 7.890 1.00 32.24 H new ATOM 0 HB3 ALA A 145 6.692 10.392 9.300 1.00 32.24 H new ATOM 2205 N TYR A 146 8.431 12.664 9.170 1.00 62.24 N ATOM 2206 CA TYR A 146 8.888 13.802 9.934 1.00 33.42 C ATOM 2207 C TYR A 146 10.271 14.212 9.462 1.00 64.12 C ATOM 2208 O TYR A 146 10.379 15.036 8.521 1.00 38.02 O ATOM 2209 CB TYR A 146 8.922 13.469 11.435 1.00 4.51 C ATOM 2210 CG TYR A 146 7.611 12.957 12.004 1.00 42.41 C ATOM 2211 CD1 TYR A 146 6.624 13.830 12.441 1.00 1.52 C ATOM 2212 CD2 TYR A 146 7.369 11.596 12.107 1.00 24.12 C ATOM 2213 CE1 TYR A 146 5.434 13.358 12.966 1.00 44.51 C ATOM 2214 CE2 TYR A 146 6.191 11.118 12.628 1.00 53.21 C ATOM 2215 CZ TYR A 146 5.224 11.999 13.056 1.00 43.24 C ATOM 2216 OH TYR A 146 4.040 11.513 13.591 1.00 44.02 O ATOM 2217 OXT TYR A 146 11.265 13.704 10.005 1.00 38.02 O ATOM 0 H TYR A 146 8.855 11.775 9.435 1.00 62.24 H new ATOM 0 HA TYR A 146 8.194 14.628 9.781 1.00 33.42 H new ATOM 0 HB2 TYR A 146 9.694 12.720 11.609 1.00 4.51 H new ATOM 0 HB3 TYR A 146 9.216 14.363 11.985 1.00 4.51 H new ATOM 0 HD1 TYR A 146 6.788 14.895 12.370 1.00 1.52 H new ATOM 0 HD2 TYR A 146 8.121 10.898 11.771 1.00 24.12 H new ATOM 0 HE1 TYR A 146 4.676 14.049 13.303 1.00 44.51 H new ATOM 0 HE2 TYR A 146 6.024 10.054 12.702 1.00 53.21 H new ATOM 0 HH TYR A 146 3.319 12.157 13.429 1.00 44.02 H new