USER MOD reduce.3.24.130724 H: found=0, std=0, add=942, rem=0, adj=23 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 79 LYS NZ :NH3+ 167:sc= 0.0196 (180deg=-0.44) USER MOD Set 1.2: A 80 SER OG : rot 180:sc= 0.12 USER MOD Set 2.1: A 73 ASN : amide:sc= -0.165 K(o=-0.16,f=-3.2!) USER MOD Set 2.2: A 74 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 30 TYR OH : rot 180:sc= 0 USER MOD Set 3.2: A 68 GLN :FLIP amide:sc=-0.00438 F(o=-0.99,f=-0.0044) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 180:sc= -0.148 USER MOD Single : A 45 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00751) USER MOD Single : A 48 GLN : amide:sc= -1.47 K(o=-1.5,f=-2.9!) USER MOD Single : A 49 GLN :FLIP amide:sc= 0 F(o=-2!,f=0) USER MOD Single : A 54 HIS : no HD1:sc=-0.00444 X(o=-0.0044,f=-0.0015) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0.105 USER MOD Single : A 76 GLN : amide:sc=-0.00635 K(o=-0.0063,f=-1.2) USER MOD Single : A 86 THR OG1 : rot 74:sc= 1.22 USER MOD Single : A 89 HIS : no HE2:sc=-0.00937 X(o=-0.0094,f=-0.032) USER MOD Single : A 93 TYR OH : rot -102:sc= 0.975 USER MOD Single : A 96 THR OG1 : rot 14:sc= 0.66 USER MOD Single : A 99 MET CE :methyl -124:sc= -0.808 (180deg=-1.36) USER MOD Single : A 104 THR OG1 : rot 103:sc= 1.27 USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 110 THR OG1 : rot 180:sc= 0 USER MOD Single : A 121 SER OG : rot 180:sc= 0 USER MOD Single : A 122 ASN : amide:sc= -1.91! C(o=-1.9!,f=-3.2!) USER MOD Single : A 130 HIS : no HD1:sc= -0.0183 X(o=-0.018,f=-0.38) USER MOD Single : A 132 HIS : no HE2:sc= -1.69 K(o=-1.7,f=-4!) USER MOD Single : A 133 GLN :FLIP amide:sc= 0 F(o=-1.6!,f=0) USER MOD Single : A 142 GLN : amide:sc= -0.817 K(o=-0.82,f=-3!) USER MOD Single : A 144 MET CE :methyl -131:sc= 0 (180deg=-0.0464) USER MOD Single : A 146 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 239 N ALA A 18 -7.999 5.339 -4.394 1.00 11.12 N ATOM 240 CA ALA A 18 -6.794 4.752 -4.934 1.00 23.21 C ATOM 241 C ALA A 18 -6.408 5.506 -6.180 1.00 35.31 C ATOM 242 O ALA A 18 -7.219 5.638 -7.121 1.00 12.22 O ATOM 243 CB ALA A 18 -7.054 3.288 -5.263 1.00 12.32 C ATOM 0 HA ALA A 18 -5.983 4.811 -4.208 1.00 23.21 H new ATOM 0 HB1 ALA A 18 -6.148 2.840 -5.671 1.00 12.32 H new ATOM 0 HB2 ALA A 18 -7.345 2.757 -4.356 1.00 12.32 H new ATOM 0 HB3 ALA A 18 -7.856 3.217 -5.998 1.00 12.32 H new ATOM 249 N GLY A 19 -5.197 6.009 -6.185 1.00 34.22 N ATOM 250 CA GLY A 19 -4.743 6.834 -7.264 1.00 5.33 C ATOM 251 C GLY A 19 -3.741 6.167 -8.158 1.00 21.41 C ATOM 252 O GLY A 19 -4.106 5.338 -9.003 1.00 25.11 O ATOM 0 H GLY A 19 -4.509 5.857 -5.447 1.00 34.22 H new ATOM 0 HA2 GLY A 19 -5.602 7.139 -7.861 1.00 5.33 H new ATOM 0 HA3 GLY A 19 -4.301 7.742 -6.853 1.00 5.33 H new ATOM 256 N ASP A 20 -2.488 6.492 -7.976 1.00 41.35 N ATOM 257 CA ASP A 20 -1.451 6.007 -8.871 1.00 31.14 C ATOM 258 C ASP A 20 -0.736 4.820 -8.294 1.00 33.34 C ATOM 259 O ASP A 20 -0.170 4.887 -7.200 1.00 4.43 O ATOM 260 CB ASP A 20 -0.451 7.122 -9.218 1.00 61.51 C ATOM 261 CG ASP A 20 0.657 6.676 -10.165 1.00 73.32 C ATOM 262 OD1 ASP A 20 0.381 6.428 -11.358 1.00 32.53 O ATOM 263 OD2 ASP A 20 1.839 6.637 -9.759 1.00 10.41 O ATOM 0 H ASP A 20 -2.153 7.089 -7.220 1.00 41.35 H new ATOM 0 HA ASP A 20 -1.942 5.689 -9.791 1.00 31.14 H new ATOM 0 HB2 ASP A 20 -0.990 7.954 -9.670 1.00 61.51 H new ATOM 0 HB3 ASP A 20 -0.002 7.495 -8.297 1.00 61.51 H new ATOM 268 N ASP A 21 -0.793 3.734 -9.015 1.00 12.15 N ATOM 269 CA ASP A 21 -0.098 2.515 -8.642 1.00 25.14 C ATOM 270 C ASP A 21 1.396 2.694 -8.813 1.00 63.35 C ATOM 271 O ASP A 21 1.843 3.379 -9.734 1.00 2.11 O ATOM 272 CB ASP A 21 -0.593 1.324 -9.464 1.00 1.32 C ATOM 273 CG ASP A 21 0.311 0.127 -9.322 1.00 35.12 C ATOM 274 OD1 ASP A 21 0.634 -0.250 -8.174 1.00 54.31 O ATOM 275 OD2 ASP A 21 0.787 -0.371 -10.355 1.00 1.03 O ATOM 0 H ASP A 21 -1.323 3.661 -9.883 1.00 12.15 H new ATOM 0 HA ASP A 21 -0.311 2.308 -7.593 1.00 25.14 H new ATOM 0 HB2 ASP A 21 -1.601 1.057 -9.146 1.00 1.32 H new ATOM 0 HB3 ASP A 21 -0.655 1.609 -10.514 1.00 1.32 H new ATOM 280 N VAL A 22 2.158 2.066 -7.964 1.00 61.41 N ATOM 281 CA VAL A 22 3.578 2.234 -7.958 1.00 41.42 C ATOM 282 C VAL A 22 4.300 0.905 -8.300 1.00 23.54 C ATOM 283 O VAL A 22 5.493 0.908 -8.604 1.00 23.13 O ATOM 284 CB VAL A 22 4.059 2.808 -6.575 1.00 10.53 C ATOM 285 CG1 VAL A 22 5.545 3.097 -6.569 1.00 51.31 C ATOM 286 CG2 VAL A 22 3.286 4.076 -6.217 1.00 33.33 C ATOM 0 H VAL A 22 1.808 1.421 -7.255 1.00 61.41 H new ATOM 0 HA VAL A 22 3.840 2.955 -8.732 1.00 41.42 H new ATOM 0 HB VAL A 22 3.861 2.041 -5.826 1.00 10.53 H new ATOM 0 HG11 VAL A 22 5.835 3.492 -5.595 1.00 51.31 H new ATOM 0 HG12 VAL A 22 6.095 2.177 -6.766 1.00 51.31 H new ATOM 0 HG13 VAL A 22 5.776 3.831 -7.341 1.00 51.31 H new ATOM 0 HG21 VAL A 22 3.635 4.456 -5.257 1.00 33.33 H new ATOM 0 HG22 VAL A 22 3.449 4.831 -6.987 1.00 33.33 H new ATOM 0 HG23 VAL A 22 2.222 3.847 -6.152 1.00 33.33 H new ATOM 296 N LEU A 23 3.588 -0.215 -8.304 1.00 4.04 N ATOM 297 CA LEU A 23 4.256 -1.491 -8.568 1.00 23.24 C ATOM 298 C LEU A 23 4.327 -1.882 -10.046 1.00 11.43 C ATOM 299 O LEU A 23 3.720 -1.245 -10.924 1.00 42.32 O ATOM 300 CB LEU A 23 3.793 -2.671 -7.647 1.00 63.05 C ATOM 301 CG LEU A 23 2.288 -2.975 -7.463 1.00 71.42 C ATOM 302 CD1 LEU A 23 1.595 -3.291 -8.782 1.00 54.21 C ATOM 303 CD2 LEU A 23 2.121 -4.155 -6.522 1.00 3.34 C ATOM 0 H LEU A 23 2.584 -0.272 -8.134 1.00 4.04 H new ATOM 0 HA LEU A 23 5.288 -1.290 -8.279 1.00 23.24 H new ATOM 0 HB2 LEU A 23 4.261 -3.579 -8.027 1.00 63.05 H new ATOM 0 HB3 LEU A 23 4.209 -2.489 -6.656 1.00 63.05 H new ATOM 0 HG LEU A 23 1.824 -2.080 -7.048 1.00 71.42 H new ATOM 0 HD11 LEU A 23 0.540 -3.497 -8.599 1.00 54.21 H new ATOM 0 HD12 LEU A 23 1.686 -2.438 -9.455 1.00 54.21 H new ATOM 0 HD13 LEU A 23 2.061 -4.164 -9.238 1.00 54.21 H new ATOM 0 HD21 LEU A 23 1.060 -4.369 -6.392 1.00 3.34 H new ATOM 0 HD22 LEU A 23 2.619 -5.029 -6.942 1.00 3.34 H new ATOM 0 HD23 LEU A 23 2.564 -3.915 -5.555 1.00 3.34 H new ATOM 315 N ASP A 24 5.101 -2.902 -10.313 1.00 1.12 N ATOM 316 CA ASP A 24 5.300 -3.415 -11.647 1.00 15.31 C ATOM 317 C ASP A 24 4.445 -4.651 -11.786 1.00 61.43 C ATOM 318 O ASP A 24 4.215 -5.322 -10.791 1.00 54.43 O ATOM 319 CB ASP A 24 6.791 -3.780 -11.829 1.00 3.22 C ATOM 320 CG ASP A 24 7.155 -4.254 -13.215 1.00 41.54 C ATOM 321 OD1 ASP A 24 7.045 -5.465 -13.502 1.00 53.22 O ATOM 322 OD2 ASP A 24 7.572 -3.419 -14.050 1.00 3.05 O ATOM 0 H ASP A 24 5.621 -3.410 -9.597 1.00 1.12 H new ATOM 0 HA ASP A 24 5.026 -2.677 -12.401 1.00 15.31 H new ATOM 0 HB2 ASP A 24 7.398 -2.908 -11.586 1.00 3.22 H new ATOM 0 HB3 ASP A 24 7.051 -4.559 -11.112 1.00 3.22 H new ATOM 327 N PRO A 25 3.918 -4.961 -12.998 1.00 54.21 N ATOM 328 CA PRO A 25 3.131 -6.185 -13.240 1.00 21.44 C ATOM 329 C PRO A 25 3.821 -7.475 -12.744 1.00 43.30 C ATOM 330 O PRO A 25 3.151 -8.484 -12.499 1.00 21.12 O ATOM 331 CB PRO A 25 2.995 -6.219 -14.760 1.00 24.44 C ATOM 332 CG PRO A 25 3.035 -4.790 -15.163 1.00 61.14 C ATOM 333 CD PRO A 25 3.980 -4.114 -14.210 1.00 53.32 C ATOM 0 HA PRO A 25 2.186 -6.156 -12.698 1.00 21.44 H new ATOM 0 HB2 PRO A 25 3.805 -6.785 -15.220 1.00 24.44 H new ATOM 0 HB3 PRO A 25 2.062 -6.693 -15.066 1.00 24.44 H new ATOM 0 HG2 PRO A 25 3.378 -4.685 -16.192 1.00 61.14 H new ATOM 0 HG3 PRO A 25 2.042 -4.342 -15.111 1.00 61.14 H new ATOM 0 HD2 PRO A 25 4.991 -4.066 -14.614 1.00 53.32 H new ATOM 0 HD3 PRO A 25 3.672 -3.090 -13.999 1.00 53.32 H new ATOM 341 N ASP A 26 5.153 -7.443 -12.603 1.00 1.24 N ATOM 342 CA ASP A 26 5.907 -8.595 -12.087 1.00 33.03 C ATOM 343 C ASP A 26 5.510 -8.868 -10.640 1.00 44.02 C ATOM 344 O ASP A 26 5.481 -10.019 -10.198 1.00 60.25 O ATOM 345 CB ASP A 26 7.412 -8.359 -12.185 1.00 5.23 C ATOM 346 CG ASP A 26 8.250 -9.606 -11.940 1.00 35.13 C ATOM 347 OD1 ASP A 26 8.568 -9.924 -10.792 1.00 70.01 O ATOM 348 OD2 ASP A 26 8.637 -10.281 -12.934 1.00 73.03 O ATOM 0 H ASP A 26 5.730 -6.635 -12.838 1.00 1.24 H new ATOM 0 HA ASP A 26 5.663 -9.464 -12.698 1.00 33.03 H new ATOM 0 HB2 ASP A 26 7.644 -7.966 -13.175 1.00 5.23 H new ATOM 0 HB3 ASP A 26 7.697 -7.594 -11.463 1.00 5.23 H new ATOM 353 N GLU A 27 5.173 -7.811 -9.917 1.00 63.30 N ATOM 354 CA GLU A 27 4.669 -7.941 -8.570 1.00 25.32 C ATOM 355 C GLU A 27 3.236 -8.494 -8.634 1.00 60.14 C ATOM 356 O GLU A 27 2.392 -7.943 -9.349 1.00 13.01 O ATOM 357 CB GLU A 27 4.649 -6.592 -7.813 1.00 0.42 C ATOM 358 CG GLU A 27 5.990 -6.067 -7.278 1.00 74.10 C ATOM 359 CD GLU A 27 6.994 -5.628 -8.322 1.00 53.23 C ATOM 360 OE1 GLU A 27 6.957 -4.453 -8.749 1.00 52.43 O ATOM 361 OE2 GLU A 27 7.915 -6.401 -8.632 1.00 33.22 O ATOM 0 H GLU A 27 5.242 -6.849 -10.249 1.00 63.30 H new ATOM 0 HA GLU A 27 5.334 -8.613 -8.028 1.00 25.32 H new ATOM 0 HB2 GLU A 27 4.232 -5.837 -8.479 1.00 0.42 H new ATOM 0 HB3 GLU A 27 3.963 -6.687 -6.971 1.00 0.42 H new ATOM 0 HG2 GLU A 27 5.790 -5.223 -6.617 1.00 74.10 H new ATOM 0 HG3 GLU A 27 6.446 -6.847 -6.669 1.00 74.10 H new ATOM 368 N PRO A 28 2.937 -9.596 -7.922 1.00 21.12 N ATOM 369 CA PRO A 28 1.595 -10.172 -7.907 1.00 70.14 C ATOM 370 C PRO A 28 0.621 -9.282 -7.118 1.00 30.51 C ATOM 371 O PRO A 28 1.038 -8.511 -6.218 1.00 12.13 O ATOM 372 CB PRO A 28 1.773 -11.531 -7.205 1.00 51.41 C ATOM 373 CG PRO A 28 3.248 -11.722 -7.038 1.00 24.33 C ATOM 374 CD PRO A 28 3.867 -10.359 -7.081 1.00 41.40 C ATOM 0 HA PRO A 28 1.176 -10.267 -8.909 1.00 70.14 H new ATOM 0 HB2 PRO A 28 1.267 -11.540 -6.240 1.00 51.41 H new ATOM 0 HB3 PRO A 28 1.341 -12.336 -7.799 1.00 51.41 H new ATOM 0 HG2 PRO A 28 3.469 -12.218 -6.093 1.00 24.33 H new ATOM 0 HG3 PRO A 28 3.648 -12.354 -7.831 1.00 24.33 H new ATOM 0 HD2 PRO A 28 3.957 -9.926 -6.085 1.00 41.40 H new ATOM 0 HD3 PRO A 28 4.869 -10.385 -7.509 1.00 41.40 H new ATOM 382 N THR A 29 -0.647 -9.370 -7.422 1.00 12.22 N ATOM 383 CA THR A 29 -1.617 -8.538 -6.765 1.00 74.31 C ATOM 384 C THR A 29 -2.869 -9.305 -6.355 1.00 23.45 C ATOM 385 O THR A 29 -3.074 -10.455 -6.722 1.00 52.23 O ATOM 386 CB THR A 29 -2.012 -7.321 -7.643 1.00 4.43 C ATOM 387 OG1 THR A 29 -2.216 -7.750 -8.986 1.00 32.41 O ATOM 388 CG2 THR A 29 -0.959 -6.222 -7.607 1.00 51.23 C ATOM 0 H THR A 29 -1.031 -10.008 -8.119 1.00 12.22 H new ATOM 0 HA THR A 29 -1.134 -8.179 -5.856 1.00 74.31 H new ATOM 0 HB THR A 29 -2.934 -6.904 -7.237 1.00 4.43 H new ATOM 0 HG1 THR A 29 -2.467 -6.982 -9.540 1.00 32.41 H new ATOM 0 HG21 THR A 29 -1.279 -5.391 -8.236 1.00 51.23 H new ATOM 0 HG22 THR A 29 -0.832 -5.873 -6.582 1.00 51.23 H new ATOM 0 HG23 THR A 29 -0.012 -6.614 -7.977 1.00 51.23 H new ATOM 396 N TYR A 30 -3.655 -8.643 -5.585 1.00 73.30 N ATOM 397 CA TYR A 30 -4.921 -9.055 -5.097 1.00 2.33 C ATOM 398 C TYR A 30 -5.896 -8.061 -5.594 1.00 3.11 C ATOM 399 O TYR A 30 -5.518 -6.951 -5.926 1.00 14.13 O ATOM 400 CB TYR A 30 -4.954 -9.072 -3.577 1.00 63.32 C ATOM 401 CG TYR A 30 -4.356 -10.294 -2.972 1.00 22.05 C ATOM 402 CD1 TYR A 30 -5.021 -11.500 -3.059 1.00 65.23 C ATOM 403 CD2 TYR A 30 -3.148 -10.254 -2.309 1.00 5.05 C ATOM 404 CE1 TYR A 30 -4.504 -12.636 -2.508 1.00 60.21 C ATOM 405 CE2 TYR A 30 -2.617 -11.391 -1.745 1.00 5.03 C ATOM 406 CZ TYR A 30 -3.298 -12.583 -1.849 1.00 1.11 C ATOM 407 OH TYR A 30 -2.780 -13.722 -1.277 1.00 22.03 O ATOM 0 H TYR A 30 -3.404 -7.713 -5.250 1.00 73.30 H new ATOM 0 HA TYR A 30 -5.146 -10.066 -5.436 1.00 2.33 H new ATOM 0 HB2 TYR A 30 -4.423 -8.197 -3.202 1.00 63.32 H new ATOM 0 HB3 TYR A 30 -5.989 -8.984 -3.245 1.00 63.32 H new ATOM 0 HD1 TYR A 30 -5.970 -11.546 -3.573 1.00 65.23 H new ATOM 0 HD2 TYR A 30 -2.612 -9.319 -2.231 1.00 5.05 H new ATOM 0 HE1 TYR A 30 -5.038 -13.571 -2.589 1.00 60.21 H new ATOM 0 HE2 TYR A 30 -1.672 -11.349 -1.224 1.00 5.03 H new ATOM 0 HH TYR A 30 -1.922 -13.513 -0.852 1.00 22.03 H new ATOM 417 N ASP A 31 -7.108 -8.405 -5.605 1.00 40.33 N ATOM 418 CA ASP A 31 -8.136 -7.567 -6.144 1.00 62.22 C ATOM 419 C ASP A 31 -9.204 -7.640 -5.109 1.00 24.32 C ATOM 420 O ASP A 31 -9.195 -8.600 -4.342 1.00 35.44 O ATOM 421 CB ASP A 31 -8.631 -8.196 -7.447 1.00 70.54 C ATOM 422 CG ASP A 31 -9.338 -7.238 -8.360 1.00 54.54 C ATOM 423 OD1 ASP A 31 -10.439 -6.782 -8.038 1.00 72.44 O ATOM 424 OD2 ASP A 31 -8.786 -6.926 -9.436 1.00 71.21 O ATOM 0 H ASP A 31 -7.446 -9.294 -5.236 1.00 40.33 H new ATOM 0 HA ASP A 31 -7.821 -6.546 -6.358 1.00 62.22 H new ATOM 0 HB2 ASP A 31 -7.781 -8.625 -7.977 1.00 70.54 H new ATOM 0 HB3 ASP A 31 -9.306 -9.018 -7.208 1.00 70.54 H new ATOM 429 N LEU A 32 -10.086 -6.670 -5.032 1.00 15.22 N ATOM 430 CA LEU A 32 -11.066 -6.626 -3.931 1.00 44.51 C ATOM 431 C LEU A 32 -11.899 -7.922 -3.791 1.00 72.31 C ATOM 432 O LEU A 32 -11.937 -8.496 -2.698 1.00 54.22 O ATOM 433 CB LEU A 32 -11.931 -5.351 -3.941 1.00 23.23 C ATOM 434 CG LEU A 32 -11.176 -4.015 -3.782 1.00 24.54 C ATOM 435 CD1 LEU A 32 -12.149 -2.851 -3.714 1.00 44.10 C ATOM 436 CD2 LEU A 32 -10.287 -4.026 -2.545 1.00 32.13 C ATOM 0 H LEU A 32 -10.159 -5.903 -5.701 1.00 15.22 H new ATOM 0 HA LEU A 32 -10.468 -6.571 -3.021 1.00 44.51 H new ATOM 0 HB2 LEU A 32 -12.487 -5.321 -4.878 1.00 23.23 H new ATOM 0 HB3 LEU A 32 -12.664 -5.428 -3.138 1.00 23.23 H new ATOM 0 HG LEU A 32 -10.540 -3.891 -4.659 1.00 24.54 H new ATOM 0 HD11 LEU A 32 -11.594 -1.919 -3.602 1.00 44.10 H new ATOM 0 HD12 LEU A 32 -12.738 -2.815 -4.631 1.00 44.10 H new ATOM 0 HD13 LEU A 32 -12.814 -2.982 -2.861 1.00 44.10 H new ATOM 0 HD21 LEU A 32 -9.769 -3.071 -2.461 1.00 32.13 H new ATOM 0 HD22 LEU A 32 -10.900 -4.186 -1.658 1.00 32.13 H new ATOM 0 HD23 LEU A 32 -9.555 -4.830 -2.630 1.00 32.13 H new ATOM 448 N PRO A 33 -12.545 -8.438 -4.880 1.00 61.52 N ATOM 449 CA PRO A 33 -13.241 -9.727 -4.826 1.00 60.42 C ATOM 450 C PRO A 33 -12.290 -10.891 -4.468 1.00 62.44 C ATOM 451 O PRO A 33 -12.706 -11.866 -3.835 1.00 53.31 O ATOM 452 CB PRO A 33 -13.803 -9.916 -6.243 1.00 3.21 C ATOM 453 CG PRO A 33 -13.068 -8.937 -7.092 1.00 22.22 C ATOM 454 CD PRO A 33 -12.733 -7.791 -6.196 1.00 15.45 C ATOM 0 HA PRO A 33 -14.010 -9.730 -4.054 1.00 60.42 H new ATOM 0 HB2 PRO A 33 -13.648 -10.936 -6.595 1.00 3.21 H new ATOM 0 HB3 PRO A 33 -14.877 -9.730 -6.268 1.00 3.21 H new ATOM 0 HG2 PRO A 33 -12.166 -9.383 -7.510 1.00 22.22 H new ATOM 0 HG3 PRO A 33 -13.681 -8.610 -7.932 1.00 22.22 H new ATOM 0 HD2 PRO A 33 -11.831 -7.274 -6.523 1.00 15.45 H new ATOM 0 HD3 PRO A 33 -13.533 -7.052 -6.171 1.00 15.45 H new ATOM 462 N ARG A 34 -11.019 -10.788 -4.877 1.00 12.44 N ATOM 463 CA ARG A 34 -10.036 -11.803 -4.574 1.00 2.11 C ATOM 464 C ARG A 34 -9.684 -11.777 -3.079 1.00 3.01 C ATOM 465 O ARG A 34 -9.478 -12.810 -2.467 1.00 44.52 O ATOM 466 CB ARG A 34 -8.781 -11.616 -5.421 1.00 51.45 C ATOM 467 CG ARG A 34 -7.920 -12.855 -5.518 1.00 32.41 C ATOM 468 CD ARG A 34 -8.712 -13.973 -6.164 1.00 62.30 C ATOM 469 NE ARG A 34 -7.928 -15.182 -6.356 1.00 24.41 N ATOM 470 CZ ARG A 34 -8.444 -16.417 -6.408 1.00 61.52 C ATOM 471 NH1 ARG A 34 -9.767 -16.590 -6.419 1.00 11.34 N ATOM 472 NH2 ARG A 34 -7.636 -17.470 -6.480 1.00 75.54 N ATOM 0 H ARG A 34 -10.659 -10.003 -5.420 1.00 12.44 H new ATOM 0 HA ARG A 34 -10.465 -12.776 -4.815 1.00 2.11 H new ATOM 0 HB2 ARG A 34 -9.074 -11.309 -6.425 1.00 51.45 H new ATOM 0 HB3 ARG A 34 -8.187 -10.804 -5.000 1.00 51.45 H new ATOM 0 HG2 ARG A 34 -7.025 -12.644 -6.104 1.00 32.41 H new ATOM 0 HG3 ARG A 34 -7.587 -13.158 -4.525 1.00 32.41 H new ATOM 0 HD2 ARG A 34 -9.579 -14.202 -5.545 1.00 62.30 H new ATOM 0 HD3 ARG A 34 -9.090 -13.634 -7.128 1.00 62.30 H new ATOM 0 HE ARG A 34 -6.918 -15.083 -6.458 1.00 24.41 H new ATOM 0 HH11 ARG A 34 -10.387 -15.781 -6.388 1.00 11.34 H new ATOM 0 HH12 ARG A 34 -10.158 -17.531 -6.459 1.00 11.34 H new ATOM 0 HH21 ARG A 34 -6.625 -17.337 -6.496 1.00 75.54 H new ATOM 0 HH22 ARG A 34 -8.027 -18.411 -6.520 1.00 75.54 H new ATOM 486 N VAL A 35 -9.620 -10.589 -2.506 1.00 35.21 N ATOM 487 CA VAL A 35 -9.361 -10.446 -1.078 1.00 61.20 C ATOM 488 C VAL A 35 -10.566 -10.956 -0.313 1.00 51.45 C ATOM 489 O VAL A 35 -10.440 -11.613 0.724 1.00 13.53 O ATOM 490 CB VAL A 35 -9.036 -8.976 -0.669 1.00 1.34 C ATOM 491 CG1 VAL A 35 -8.790 -8.854 0.831 1.00 21.42 C ATOM 492 CG2 VAL A 35 -7.829 -8.466 -1.428 1.00 4.23 C ATOM 0 H VAL A 35 -9.743 -9.707 -3.004 1.00 35.21 H new ATOM 0 HA VAL A 35 -8.476 -11.034 -0.832 1.00 61.20 H new ATOM 0 HB VAL A 35 -9.904 -8.368 -0.924 1.00 1.34 H new ATOM 0 HG11 VAL A 35 -8.567 -7.817 1.080 1.00 21.42 H new ATOM 0 HG12 VAL A 35 -9.680 -9.174 1.373 1.00 21.42 H new ATOM 0 HG13 VAL A 35 -7.947 -9.485 1.114 1.00 21.42 H new ATOM 0 HG21 VAL A 35 -7.618 -7.439 -1.129 1.00 4.23 H new ATOM 0 HG22 VAL A 35 -6.966 -9.094 -1.204 1.00 4.23 H new ATOM 0 HG23 VAL A 35 -8.032 -8.498 -2.498 1.00 4.23 H new ATOM 502 N ALA A 36 -11.730 -10.676 -0.860 1.00 71.34 N ATOM 503 CA ALA A 36 -12.975 -11.165 -0.329 1.00 64.22 C ATOM 504 C ALA A 36 -12.977 -12.701 -0.322 1.00 62.54 C ATOM 505 O ALA A 36 -13.483 -13.325 0.600 1.00 10.45 O ATOM 506 CB ALA A 36 -14.131 -10.623 -1.154 1.00 43.43 C ATOM 0 H ALA A 36 -11.835 -10.097 -1.693 1.00 71.34 H new ATOM 0 HA ALA A 36 -13.092 -10.821 0.699 1.00 64.22 H new ATOM 0 HB1 ALA A 36 -15.072 -10.995 -0.750 1.00 43.43 H new ATOM 0 HB2 ALA A 36 -14.125 -9.534 -1.117 1.00 43.43 H new ATOM 0 HB3 ALA A 36 -14.025 -10.951 -2.188 1.00 43.43 H new ATOM 512 N GLU A 37 -12.383 -13.287 -1.353 1.00 35.45 N ATOM 513 CA GLU A 37 -12.251 -14.737 -1.495 1.00 35.12 C ATOM 514 C GLU A 37 -11.275 -15.272 -0.428 1.00 34.24 C ATOM 515 O GLU A 37 -11.576 -16.229 0.308 1.00 43.50 O ATOM 516 CB GLU A 37 -11.629 -15.008 -2.863 1.00 3.33 C ATOM 517 CG GLU A 37 -11.665 -16.449 -3.331 1.00 12.54 C ATOM 518 CD GLU A 37 -13.044 -16.889 -3.717 1.00 0.24 C ATOM 519 OE1 GLU A 37 -13.509 -16.487 -4.798 1.00 70.30 O ATOM 520 OE2 GLU A 37 -13.676 -17.660 -2.980 1.00 54.33 O ATOM 0 H GLU A 37 -11.973 -12.764 -2.127 1.00 35.45 H new ATOM 0 HA GLU A 37 -13.224 -15.215 -1.386 1.00 35.12 H new ATOM 0 HB2 GLU A 37 -12.142 -14.393 -3.602 1.00 3.33 H new ATOM 0 HB3 GLU A 37 -10.590 -14.679 -2.840 1.00 3.33 H new ATOM 0 HG2 GLU A 37 -10.996 -16.568 -4.184 1.00 12.54 H new ATOM 0 HG3 GLU A 37 -11.289 -17.095 -2.538 1.00 12.54 H new ATOM 527 N LEU A 38 -10.147 -14.580 -0.311 1.00 51.32 N ATOM 528 CA LEU A 38 -9.050 -14.949 0.577 1.00 32.42 C ATOM 529 C LEU A 38 -9.464 -14.877 2.039 1.00 5.52 C ATOM 530 O LEU A 38 -9.197 -15.790 2.823 1.00 72.52 O ATOM 531 CB LEU A 38 -7.853 -14.017 0.329 1.00 34.14 C ATOM 532 CG LEU A 38 -6.599 -14.261 1.179 1.00 4.43 C ATOM 533 CD1 LEU A 38 -5.953 -15.599 0.841 1.00 25.03 C ATOM 534 CD2 LEU A 38 -5.608 -13.118 1.016 1.00 1.32 C ATOM 0 H LEU A 38 -9.966 -13.728 -0.842 1.00 51.32 H new ATOM 0 HA LEU A 38 -8.771 -15.980 0.360 1.00 32.42 H new ATOM 0 HB2 LEU A 38 -7.572 -14.096 -0.721 1.00 34.14 H new ATOM 0 HB3 LEU A 38 -8.181 -12.991 0.494 1.00 34.14 H new ATOM 0 HG LEU A 38 -6.905 -14.299 2.225 1.00 4.43 H new ATOM 0 HD11 LEU A 38 -5.067 -15.742 1.460 1.00 25.03 H new ATOM 0 HD12 LEU A 38 -6.663 -16.404 1.031 1.00 25.03 H new ATOM 0 HD13 LEU A 38 -5.666 -15.609 -0.211 1.00 25.03 H new ATOM 0 HD21 LEU A 38 -4.726 -13.311 1.627 1.00 1.32 H new ATOM 0 HD22 LEU A 38 -5.314 -13.038 -0.030 1.00 1.32 H new ATOM 0 HD23 LEU A 38 -6.073 -12.185 1.335 1.00 1.32 H new ATOM 546 N LEU A 39 -10.114 -13.804 2.403 1.00 54.44 N ATOM 547 CA LEU A 39 -10.516 -13.621 3.775 1.00 75.22 C ATOM 548 C LEU A 39 -11.865 -14.248 4.055 1.00 71.40 C ATOM 549 O LEU A 39 -12.195 -14.525 5.206 1.00 32.33 O ATOM 550 CB LEU A 39 -10.501 -12.142 4.155 1.00 53.02 C ATOM 551 CG LEU A 39 -9.143 -11.429 4.043 1.00 34.30 C ATOM 552 CD1 LEU A 39 -9.263 -9.982 4.478 1.00 14.40 C ATOM 553 CD2 LEU A 39 -8.075 -12.146 4.865 1.00 61.33 C ATOM 0 H LEU A 39 -10.376 -13.046 1.773 1.00 54.44 H new ATOM 0 HA LEU A 39 -9.788 -14.137 4.401 1.00 75.22 H new ATOM 0 HB2 LEU A 39 -11.217 -11.618 3.522 1.00 53.02 H new ATOM 0 HB3 LEU A 39 -10.854 -12.048 5.182 1.00 53.02 H new ATOM 0 HG LEU A 39 -8.837 -11.454 2.997 1.00 34.30 H new ATOM 0 HD11 LEU A 39 -8.292 -9.494 4.392 1.00 14.40 H new ATOM 0 HD12 LEU A 39 -9.984 -9.469 3.842 1.00 14.40 H new ATOM 0 HD13 LEU A 39 -9.599 -9.940 5.514 1.00 14.40 H new ATOM 0 HD21 LEU A 39 -7.126 -11.619 4.767 1.00 61.33 H new ATOM 0 HD22 LEU A 39 -8.373 -12.163 5.913 1.00 61.33 H new ATOM 0 HD23 LEU A 39 -7.962 -13.168 4.503 1.00 61.33 H new ATOM 565 N GLY A 40 -12.618 -14.510 3.010 1.00 64.33 N ATOM 566 CA GLY A 40 -13.925 -15.113 3.166 1.00 1.50 C ATOM 567 C GLY A 40 -14.937 -14.118 3.681 1.00 33.33 C ATOM 568 O GLY A 40 -15.886 -14.483 4.372 1.00 12.44 O ATOM 0 H GLY A 40 -12.350 -14.316 2.045 1.00 64.33 H new ATOM 0 HA2 GLY A 40 -14.260 -15.511 2.208 1.00 1.50 H new ATOM 0 HA3 GLY A 40 -13.858 -15.955 3.855 1.00 1.50 H new ATOM 572 N VAL A 41 -14.726 -12.869 3.360 1.00 10.14 N ATOM 573 CA VAL A 41 -15.599 -11.791 3.808 1.00 14.11 C ATOM 574 C VAL A 41 -16.114 -11.022 2.596 1.00 33.24 C ATOM 575 O VAL A 41 -15.555 -11.163 1.515 1.00 60.41 O ATOM 576 CB VAL A 41 -14.855 -10.811 4.778 1.00 53.20 C ATOM 577 CG1 VAL A 41 -14.323 -11.547 5.994 1.00 34.24 C ATOM 578 CG2 VAL A 41 -13.734 -10.049 4.073 1.00 73.51 C ATOM 0 H VAL A 41 -13.946 -12.559 2.780 1.00 10.14 H new ATOM 0 HA VAL A 41 -16.432 -12.233 4.355 1.00 14.11 H new ATOM 0 HB VAL A 41 -15.587 -10.076 5.113 1.00 53.20 H new ATOM 0 HG11 VAL A 41 -13.811 -10.843 6.650 1.00 34.24 H new ATOM 0 HG12 VAL A 41 -15.152 -12.008 6.532 1.00 34.24 H new ATOM 0 HG13 VAL A 41 -13.623 -12.319 5.675 1.00 34.24 H new ATOM 0 HG21 VAL A 41 -13.245 -9.381 4.783 1.00 73.51 H new ATOM 0 HG22 VAL A 41 -13.005 -10.757 3.679 1.00 73.51 H new ATOM 0 HG23 VAL A 41 -14.151 -9.464 3.253 1.00 73.51 H new ATOM 588 N PRO A 42 -17.203 -10.254 2.723 1.00 43.24 N ATOM 589 CA PRO A 42 -17.693 -9.420 1.626 1.00 12.21 C ATOM 590 C PRO A 42 -16.754 -8.235 1.337 1.00 31.12 C ATOM 591 O PRO A 42 -15.966 -7.811 2.211 1.00 64.34 O ATOM 592 CB PRO A 42 -19.048 -8.914 2.128 1.00 34.23 C ATOM 593 CG PRO A 42 -18.949 -8.980 3.611 1.00 52.14 C ATOM 594 CD PRO A 42 -18.089 -10.173 3.907 1.00 73.01 C ATOM 0 HA PRO A 42 -17.756 -9.977 0.691 1.00 12.21 H new ATOM 0 HB2 PRO A 42 -19.241 -7.896 1.789 1.00 34.23 H new ATOM 0 HB3 PRO A 42 -19.864 -9.534 1.757 1.00 34.23 H new ATOM 0 HG2 PRO A 42 -18.507 -8.069 4.015 1.00 52.14 H new ATOM 0 HG3 PRO A 42 -19.934 -9.085 4.065 1.00 52.14 H new ATOM 0 HD2 PRO A 42 -17.520 -10.041 4.827 1.00 73.01 H new ATOM 0 HD3 PRO A 42 -18.684 -11.078 4.027 1.00 73.01 H new ATOM 602 N VAL A 43 -16.860 -7.700 0.129 1.00 43.34 N ATOM 603 CA VAL A 43 -16.051 -6.569 -0.338 1.00 75.30 C ATOM 604 C VAL A 43 -16.276 -5.344 0.537 1.00 52.13 C ATOM 605 O VAL A 43 -15.364 -4.560 0.780 1.00 21.53 O ATOM 606 CB VAL A 43 -16.357 -6.233 -1.827 1.00 3.52 C ATOM 607 CG1 VAL A 43 -15.544 -5.038 -2.318 1.00 0.32 C ATOM 608 CG2 VAL A 43 -16.093 -7.439 -2.710 1.00 0.25 C ATOM 0 H VAL A 43 -17.520 -8.041 -0.570 1.00 43.34 H new ATOM 0 HA VAL A 43 -15.003 -6.861 -0.264 1.00 75.30 H new ATOM 0 HB VAL A 43 -17.412 -5.967 -1.889 1.00 3.52 H new ATOM 0 HG11 VAL A 43 -15.787 -4.837 -3.361 1.00 0.32 H new ATOM 0 HG12 VAL A 43 -15.783 -4.163 -1.714 1.00 0.32 H new ATOM 0 HG13 VAL A 43 -14.481 -5.260 -2.230 1.00 0.32 H new ATOM 0 HG21 VAL A 43 -16.312 -7.186 -3.747 1.00 0.25 H new ATOM 0 HG22 VAL A 43 -15.047 -7.733 -2.622 1.00 0.25 H new ATOM 0 HG23 VAL A 43 -16.730 -8.266 -2.396 1.00 0.25 H new ATOM 618 N SER A 44 -17.475 -5.212 1.025 1.00 30.54 N ATOM 619 CA SER A 44 -17.844 -4.142 1.901 1.00 44.54 C ATOM 620 C SER A 44 -17.003 -4.157 3.196 1.00 51.52 C ATOM 621 O SER A 44 -16.533 -3.112 3.654 1.00 63.24 O ATOM 622 CB SER A 44 -19.326 -4.262 2.169 1.00 73.11 C ATOM 623 OG SER A 44 -19.657 -5.611 2.475 1.00 24.22 O ATOM 0 H SER A 44 -18.237 -5.858 0.820 1.00 30.54 H new ATOM 0 HA SER A 44 -17.638 -3.178 1.436 1.00 44.54 H new ATOM 0 HB2 SER A 44 -19.608 -3.613 2.998 1.00 73.11 H new ATOM 0 HB3 SER A 44 -19.890 -3.929 1.297 1.00 73.11 H new ATOM 0 HG SER A 44 -20.619 -5.680 2.649 1.00 24.22 H new ATOM 629 N LYS A 45 -16.757 -5.355 3.737 1.00 41.51 N ATOM 630 CA LYS A 45 -15.931 -5.495 4.927 1.00 63.41 C ATOM 631 C LYS A 45 -14.486 -5.164 4.572 1.00 23.34 C ATOM 632 O LYS A 45 -13.754 -4.589 5.367 1.00 34.43 O ATOM 633 CB LYS A 45 -16.034 -6.906 5.525 1.00 33.53 C ATOM 634 CG LYS A 45 -15.386 -7.041 6.905 1.00 22.30 C ATOM 635 CD LYS A 45 -15.586 -8.433 7.479 1.00 34.51 C ATOM 636 CE LYS A 45 -15.048 -8.559 8.901 1.00 30.52 C ATOM 637 NZ LYS A 45 -13.584 -8.375 8.986 1.00 71.05 N ATOM 0 H LYS A 45 -17.119 -6.234 3.367 1.00 41.51 H new ATOM 0 HA LYS A 45 -16.291 -4.800 5.686 1.00 63.41 H new ATOM 0 HB2 LYS A 45 -17.086 -7.183 5.599 1.00 33.53 H new ATOM 0 HB3 LYS A 45 -15.565 -7.615 4.843 1.00 33.53 H new ATOM 0 HG2 LYS A 45 -14.320 -6.827 6.830 1.00 22.30 H new ATOM 0 HG3 LYS A 45 -15.813 -6.302 7.583 1.00 22.30 H new ATOM 0 HD2 LYS A 45 -16.648 -8.676 7.473 1.00 34.51 H new ATOM 0 HD3 LYS A 45 -15.088 -9.162 6.839 1.00 34.51 H new ATOM 0 HE2 LYS A 45 -15.538 -7.820 9.535 1.00 30.52 H new ATOM 0 HE3 LYS A 45 -15.308 -9.541 9.296 1.00 30.52 H new ATOM 0 HZ1 LYS A 45 -13.272 -8.522 9.967 1.00 71.05 H new ATOM 0 HZ2 LYS A 45 -13.111 -9.063 8.365 1.00 71.05 H new ATOM 0 HZ3 LYS A 45 -13.337 -7.410 8.685 1.00 71.05 H new ATOM 651 N VAL A 46 -14.099 -5.508 3.348 1.00 63.42 N ATOM 652 CA VAL A 46 -12.769 -5.192 2.845 1.00 50.30 C ATOM 653 C VAL A 46 -12.595 -3.675 2.772 1.00 52.43 C ATOM 654 O VAL A 46 -11.573 -3.125 3.209 1.00 61.40 O ATOM 655 CB VAL A 46 -12.496 -5.830 1.452 1.00 1.02 C ATOM 656 CG1 VAL A 46 -11.101 -5.476 0.959 1.00 40.22 C ATOM 657 CG2 VAL A 46 -12.667 -7.343 1.505 1.00 10.42 C ATOM 0 H VAL A 46 -14.691 -6.008 2.685 1.00 63.42 H new ATOM 0 HA VAL A 46 -12.044 -5.617 3.539 1.00 50.30 H new ATOM 0 HB VAL A 46 -13.225 -5.424 0.750 1.00 1.02 H new ATOM 0 HG11 VAL A 46 -10.933 -5.933 -0.016 1.00 40.22 H new ATOM 0 HG12 VAL A 46 -11.009 -4.393 0.873 1.00 40.22 H new ATOM 0 HG13 VAL A 46 -10.360 -5.848 1.666 1.00 40.22 H new ATOM 0 HG21 VAL A 46 -12.471 -7.766 0.520 1.00 10.42 H new ATOM 0 HG22 VAL A 46 -11.966 -7.763 2.226 1.00 10.42 H new ATOM 0 HG23 VAL A 46 -13.686 -7.584 1.807 1.00 10.42 H new ATOM 667 N ALA A 47 -13.622 -3.017 2.267 1.00 41.23 N ATOM 668 CA ALA A 47 -13.662 -1.573 2.167 1.00 43.42 C ATOM 669 C ALA A 47 -13.604 -0.945 3.551 1.00 52.04 C ATOM 670 O ALA A 47 -12.976 0.087 3.738 1.00 52.24 O ATOM 671 CB ALA A 47 -14.906 -1.119 1.420 1.00 5.43 C ATOM 0 H ALA A 47 -14.460 -3.477 1.911 1.00 41.23 H new ATOM 0 HA ALA A 47 -12.791 -1.242 1.602 1.00 43.42 H new ATOM 0 HB1 ALA A 47 -14.916 -0.031 1.357 1.00 5.43 H new ATOM 0 HB2 ALA A 47 -14.901 -1.541 0.415 1.00 5.43 H new ATOM 0 HB3 ALA A 47 -15.794 -1.459 1.952 1.00 5.43 H new ATOM 677 N GLN A 48 -14.244 -1.585 4.520 1.00 42.34 N ATOM 678 CA GLN A 48 -14.228 -1.102 5.894 1.00 33.45 C ATOM 679 C GLN A 48 -12.838 -1.167 6.506 1.00 75.32 C ATOM 680 O GLN A 48 -12.467 -0.303 7.291 1.00 44.34 O ATOM 681 CB GLN A 48 -15.270 -1.772 6.786 1.00 1.14 C ATOM 682 CG GLN A 48 -16.709 -1.416 6.444 1.00 52.32 C ATOM 683 CD GLN A 48 -16.951 0.088 6.406 1.00 61.43 C ATOM 684 OE1 GLN A 48 -16.837 0.722 5.360 1.00 31.33 O ATOM 685 NE2 GLN A 48 -17.271 0.674 7.530 1.00 22.15 N ATOM 0 H GLN A 48 -14.781 -2.441 4.380 1.00 42.34 H new ATOM 0 HA GLN A 48 -14.513 -0.051 5.838 1.00 33.45 H new ATOM 0 HB2 GLN A 48 -15.149 -2.853 6.717 1.00 1.14 H new ATOM 0 HB3 GLN A 48 -15.076 -1.495 7.822 1.00 1.14 H new ATOM 0 HG2 GLN A 48 -16.964 -1.845 5.475 1.00 52.32 H new ATOM 0 HG3 GLN A 48 -17.375 -1.868 7.179 1.00 52.32 H new ATOM 0 HE21 GLN A 48 -17.359 0.124 8.385 1.00 22.15 H new ATOM 0 HE22 GLN A 48 -17.432 1.681 7.552 1.00 22.15 H new ATOM 694 N GLN A 49 -12.065 -2.186 6.145 1.00 31.33 N ATOM 695 CA GLN A 49 -10.675 -2.281 6.606 1.00 61.12 C ATOM 696 C GLN A 49 -9.895 -1.086 6.068 1.00 71.45 C ATOM 697 O GLN A 49 -9.123 -0.439 6.779 1.00 51.11 O ATOM 698 CB GLN A 49 -10.016 -3.578 6.135 1.00 31.45 C ATOM 699 CG GLN A 49 -10.774 -4.814 6.535 1.00 44.31 C ATOM 700 CD GLN A 49 -10.003 -6.091 6.279 1.00 11.43 C ATOM 701 OE1 GLN A 49 -10.132 -6.645 5.108 1.00 21.31 O flip ATOM 702 NE2 GLN A 49 -9.286 -6.577 7.141 1.00 63.14 N flip ATOM 0 H GLN A 49 -12.368 -2.951 5.542 1.00 31.33 H new ATOM 0 HA GLN A 49 -10.670 -2.281 7.696 1.00 61.12 H new ATOM 0 HB2 GLN A 49 -9.921 -3.555 5.049 1.00 31.45 H new ATOM 0 HB3 GLN A 49 -9.006 -3.632 6.542 1.00 31.45 H new ATOM 0 HG2 GLN A 49 -11.024 -4.753 7.594 1.00 44.31 H new ATOM 0 HG3 GLN A 49 -11.716 -4.849 5.987 1.00 44.31 H new ATOM 0 HE21 GLN A 49 -9.202 -6.123 8.050 1.00 63.14 H new ATOM 0 HE22 GLN A 49 -8.771 -7.437 6.951 1.00 63.14 H new ATOM 711 N LEU A 50 -10.152 -0.786 4.821 1.00 1.23 N ATOM 712 CA LEU A 50 -9.566 0.364 4.137 1.00 75.13 C ATOM 713 C LEU A 50 -10.043 1.675 4.826 1.00 45.44 C ATOM 714 O LEU A 50 -9.292 2.632 4.952 1.00 41.12 O ATOM 715 CB LEU A 50 -9.970 0.320 2.645 1.00 54.23 C ATOM 716 CG LEU A 50 -9.445 1.429 1.715 1.00 64.21 C ATOM 717 CD1 LEU A 50 -7.934 1.427 1.641 1.00 5.32 C ATOM 718 CD2 LEU A 50 -10.044 1.276 0.324 1.00 63.24 C ATOM 0 H LEU A 50 -10.781 -1.334 4.234 1.00 1.23 H new ATOM 0 HA LEU A 50 -8.478 0.334 4.197 1.00 75.13 H new ATOM 0 HB2 LEU A 50 -9.642 -0.637 2.240 1.00 54.23 H new ATOM 0 HB3 LEU A 50 -11.059 0.331 2.595 1.00 54.23 H new ATOM 0 HG LEU A 50 -9.753 2.387 2.133 1.00 64.21 H new ATOM 0 HD11 LEU A 50 -7.601 2.223 0.975 1.00 5.32 H new ATOM 0 HD12 LEU A 50 -7.521 1.590 2.636 1.00 5.32 H new ATOM 0 HD13 LEU A 50 -7.590 0.466 1.258 1.00 5.32 H new ATOM 0 HD21 LEU A 50 -9.665 2.066 -0.324 1.00 63.24 H new ATOM 0 HD22 LEU A 50 -9.767 0.305 -0.087 1.00 63.24 H new ATOM 0 HD23 LEU A 50 -11.130 1.347 0.386 1.00 63.24 H new ATOM 730 N ARG A 51 -11.283 1.661 5.304 1.00 12.32 N ATOM 731 CA ARG A 51 -11.892 2.780 6.041 1.00 73.14 C ATOM 732 C ARG A 51 -11.228 3.010 7.404 1.00 13.12 C ATOM 733 O ARG A 51 -11.202 4.137 7.899 1.00 24.11 O ATOM 734 CB ARG A 51 -13.404 2.551 6.239 1.00 12.30 C ATOM 735 CG ARG A 51 -14.238 2.683 4.976 1.00 52.31 C ATOM 736 CD ARG A 51 -14.481 4.134 4.625 1.00 74.44 C ATOM 737 NE ARG A 51 -15.037 4.294 3.280 1.00 34.23 N ATOM 738 CZ ARG A 51 -16.290 4.660 2.971 1.00 33.40 C ATOM 739 NH1 ARG A 51 -17.187 4.915 3.928 1.00 51.42 N ATOM 740 NH2 ARG A 51 -16.633 4.803 1.695 1.00 62.41 N ATOM 0 H ARG A 51 -11.909 0.863 5.192 1.00 12.32 H new ATOM 0 HA ARG A 51 -11.735 3.672 5.434 1.00 73.14 H new ATOM 0 HB2 ARG A 51 -13.555 1.555 6.655 1.00 12.30 H new ATOM 0 HB3 ARG A 51 -13.772 3.264 6.977 1.00 12.30 H new ATOM 0 HG2 ARG A 51 -13.730 2.187 4.149 1.00 52.31 H new ATOM 0 HG3 ARG A 51 -15.193 2.175 5.114 1.00 52.31 H new ATOM 0 HD2 ARG A 51 -15.164 4.572 5.353 1.00 74.44 H new ATOM 0 HD3 ARG A 51 -13.543 4.685 4.696 1.00 74.44 H new ATOM 0 HE ARG A 51 -14.408 4.108 2.499 1.00 34.23 H new ATOM 0 HH11 ARG A 51 -16.923 4.832 4.910 1.00 51.42 H new ATOM 0 HH12 ARG A 51 -18.136 5.192 3.677 1.00 51.42 H new ATOM 0 HH21 ARG A 51 -15.946 4.635 0.960 1.00 62.41 H new ATOM 0 HH22 ARG A 51 -17.583 5.081 1.450 1.00 62.41 H new ATOM 754 N GLU A 52 -10.700 1.967 8.009 1.00 42.11 N ATOM 755 CA GLU A 52 -10.077 2.113 9.319 1.00 74.14 C ATOM 756 C GLU A 52 -8.558 2.135 9.226 1.00 63.11 C ATOM 757 O GLU A 52 -7.861 2.140 10.253 1.00 63.13 O ATOM 758 CB GLU A 52 -10.561 1.043 10.296 1.00 64.31 C ATOM 759 CG GLU A 52 -10.342 -0.377 9.829 1.00 40.14 C ATOM 760 CD GLU A 52 -10.735 -1.376 10.866 1.00 31.52 C ATOM 761 OE1 GLU A 52 -11.913 -1.769 10.921 1.00 34.33 O ATOM 762 OE2 GLU A 52 -9.868 -1.775 11.669 1.00 35.32 O ATOM 0 H GLU A 52 -10.686 1.021 7.627 1.00 42.11 H new ATOM 0 HA GLU A 52 -10.389 3.080 9.713 1.00 74.14 H new ATOM 0 HB2 GLU A 52 -10.050 1.181 11.249 1.00 64.31 H new ATOM 0 HB3 GLU A 52 -11.625 1.192 10.480 1.00 64.31 H new ATOM 0 HG2 GLU A 52 -10.918 -0.552 8.921 1.00 40.14 H new ATOM 0 HG3 GLU A 52 -9.292 -0.516 9.572 1.00 40.14 H new ATOM 769 N GLY A 53 -8.050 2.149 8.004 1.00 30.35 N ATOM 770 CA GLY A 53 -6.619 2.197 7.789 1.00 33.20 C ATOM 771 C GLY A 53 -5.937 0.918 8.208 1.00 21.53 C ATOM 772 O GLY A 53 -4.914 0.943 8.889 1.00 62.03 O ATOM 0 H GLY A 53 -8.608 2.128 7.151 1.00 30.35 H new ATOM 0 HA2 GLY A 53 -6.418 2.386 6.734 1.00 33.20 H new ATOM 0 HA3 GLY A 53 -6.197 3.032 8.348 1.00 33.20 H new ATOM 776 N HIS A 54 -6.543 -0.194 7.856 1.00 62.21 N ATOM 777 CA HIS A 54 -5.973 -1.502 8.145 1.00 71.14 C ATOM 778 C HIS A 54 -5.391 -2.094 6.852 1.00 74.41 C ATOM 779 O HIS A 54 -4.571 -3.000 6.881 1.00 41.24 O ATOM 780 CB HIS A 54 -7.068 -2.419 8.735 1.00 34.15 C ATOM 781 CG HIS A 54 -6.574 -3.681 9.401 1.00 24.01 C ATOM 782 ND1 HIS A 54 -6.623 -3.898 10.763 1.00 3.35 N ATOM 783 CD2 HIS A 54 -6.069 -4.814 8.866 1.00 65.23 C ATOM 784 CE1 HIS A 54 -6.162 -5.125 11.007 1.00 23.42 C ATOM 785 NE2 HIS A 54 -5.811 -5.733 9.884 1.00 74.15 N ATOM 0 H HIS A 54 -7.437 -0.224 7.366 1.00 62.21 H new ATOM 0 HA HIS A 54 -5.171 -1.413 8.877 1.00 71.14 H new ATOM 0 HB2 HIS A 54 -7.643 -1.846 9.463 1.00 34.15 H new ATOM 0 HB3 HIS A 54 -7.754 -2.697 7.935 1.00 34.15 H new ATOM 0 HD2 HIS A 54 -5.892 -4.982 7.814 1.00 65.23 H new ATOM 0 HE1 HIS A 54 -6.085 -5.565 11.990 1.00 23.42 H new ATOM 0 HE2 HIS A 54 -5.432 -6.675 9.784 1.00 74.15 H new ATOM 793 N LEU A 55 -5.798 -1.539 5.726 1.00 21.14 N ATOM 794 CA LEU A 55 -5.372 -2.013 4.428 1.00 32.35 C ATOM 795 C LEU A 55 -5.350 -0.816 3.482 1.00 44.03 C ATOM 796 O LEU A 55 -6.002 0.186 3.771 1.00 50.54 O ATOM 797 CB LEU A 55 -6.361 -3.088 3.925 1.00 32.20 C ATOM 798 CG LEU A 55 -5.984 -3.838 2.639 1.00 23.22 C ATOM 799 CD1 LEU A 55 -4.685 -4.615 2.829 1.00 40.23 C ATOM 800 CD2 LEU A 55 -7.110 -4.772 2.220 1.00 62.23 C ATOM 0 H LEU A 55 -6.436 -0.744 5.689 1.00 21.14 H new ATOM 0 HA LEU A 55 -4.380 -2.462 4.480 1.00 32.35 H new ATOM 0 HB2 LEU A 55 -6.494 -3.823 4.719 1.00 32.20 H new ATOM 0 HB3 LEU A 55 -7.328 -2.611 3.767 1.00 32.20 H new ATOM 0 HG LEU A 55 -5.829 -3.106 1.847 1.00 23.22 H new ATOM 0 HD11 LEU A 55 -4.436 -5.139 1.906 1.00 40.23 H new ATOM 0 HD12 LEU A 55 -3.881 -3.924 3.082 1.00 40.23 H new ATOM 0 HD13 LEU A 55 -4.808 -5.338 3.635 1.00 40.23 H new ATOM 0 HD21 LEU A 55 -6.827 -5.296 1.307 1.00 62.23 H new ATOM 0 HD22 LEU A 55 -7.295 -5.497 3.012 1.00 62.23 H new ATOM 0 HD23 LEU A 55 -8.015 -4.192 2.040 1.00 62.23 H new ATOM 812 N VAL A 56 -4.588 -0.908 2.384 1.00 40.23 N ATOM 813 CA VAL A 56 -4.466 0.174 1.389 1.00 25.00 C ATOM 814 C VAL A 56 -4.546 -0.429 -0.015 1.00 1.22 C ATOM 815 O VAL A 56 -4.093 -1.557 -0.226 1.00 22.34 O ATOM 816 CB VAL A 56 -3.116 0.965 1.549 1.00 33.31 C ATOM 817 CG1 VAL A 56 -2.952 2.048 0.490 1.00 1.41 C ATOM 818 CG2 VAL A 56 -3.036 1.600 2.906 1.00 13.41 C ATOM 0 H VAL A 56 -4.036 -1.735 2.157 1.00 40.23 H new ATOM 0 HA VAL A 56 -5.282 0.879 1.548 1.00 25.00 H new ATOM 0 HB VAL A 56 -2.313 0.238 1.425 1.00 33.31 H new ATOM 0 HG11 VAL A 56 -2.005 2.566 0.643 1.00 1.41 H new ATOM 0 HG12 VAL A 56 -2.961 1.593 -0.500 1.00 1.41 H new ATOM 0 HG13 VAL A 56 -3.772 2.761 0.569 1.00 1.41 H new ATOM 0 HG21 VAL A 56 -2.095 2.143 2.999 1.00 13.41 H new ATOM 0 HG22 VAL A 56 -3.868 2.292 3.034 1.00 13.41 H new ATOM 0 HG23 VAL A 56 -3.086 0.827 3.673 1.00 13.41 H new ATOM 828 N ALA A 57 -5.107 0.316 -0.952 1.00 44.30 N ATOM 829 CA ALA A 57 -5.302 -0.138 -2.310 1.00 34.33 C ATOM 830 C ALA A 57 -4.704 0.864 -3.288 1.00 71.35 C ATOM 831 O ALA A 57 -4.465 2.008 -2.926 1.00 3.31 O ATOM 832 CB ALA A 57 -6.791 -0.282 -2.584 1.00 11.13 C ATOM 0 H ALA A 57 -5.443 1.265 -0.785 1.00 44.30 H new ATOM 0 HA ALA A 57 -4.807 -1.101 -2.439 1.00 34.33 H new ATOM 0 HB1 ALA A 57 -6.941 -0.624 -3.608 1.00 11.13 H new ATOM 0 HB2 ALA A 57 -7.220 -1.007 -1.892 1.00 11.13 H new ATOM 0 HB3 ALA A 57 -7.281 0.682 -2.448 1.00 11.13 H new ATOM 838 N VAL A 58 -4.471 0.420 -4.506 1.00 35.22 N ATOM 839 CA VAL A 58 -3.965 1.253 -5.595 1.00 4.33 C ATOM 840 C VAL A 58 -4.730 0.938 -6.852 1.00 60.23 C ATOM 841 O VAL A 58 -5.424 -0.075 -6.913 1.00 34.21 O ATOM 842 CB VAL A 58 -2.449 1.066 -5.879 1.00 51.23 C ATOM 843 CG1 VAL A 58 -1.618 1.715 -4.807 1.00 42.51 C ATOM 844 CG2 VAL A 58 -2.090 -0.415 -6.006 1.00 14.32 C ATOM 0 H VAL A 58 -4.629 -0.550 -4.780 1.00 35.22 H new ATOM 0 HA VAL A 58 -4.104 2.287 -5.281 1.00 4.33 H new ATOM 0 HB VAL A 58 -2.229 1.553 -6.829 1.00 51.23 H new ATOM 0 HG11 VAL A 58 -0.561 1.570 -5.029 1.00 42.51 H new ATOM 0 HG12 VAL A 58 -1.839 2.782 -4.772 1.00 42.51 H new ATOM 0 HG13 VAL A 58 -1.852 1.264 -3.843 1.00 42.51 H new ATOM 0 HG21 VAL A 58 -1.023 -0.515 -6.205 1.00 14.32 H new ATOM 0 HG22 VAL A 58 -2.336 -0.930 -5.077 1.00 14.32 H new ATOM 0 HG23 VAL A 58 -2.655 -0.857 -6.827 1.00 14.32 H new ATOM 854 N ARG A 59 -4.616 1.777 -7.845 1.00 1.34 N ATOM 855 CA ARG A 59 -5.328 1.571 -9.074 1.00 20.13 C ATOM 856 C ARG A 59 -4.340 1.369 -10.209 1.00 11.10 C ATOM 857 O ARG A 59 -3.577 2.275 -10.549 1.00 40.34 O ATOM 858 CB ARG A 59 -6.255 2.757 -9.356 1.00 22.04 C ATOM 859 CG ARG A 59 -7.203 2.543 -10.524 1.00 43.54 C ATOM 860 CD ARG A 59 -8.057 3.771 -10.773 1.00 15.41 C ATOM 861 NE ARG A 59 -9.052 3.550 -11.834 1.00 35.14 N ATOM 862 CZ ARG A 59 -9.513 4.498 -12.671 1.00 25.33 C ATOM 863 NH1 ARG A 59 -9.068 5.749 -12.577 1.00 12.40 N ATOM 864 NH2 ARG A 59 -10.432 4.190 -13.590 1.00 4.12 N ATOM 0 H ARG A 59 -4.033 2.614 -7.825 1.00 1.34 H new ATOM 0 HA ARG A 59 -5.945 0.677 -8.988 1.00 20.13 H new ATOM 0 HB2 ARG A 59 -6.841 2.967 -8.461 1.00 22.04 H new ATOM 0 HB3 ARG A 59 -5.647 3.640 -9.553 1.00 22.04 H new ATOM 0 HG2 ARG A 59 -6.631 2.308 -11.421 1.00 43.54 H new ATOM 0 HG3 ARG A 59 -7.845 1.686 -10.322 1.00 43.54 H new ATOM 0 HD2 ARG A 59 -8.567 4.050 -9.851 1.00 15.41 H new ATOM 0 HD3 ARG A 59 -7.415 4.608 -11.048 1.00 15.41 H new ATOM 0 HE ARG A 59 -9.421 2.605 -11.944 1.00 35.14 H new ATOM 0 HH11 ARG A 59 -8.375 5.992 -11.869 1.00 12.40 H new ATOM 0 HH12 ARG A 59 -9.420 6.465 -13.213 1.00 12.40 H new ATOM 0 HH21 ARG A 59 -10.785 3.236 -13.658 1.00 4.12 H new ATOM 0 HH22 ARG A 59 -10.781 4.909 -14.224 1.00 4.12 H new ATOM 878 N ARG A 60 -4.362 0.195 -10.791 1.00 44.22 N ATOM 879 CA ARG A 60 -3.469 -0.147 -11.871 1.00 21.44 C ATOM 880 C ARG A 60 -4.287 -0.418 -13.123 1.00 63.14 C ATOM 881 O ARG A 60 -5.249 -1.199 -13.088 1.00 10.33 O ATOM 882 CB ARG A 60 -2.517 -1.347 -11.482 1.00 22.21 C ATOM 883 CG ARG A 60 -3.181 -2.698 -11.151 1.00 22.21 C ATOM 884 CD ARG A 60 -3.563 -3.494 -12.397 1.00 1.35 C ATOM 885 NE ARG A 60 -4.427 -4.644 -12.086 1.00 43.32 N ATOM 886 CZ ARG A 60 -5.667 -4.827 -12.582 1.00 40.30 C ATOM 887 NH1 ARG A 60 -6.217 -3.905 -13.368 1.00 42.43 N ATOM 888 NH2 ARG A 60 -6.358 -5.920 -12.273 1.00 1.33 N ATOM 0 H ARG A 60 -5.003 -0.554 -10.528 1.00 44.22 H new ATOM 0 HA ARG A 60 -2.804 0.692 -12.076 1.00 21.44 H new ATOM 0 HB2 ARG A 60 -1.821 -1.506 -12.306 1.00 22.21 H new ATOM 0 HB3 ARG A 60 -1.925 -1.042 -10.619 1.00 22.21 H new ATOM 0 HG2 ARG A 60 -2.500 -3.292 -10.541 1.00 22.21 H new ATOM 0 HG3 ARG A 60 -4.074 -2.521 -10.551 1.00 22.21 H new ATOM 0 HD2 ARG A 60 -4.075 -2.838 -13.101 1.00 1.35 H new ATOM 0 HD3 ARG A 60 -2.658 -3.847 -12.891 1.00 1.35 H new ATOM 0 HE ARG A 60 -4.062 -5.353 -11.450 1.00 43.32 H new ATOM 0 HH11 ARG A 60 -5.700 -3.056 -13.597 1.00 42.43 H new ATOM 0 HH12 ARG A 60 -7.156 -4.047 -13.741 1.00 42.43 H new ATOM 0 HH21 ARG A 60 -5.950 -6.624 -11.658 1.00 1.33 H new ATOM 0 HH22 ARG A 60 -7.296 -6.054 -12.651 1.00 1.33 H new ATOM 902 N ALA A 61 -3.974 0.295 -14.191 1.00 22.25 N ATOM 903 CA ALA A 61 -4.642 0.150 -15.503 1.00 12.51 C ATOM 904 C ALA A 61 -6.174 0.333 -15.416 1.00 4.32 C ATOM 905 O ALA A 61 -6.912 -0.113 -16.291 1.00 53.23 O ATOM 906 CB ALA A 61 -4.296 -1.204 -16.126 1.00 65.12 C ATOM 0 H ALA A 61 -3.241 1.004 -14.187 1.00 22.25 H new ATOM 0 HA ALA A 61 -4.267 0.949 -16.143 1.00 12.51 H new ATOM 0 HB1 ALA A 61 -4.794 -1.298 -17.091 1.00 65.12 H new ATOM 0 HB2 ALA A 61 -3.217 -1.275 -16.266 1.00 65.12 H new ATOM 0 HB3 ALA A 61 -4.630 -2.004 -15.466 1.00 65.12 H new ATOM 912 N GLY A 62 -6.634 1.015 -14.388 1.00 55.31 N ATOM 913 CA GLY A 62 -8.050 1.221 -14.225 1.00 23.33 C ATOM 914 C GLY A 62 -8.641 0.431 -13.073 1.00 52.25 C ATOM 915 O GLY A 62 -9.640 0.842 -12.495 1.00 64.24 O ATOM 0 H GLY A 62 -6.051 1.431 -13.661 1.00 55.31 H new ATOM 0 HA2 GLY A 62 -8.240 2.282 -14.064 1.00 23.33 H new ATOM 0 HA3 GLY A 62 -8.560 0.942 -15.147 1.00 23.33 H new ATOM 919 N GLY A 63 -7.998 -0.651 -12.694 1.00 30.50 N ATOM 920 CA GLY A 63 -8.538 -1.512 -11.659 1.00 30.35 C ATOM 921 C GLY A 63 -7.927 -1.241 -10.321 1.00 72.44 C ATOM 922 O GLY A 63 -6.737 -0.961 -10.233 1.00 74.51 O ATOM 0 H GLY A 63 -7.106 -0.957 -13.083 1.00 30.50 H new ATOM 0 HA2 GLY A 63 -9.617 -1.371 -11.599 1.00 30.35 H new ATOM 0 HA3 GLY A 63 -8.367 -2.554 -11.930 1.00 30.35 H new ATOM 926 N VAL A 64 -8.713 -1.337 -9.278 1.00 35.52 N ATOM 927 CA VAL A 64 -8.216 -1.114 -7.948 1.00 33.52 C ATOM 928 C VAL A 64 -7.867 -2.455 -7.314 1.00 14.41 C ATOM 929 O VAL A 64 -8.685 -3.391 -7.283 1.00 71.14 O ATOM 930 CB VAL A 64 -9.201 -0.270 -7.067 1.00 43.34 C ATOM 931 CG1 VAL A 64 -10.568 -0.913 -6.926 1.00 52.03 C ATOM 932 CG2 VAL A 64 -8.612 0.009 -5.704 1.00 31.23 C ATOM 0 H VAL A 64 -9.705 -1.570 -9.328 1.00 35.52 H new ATOM 0 HA VAL A 64 -7.311 -0.510 -8.012 1.00 33.52 H new ATOM 0 HB VAL A 64 -9.343 0.674 -7.593 1.00 43.34 H new ATOM 0 HG11 VAL A 64 -11.205 -0.282 -6.306 1.00 52.03 H new ATOM 0 HG12 VAL A 64 -11.020 -1.027 -7.911 1.00 52.03 H new ATOM 0 HG13 VAL A 64 -10.463 -1.893 -6.460 1.00 52.03 H new ATOM 0 HG21 VAL A 64 -9.318 0.596 -5.116 1.00 31.23 H new ATOM 0 HG22 VAL A 64 -8.411 -0.933 -5.195 1.00 31.23 H new ATOM 0 HG23 VAL A 64 -7.682 0.566 -5.817 1.00 31.23 H new ATOM 942 N VAL A 65 -6.640 -2.553 -6.885 1.00 10.03 N ATOM 943 CA VAL A 65 -6.054 -3.780 -6.397 1.00 32.21 C ATOM 944 C VAL A 65 -5.266 -3.545 -5.121 1.00 33.00 C ATOM 945 O VAL A 65 -4.997 -2.395 -4.736 1.00 21.05 O ATOM 946 CB VAL A 65 -5.099 -4.387 -7.465 1.00 61.03 C ATOM 947 CG1 VAL A 65 -5.879 -4.917 -8.662 1.00 2.23 C ATOM 948 CG2 VAL A 65 -4.103 -3.341 -7.928 1.00 51.22 C ATOM 0 H VAL A 65 -5.997 -1.761 -6.863 1.00 10.03 H new ATOM 0 HA VAL A 65 -6.872 -4.470 -6.191 1.00 32.21 H new ATOM 0 HB VAL A 65 -4.566 -5.219 -7.005 1.00 61.03 H new ATOM 0 HG11 VAL A 65 -5.186 -5.335 -9.392 1.00 2.23 H new ATOM 0 HG12 VAL A 65 -6.570 -5.693 -8.332 1.00 2.23 H new ATOM 0 HG13 VAL A 65 -6.440 -4.103 -9.120 1.00 2.23 H new ATOM 0 HG21 VAL A 65 -3.439 -3.776 -8.675 1.00 51.22 H new ATOM 0 HG22 VAL A 65 -4.638 -2.498 -8.365 1.00 51.22 H new ATOM 0 HG23 VAL A 65 -3.515 -2.997 -7.077 1.00 51.22 H new ATOM 958 N ILE A 66 -4.903 -4.630 -4.491 1.00 15.22 N ATOM 959 CA ILE A 66 -4.117 -4.639 -3.280 1.00 53.51 C ATOM 960 C ILE A 66 -2.826 -5.395 -3.623 1.00 74.55 C ATOM 961 O ILE A 66 -2.892 -6.394 -4.314 1.00 24.31 O ATOM 962 CB ILE A 66 -4.845 -5.437 -2.143 1.00 11.22 C ATOM 963 CG1 ILE A 66 -6.303 -4.975 -1.930 1.00 10.12 C ATOM 964 CG2 ILE A 66 -4.071 -5.365 -0.833 1.00 21.24 C ATOM 965 CD1 ILE A 66 -6.459 -3.550 -1.469 1.00 14.52 C ATOM 0 H ILE A 66 -5.153 -5.564 -4.815 1.00 15.22 H new ATOM 0 HA ILE A 66 -3.945 -3.620 -2.934 1.00 53.51 H new ATOM 0 HB ILE A 66 -4.879 -6.475 -2.474 1.00 11.22 H new ATOM 0 HG12 ILE A 66 -6.848 -5.100 -2.866 1.00 10.12 H new ATOM 0 HG13 ILE A 66 -6.773 -5.631 -1.197 1.00 10.12 H new ATOM 0 HG21 ILE A 66 -4.602 -5.928 -0.065 1.00 21.24 H new ATOM 0 HG22 ILE A 66 -3.078 -5.791 -0.974 1.00 21.24 H new ATOM 0 HG23 ILE A 66 -3.979 -4.325 -0.521 1.00 21.24 H new ATOM 0 HD11 ILE A 66 -7.518 -3.321 -1.348 1.00 14.52 H new ATOM 0 HD12 ILE A 66 -5.948 -3.418 -0.515 1.00 14.52 H new ATOM 0 HD13 ILE A 66 -6.024 -2.878 -2.209 1.00 14.52 H new ATOM 977 N PRO A 67 -1.652 -4.935 -3.224 1.00 11.12 N ATOM 978 CA PRO A 67 -0.406 -5.663 -3.499 1.00 53.22 C ATOM 979 C PRO A 67 -0.300 -6.988 -2.700 1.00 10.24 C ATOM 980 O PRO A 67 -0.658 -7.035 -1.522 1.00 65.41 O ATOM 981 CB PRO A 67 0.686 -4.688 -3.036 1.00 4.14 C ATOM 982 CG PRO A 67 0.008 -3.366 -2.911 1.00 44.14 C ATOM 983 CD PRO A 67 -1.405 -3.669 -2.529 1.00 11.44 C ATOM 0 HA PRO A 67 -0.334 -5.952 -4.548 1.00 53.22 H new ATOM 0 HB2 PRO A 67 1.115 -5.001 -2.084 1.00 4.14 H new ATOM 0 HB3 PRO A 67 1.504 -4.644 -3.755 1.00 4.14 H new ATOM 0 HG2 PRO A 67 0.493 -2.747 -2.156 1.00 44.14 H new ATOM 0 HG3 PRO A 67 0.050 -2.814 -3.850 1.00 44.14 H new ATOM 0 HD2 PRO A 67 -1.522 -3.768 -1.450 1.00 11.44 H new ATOM 0 HD3 PRO A 67 -2.091 -2.886 -2.854 1.00 11.44 H new ATOM 991 N GLN A 68 0.212 -8.057 -3.359 1.00 0.43 N ATOM 992 CA GLN A 68 0.453 -9.386 -2.720 1.00 55.42 C ATOM 993 C GLN A 68 1.321 -9.221 -1.475 1.00 64.44 C ATOM 994 O GLN A 68 1.114 -9.861 -0.467 1.00 24.33 O ATOM 995 CB GLN A 68 1.208 -10.295 -3.715 1.00 13.01 C ATOM 996 CG GLN A 68 1.593 -11.685 -3.195 1.00 13.11 C ATOM 997 CD GLN A 68 0.424 -12.639 -3.044 1.00 64.25 C ATOM 998 OE1 GLN A 68 -0.523 -12.571 -3.943 1.00 60.31 O flip ATOM 999 NE2 GLN A 68 0.418 -13.489 -2.164 1.00 23.44 N flip ATOM 0 H GLN A 68 0.470 -8.028 -4.345 1.00 0.43 H new ATOM 0 HA GLN A 68 -0.507 -9.824 -2.446 1.00 55.42 H new ATOM 0 HB2 GLN A 68 0.590 -10.420 -4.604 1.00 13.01 H new ATOM 0 HB3 GLN A 68 2.117 -9.781 -4.028 1.00 13.01 H new ATOM 0 HG2 GLN A 68 2.322 -12.126 -3.875 1.00 13.11 H new ATOM 0 HG3 GLN A 68 2.085 -11.575 -2.229 1.00 13.11 H new ATOM 0 HE21 GLN A 68 1.171 -13.517 -1.477 1.00 23.44 H new ATOM 0 HE22 GLN A 68 -0.340 -14.170 -2.118 1.00 23.44 H new ATOM 1008 N VAL A 69 2.245 -8.299 -1.578 1.00 63.21 N ATOM 1009 CA VAL A 69 3.243 -8.018 -0.556 1.00 52.24 C ATOM 1010 C VAL A 69 2.667 -7.358 0.718 1.00 45.24 C ATOM 1011 O VAL A 69 3.394 -7.114 1.670 1.00 51.33 O ATOM 1012 CB VAL A 69 4.386 -7.159 -1.143 1.00 43.44 C ATOM 1013 CG1 VAL A 69 5.181 -7.960 -2.167 1.00 32.22 C ATOM 1014 CG2 VAL A 69 3.819 -5.910 -1.803 1.00 11.14 C ATOM 0 H VAL A 69 2.333 -7.700 -2.399 1.00 63.21 H new ATOM 0 HA VAL A 69 3.633 -8.985 -0.240 1.00 52.24 H new ATOM 0 HB VAL A 69 5.049 -6.866 -0.328 1.00 43.44 H new ATOM 0 HG11 VAL A 69 5.982 -7.341 -2.571 1.00 32.22 H new ATOM 0 HG12 VAL A 69 5.609 -8.840 -1.687 1.00 32.22 H new ATOM 0 HG13 VAL A 69 4.521 -8.273 -2.976 1.00 32.22 H new ATOM 0 HG21 VAL A 69 4.634 -5.313 -2.213 1.00 11.14 H new ATOM 0 HG22 VAL A 69 3.141 -6.199 -2.606 1.00 11.14 H new ATOM 0 HG23 VAL A 69 3.275 -5.322 -1.063 1.00 11.14 H new ATOM 1024 N PHE A 70 1.371 -7.065 0.718 1.00 71.02 N ATOM 1025 CA PHE A 70 0.698 -6.543 1.910 1.00 72.24 C ATOM 1026 C PHE A 70 0.196 -7.698 2.760 1.00 15.35 C ATOM 1027 O PHE A 70 -0.294 -7.523 3.887 1.00 2.22 O ATOM 1028 CB PHE A 70 -0.446 -5.583 1.536 1.00 53.42 C ATOM 1029 CG PHE A 70 -0.024 -4.134 1.449 1.00 5.41 C ATOM 1030 CD1 PHE A 70 1.119 -3.754 0.763 1.00 5.14 C ATOM 1031 CD2 PHE A 70 -0.758 -3.156 2.104 1.00 50.13 C ATOM 1032 CE1 PHE A 70 1.513 -2.430 0.727 1.00 64.44 C ATOM 1033 CE2 PHE A 70 -0.367 -1.835 2.078 1.00 24.31 C ATOM 1034 CZ PHE A 70 0.767 -1.470 1.390 1.00 32.43 C ATOM 0 H PHE A 70 0.762 -7.179 -0.093 1.00 71.02 H new ATOM 0 HA PHE A 70 1.417 -5.966 2.492 1.00 72.24 H new ATOM 0 HB2 PHE A 70 -0.864 -5.888 0.577 1.00 53.42 H new ATOM 0 HB3 PHE A 70 -1.242 -5.676 2.275 1.00 53.42 H new ATOM 0 HD1 PHE A 70 1.708 -4.501 0.251 1.00 5.14 H new ATOM 0 HD2 PHE A 70 -1.651 -3.435 2.644 1.00 50.13 H new ATOM 0 HE1 PHE A 70 2.401 -2.144 0.183 1.00 64.44 H new ATOM 0 HE2 PHE A 70 -0.949 -1.088 2.597 1.00 24.31 H new ATOM 0 HZ PHE A 70 1.075 -0.435 1.367 1.00 32.43 H new ATOM 1044 N PHE A 71 0.347 -8.871 2.219 1.00 1.11 N ATOM 1045 CA PHE A 71 -0.035 -10.087 2.863 1.00 54.44 C ATOM 1046 C PHE A 71 1.168 -10.992 2.922 1.00 23.25 C ATOM 1047 O PHE A 71 2.098 -10.860 2.115 1.00 62.21 O ATOM 1048 CB PHE A 71 -1.157 -10.804 2.088 1.00 42.32 C ATOM 1049 CG PHE A 71 -2.474 -10.078 2.037 1.00 12.12 C ATOM 1050 CD1 PHE A 71 -2.752 -9.187 1.016 1.00 4.43 C ATOM 1051 CD2 PHE A 71 -3.441 -10.306 3.001 1.00 53.41 C ATOM 1052 CE1 PHE A 71 -3.964 -8.537 0.957 1.00 61.15 C ATOM 1053 CE2 PHE A 71 -4.657 -9.655 2.949 1.00 74.23 C ATOM 1054 CZ PHE A 71 -4.920 -8.770 1.923 1.00 24.51 C ATOM 0 H PHE A 71 0.750 -9.009 1.292 1.00 1.11 H new ATOM 0 HA PHE A 71 -0.404 -9.853 3.862 1.00 54.44 H new ATOM 0 HB2 PHE A 71 -0.817 -10.976 1.067 1.00 42.32 H new ATOM 0 HB3 PHE A 71 -1.319 -11.783 2.539 1.00 42.32 H new ATOM 0 HD1 PHE A 71 -2.009 -8.999 0.255 1.00 4.43 H new ATOM 0 HD2 PHE A 71 -3.242 -11.001 3.803 1.00 53.41 H new ATOM 0 HE1 PHE A 71 -4.166 -7.844 0.154 1.00 61.15 H new ATOM 0 HE2 PHE A 71 -5.401 -9.838 3.710 1.00 74.23 H new ATOM 0 HZ PHE A 71 -5.872 -8.262 1.877 1.00 24.51 H new ATOM 1064 N THR A 72 1.166 -11.884 3.858 1.00 13.54 N ATOM 1065 CA THR A 72 2.196 -12.855 3.961 1.00 35.21 C ATOM 1066 C THR A 72 1.850 -13.987 3.008 1.00 33.30 C ATOM 1067 O THR A 72 0.686 -14.100 2.569 1.00 74.44 O ATOM 1068 CB THR A 72 2.286 -13.398 5.404 1.00 44.14 C ATOM 1069 OG1 THR A 72 1.004 -13.938 5.807 1.00 43.13 O ATOM 1070 CG2 THR A 72 2.699 -12.295 6.372 1.00 34.24 C ATOM 0 H THR A 72 0.444 -11.957 4.575 1.00 13.54 H new ATOM 0 HA THR A 72 3.159 -12.411 3.709 1.00 35.21 H new ATOM 0 HB THR A 72 3.040 -14.185 5.428 1.00 44.14 H new ATOM 0 HG1 THR A 72 1.067 -14.282 6.722 1.00 43.13 H new ATOM 0 HG21 THR A 72 2.756 -12.700 7.382 1.00 34.24 H new ATOM 0 HG22 THR A 72 3.674 -11.903 6.083 1.00 34.24 H new ATOM 0 HG23 THR A 72 1.963 -11.492 6.344 1.00 34.24 H new ATOM 1078 N ASN A 73 2.801 -14.849 2.711 1.00 63.11 N ATOM 1079 CA ASN A 73 2.534 -15.976 1.813 1.00 75.12 C ATOM 1080 C ASN A 73 1.560 -16.967 2.452 1.00 3.12 C ATOM 1081 O ASN A 73 0.952 -17.793 1.775 1.00 23.53 O ATOM 1082 CB ASN A 73 3.825 -16.657 1.286 1.00 1.23 C ATOM 1083 CG ASN A 73 4.715 -17.298 2.346 1.00 14.44 C ATOM 1084 OD1 ASN A 73 4.263 -17.815 3.363 1.00 0.42 O ATOM 1085 ND2 ASN A 73 5.994 -17.271 2.105 1.00 74.43 N ATOM 0 H ASN A 73 3.755 -14.801 3.068 1.00 63.11 H new ATOM 0 HA ASN A 73 2.050 -15.568 0.926 1.00 75.12 H new ATOM 0 HB2 ASN A 73 3.541 -17.423 0.565 1.00 1.23 H new ATOM 0 HB3 ASN A 73 4.412 -15.913 0.747 1.00 1.23 H new ATOM 0 HD21 ASN A 73 6.647 -17.686 2.770 1.00 74.43 H new ATOM 0 HD22 ASN A 73 6.343 -16.835 1.252 1.00 74.43 H new ATOM 1092 N SER A 74 1.397 -16.837 3.761 1.00 20.12 N ATOM 1093 CA SER A 74 0.499 -17.650 4.532 1.00 5.13 C ATOM 1094 C SER A 74 -0.963 -17.154 4.388 1.00 14.25 C ATOM 1095 O SER A 74 -1.894 -17.757 4.935 1.00 11.52 O ATOM 1096 CB SER A 74 0.950 -17.604 5.988 1.00 21.31 C ATOM 1097 OG SER A 74 2.337 -17.925 6.081 1.00 70.34 O ATOM 0 H SER A 74 1.901 -16.146 4.318 1.00 20.12 H new ATOM 0 HA SER A 74 0.523 -18.677 4.168 1.00 5.13 H new ATOM 0 HB2 SER A 74 0.770 -16.612 6.402 1.00 21.31 H new ATOM 0 HB3 SER A 74 0.365 -18.308 6.581 1.00 21.31 H new ATOM 0 HG SER A 74 2.618 -17.891 7.019 1.00 70.34 H new ATOM 1103 N GLY A 75 -1.149 -16.051 3.667 1.00 41.23 N ATOM 1104 CA GLY A 75 -2.482 -15.549 3.401 1.00 51.43 C ATOM 1105 C GLY A 75 -3.010 -14.683 4.515 1.00 23.13 C ATOM 1106 O GLY A 75 -4.221 -14.518 4.666 1.00 15.24 O ATOM 0 H GLY A 75 -0.395 -15.496 3.262 1.00 41.23 H new ATOM 0 HA2 GLY A 75 -2.472 -14.975 2.474 1.00 51.43 H new ATOM 0 HA3 GLY A 75 -3.159 -16.390 3.248 1.00 51.43 H new ATOM 1110 N GLN A 76 -2.116 -14.146 5.307 1.00 41.51 N ATOM 1111 CA GLN A 76 -2.503 -13.271 6.394 1.00 61.14 C ATOM 1112 C GLN A 76 -1.996 -11.881 6.155 1.00 74.14 C ATOM 1113 O GLN A 76 -1.089 -11.678 5.365 1.00 22.35 O ATOM 1114 CB GLN A 76 -1.936 -13.739 7.721 1.00 65.54 C ATOM 1115 CG GLN A 76 -2.468 -15.046 8.247 1.00 53.44 C ATOM 1116 CD GLN A 76 -1.895 -15.351 9.613 1.00 43.12 C ATOM 1117 OE1 GLN A 76 -1.568 -14.435 10.378 1.00 42.30 O ATOM 1118 NE2 GLN A 76 -1.769 -16.601 9.937 1.00 53.14 N ATOM 0 H GLN A 76 -1.111 -14.298 5.222 1.00 41.51 H new ATOM 0 HA GLN A 76 -3.592 -13.287 6.433 1.00 61.14 H new ATOM 0 HB2 GLN A 76 -0.854 -13.825 7.620 1.00 65.54 H new ATOM 0 HB3 GLN A 76 -2.126 -12.967 8.466 1.00 65.54 H new ATOM 0 HG2 GLN A 76 -3.556 -15.003 8.306 1.00 53.44 H new ATOM 0 HG3 GLN A 76 -2.217 -15.850 7.555 1.00 53.44 H new ATOM 0 HE21 GLN A 76 -2.049 -17.329 9.280 1.00 53.14 H new ATOM 0 HE22 GLN A 76 -1.390 -16.856 10.849 1.00 53.14 H new ATOM 1127 N VAL A 77 -2.572 -10.937 6.835 1.00 45.14 N ATOM 1128 CA VAL A 77 -2.086 -9.579 6.818 1.00 50.14 C ATOM 1129 C VAL A 77 -0.818 -9.518 7.667 1.00 71.34 C ATOM 1130 O VAL A 77 -0.741 -10.186 8.722 1.00 64.53 O ATOM 1131 CB VAL A 77 -3.172 -8.590 7.366 1.00 1.12 C ATOM 1132 CG1 VAL A 77 -2.600 -7.211 7.650 1.00 61.34 C ATOM 1133 CG2 VAL A 77 -4.297 -8.456 6.364 1.00 40.10 C ATOM 0 H VAL A 77 -3.395 -11.081 7.421 1.00 45.14 H new ATOM 0 HA VAL A 77 -1.864 -9.277 5.795 1.00 50.14 H new ATOM 0 HB VAL A 77 -3.542 -9.005 8.304 1.00 1.12 H new ATOM 0 HG11 VAL A 77 -3.389 -6.561 8.028 1.00 61.34 H new ATOM 0 HG12 VAL A 77 -1.809 -7.292 8.395 1.00 61.34 H new ATOM 0 HG13 VAL A 77 -2.192 -6.790 6.731 1.00 61.34 H new ATOM 0 HG21 VAL A 77 -5.048 -7.768 6.751 1.00 40.10 H new ATOM 0 HG22 VAL A 77 -3.903 -8.072 5.423 1.00 40.10 H new ATOM 0 HG23 VAL A 77 -4.752 -9.432 6.195 1.00 40.10 H new ATOM 1143 N VAL A 78 0.186 -8.795 7.191 1.00 21.53 N ATOM 1144 CA VAL A 78 1.418 -8.615 7.948 1.00 43.22 C ATOM 1145 C VAL A 78 1.071 -7.896 9.254 1.00 22.33 C ATOM 1146 O VAL A 78 0.395 -6.871 9.235 1.00 13.03 O ATOM 1147 CB VAL A 78 2.468 -7.783 7.153 1.00 74.23 C ATOM 1148 CG1 VAL A 78 3.780 -7.664 7.924 1.00 34.43 C ATOM 1149 CG2 VAL A 78 2.714 -8.391 5.773 1.00 65.21 C ATOM 0 H VAL A 78 0.172 -8.324 6.286 1.00 21.53 H new ATOM 0 HA VAL A 78 1.860 -9.592 8.144 1.00 43.22 H new ATOM 0 HB VAL A 78 2.061 -6.780 7.021 1.00 74.23 H new ATOM 0 HG11 VAL A 78 4.492 -7.078 7.343 1.00 34.43 H new ATOM 0 HG12 VAL A 78 3.598 -7.170 8.879 1.00 34.43 H new ATOM 0 HG13 VAL A 78 4.189 -8.659 8.102 1.00 34.43 H new ATOM 0 HG21 VAL A 78 3.451 -7.792 5.238 1.00 65.21 H new ATOM 0 HG22 VAL A 78 3.086 -9.409 5.885 1.00 65.21 H new ATOM 0 HG23 VAL A 78 1.781 -8.406 5.210 1.00 65.21 H new ATOM 1159 N LYS A 79 1.524 -8.433 10.373 1.00 70.14 N ATOM 1160 CA LYS A 79 1.165 -7.916 11.700 1.00 73.32 C ATOM 1161 C LYS A 79 1.537 -6.438 11.899 1.00 51.03 C ATOM 1162 O LYS A 79 0.899 -5.719 12.677 1.00 75.32 O ATOM 1163 CB LYS A 79 1.787 -8.767 12.804 1.00 71.21 C ATOM 1164 CG LYS A 79 3.283 -8.727 12.810 1.00 55.33 C ATOM 1165 CD LYS A 79 3.868 -9.546 13.946 1.00 70.12 C ATOM 1166 CE LYS A 79 5.381 -9.396 14.018 1.00 22.41 C ATOM 1167 NZ LYS A 79 5.788 -7.987 14.246 1.00 33.11 N ATOM 0 H LYS A 79 2.150 -9.238 10.397 1.00 70.14 H new ATOM 0 HA LYS A 79 0.079 -7.979 11.762 1.00 73.32 H new ATOM 0 HB2 LYS A 79 1.417 -8.423 13.770 1.00 71.21 H new ATOM 0 HB3 LYS A 79 1.458 -9.800 12.686 1.00 71.21 H new ATOM 0 HG2 LYS A 79 3.660 -9.104 11.859 1.00 55.33 H new ATOM 0 HG3 LYS A 79 3.618 -7.693 12.898 1.00 55.33 H new ATOM 0 HD2 LYS A 79 3.424 -9.230 14.890 1.00 70.12 H new ATOM 0 HD3 LYS A 79 3.611 -10.596 13.809 1.00 70.12 H new ATOM 0 HE2 LYS A 79 5.770 -10.021 14.822 1.00 22.41 H new ATOM 0 HE3 LYS A 79 5.826 -9.757 13.091 1.00 22.41 H new ATOM 0 HZ1 LYS A 79 6.794 -7.954 14.507 1.00 33.11 H new ATOM 0 HZ2 LYS A 79 5.638 -7.437 13.376 1.00 33.11 H new ATOM 0 HZ3 LYS A 79 5.218 -7.581 15.015 1.00 33.11 H new ATOM 1181 N SER A 80 2.532 -5.988 11.183 1.00 24.42 N ATOM 1182 CA SER A 80 3.018 -4.646 11.316 1.00 23.11 C ATOM 1183 C SER A 80 2.454 -3.724 10.213 1.00 33.54 C ATOM 1184 O SER A 80 2.836 -2.554 10.119 1.00 71.03 O ATOM 1185 CB SER A 80 4.541 -4.692 11.277 1.00 0.11 C ATOM 1186 OG SER A 80 5.026 -5.663 12.214 1.00 50.52 O ATOM 0 H SER A 80 3.029 -6.546 10.489 1.00 24.42 H new ATOM 0 HA SER A 80 2.682 -4.226 12.264 1.00 23.11 H new ATOM 0 HB2 SER A 80 4.880 -4.943 10.272 1.00 0.11 H new ATOM 0 HB3 SER A 80 4.949 -3.710 11.515 1.00 0.11 H new ATOM 0 HG SER A 80 6.005 -5.688 12.182 1.00 50.52 H new ATOM 1192 N LEU A 81 1.517 -4.244 9.411 1.00 43.24 N ATOM 1193 CA LEU A 81 0.924 -3.480 8.306 1.00 52.23 C ATOM 1194 C LEU A 81 0.187 -2.205 8.809 1.00 23.12 C ATOM 1195 O LEU A 81 0.524 -1.098 8.378 1.00 44.45 O ATOM 1196 CB LEU A 81 -0.022 -4.346 7.461 1.00 64.43 C ATOM 1197 CG LEU A 81 -0.458 -3.739 6.137 1.00 41.23 C ATOM 1198 CD1 LEU A 81 0.703 -3.719 5.176 1.00 11.42 C ATOM 1199 CD2 LEU A 81 -1.614 -4.504 5.550 1.00 63.21 C ATOM 0 H LEU A 81 1.153 -5.192 9.507 1.00 43.24 H new ATOM 0 HA LEU A 81 1.751 -3.161 7.672 1.00 52.23 H new ATOM 0 HB2 LEU A 81 0.468 -5.299 7.260 1.00 64.43 H new ATOM 0 HB3 LEU A 81 -0.912 -4.564 8.052 1.00 64.43 H new ATOM 0 HG LEU A 81 -0.789 -2.716 6.316 1.00 41.23 H new ATOM 0 HD11 LEU A 81 0.384 -3.283 4.229 1.00 11.42 H new ATOM 0 HD12 LEU A 81 1.513 -3.122 5.596 1.00 11.42 H new ATOM 0 HD13 LEU A 81 1.053 -4.737 5.007 1.00 11.42 H new ATOM 0 HD21 LEU A 81 -1.907 -4.050 4.603 1.00 63.21 H new ATOM 0 HD22 LEU A 81 -1.317 -5.539 5.380 1.00 63.21 H new ATOM 0 HD23 LEU A 81 -2.456 -4.478 6.241 1.00 63.21 H new ATOM 1211 N PRO A 82 -0.800 -2.316 9.769 1.00 55.23 N ATOM 1212 CA PRO A 82 -1.525 -1.139 10.274 1.00 65.44 C ATOM 1213 C PRO A 82 -0.588 -0.159 10.989 1.00 75.12 C ATOM 1214 O PRO A 82 -0.866 1.036 11.073 1.00 60.12 O ATOM 1215 CB PRO A 82 -2.550 -1.729 11.259 1.00 61.34 C ATOM 1216 CG PRO A 82 -1.996 -3.056 11.638 1.00 4.54 C ATOM 1217 CD PRO A 82 -1.293 -3.560 10.417 1.00 50.04 C ATOM 0 HA PRO A 82 -1.986 -0.566 9.470 1.00 65.44 H new ATOM 0 HB2 PRO A 82 -2.673 -1.088 12.132 1.00 61.34 H new ATOM 0 HB3 PRO A 82 -3.532 -1.828 10.796 1.00 61.34 H new ATOM 0 HG2 PRO A 82 -1.308 -2.968 12.479 1.00 4.54 H new ATOM 0 HG3 PRO A 82 -2.788 -3.739 11.945 1.00 4.54 H new ATOM 0 HD2 PRO A 82 -0.474 -4.232 10.673 1.00 50.04 H new ATOM 0 HD3 PRO A 82 -1.968 -4.114 9.764 1.00 50.04 H new ATOM 1225 N GLY A 83 0.550 -0.676 11.446 1.00 25.21 N ATOM 1226 CA GLY A 83 1.521 0.120 12.161 1.00 24.40 C ATOM 1227 C GLY A 83 2.153 1.175 11.283 1.00 34.11 C ATOM 1228 O GLY A 83 2.256 2.340 11.677 1.00 21.02 O ATOM 0 H GLY A 83 0.816 -1.654 11.328 1.00 25.21 H new ATOM 0 HA2 GLY A 83 1.039 0.600 13.012 1.00 24.40 H new ATOM 0 HA3 GLY A 83 2.299 -0.531 12.560 1.00 24.40 H new ATOM 1232 N LEU A 84 2.528 0.784 10.067 1.00 15.00 N ATOM 1233 CA LEU A 84 3.142 1.725 9.128 1.00 41.40 C ATOM 1234 C LEU A 84 2.105 2.759 8.727 1.00 51.43 C ATOM 1235 O LEU A 84 2.391 3.949 8.604 1.00 55.21 O ATOM 1236 CB LEU A 84 3.772 0.995 7.896 1.00 62.33 C ATOM 1237 CG LEU A 84 2.826 0.394 6.833 1.00 72.05 C ATOM 1238 CD1 LEU A 84 2.507 1.404 5.719 1.00 53.42 C ATOM 1239 CD2 LEU A 84 3.402 -0.886 6.256 1.00 62.33 C ATOM 0 H LEU A 84 2.420 -0.165 9.710 1.00 15.00 H new ATOM 0 HA LEU A 84 3.973 2.234 9.616 1.00 41.40 H new ATOM 0 HB2 LEU A 84 4.430 1.703 7.392 1.00 62.33 H new ATOM 0 HB3 LEU A 84 4.401 0.189 8.274 1.00 62.33 H new ATOM 0 HG LEU A 84 1.888 0.152 7.332 1.00 72.05 H new ATOM 0 HD11 LEU A 84 1.839 0.944 4.991 1.00 53.42 H new ATOM 0 HD12 LEU A 84 2.025 2.281 6.150 1.00 53.42 H new ATOM 0 HD13 LEU A 84 3.431 1.704 5.225 1.00 53.42 H new ATOM 0 HD21 LEU A 84 2.717 -1.289 5.510 1.00 62.33 H new ATOM 0 HD22 LEU A 84 4.364 -0.674 5.789 1.00 62.33 H new ATOM 0 HD23 LEU A 84 3.540 -1.615 7.054 1.00 62.33 H new ATOM 1251 N LEU A 85 0.892 2.281 8.550 1.00 42.31 N ATOM 1252 CA LEU A 85 -0.221 3.108 8.178 1.00 71.41 C ATOM 1253 C LEU A 85 -0.517 4.142 9.242 1.00 14.41 C ATOM 1254 O LEU A 85 -0.807 5.261 8.923 1.00 34.33 O ATOM 1255 CB LEU A 85 -1.452 2.251 7.911 1.00 40.30 C ATOM 1256 CG LEU A 85 -1.296 1.219 6.801 1.00 53.33 C ATOM 1257 CD1 LEU A 85 -2.560 0.402 6.645 1.00 51.24 C ATOM 1258 CD2 LEU A 85 -0.940 1.898 5.498 1.00 41.24 C ATOM 0 H LEU A 85 0.655 1.295 8.663 1.00 42.31 H new ATOM 0 HA LEU A 85 0.045 3.637 7.263 1.00 71.41 H new ATOM 0 HB2 LEU A 85 -1.721 1.733 8.832 1.00 40.30 H new ATOM 0 HB3 LEU A 85 -2.285 2.908 7.660 1.00 40.30 H new ATOM 0 HG LEU A 85 -0.486 0.543 7.074 1.00 53.33 H new ATOM 0 HD11 LEU A 85 -2.425 -0.328 5.847 1.00 51.24 H new ATOM 0 HD12 LEU A 85 -2.775 -0.117 7.579 1.00 51.24 H new ATOM 0 HD13 LEU A 85 -3.391 1.062 6.396 1.00 51.24 H new ATOM 0 HD21 LEU A 85 -0.832 1.148 4.715 1.00 41.24 H new ATOM 0 HD22 LEU A 85 -1.730 2.597 5.224 1.00 41.24 H new ATOM 0 HD23 LEU A 85 -0.001 2.439 5.614 1.00 41.24 H new ATOM 1270 N THR A 86 -0.365 3.773 10.498 1.00 60.43 N ATOM 1271 CA THR A 86 -0.687 4.683 11.609 1.00 73.32 C ATOM 1272 C THR A 86 0.126 6.003 11.512 1.00 51.50 C ATOM 1273 O THR A 86 -0.445 7.099 11.557 1.00 10.33 O ATOM 1274 CB THR A 86 -0.449 4.011 12.993 1.00 64.12 C ATOM 1275 OG1 THR A 86 -1.154 2.751 13.055 1.00 43.11 O ATOM 1276 CG2 THR A 86 -0.958 4.900 14.121 1.00 63.24 C ATOM 0 H THR A 86 -0.023 2.857 10.787 1.00 60.43 H new ATOM 0 HA THR A 86 -1.747 4.920 11.524 1.00 73.32 H new ATOM 0 HB THR A 86 0.623 3.853 13.109 1.00 64.12 H new ATOM 0 HG1 THR A 86 -0.690 2.089 12.501 1.00 43.11 H new ATOM 0 HG21 THR A 86 -0.781 4.410 15.078 1.00 63.24 H new ATOM 0 HG22 THR A 86 -0.431 5.854 14.099 1.00 63.24 H new ATOM 0 HG23 THR A 86 -2.027 5.073 13.994 1.00 63.24 H new ATOM 1284 N ILE A 87 1.435 5.888 11.319 1.00 24.13 N ATOM 1285 CA ILE A 87 2.288 7.066 11.210 1.00 74.24 C ATOM 1286 C ILE A 87 1.997 7.852 9.916 1.00 0.21 C ATOM 1287 O ILE A 87 1.860 9.076 9.936 1.00 23.54 O ATOM 1288 CB ILE A 87 3.829 6.704 11.418 1.00 44.45 C ATOM 1289 CG1 ILE A 87 4.810 7.910 11.229 1.00 22.14 C ATOM 1290 CG2 ILE A 87 4.265 5.507 10.580 1.00 40.32 C ATOM 1291 CD1 ILE A 87 5.135 8.296 9.782 1.00 41.03 C ATOM 0 H ILE A 87 1.926 4.998 11.235 1.00 24.13 H new ATOM 0 HA ILE A 87 2.041 7.743 12.028 1.00 74.24 H new ATOM 0 HB ILE A 87 3.898 6.426 12.470 1.00 44.45 H new ATOM 0 HG12 ILE A 87 4.384 8.780 11.728 1.00 22.14 H new ATOM 0 HG13 ILE A 87 5.744 7.675 11.739 1.00 22.14 H new ATOM 0 HG21 ILE A 87 5.321 5.303 10.759 1.00 40.32 H new ATOM 0 HG22 ILE A 87 3.675 4.634 10.858 1.00 40.32 H new ATOM 0 HG23 ILE A 87 4.112 5.727 9.524 1.00 40.32 H new ATOM 0 HD11 ILE A 87 5.822 9.142 9.777 1.00 41.03 H new ATOM 0 HD12 ILE A 87 5.598 7.449 9.275 1.00 41.03 H new ATOM 0 HD13 ILE A 87 4.216 8.571 9.264 1.00 41.03 H new ATOM 1303 N LEU A 88 1.853 7.142 8.820 1.00 62.04 N ATOM 1304 CA LEU A 88 1.613 7.759 7.523 1.00 33.45 C ATOM 1305 C LEU A 88 0.254 8.449 7.451 1.00 34.14 C ATOM 1306 O LEU A 88 0.128 9.541 6.897 1.00 64.10 O ATOM 1307 CB LEU A 88 1.762 6.723 6.440 1.00 30.34 C ATOM 1308 CG LEU A 88 3.170 6.163 6.260 1.00 24.12 C ATOM 1309 CD1 LEU A 88 3.128 4.960 5.367 1.00 50.52 C ATOM 1310 CD2 LEU A 88 4.082 7.242 5.673 1.00 54.53 C ATOM 0 H LEU A 88 1.898 6.123 8.796 1.00 62.04 H new ATOM 0 HA LEU A 88 2.357 8.542 7.375 1.00 33.45 H new ATOM 0 HB2 LEU A 88 1.085 5.896 6.656 1.00 30.34 H new ATOM 0 HB3 LEU A 88 1.440 7.161 5.495 1.00 30.34 H new ATOM 0 HG LEU A 88 3.569 5.860 7.228 1.00 24.12 H new ATOM 0 HD11 LEU A 88 4.136 4.564 5.242 1.00 50.52 H new ATOM 0 HD12 LEU A 88 2.491 4.197 5.815 1.00 50.52 H new ATOM 0 HD13 LEU A 88 2.726 5.243 4.394 1.00 50.52 H new ATOM 0 HD21 LEU A 88 5.087 6.839 5.546 1.00 54.53 H new ATOM 0 HD22 LEU A 88 3.693 7.560 4.706 1.00 54.53 H new ATOM 0 HD23 LEU A 88 4.117 8.096 6.349 1.00 54.53 H new ATOM 1322 N HIS A 89 -0.742 7.823 8.028 1.00 71.42 N ATOM 1323 CA HIS A 89 -2.090 8.366 8.071 1.00 73.42 C ATOM 1324 C HIS A 89 -2.140 9.590 8.959 1.00 54.22 C ATOM 1325 O HIS A 89 -2.825 10.558 8.649 1.00 60.45 O ATOM 1326 CB HIS A 89 -3.120 7.301 8.513 1.00 42.13 C ATOM 1327 CG HIS A 89 -3.460 6.282 7.445 1.00 30.04 C ATOM 1328 ND1 HIS A 89 -4.723 5.777 7.240 1.00 23.40 N ATOM 1329 CD2 HIS A 89 -2.670 5.672 6.517 1.00 30.33 C ATOM 1330 CE1 HIS A 89 -4.668 4.905 6.231 1.00 25.21 C ATOM 1331 NE2 HIS A 89 -3.443 4.805 5.755 1.00 63.42 N ATOM 0 H HIS A 89 -0.646 6.916 8.486 1.00 71.42 H new ATOM 0 HA HIS A 89 -2.363 8.670 7.060 1.00 73.42 H new ATOM 0 HB2 HIS A 89 -2.732 6.778 9.387 1.00 42.13 H new ATOM 0 HB3 HIS A 89 -4.036 7.805 8.823 1.00 42.13 H new ATOM 0 HD1 HIS A 89 -5.559 6.026 7.769 1.00 23.40 H new ATOM 0 HD2 HIS A 89 -1.610 5.837 6.393 1.00 30.33 H new ATOM 0 HE1 HIS A 89 -5.516 4.353 5.854 1.00 25.21 H new ATOM 1339 N ASP A 90 -1.358 9.576 10.037 1.00 4.23 N ATOM 1340 CA ASP A 90 -1.281 10.739 10.928 1.00 11.42 C ATOM 1341 C ASP A 90 -0.615 11.896 10.200 1.00 12.01 C ATOM 1342 O ASP A 90 -0.996 13.053 10.376 1.00 65.51 O ATOM 1343 CB ASP A 90 -0.487 10.412 12.206 1.00 44.43 C ATOM 1344 CG ASP A 90 -0.388 11.593 13.164 1.00 24.31 C ATOM 1345 OD1 ASP A 90 -1.292 11.759 14.018 1.00 72.44 O ATOM 1346 OD2 ASP A 90 0.601 12.372 13.095 1.00 43.24 O ATOM 0 H ASP A 90 -0.775 8.786 10.315 1.00 4.23 H new ATOM 0 HA ASP A 90 -2.296 11.014 11.216 1.00 11.42 H new ATOM 0 HB2 ASP A 90 -0.962 9.575 12.718 1.00 44.43 H new ATOM 0 HB3 ASP A 90 0.517 10.089 11.931 1.00 44.43 H new ATOM 1351 N GLY A 91 0.304 11.553 9.296 1.00 25.23 N ATOM 1352 CA GLY A 91 1.015 12.539 8.501 1.00 45.01 C ATOM 1353 C GLY A 91 0.239 12.974 7.273 1.00 22.43 C ATOM 1354 O GLY A 91 0.714 13.804 6.489 1.00 15.21 O ATOM 0 H GLY A 91 0.571 10.588 9.100 1.00 25.23 H new ATOM 0 HA2 GLY A 91 1.228 13.412 9.118 1.00 45.01 H new ATOM 0 HA3 GLY A 91 1.975 12.126 8.191 1.00 45.01 H new ATOM 1358 N GLY A 92 -0.936 12.400 7.093 1.00 4.45 N ATOM 1359 CA GLY A 92 -1.788 12.767 5.989 1.00 41.12 C ATOM 1360 C GLY A 92 -1.307 12.227 4.655 1.00 3.33 C ATOM 1361 O GLY A 92 -1.467 12.882 3.620 1.00 62.34 O ATOM 0 H GLY A 92 -1.319 11.676 7.702 1.00 4.45 H new ATOM 0 HA2 GLY A 92 -2.796 12.400 6.180 1.00 41.12 H new ATOM 0 HA3 GLY A 92 -1.850 13.854 5.932 1.00 41.12 H new ATOM 1365 N TYR A 93 -0.718 11.051 4.664 1.00 32.11 N ATOM 1366 CA TYR A 93 -0.228 10.448 3.443 1.00 23.32 C ATOM 1367 C TYR A 93 -1.232 9.498 2.830 1.00 14.32 C ATOM 1368 O TYR A 93 -1.708 8.565 3.476 1.00 54.24 O ATOM 1369 CB TYR A 93 1.129 9.771 3.641 1.00 4.45 C ATOM 1370 CG TYR A 93 2.251 10.754 3.849 1.00 31.14 C ATOM 1371 CD1 TYR A 93 2.706 11.525 2.791 1.00 34.20 C ATOM 1372 CD2 TYR A 93 2.843 10.931 5.089 1.00 43.34 C ATOM 1373 CE1 TYR A 93 3.716 12.435 2.951 1.00 61.30 C ATOM 1374 CE2 TYR A 93 3.860 11.849 5.260 1.00 13.53 C ATOM 1375 CZ TYR A 93 4.293 12.598 4.182 1.00 11.03 C ATOM 1376 OH TYR A 93 5.298 13.525 4.339 1.00 24.52 O ATOM 0 H TYR A 93 -0.567 10.493 5.504 1.00 32.11 H new ATOM 0 HA TYR A 93 -0.084 11.264 2.735 1.00 23.32 H new ATOM 0 HB2 TYR A 93 1.074 9.103 4.501 1.00 4.45 H new ATOM 0 HB3 TYR A 93 1.351 9.153 2.771 1.00 4.45 H new ATOM 0 HD1 TYR A 93 2.253 11.405 1.818 1.00 34.20 H new ATOM 0 HD2 TYR A 93 2.505 10.345 5.931 1.00 43.34 H new ATOM 0 HE1 TYR A 93 4.056 13.022 2.110 1.00 61.30 H new ATOM 0 HE2 TYR A 93 4.315 11.981 6.231 1.00 13.53 H new ATOM 0 HH TYR A 93 6.165 13.068 4.355 1.00 24.52 H new ATOM 1386 N ARG A 94 -1.560 9.770 1.593 1.00 72.53 N ATOM 1387 CA ARG A 94 -2.495 8.989 0.805 1.00 22.31 C ATOM 1388 C ARG A 94 -1.895 7.658 0.355 1.00 43.03 C ATOM 1389 O ARG A 94 -0.695 7.416 0.503 1.00 63.10 O ATOM 1390 CB ARG A 94 -3.009 9.756 -0.421 1.00 11.43 C ATOM 1391 CG ARG A 94 -1.974 10.017 -1.495 1.00 41.14 C ATOM 1392 CD ARG A 94 -2.622 10.574 -2.739 1.00 43.14 C ATOM 1393 NE ARG A 94 -3.619 9.649 -3.295 1.00 63.35 N ATOM 1394 CZ ARG A 94 -4.304 9.830 -4.418 1.00 52.43 C ATOM 1395 NH1 ARG A 94 -4.068 10.890 -5.196 1.00 43.54 N ATOM 1396 NH2 ARG A 94 -5.218 8.937 -4.762 1.00 21.22 N ATOM 0 H ARG A 94 -1.174 10.566 1.085 1.00 72.53 H new ATOM 0 HA ARG A 94 -3.338 8.789 1.466 1.00 22.31 H new ATOM 0 HB2 ARG A 94 -3.834 9.196 -0.861 1.00 11.43 H new ATOM 0 HB3 ARG A 94 -3.414 10.712 -0.089 1.00 11.43 H new ATOM 0 HG2 ARG A 94 -1.227 10.718 -1.124 1.00 41.14 H new ATOM 0 HG3 ARG A 94 -1.451 9.091 -1.735 1.00 41.14 H new ATOM 0 HD2 ARG A 94 -3.099 11.526 -2.505 1.00 43.14 H new ATOM 0 HD3 ARG A 94 -1.857 10.777 -3.488 1.00 43.14 H new ATOM 0 HE ARG A 94 -3.801 8.792 -2.772 1.00 63.35 H new ATOM 0 HH11 ARG A 94 -3.356 11.570 -4.929 1.00 43.54 H new ATOM 0 HH12 ARG A 94 -4.600 11.019 -6.057 1.00 43.54 H new ATOM 0 HH21 ARG A 94 -5.387 8.125 -4.168 1.00 21.22 H new ATOM 0 HH22 ARG A 94 -5.753 9.060 -5.621 1.00 21.22 H new ATOM 1410 N ASP A 95 -2.743 6.852 -0.253 1.00 43.02 N ATOM 1411 CA ASP A 95 -2.447 5.495 -0.750 1.00 45.20 C ATOM 1412 C ASP A 95 -1.217 5.495 -1.667 1.00 0.42 C ATOM 1413 O ASP A 95 -0.308 4.675 -1.507 1.00 44.23 O ATOM 1414 CB ASP A 95 -3.674 5.025 -1.589 1.00 24.31 C ATOM 1415 CG ASP A 95 -3.934 5.956 -2.790 1.00 11.12 C ATOM 1416 OD1 ASP A 95 -4.222 7.153 -2.552 1.00 54.44 O ATOM 1417 OD2 ASP A 95 -3.729 5.555 -3.956 1.00 51.04 O ATOM 0 H ASP A 95 -3.709 7.126 -0.429 1.00 43.02 H new ATOM 0 HA ASP A 95 -2.250 4.839 0.098 1.00 45.20 H new ATOM 0 HB2 ASP A 95 -3.503 4.009 -1.946 1.00 24.31 H new ATOM 0 HB3 ASP A 95 -4.559 4.995 -0.954 1.00 24.31 H new ATOM 1422 N THR A 96 -1.176 6.446 -2.561 1.00 1.54 N ATOM 1423 CA THR A 96 -0.131 6.598 -3.502 1.00 74.20 C ATOM 1424 C THR A 96 1.186 6.908 -2.781 1.00 13.30 C ATOM 1425 O THR A 96 2.231 6.364 -3.118 1.00 32.34 O ATOM 1426 CB THR A 96 -0.513 7.695 -4.518 1.00 40.33 C ATOM 1427 OG1 THR A 96 -1.784 7.353 -5.140 1.00 31.41 O ATOM 1428 CG2 THR A 96 0.548 7.838 -5.590 1.00 53.02 C ATOM 0 H THR A 96 -1.903 7.156 -2.646 1.00 1.54 H new ATOM 0 HA THR A 96 0.016 5.669 -4.052 1.00 74.20 H new ATOM 0 HB THR A 96 -0.596 8.643 -3.987 1.00 40.33 H new ATOM 0 HG1 THR A 96 -2.216 6.637 -4.629 1.00 31.41 H new ATOM 0 HG21 THR A 96 0.253 8.618 -6.292 1.00 53.02 H new ATOM 0 HG22 THR A 96 1.498 8.106 -5.128 1.00 53.02 H new ATOM 0 HG23 THR A 96 0.657 6.893 -6.122 1.00 53.02 H new ATOM 1436 N GLU A 97 1.105 7.750 -1.761 1.00 52.22 N ATOM 1437 CA GLU A 97 2.272 8.141 -0.992 1.00 63.35 C ATOM 1438 C GLU A 97 2.844 6.970 -0.208 1.00 42.43 C ATOM 1439 O GLU A 97 4.061 6.822 -0.121 1.00 3.54 O ATOM 1440 CB GLU A 97 1.967 9.312 -0.064 1.00 40.03 C ATOM 1441 CG GLU A 97 1.583 10.579 -0.794 1.00 3.35 C ATOM 1442 CD GLU A 97 2.646 11.028 -1.759 1.00 33.42 C ATOM 1443 OE1 GLU A 97 3.631 11.659 -1.334 1.00 74.32 O ATOM 1444 OE2 GLU A 97 2.501 10.775 -2.955 1.00 24.15 O ATOM 0 H GLU A 97 0.234 8.177 -1.447 1.00 52.22 H new ATOM 0 HA GLU A 97 3.027 8.468 -1.707 1.00 63.35 H new ATOM 0 HB2 GLU A 97 1.157 9.030 0.608 1.00 40.03 H new ATOM 0 HB3 GLU A 97 2.841 9.511 0.556 1.00 40.03 H new ATOM 0 HG2 GLU A 97 0.651 10.416 -1.335 1.00 3.35 H new ATOM 0 HG3 GLU A 97 1.396 11.371 -0.069 1.00 3.35 H new ATOM 1451 N ILE A 98 1.962 6.111 0.319 1.00 72.22 N ATOM 1452 CA ILE A 98 2.392 4.951 1.112 1.00 41.43 C ATOM 1453 C ILE A 98 3.259 4.063 0.223 1.00 12.25 C ATOM 1454 O ILE A 98 4.383 3.719 0.562 1.00 64.14 O ATOM 1455 CB ILE A 98 1.173 4.065 1.588 1.00 20.22 C ATOM 1456 CG1 ILE A 98 0.043 4.863 2.261 1.00 23.33 C ATOM 1457 CG2 ILE A 98 1.615 2.930 2.489 1.00 71.51 C ATOM 1458 CD1 ILE A 98 0.466 5.817 3.344 1.00 62.52 C ATOM 0 H ILE A 98 0.951 6.196 0.212 1.00 72.22 H new ATOM 0 HA ILE A 98 2.921 5.327 1.987 1.00 41.43 H new ATOM 0 HB ILE A 98 0.760 3.650 0.669 1.00 20.22 H new ATOM 0 HG12 ILE A 98 -0.484 5.428 1.492 1.00 23.33 H new ATOM 0 HG13 ILE A 98 -0.671 4.157 2.684 1.00 23.33 H new ATOM 0 HG21 ILE A 98 0.746 2.347 2.793 1.00 71.51 H new ATOM 0 HG22 ILE A 98 2.312 2.288 1.950 1.00 71.51 H new ATOM 0 HG23 ILE A 98 2.105 3.337 3.373 1.00 71.51 H new ATOM 0 HD11 ILE A 98 -0.412 6.323 3.746 1.00 62.52 H new ATOM 0 HD12 ILE A 98 0.963 5.265 4.141 1.00 62.52 H new ATOM 0 HD13 ILE A 98 1.153 6.555 2.931 1.00 62.52 H new ATOM 1470 N MET A 99 2.748 3.808 -0.964 1.00 31.20 N ATOM 1471 CA MET A 99 3.382 2.924 -1.931 1.00 20.53 C ATOM 1472 C MET A 99 4.598 3.588 -2.573 1.00 52.00 C ATOM 1473 O MET A 99 5.495 2.905 -3.064 1.00 51.41 O ATOM 1474 CB MET A 99 2.390 2.563 -3.036 1.00 41.14 C ATOM 1475 CG MET A 99 1.070 1.985 -2.563 1.00 23.12 C ATOM 1476 SD MET A 99 1.212 0.415 -1.704 1.00 40.10 S ATOM 1477 CE MET A 99 -0.520 0.052 -1.445 1.00 40.33 C ATOM 0 H MET A 99 1.871 4.212 -1.292 1.00 31.20 H new ATOM 0 HA MET A 99 3.702 2.028 -1.399 1.00 20.53 H new ATOM 0 HB2 MET A 99 2.185 3.458 -3.624 1.00 41.14 H new ATOM 0 HB3 MET A 99 2.863 1.844 -3.705 1.00 41.14 H new ATOM 0 HG2 MET A 99 0.589 2.705 -1.901 1.00 23.12 H new ATOM 0 HG3 MET A 99 0.415 1.856 -3.424 1.00 23.12 H new ATOM 0 HE1 MET A 99 -0.705 -0.101 -0.382 1.00 40.33 H new ATOM 0 HE2 MET A 99 -1.124 0.886 -1.802 1.00 40.33 H new ATOM 0 HE3 MET A 99 -0.789 -0.851 -1.994 1.00 40.33 H new ATOM 1487 N ARG A 100 4.621 4.922 -2.538 1.00 40.13 N ATOM 1488 CA ARG A 100 5.638 5.738 -3.203 1.00 21.12 C ATOM 1489 C ARG A 100 7.049 5.329 -2.787 1.00 51.44 C ATOM 1490 O ARG A 100 7.804 4.774 -3.587 1.00 24.41 O ATOM 1491 CB ARG A 100 5.363 7.219 -2.897 1.00 31.30 C ATOM 1492 CG ARG A 100 6.365 8.216 -3.429 1.00 30.12 C ATOM 1493 CD ARG A 100 5.968 9.626 -3.026 1.00 72.55 C ATOM 1494 NE ARG A 100 6.984 10.598 -3.398 1.00 64.21 N ATOM 1495 CZ ARG A 100 6.929 11.913 -3.177 1.00 2.41 C ATOM 1496 NH1 ARG A 100 5.861 12.473 -2.599 1.00 11.31 N ATOM 1497 NH2 ARG A 100 7.954 12.661 -3.541 1.00 1.01 N ATOM 0 H ARG A 100 3.923 5.474 -2.039 1.00 40.13 H new ATOM 0 HA ARG A 100 5.579 5.577 -4.280 1.00 21.12 H new ATOM 0 HB2 ARG A 100 4.382 7.474 -3.299 1.00 31.30 H new ATOM 0 HB3 ARG A 100 5.305 7.338 -1.815 1.00 31.30 H new ATOM 0 HG2 ARG A 100 7.358 7.986 -3.043 1.00 30.12 H new ATOM 0 HG3 ARG A 100 6.420 8.142 -4.515 1.00 30.12 H new ATOM 0 HD2 ARG A 100 5.023 9.888 -3.501 1.00 72.55 H new ATOM 0 HD3 ARG A 100 5.805 9.664 -1.949 1.00 72.55 H new ATOM 0 HE ARG A 100 7.815 10.242 -3.871 1.00 64.21 H new ATOM 0 HH11 ARG A 100 5.070 11.893 -2.319 1.00 11.31 H new ATOM 0 HH12 ARG A 100 5.837 13.480 -2.438 1.00 11.31 H new ATOM 0 HH21 ARG A 100 8.767 12.232 -3.982 1.00 1.01 H new ATOM 0 HH22 ARG A 100 7.933 13.668 -3.381 1.00 1.01 H new ATOM 1511 N TRP A 101 7.400 5.596 -1.557 1.00 13.42 N ATOM 1512 CA TRP A 101 8.703 5.214 -1.047 1.00 34.24 C ATOM 1513 C TRP A 101 8.834 3.695 -0.869 1.00 21.21 C ATOM 1514 O TRP A 101 9.908 3.130 -1.042 1.00 64.12 O ATOM 1515 CB TRP A 101 9.081 6.004 0.215 1.00 4.55 C ATOM 1516 CG TRP A 101 8.027 6.031 1.274 1.00 32.25 C ATOM 1517 CD1 TRP A 101 7.088 6.999 1.462 1.00 63.53 C ATOM 1518 CD2 TRP A 101 7.798 5.053 2.285 1.00 12.42 C ATOM 1519 NE1 TRP A 101 6.303 6.683 2.533 1.00 23.35 N ATOM 1520 CE2 TRP A 101 6.720 5.497 3.048 1.00 52.24 C ATOM 1521 CE3 TRP A 101 8.402 3.845 2.624 1.00 41.35 C ATOM 1522 CZ2 TRP A 101 6.236 4.788 4.112 1.00 32.33 C ATOM 1523 CZ3 TRP A 101 7.908 3.141 3.687 1.00 74.52 C ATOM 1524 CH2 TRP A 101 6.830 3.617 4.425 1.00 35.44 C ATOM 0 H TRP A 101 6.805 6.078 -0.883 1.00 13.42 H new ATOM 0 HA TRP A 101 9.437 5.488 -1.805 1.00 34.24 H new ATOM 0 HB2 TRP A 101 9.990 5.575 0.637 1.00 4.55 H new ATOM 0 HB3 TRP A 101 9.316 7.029 -0.071 1.00 4.55 H new ATOM 0 HD1 TRP A 101 6.980 7.885 0.854 1.00 63.53 H new ATOM 0 HE1 TRP A 101 5.530 7.245 2.889 1.00 23.35 H new ATOM 0 HE3 TRP A 101 9.243 3.472 2.059 1.00 41.35 H new ATOM 0 HZ2 TRP A 101 5.399 5.156 4.688 1.00 32.33 H new ATOM 0 HZ3 TRP A 101 8.363 2.200 3.958 1.00 74.52 H new ATOM 0 HH2 TRP A 101 6.462 3.041 5.261 1.00 35.44 H new ATOM 1535 N LEU A 102 7.714 3.052 -0.542 1.00 3.14 N ATOM 1536 CA LEU A 102 7.660 1.617 -0.275 1.00 34.13 C ATOM 1537 C LEU A 102 8.065 0.738 -1.446 1.00 51.53 C ATOM 1538 O LEU A 102 8.722 -0.277 -1.245 1.00 13.44 O ATOM 1539 CB LEU A 102 6.283 1.209 0.261 1.00 0.22 C ATOM 1540 CG LEU A 102 6.127 1.143 1.776 1.00 42.31 C ATOM 1541 CD1 LEU A 102 4.692 0.894 2.143 1.00 64.31 C ATOM 1542 CD2 LEU A 102 6.986 0.049 2.351 1.00 34.40 C ATOM 0 H LEU A 102 6.811 3.518 -0.454 1.00 3.14 H new ATOM 0 HA LEU A 102 8.415 1.442 0.492 1.00 34.13 H new ATOM 0 HB2 LEU A 102 5.546 1.912 -0.126 1.00 0.22 H new ATOM 0 HB3 LEU A 102 6.035 0.230 -0.149 1.00 0.22 H new ATOM 0 HG LEU A 102 6.445 2.100 2.190 1.00 42.31 H new ATOM 0 HD11 LEU A 102 4.596 0.849 3.228 1.00 64.31 H new ATOM 0 HD12 LEU A 102 4.072 1.703 1.757 1.00 64.31 H new ATOM 0 HD13 LEU A 102 4.365 -0.052 1.711 1.00 64.31 H new ATOM 0 HD21 LEU A 102 6.860 0.019 3.433 1.00 34.40 H new ATOM 0 HD22 LEU A 102 6.689 -0.909 1.924 1.00 34.40 H new ATOM 0 HD23 LEU A 102 8.032 0.244 2.113 1.00 34.40 H new ATOM 1554 N PHE A 103 7.670 1.091 -2.644 1.00 43.30 N ATOM 1555 CA PHE A 103 8.001 0.272 -3.803 1.00 2.21 C ATOM 1556 C PHE A 103 9.240 0.720 -4.521 1.00 62.44 C ATOM 1557 O PHE A 103 9.770 -0.009 -5.367 1.00 21.40 O ATOM 1558 CB PHE A 103 6.849 0.165 -4.768 1.00 54.35 C ATOM 1559 CG PHE A 103 5.783 -0.774 -4.330 1.00 31.24 C ATOM 1560 CD1 PHE A 103 4.784 -0.367 -3.470 1.00 44.42 C ATOM 1561 CD2 PHE A 103 5.771 -2.070 -4.801 1.00 51.32 C ATOM 1562 CE1 PHE A 103 3.793 -1.239 -3.090 1.00 32.53 C ATOM 1563 CE2 PHE A 103 4.779 -2.941 -4.432 1.00 23.23 C ATOM 1564 CZ PHE A 103 3.787 -2.527 -3.578 1.00 14.42 C ATOM 0 H PHE A 103 7.125 1.928 -2.850 1.00 43.30 H new ATOM 0 HA PHE A 103 8.209 -0.718 -3.397 1.00 2.21 H new ATOM 0 HB2 PHE A 103 6.413 1.154 -4.910 1.00 54.35 H new ATOM 0 HB3 PHE A 103 7.228 -0.158 -5.737 1.00 54.35 H new ATOM 0 HD1 PHE A 103 4.781 0.645 -3.093 1.00 44.42 H new ATOM 0 HD2 PHE A 103 6.552 -2.403 -5.468 1.00 51.32 H new ATOM 0 HE1 PHE A 103 3.020 -0.915 -2.409 1.00 32.53 H new ATOM 0 HE2 PHE A 103 4.778 -3.952 -4.813 1.00 23.23 H new ATOM 0 HZ PHE A 103 3.003 -3.211 -3.289 1.00 14.42 H new ATOM 1574 N THR A 104 9.714 1.873 -4.201 1.00 51.03 N ATOM 1575 CA THR A 104 10.896 2.370 -4.828 1.00 21.44 C ATOM 1576 C THR A 104 12.118 1.782 -4.112 1.00 12.50 C ATOM 1577 O THR A 104 12.164 1.782 -2.879 1.00 1.05 O ATOM 1578 CB THR A 104 10.902 3.911 -4.793 1.00 62.40 C ATOM 1579 OG1 THR A 104 9.689 4.376 -5.422 1.00 53.43 O ATOM 1580 CG2 THR A 104 12.099 4.484 -5.545 1.00 13.32 C ATOM 0 H THR A 104 9.302 2.495 -3.506 1.00 51.03 H new ATOM 0 HA THR A 104 10.927 2.068 -5.875 1.00 21.44 H new ATOM 0 HB THR A 104 10.967 4.240 -3.756 1.00 62.40 H new ATOM 0 HG1 THR A 104 9.050 4.654 -4.734 1.00 53.43 H new ATOM 0 HG21 THR A 104 12.070 5.573 -5.499 1.00 13.32 H new ATOM 0 HG22 THR A 104 13.021 4.126 -5.088 1.00 13.32 H new ATOM 0 HG23 THR A 104 12.062 4.164 -6.586 1.00 13.32 H new ATOM 1588 N PRO A 105 13.085 1.196 -4.867 1.00 40.21 N ATOM 1589 CA PRO A 105 14.292 0.630 -4.275 1.00 24.24 C ATOM 1590 C PRO A 105 15.039 1.704 -3.522 1.00 53.02 C ATOM 1591 O PRO A 105 15.294 2.797 -4.061 1.00 54.34 O ATOM 1592 CB PRO A 105 15.116 0.173 -5.488 1.00 50.55 C ATOM 1593 CG PRO A 105 14.125 0.013 -6.582 1.00 61.32 C ATOM 1594 CD PRO A 105 13.078 1.055 -6.334 1.00 61.54 C ATOM 0 HA PRO A 105 14.087 -0.178 -3.573 1.00 24.24 H new ATOM 0 HB2 PRO A 105 15.877 0.908 -5.749 1.00 50.55 H new ATOM 0 HB3 PRO A 105 15.634 -0.764 -5.284 1.00 50.55 H new ATOM 0 HG2 PRO A 105 14.592 0.151 -7.557 1.00 61.32 H new ATOM 0 HG3 PRO A 105 13.692 -0.987 -6.575 1.00 61.32 H new ATOM 0 HD2 PRO A 105 13.320 1.995 -6.830 1.00 61.54 H new ATOM 0 HD3 PRO A 105 12.102 0.741 -6.704 1.00 61.54 H new ATOM 1602 N ASP A 106 15.374 1.423 -2.301 1.00 72.10 N ATOM 1603 CA ASP A 106 16.028 2.401 -1.479 1.00 72.43 C ATOM 1604 C ASP A 106 17.519 2.170 -1.548 1.00 71.22 C ATOM 1605 O ASP A 106 17.996 1.093 -1.177 1.00 25.44 O ATOM 1606 CB ASP A 106 15.550 2.295 -0.039 1.00 51.15 C ATOM 1607 CG ASP A 106 15.899 3.504 0.785 1.00 31.52 C ATOM 1608 OD1 ASP A 106 17.054 3.646 1.243 1.00 50.33 O ATOM 1609 OD2 ASP A 106 15.003 4.336 1.018 1.00 73.50 O ATOM 0 H ASP A 106 15.206 0.524 -1.848 1.00 72.10 H new ATOM 0 HA ASP A 106 15.788 3.400 -1.842 1.00 72.43 H new ATOM 0 HB2 ASP A 106 14.469 2.155 -0.030 1.00 51.15 H new ATOM 0 HB3 ASP A 106 15.990 1.410 0.420 1.00 51.15 H new ATOM 1614 N PRO A 107 18.284 3.156 -2.046 1.00 23.44 N ATOM 1615 CA PRO A 107 19.740 3.032 -2.214 1.00 64.50 C ATOM 1616 C PRO A 107 20.493 2.792 -0.900 1.00 13.44 C ATOM 1617 O PRO A 107 21.625 2.283 -0.898 1.00 30.31 O ATOM 1618 CB PRO A 107 20.161 4.364 -2.847 1.00 30.35 C ATOM 1619 CG PRO A 107 19.048 5.307 -2.545 1.00 54.45 C ATOM 1620 CD PRO A 107 17.797 4.481 -2.488 1.00 11.51 C ATOM 0 HA PRO A 107 19.985 2.162 -2.824 1.00 64.50 H new ATOM 0 HB2 PRO A 107 21.103 4.719 -2.428 1.00 30.35 H new ATOM 0 HB3 PRO A 107 20.309 4.260 -3.922 1.00 30.35 H new ATOM 0 HG2 PRO A 107 19.219 5.819 -1.598 1.00 54.45 H new ATOM 0 HG3 PRO A 107 18.971 6.076 -3.314 1.00 54.45 H new ATOM 0 HD2 PRO A 107 17.072 4.897 -1.788 1.00 11.51 H new ATOM 0 HD3 PRO A 107 17.307 4.426 -3.460 1.00 11.51 H new ATOM 1628 N SER A 108 19.866 3.128 0.204 1.00 65.33 N ATOM 1629 CA SER A 108 20.481 2.993 1.492 1.00 31.23 C ATOM 1630 C SER A 108 19.968 1.738 2.197 1.00 31.33 C ATOM 1631 O SER A 108 20.310 1.481 3.358 1.00 62.12 O ATOM 1632 CB SER A 108 20.157 4.228 2.323 1.00 73.43 C ATOM 1633 OG SER A 108 20.451 5.414 1.588 1.00 0.00 O ATOM 0 H SER A 108 18.917 3.501 0.228 1.00 65.33 H new ATOM 0 HA SER A 108 21.560 2.901 1.372 1.00 31.23 H new ATOM 0 HB2 SER A 108 19.104 4.219 2.604 1.00 73.43 H new ATOM 0 HB3 SER A 108 20.734 4.213 3.248 1.00 73.43 H new ATOM 0 HG SER A 108 20.236 6.199 2.134 1.00 0.00 H new ATOM 1639 N LEU A 109 19.159 0.959 1.505 1.00 61.23 N ATOM 1640 CA LEU A 109 18.596 -0.218 2.096 1.00 74.11 C ATOM 1641 C LEU A 109 19.230 -1.469 1.531 1.00 22.12 C ATOM 1642 O LEU A 109 19.246 -1.700 0.319 1.00 3.13 O ATOM 1643 CB LEU A 109 17.090 -0.270 1.894 1.00 61.52 C ATOM 1644 CG LEU A 109 16.369 -1.410 2.603 1.00 11.53 C ATOM 1645 CD1 LEU A 109 16.435 -1.232 4.111 1.00 4.11 C ATOM 1646 CD2 LEU A 109 14.942 -1.511 2.134 1.00 72.33 C ATOM 0 H LEU A 109 18.884 1.127 0.537 1.00 61.23 H new ATOM 0 HA LEU A 109 18.803 -0.172 3.165 1.00 74.11 H new ATOM 0 HB2 LEU A 109 16.663 0.673 2.234 1.00 61.52 H new ATOM 0 HB3 LEU A 109 16.887 -0.345 0.826 1.00 61.52 H new ATOM 0 HG LEU A 109 16.873 -2.343 2.351 1.00 11.53 H new ATOM 0 HD11 LEU A 109 15.914 -2.057 4.598 1.00 4.11 H new ATOM 0 HD12 LEU A 109 17.477 -1.222 4.431 1.00 4.11 H new ATOM 0 HD13 LEU A 109 15.961 -0.290 4.387 1.00 4.11 H new ATOM 0 HD21 LEU A 109 14.446 -2.331 2.653 1.00 72.33 H new ATOM 0 HD22 LEU A 109 14.421 -0.578 2.349 1.00 72.33 H new ATOM 0 HD23 LEU A 109 14.924 -1.697 1.060 1.00 72.33 H new ATOM 1658 N THR A 110 19.761 -2.248 2.405 1.00 74.11 N ATOM 1659 CA THR A 110 20.333 -3.512 2.080 1.00 62.34 C ATOM 1660 C THR A 110 19.761 -4.521 3.063 1.00 71.12 C ATOM 1661 O THR A 110 19.994 -4.426 4.272 1.00 71.21 O ATOM 1662 CB THR A 110 21.869 -3.447 2.167 1.00 11.13 C ATOM 1663 OG1 THR A 110 22.327 -2.372 1.322 1.00 63.11 O ATOM 1664 CG2 THR A 110 22.502 -4.751 1.703 1.00 24.44 C ATOM 0 H THR A 110 19.812 -2.019 3.398 1.00 74.11 H new ATOM 0 HA THR A 110 20.092 -3.804 1.058 1.00 62.34 H new ATOM 0 HB THR A 110 22.158 -3.279 3.204 1.00 11.13 H new ATOM 0 HG1 THR A 110 23.304 -2.315 1.366 1.00 63.11 H new ATOM 0 HG21 THR A 110 23.587 -4.675 1.776 1.00 24.44 H new ATOM 0 HG22 THR A 110 22.153 -5.569 2.333 1.00 24.44 H new ATOM 0 HG23 THR A 110 22.220 -4.944 0.668 1.00 24.44 H new ATOM 1672 N ILE A 111 18.974 -5.429 2.563 1.00 23.25 N ATOM 1673 CA ILE A 111 18.232 -6.355 3.402 1.00 55.11 C ATOM 1674 C ILE A 111 18.389 -7.779 2.958 1.00 31.42 C ATOM 1675 O ILE A 111 18.840 -8.048 1.860 1.00 41.45 O ATOM 1676 CB ILE A 111 16.721 -6.031 3.416 1.00 72.42 C ATOM 1677 CG1 ILE A 111 16.199 -5.840 1.971 1.00 11.51 C ATOM 1678 CG2 ILE A 111 16.421 -4.838 4.308 1.00 53.33 C ATOM 1679 CD1 ILE A 111 14.711 -5.614 1.861 1.00 54.14 C ATOM 0 H ILE A 111 18.821 -5.557 1.563 1.00 23.25 H new ATOM 0 HA ILE A 111 18.651 -6.236 4.401 1.00 55.11 H new ATOM 0 HB ILE A 111 16.185 -6.877 3.846 1.00 72.42 H new ATOM 0 HG12 ILE A 111 16.715 -4.991 1.522 1.00 11.51 H new ATOM 0 HG13 ILE A 111 16.463 -6.720 1.385 1.00 11.51 H new ATOM 0 HG21 ILE A 111 15.350 -4.635 4.297 1.00 53.33 H new ATOM 0 HG22 ILE A 111 16.738 -5.057 5.328 1.00 53.33 H new ATOM 0 HG23 ILE A 111 16.959 -3.964 3.941 1.00 53.33 H new ATOM 0 HD11 ILE A 111 14.438 -5.491 0.813 1.00 54.14 H new ATOM 0 HD12 ILE A 111 14.181 -6.472 2.276 1.00 54.14 H new ATOM 0 HD13 ILE A 111 14.437 -4.716 2.415 1.00 54.14 H new ATOM 1805 N VAL A 120 20.397 -8.204 -0.301 1.00 3.51 N ATOM 1806 CA VAL A 120 19.948 -7.544 -1.498 1.00 31.21 C ATOM 1807 C VAL A 120 20.077 -6.041 -1.295 1.00 42.24 C ATOM 1808 O VAL A 120 19.502 -5.483 -0.346 1.00 63.50 O ATOM 1809 CB VAL A 120 18.459 -7.888 -1.814 1.00 22.21 C ATOM 1810 CG1 VAL A 120 18.015 -7.257 -3.133 1.00 61.51 C ATOM 1811 CG2 VAL A 120 18.234 -9.397 -1.836 1.00 12.03 C ATOM 0 HA VAL A 120 20.559 -7.882 -2.335 1.00 31.21 H new ATOM 0 HB VAL A 120 17.848 -7.467 -1.015 1.00 22.21 H new ATOM 0 HG11 VAL A 120 16.974 -7.514 -3.327 1.00 61.51 H new ATOM 0 HG12 VAL A 120 18.116 -6.173 -3.070 1.00 61.51 H new ATOM 0 HG13 VAL A 120 18.638 -7.633 -3.944 1.00 61.51 H new ATOM 0 HG21 VAL A 120 17.188 -9.606 -2.059 1.00 12.03 H new ATOM 0 HG22 VAL A 120 18.865 -9.848 -2.602 1.00 12.03 H new ATOM 0 HG23 VAL A 120 18.489 -9.817 -0.863 1.00 12.03 H new ATOM 1821 N SER A 121 20.864 -5.411 -2.123 1.00 25.15 N ATOM 1822 CA SER A 121 21.036 -3.977 -2.076 1.00 72.12 C ATOM 1823 C SER A 121 19.995 -3.333 -2.989 1.00 43.34 C ATOM 1824 O SER A 121 19.566 -3.970 -3.961 1.00 22.04 O ATOM 1825 CB SER A 121 22.448 -3.632 -2.536 1.00 15.51 C ATOM 1826 OG SER A 121 23.401 -4.382 -1.790 1.00 70.11 O ATOM 0 H SER A 121 21.407 -5.874 -2.852 1.00 25.15 H new ATOM 0 HA SER A 121 20.899 -3.602 -1.062 1.00 72.12 H new ATOM 0 HB2 SER A 121 22.556 -3.847 -3.599 1.00 15.51 H new ATOM 0 HB3 SER A 121 22.631 -2.565 -2.407 1.00 15.51 H new ATOM 0 HG SER A 121 24.305 -4.156 -2.093 1.00 70.11 H new ATOM 1832 N ASN A 122 19.589 -2.105 -2.677 1.00 55.42 N ATOM 1833 CA ASN A 122 18.570 -1.375 -3.440 1.00 51.01 C ATOM 1834 C ASN A 122 17.291 -2.175 -3.571 1.00 22.31 C ATOM 1835 O ASN A 122 16.908 -2.605 -4.669 1.00 31.32 O ATOM 1836 CB ASN A 122 19.055 -0.913 -4.831 1.00 64.01 C ATOM 1837 CG ASN A 122 20.112 0.165 -4.785 1.00 40.40 C ATOM 1838 OD1 ASN A 122 19.791 1.351 -4.745 1.00 62.31 O ATOM 1839 ND2 ASN A 122 21.361 -0.217 -4.857 1.00 41.14 N ATOM 0 H ASN A 122 19.958 -1.582 -1.883 1.00 55.42 H new ATOM 0 HA ASN A 122 18.367 -0.474 -2.860 1.00 51.01 H new ATOM 0 HB2 ASN A 122 19.451 -1.773 -5.371 1.00 64.01 H new ATOM 0 HB3 ASN A 122 18.200 -0.546 -5.399 1.00 64.01 H new ATOM 0 HD21 ASN A 122 22.106 0.479 -4.882 1.00 41.14 H new ATOM 0 HD22 ASN A 122 21.589 -1.211 -4.888 1.00 41.14 H new ATOM 1846 N ALA A 123 16.667 -2.434 -2.461 1.00 42.13 N ATOM 1847 CA ALA A 123 15.435 -3.166 -2.464 1.00 40.31 C ATOM 1848 C ALA A 123 14.323 -2.269 -1.987 1.00 43.15 C ATOM 1849 O ALA A 123 14.587 -1.251 -1.329 1.00 20.53 O ATOM 1850 CB ALA A 123 15.548 -4.397 -1.584 1.00 35.42 C ATOM 0 H ALA A 123 16.992 -2.148 -1.538 1.00 42.13 H new ATOM 0 HA ALA A 123 15.214 -3.499 -3.478 1.00 40.31 H new ATOM 0 HB1 ALA A 123 14.604 -4.942 -1.597 1.00 35.42 H new ATOM 0 HB2 ALA A 123 16.344 -5.041 -1.959 1.00 35.42 H new ATOM 0 HB3 ALA A 123 15.778 -4.094 -0.562 1.00 35.42 H new ATOM 1856 N ARG A 124 13.101 -2.584 -2.363 1.00 35.53 N ATOM 1857 CA ARG A 124 11.971 -1.828 -1.878 1.00 62.32 C ATOM 1858 C ARG A 124 11.715 -2.160 -0.403 1.00 51.31 C ATOM 1859 O ARG A 124 11.766 -3.334 -0.015 1.00 43.31 O ATOM 1860 CB ARG A 124 10.680 -2.067 -2.697 1.00 1.44 C ATOM 1861 CG ARG A 124 10.087 -3.482 -2.649 1.00 12.33 C ATOM 1862 CD ARG A 124 10.588 -4.351 -3.779 1.00 74.45 C ATOM 1863 NE ARG A 124 10.206 -3.771 -5.071 1.00 70.55 N ATOM 1864 CZ ARG A 124 9.582 -4.418 -6.060 1.00 73.20 C ATOM 1865 NH1 ARG A 124 9.402 -5.746 -6.018 1.00 32.42 N ATOM 1866 NH2 ARG A 124 9.167 -3.740 -7.111 1.00 21.40 N ATOM 0 H ARG A 124 12.869 -3.350 -2.996 1.00 35.53 H new ATOM 0 HA ARG A 124 12.228 -0.775 -1.992 1.00 62.32 H new ATOM 0 HB2 ARG A 124 9.921 -1.367 -2.348 1.00 1.44 H new ATOM 0 HB3 ARG A 124 10.886 -1.819 -3.738 1.00 1.44 H new ATOM 0 HG2 ARG A 124 10.339 -3.947 -1.696 1.00 12.33 H new ATOM 0 HG3 ARG A 124 9.000 -3.420 -2.696 1.00 12.33 H new ATOM 0 HD2 ARG A 124 11.672 -4.446 -3.721 1.00 74.45 H new ATOM 0 HD3 ARG A 124 10.174 -5.355 -3.686 1.00 74.45 H new ATOM 0 HE ARG A 124 10.436 -2.790 -5.228 1.00 70.55 H new ATOM 0 HH11 ARG A 124 9.744 -6.282 -5.220 1.00 32.42 H new ATOM 0 HH12 ARG A 124 8.923 -6.220 -6.784 1.00 32.42 H new ATOM 0 HH21 ARG A 124 9.323 -2.733 -7.163 1.00 21.40 H new ATOM 0 HH22 ARG A 124 8.689 -4.222 -7.873 1.00 21.40 H new ATOM 1880 N PRO A 125 11.457 -1.151 0.443 1.00 24.32 N ATOM 1881 CA PRO A 125 11.185 -1.356 1.870 1.00 3.30 C ATOM 1882 C PRO A 125 10.006 -2.323 2.168 1.00 44.44 C ATOM 1883 O PRO A 125 9.943 -2.894 3.254 1.00 53.44 O ATOM 1884 CB PRO A 125 10.903 0.054 2.404 1.00 10.33 C ATOM 1885 CG PRO A 125 11.567 0.968 1.435 1.00 43.41 C ATOM 1886 CD PRO A 125 11.478 0.292 0.097 1.00 62.00 C ATOM 0 HA PRO A 125 12.031 -1.844 2.354 1.00 3.30 H new ATOM 0 HB2 PRO A 125 9.832 0.248 2.461 1.00 10.33 H new ATOM 0 HB3 PRO A 125 11.304 0.184 3.409 1.00 10.33 H new ATOM 0 HG2 PRO A 125 11.073 1.940 1.414 1.00 43.41 H new ATOM 0 HG3 PRO A 125 12.606 1.144 1.714 1.00 43.41 H new ATOM 0 HD2 PRO A 125 10.580 0.589 -0.444 1.00 62.00 H new ATOM 0 HD3 PRO A 125 12.329 0.541 -0.537 1.00 62.00 H new ATOM 1894 N VAL A 126 9.089 -2.534 1.200 1.00 14.35 N ATOM 1895 CA VAL A 126 7.971 -3.495 1.416 1.00 62.33 C ATOM 1896 C VAL A 126 8.539 -4.898 1.649 1.00 34.42 C ATOM 1897 O VAL A 126 8.062 -5.663 2.491 1.00 42.13 O ATOM 1898 CB VAL A 126 6.990 -3.614 0.212 1.00 54.23 C ATOM 1899 CG1 VAL A 126 5.801 -4.461 0.610 1.00 14.13 C ATOM 1900 CG2 VAL A 126 6.508 -2.283 -0.290 1.00 33.21 C ATOM 0 H VAL A 126 9.092 -2.073 0.290 1.00 14.35 H new ATOM 0 HA VAL A 126 7.421 -3.106 2.273 1.00 62.33 H new ATOM 0 HB VAL A 126 7.543 -4.081 -0.602 1.00 54.23 H new ATOM 0 HG11 VAL A 126 5.115 -4.544 -0.233 1.00 14.13 H new ATOM 0 HG12 VAL A 126 6.143 -5.455 0.899 1.00 14.13 H new ATOM 0 HG13 VAL A 126 5.288 -3.995 1.451 1.00 14.13 H new ATOM 0 HG21 VAL A 126 5.828 -2.435 -1.129 1.00 33.21 H new ATOM 0 HG22 VAL A 126 5.985 -1.760 0.511 1.00 33.21 H new ATOM 0 HG23 VAL A 126 7.360 -1.687 -0.617 1.00 33.21 H new ATOM 1910 N ASP A 127 9.604 -5.185 0.938 1.00 42.24 N ATOM 1911 CA ASP A 127 10.236 -6.498 0.949 1.00 30.23 C ATOM 1912 C ASP A 127 10.823 -6.763 2.339 1.00 24.25 C ATOM 1913 O ASP A 127 10.822 -7.894 2.845 1.00 20.14 O ATOM 1914 CB ASP A 127 11.327 -6.510 -0.119 1.00 43.13 C ATOM 1915 CG ASP A 127 11.824 -7.879 -0.475 1.00 71.30 C ATOM 1916 OD1 ASP A 127 11.160 -8.555 -1.303 1.00 55.21 O ATOM 1917 OD2 ASP A 127 12.910 -8.263 -0.039 1.00 65.23 O ATOM 0 H ASP A 127 10.066 -4.512 0.327 1.00 42.24 H new ATOM 0 HA ASP A 127 9.512 -7.283 0.731 1.00 30.23 H new ATOM 0 HB2 ASP A 127 10.944 -6.029 -1.019 1.00 43.13 H new ATOM 0 HB3 ASP A 127 12.168 -5.910 0.230 1.00 43.13 H new ATOM 1922 N ALA A 128 11.251 -5.680 2.975 1.00 40.04 N ATOM 1923 CA ALA A 128 11.807 -5.711 4.308 1.00 52.30 C ATOM 1924 C ALA A 128 10.739 -6.029 5.352 1.00 11.44 C ATOM 1925 O ALA A 128 10.961 -6.848 6.236 1.00 15.12 O ATOM 1926 CB ALA A 128 12.489 -4.387 4.636 1.00 0.14 C ATOM 0 H ALA A 128 11.218 -4.745 2.568 1.00 40.04 H new ATOM 0 HA ALA A 128 12.551 -6.507 4.336 1.00 52.30 H new ATOM 0 HB1 ALA A 128 12.901 -4.430 5.644 1.00 0.14 H new ATOM 0 HB2 ALA A 128 13.293 -4.205 3.923 1.00 0.14 H new ATOM 0 HB3 ALA A 128 11.761 -3.578 4.576 1.00 0.14 H new ATOM 1932 N LEU A 129 9.566 -5.403 5.238 1.00 60.41 N ATOM 1933 CA LEU A 129 8.495 -5.595 6.228 1.00 11.41 C ATOM 1934 C LEU A 129 7.926 -7.002 6.162 1.00 21.34 C ATOM 1935 O LEU A 129 7.566 -7.573 7.187 1.00 62.35 O ATOM 1936 CB LEU A 129 7.397 -4.508 6.102 1.00 53.42 C ATOM 1937 CG LEU A 129 6.550 -4.507 4.829 1.00 23.24 C ATOM 1938 CD1 LEU A 129 5.360 -5.454 4.947 1.00 4.25 C ATOM 1939 CD2 LEU A 129 6.108 -3.106 4.464 1.00 72.23 C ATOM 0 H LEU A 129 9.331 -4.764 4.479 1.00 60.41 H new ATOM 0 HA LEU A 129 8.935 -5.478 7.218 1.00 11.41 H new ATOM 0 HB2 LEU A 129 6.724 -4.608 6.954 1.00 53.42 H new ATOM 0 HB3 LEU A 129 7.877 -3.533 6.188 1.00 53.42 H new ATOM 0 HG LEU A 129 7.178 -4.876 4.018 1.00 23.24 H new ATOM 0 HD11 LEU A 129 4.781 -5.427 4.024 1.00 4.25 H new ATOM 0 HD12 LEU A 129 5.718 -6.469 5.121 1.00 4.25 H new ATOM 0 HD13 LEU A 129 4.729 -5.144 5.780 1.00 4.25 H new ATOM 0 HD21 LEU A 129 5.508 -3.139 3.555 1.00 72.23 H new ATOM 0 HD22 LEU A 129 5.513 -2.689 5.276 1.00 72.23 H new ATOM 0 HD23 LEU A 129 6.984 -2.480 4.298 1.00 72.23 H new ATOM 1951 N HIS A 130 7.903 -7.573 4.950 1.00 3.54 N ATOM 1952 CA HIS A 130 7.422 -8.946 4.726 1.00 11.13 C ATOM 1953 C HIS A 130 8.358 -9.910 5.442 1.00 43.52 C ATOM 1954 O HIS A 130 7.960 -10.967 5.923 1.00 71.42 O ATOM 1955 CB HIS A 130 7.410 -9.262 3.215 1.00 64.21 C ATOM 1956 CG HIS A 130 6.791 -10.593 2.851 1.00 3.23 C ATOM 1957 ND1 HIS A 130 7.494 -11.786 2.726 1.00 11.24 N ATOM 1958 CD2 HIS A 130 5.501 -10.895 2.564 1.00 61.12 C ATOM 1959 CE1 HIS A 130 6.629 -12.736 2.372 1.00 45.33 C ATOM 1960 NE2 HIS A 130 5.403 -12.250 2.260 1.00 35.23 N ATOM 0 H HIS A 130 8.215 -7.101 4.101 1.00 3.54 H new ATOM 0 HA HIS A 130 6.408 -9.049 5.113 1.00 11.13 H new ATOM 0 HB2 HIS A 130 6.868 -8.471 2.697 1.00 64.21 H new ATOM 0 HB3 HIS A 130 8.435 -9.241 2.845 1.00 64.21 H new ATOM 0 HD2 HIS A 130 4.679 -10.195 2.570 1.00 61.12 H new ATOM 0 HE1 HIS A 130 6.894 -13.769 2.199 1.00 45.33 H new ATOM 0 HE2 HIS A 130 4.559 -12.763 2.004 1.00 35.23 H new ATOM 1968 N ALA A 131 9.597 -9.492 5.541 1.00 23.42 N ATOM 1969 CA ALA A 131 10.639 -10.285 6.174 1.00 42.15 C ATOM 1970 C ALA A 131 10.864 -9.825 7.616 1.00 14.33 C ATOM 1971 O ALA A 131 11.884 -10.143 8.227 1.00 64.41 O ATOM 1972 CB ALA A 131 11.925 -10.179 5.370 1.00 63.32 C ATOM 0 H ALA A 131 9.918 -8.591 5.186 1.00 23.42 H new ATOM 0 HA ALA A 131 10.324 -11.328 6.199 1.00 42.15 H new ATOM 0 HB1 ALA A 131 12.703 -10.775 5.848 1.00 63.32 H new ATOM 0 HB2 ALA A 131 11.754 -10.549 4.359 1.00 63.32 H new ATOM 0 HB3 ALA A 131 12.242 -9.137 5.326 1.00 63.32 H new ATOM 1978 N HIS A 132 9.900 -9.063 8.136 1.00 14.44 N ATOM 1979 CA HIS A 132 9.899 -8.553 9.516 1.00 22.54 C ATOM 1980 C HIS A 132 11.107 -7.697 9.883 1.00 52.14 C ATOM 1981 O HIS A 132 11.546 -7.643 11.030 1.00 61.25 O ATOM 1982 CB HIS A 132 9.599 -9.643 10.543 1.00 51.21 C ATOM 1983 CG HIS A 132 8.150 -10.030 10.546 1.00 11.44 C ATOM 1984 ND1 HIS A 132 7.673 -11.258 10.169 1.00 72.14 N ATOM 1985 CD2 HIS A 132 7.064 -9.303 10.900 1.00 31.14 C ATOM 1986 CE1 HIS A 132 6.347 -11.246 10.294 1.00 24.23 C ATOM 1987 NE2 HIS A 132 5.922 -10.077 10.739 1.00 0.44 N ATOM 0 H HIS A 132 9.080 -8.775 7.602 1.00 14.44 H new ATOM 0 HA HIS A 132 9.064 -7.854 9.551 1.00 22.54 H new ATOM 0 HB2 HIS A 132 10.208 -10.521 10.328 1.00 51.21 H new ATOM 0 HB3 HIS A 132 9.883 -9.294 11.536 1.00 51.21 H new ATOM 0 HD1 HIS A 132 8.236 -12.045 9.848 1.00 72.14 H new ATOM 0 HD2 HIS A 132 7.083 -8.282 11.252 1.00 31.14 H new ATOM 0 HE1 HIS A 132 5.704 -12.082 10.062 1.00 24.23 H new ATOM 1995 N GLN A 133 11.572 -6.967 8.909 1.00 32.24 N ATOM 1996 CA GLN A 133 12.607 -5.954 9.072 1.00 53.23 C ATOM 1997 C GLN A 133 11.903 -4.596 9.030 1.00 42.25 C ATOM 1998 O GLN A 133 12.491 -3.552 8.754 1.00 74.32 O ATOM 1999 CB GLN A 133 13.654 -6.088 7.962 1.00 31.21 C ATOM 2000 CG GLN A 133 14.377 -7.427 7.981 1.00 62.34 C ATOM 2001 CD GLN A 133 15.308 -7.620 6.808 1.00 1.54 C ATOM 2002 OE1 GLN A 133 14.770 -8.144 5.742 1.00 1.12 O flip ATOM 2003 NE2 GLN A 133 16.504 -7.289 6.864 1.00 54.51 N flip ATOM 0 H GLN A 133 11.240 -7.053 7.948 1.00 32.24 H new ATOM 0 HA GLN A 133 13.139 -6.069 10.016 1.00 53.23 H new ATOM 0 HB2 GLN A 133 13.168 -5.958 6.995 1.00 31.21 H new ATOM 0 HB3 GLN A 133 14.385 -5.286 8.062 1.00 31.21 H new ATOM 0 HG2 GLN A 133 14.947 -7.511 8.906 1.00 62.34 H new ATOM 0 HG3 GLN A 133 13.640 -8.230 7.987 1.00 62.34 H new ATOM 0 HE21 GLN A 133 16.881 -6.882 7.720 1.00 54.51 H new ATOM 0 HE22 GLN A 133 17.109 -7.424 6.054 1.00 54.51 H new ATOM 2012 N ALA A 134 10.611 -4.664 9.361 1.00 34.31 N ATOM 2013 CA ALA A 134 9.639 -3.571 9.334 1.00 65.35 C ATOM 2014 C ALA A 134 10.084 -2.335 10.103 1.00 51.35 C ATOM 2015 O ALA A 134 9.679 -1.238 9.764 1.00 53.03 O ATOM 2016 CB ALA A 134 8.289 -4.053 9.842 1.00 75.50 C ATOM 0 H ALA A 134 10.191 -5.539 9.674 1.00 34.31 H new ATOM 0 HA ALA A 134 9.555 -3.265 8.291 1.00 65.35 H new ATOM 0 HB1 ALA A 134 7.575 -3.229 9.816 1.00 75.50 H new ATOM 0 HB2 ALA A 134 7.930 -4.864 9.208 1.00 75.50 H new ATOM 0 HB3 ALA A 134 8.393 -4.412 10.866 1.00 75.50 H new ATOM 2022 N ARG A 135 10.908 -2.518 11.125 1.00 52.51 N ATOM 2023 CA ARG A 135 11.386 -1.400 11.962 1.00 23.50 C ATOM 2024 C ARG A 135 12.057 -0.308 11.115 1.00 70.52 C ATOM 2025 O ARG A 135 11.838 0.885 11.330 1.00 32.31 O ATOM 2026 CB ARG A 135 12.398 -1.892 12.989 1.00 15.13 C ATOM 2027 CG ARG A 135 11.872 -2.903 13.982 1.00 0.03 C ATOM 2028 CD ARG A 135 12.950 -3.294 14.980 1.00 13.45 C ATOM 2029 NE ARG A 135 14.097 -3.959 14.339 1.00 32.10 N ATOM 2030 CZ ARG A 135 15.378 -3.838 14.732 1.00 1.44 C ATOM 2031 NH1 ARG A 135 15.717 -2.961 15.685 1.00 60.44 N ATOM 2032 NH2 ARG A 135 16.319 -4.578 14.152 1.00 4.43 N ATOM 0 H ARG A 135 11.267 -3.431 11.404 1.00 52.51 H new ATOM 0 HA ARG A 135 10.511 -0.984 12.462 1.00 23.50 H new ATOM 0 HB2 ARG A 135 13.243 -2.333 12.460 1.00 15.13 H new ATOM 0 HB3 ARG A 135 12.780 -1.032 13.539 1.00 15.13 H new ATOM 0 HG2 ARG A 135 11.015 -2.487 14.511 1.00 0.03 H new ATOM 0 HG3 ARG A 135 11.521 -3.789 13.453 1.00 0.03 H new ATOM 0 HD2 ARG A 135 13.297 -2.403 15.503 1.00 13.45 H new ATOM 0 HD3 ARG A 135 12.522 -3.958 15.731 1.00 13.45 H new ATOM 0 HE ARG A 135 13.906 -4.557 13.535 1.00 32.10 H new ATOM 0 HH11 ARG A 135 15.002 -2.378 16.119 1.00 60.44 H new ATOM 0 HH12 ARG A 135 16.691 -2.876 15.977 1.00 60.44 H new ATOM 0 HH21 ARG A 135 16.068 -5.234 13.412 1.00 4.43 H new ATOM 0 HH22 ARG A 135 17.291 -4.489 14.447 1.00 4.43 H new ATOM 2046 N GLU A 136 12.825 -0.724 10.130 1.00 34.35 N ATOM 2047 CA GLU A 136 13.530 0.213 9.268 1.00 0.41 C ATOM 2048 C GLU A 136 12.539 0.888 8.319 1.00 61.10 C ATOM 2049 O GLU A 136 12.725 2.026 7.899 1.00 11.45 O ATOM 2050 CB GLU A 136 14.607 -0.519 8.476 1.00 13.43 C ATOM 2051 CG GLU A 136 15.571 -1.304 9.352 1.00 55.21 C ATOM 2052 CD GLU A 136 16.211 -0.441 10.401 1.00 14.44 C ATOM 2053 OE1 GLU A 136 17.119 0.333 10.070 1.00 33.13 O ATOM 2054 OE2 GLU A 136 15.809 -0.500 11.576 1.00 14.01 O ATOM 0 H GLU A 136 12.980 -1.706 9.903 1.00 34.35 H new ATOM 0 HA GLU A 136 14.007 0.977 9.882 1.00 0.41 H new ATOM 0 HB2 GLU A 136 14.130 -1.201 7.772 1.00 13.43 H new ATOM 0 HB3 GLU A 136 15.170 0.205 7.887 1.00 13.43 H new ATOM 0 HG2 GLU A 136 15.037 -2.124 9.833 1.00 55.21 H new ATOM 0 HG3 GLU A 136 16.345 -1.750 8.728 1.00 55.21 H new ATOM 2061 N VAL A 137 11.469 0.180 8.027 1.00 63.00 N ATOM 2062 CA VAL A 137 10.416 0.666 7.153 1.00 10.53 C ATOM 2063 C VAL A 137 9.637 1.758 7.878 1.00 31.00 C ATOM 2064 O VAL A 137 9.303 2.790 7.294 1.00 22.31 O ATOM 2065 CB VAL A 137 9.464 -0.487 6.746 1.00 72.33 C ATOM 2066 CG1 VAL A 137 8.401 -0.013 5.770 1.00 72.24 C ATOM 2067 CG2 VAL A 137 10.259 -1.641 6.160 1.00 71.13 C ATOM 0 H VAL A 137 11.301 -0.758 8.391 1.00 63.00 H new ATOM 0 HA VAL A 137 10.862 1.070 6.244 1.00 10.53 H new ATOM 0 HB VAL A 137 8.951 -0.834 7.643 1.00 72.33 H new ATOM 0 HG11 VAL A 137 7.751 -0.847 5.506 1.00 72.24 H new ATOM 0 HG12 VAL A 137 7.808 0.776 6.233 1.00 72.24 H new ATOM 0 HG13 VAL A 137 8.880 0.373 4.870 1.00 72.24 H new ATOM 0 HG21 VAL A 137 9.579 -2.445 5.878 1.00 71.13 H new ATOM 0 HG22 VAL A 137 10.802 -1.299 5.279 1.00 71.13 H new ATOM 0 HG23 VAL A 137 10.968 -2.009 6.902 1.00 71.13 H new ATOM 2077 N VAL A 138 9.390 1.529 9.165 1.00 62.22 N ATOM 2078 CA VAL A 138 8.746 2.509 10.034 1.00 55.34 C ATOM 2079 C VAL A 138 9.583 3.770 10.043 1.00 20.41 C ATOM 2080 O VAL A 138 9.079 4.880 9.882 1.00 25.21 O ATOM 2081 CB VAL A 138 8.653 1.999 11.499 1.00 41.34 C ATOM 2082 CG1 VAL A 138 7.978 3.036 12.397 1.00 74.42 C ATOM 2083 CG2 VAL A 138 7.917 0.674 11.581 1.00 32.43 C ATOM 0 H VAL A 138 9.631 0.657 9.635 1.00 62.22 H new ATOM 0 HA VAL A 138 7.740 2.688 9.654 1.00 55.34 H new ATOM 0 HB VAL A 138 9.672 1.842 11.853 1.00 41.34 H new ATOM 0 HG11 VAL A 138 7.925 2.655 13.417 1.00 74.42 H new ATOM 0 HG12 VAL A 138 8.556 3.960 12.384 1.00 74.42 H new ATOM 0 HG13 VAL A 138 6.971 3.234 12.031 1.00 74.42 H new ATOM 0 HG21 VAL A 138 7.871 0.347 12.620 1.00 32.43 H new ATOM 0 HG22 VAL A 138 6.906 0.795 11.193 1.00 32.43 H new ATOM 0 HG23 VAL A 138 8.446 -0.073 10.989 1.00 32.43 H new ATOM 2093 N ARG A 139 10.872 3.578 10.211 1.00 25.31 N ATOM 2094 CA ARG A 139 11.812 4.667 10.226 1.00 33.31 C ATOM 2095 C ARG A 139 11.868 5.405 8.885 1.00 24.52 C ATOM 2096 O ARG A 139 11.960 6.632 8.852 1.00 51.03 O ATOM 2097 CB ARG A 139 13.178 4.222 10.731 1.00 52.22 C ATOM 2098 CG ARG A 139 13.146 3.799 12.189 1.00 30.45 C ATOM 2099 CD ARG A 139 14.517 3.806 12.839 1.00 14.11 C ATOM 2100 NE ARG A 139 15.476 2.835 12.299 1.00 61.14 N ATOM 2101 CZ ARG A 139 16.759 2.759 12.705 1.00 52.31 C ATOM 2102 NH1 ARG A 139 17.234 3.642 13.574 1.00 75.42 N ATOM 2103 NH2 ARG A 139 17.560 1.822 12.239 1.00 42.21 N ATOM 0 H ARG A 139 11.295 2.659 10.341 1.00 25.31 H new ATOM 0 HA ARG A 139 11.449 5.402 10.944 1.00 33.31 H new ATOM 0 HB2 ARG A 139 13.535 3.391 10.122 1.00 52.22 H new ATOM 0 HB3 ARG A 139 13.891 5.037 10.607 1.00 52.22 H new ATOM 0 HG2 ARG A 139 12.485 4.467 12.741 1.00 30.45 H new ATOM 0 HG3 ARG A 139 12.721 2.798 12.262 1.00 30.45 H new ATOM 0 HD2 ARG A 139 14.942 4.805 12.739 1.00 14.11 H new ATOM 0 HD3 ARG A 139 14.396 3.616 13.905 1.00 14.11 H new ATOM 0 HE ARG A 139 15.156 2.185 11.581 1.00 61.14 H new ATOM 0 HH11 ARG A 139 16.628 4.379 13.935 1.00 75.42 H new ATOM 0 HH12 ARG A 139 18.205 3.584 13.881 1.00 75.42 H new ATOM 0 HH21 ARG A 139 17.211 1.143 11.563 1.00 42.21 H new ATOM 0 HH22 ARG A 139 18.529 1.776 12.555 1.00 42.21 H new ATOM 2117 N ARG A 140 11.779 4.669 7.781 1.00 45.13 N ATOM 2118 CA ARG A 140 11.718 5.299 6.461 1.00 13.21 C ATOM 2119 C ARG A 140 10.419 6.120 6.323 1.00 41.34 C ATOM 2120 O ARG A 140 10.413 7.193 5.719 1.00 33.20 O ATOM 2121 CB ARG A 140 11.844 4.267 5.316 1.00 34.43 C ATOM 2122 CG ARG A 140 11.801 4.895 3.913 1.00 62.21 C ATOM 2123 CD ARG A 140 12.980 5.848 3.669 1.00 1.12 C ATOM 2124 NE ARG A 140 14.252 5.136 3.448 1.00 22.51 N ATOM 2125 CZ ARG A 140 15.295 5.060 4.293 1.00 64.34 C ATOM 2126 NH1 ARG A 140 15.207 5.543 5.529 1.00 41.34 N ATOM 2127 NH2 ARG A 140 16.428 4.482 3.881 1.00 4.34 N ATOM 0 H ARG A 140 11.748 3.650 7.770 1.00 45.13 H new ATOM 0 HA ARG A 140 12.572 5.971 6.376 1.00 13.21 H new ATOM 0 HB2 ARG A 140 12.780 3.721 5.432 1.00 34.43 H new ATOM 0 HB3 ARG A 140 11.037 3.539 5.404 1.00 34.43 H new ATOM 0 HG2 ARG A 140 11.813 4.105 3.162 1.00 62.21 H new ATOM 0 HG3 ARG A 140 10.864 5.439 3.788 1.00 62.21 H new ATOM 0 HD2 ARG A 140 12.763 6.473 2.803 1.00 1.12 H new ATOM 0 HD3 ARG A 140 13.086 6.515 4.525 1.00 1.12 H new ATOM 0 HE ARG A 140 14.351 4.648 2.558 1.00 22.51 H new ATOM 0 HH11 ARG A 140 14.340 5.978 5.846 1.00 41.34 H new ATOM 0 HH12 ARG A 140 16.006 5.479 6.160 1.00 41.34 H new ATOM 0 HH21 ARG A 140 16.494 4.105 2.935 1.00 4.34 H new ATOM 0 HH22 ARG A 140 17.227 4.418 4.512 1.00 4.34 H new ATOM 2141 N ALA A 141 9.340 5.617 6.907 1.00 22.15 N ATOM 2142 CA ALA A 141 8.065 6.323 6.919 1.00 53.31 C ATOM 2143 C ALA A 141 8.205 7.631 7.685 1.00 1.44 C ATOM 2144 O ALA A 141 7.720 8.681 7.246 1.00 52.24 O ATOM 2145 CB ALA A 141 6.976 5.458 7.544 1.00 61.53 C ATOM 0 H ALA A 141 9.323 4.715 7.383 1.00 22.15 H new ATOM 0 HA ALA A 141 7.778 6.542 5.890 1.00 53.31 H new ATOM 0 HB1 ALA A 141 6.033 6.004 7.543 1.00 61.53 H new ATOM 0 HB2 ALA A 141 6.865 4.540 6.967 1.00 61.53 H new ATOM 0 HB3 ALA A 141 7.251 5.211 8.569 1.00 61.53 H new ATOM 2151 N GLN A 142 8.894 7.560 8.824 1.00 10.33 N ATOM 2152 CA GLN A 142 9.180 8.728 9.652 1.00 53.02 C ATOM 2153 C GLN A 142 9.968 9.737 8.853 1.00 71.43 C ATOM 2154 O GLN A 142 9.671 10.906 8.876 1.00 3.23 O ATOM 2155 CB GLN A 142 10.006 8.344 10.861 1.00 21.23 C ATOM 2156 CG GLN A 142 9.372 7.351 11.795 1.00 74.33 C ATOM 2157 CD GLN A 142 10.336 6.938 12.877 1.00 32.11 C ATOM 2158 OE1 GLN A 142 11.552 6.927 12.667 1.00 3.01 O ATOM 2159 NE2 GLN A 142 9.823 6.590 14.014 1.00 44.40 N ATOM 0 H GLN A 142 9.270 6.688 9.198 1.00 10.33 H new ATOM 0 HA GLN A 142 8.228 9.148 9.977 1.00 53.02 H new ATOM 0 HB2 GLN A 142 10.955 7.935 10.515 1.00 21.23 H new ATOM 0 HB3 GLN A 142 10.236 9.249 11.424 1.00 21.23 H new ATOM 0 HG2 GLN A 142 8.480 7.787 12.244 1.00 74.33 H new ATOM 0 HG3 GLN A 142 9.050 6.473 11.235 1.00 74.33 H new ATOM 0 HE21 GLN A 142 8.812 6.614 14.146 1.00 44.40 H new ATOM 0 HE22 GLN A 142 10.430 6.292 14.778 1.00 44.40 H new ATOM 2168 N ALA A 143 10.957 9.248 8.127 1.00 12.41 N ATOM 2169 CA ALA A 143 11.823 10.074 7.293 1.00 34.24 C ATOM 2170 C ALA A 143 11.038 10.784 6.181 1.00 1.55 C ATOM 2171 O ALA A 143 11.445 11.840 5.692 1.00 14.52 O ATOM 2172 CB ALA A 143 12.930 9.219 6.698 1.00 60.00 C ATOM 0 H ALA A 143 11.187 8.255 8.097 1.00 12.41 H new ATOM 0 HA ALA A 143 12.260 10.847 7.924 1.00 34.24 H new ATOM 0 HB1 ALA A 143 13.575 9.840 6.076 1.00 60.00 H new ATOM 0 HB2 ALA A 143 13.519 8.776 7.501 1.00 60.00 H new ATOM 0 HB3 ALA A 143 12.492 8.428 6.090 1.00 60.00 H new ATOM 2178 N MET A 144 9.931 10.196 5.780 1.00 53.20 N ATOM 2179 CA MET A 144 9.077 10.776 4.758 1.00 71.25 C ATOM 2180 C MET A 144 8.163 11.842 5.362 1.00 51.42 C ATOM 2181 O MET A 144 7.845 12.838 4.722 1.00 72.14 O ATOM 2182 CB MET A 144 8.244 9.685 4.066 1.00 20.41 C ATOM 2183 CG MET A 144 7.278 10.203 3.001 1.00 43.44 C ATOM 2184 SD MET A 144 8.106 11.017 1.620 1.00 13.54 S ATOM 2185 CE MET A 144 6.690 11.497 0.629 1.00 63.21 C ATOM 0 H MET A 144 9.596 9.306 6.150 1.00 53.20 H new ATOM 0 HA MET A 144 9.713 11.250 4.011 1.00 71.25 H new ATOM 0 HB2 MET A 144 8.922 8.966 3.605 1.00 20.41 H new ATOM 0 HB3 MET A 144 7.675 9.146 4.823 1.00 20.41 H new ATOM 0 HG2 MET A 144 6.687 9.370 2.621 1.00 43.44 H new ATOM 0 HG3 MET A 144 6.582 10.904 3.462 1.00 43.44 H new ATOM 0 HE1 MET A 144 6.850 11.194 -0.406 1.00 63.21 H new ATOM 0 HE2 MET A 144 5.794 11.011 1.015 1.00 63.21 H new ATOM 0 HE3 MET A 144 6.564 12.579 0.675 1.00 63.21 H new ATOM 2195 N ALA A 145 7.745 11.632 6.588 1.00 52.03 N ATOM 2196 CA ALA A 145 6.841 12.560 7.256 1.00 10.22 C ATOM 2197 C ALA A 145 7.599 13.724 7.883 1.00 62.32 C ATOM 2198 O ALA A 145 7.193 14.892 7.764 1.00 61.21 O ATOM 2199 CB ALA A 145 6.012 11.829 8.310 1.00 61.21 C ATOM 0 H ALA A 145 8.014 10.825 7.151 1.00 52.03 H new ATOM 0 HA ALA A 145 6.168 12.971 6.503 1.00 10.22 H new ATOM 0 HB1 ALA A 145 5.342 12.535 8.800 1.00 61.21 H new ATOM 0 HB2 ALA A 145 5.426 11.044 7.832 1.00 61.21 H new ATOM 0 HB3 ALA A 145 6.676 11.385 9.051 1.00 61.21 H new ATOM 2205 N TYR A 146 8.692 13.410 8.520 1.00 22.14 N ATOM 2206 CA TYR A 146 9.491 14.370 9.214 1.00 53.12 C ATOM 2207 C TYR A 146 10.927 14.273 8.727 1.00 15.24 C ATOM 2208 O TYR A 146 11.738 13.540 9.355 1.00 37.77 O ATOM 2209 CB TYR A 146 9.440 14.117 10.727 1.00 51.55 C ATOM 2210 CG TYR A 146 8.052 14.101 11.321 1.00 41.22 C ATOM 2211 CD1 TYR A 146 7.294 15.258 11.393 1.00 23.11 C ATOM 2212 CD2 TYR A 146 7.500 12.926 11.812 1.00 72.03 C ATOM 2213 CE1 TYR A 146 6.030 15.250 11.939 1.00 3.14 C ATOM 2214 CE2 TYR A 146 6.239 12.910 12.363 1.00 3.41 C ATOM 2215 CZ TYR A 146 5.508 14.076 12.423 1.00 73.22 C ATOM 2216 OH TYR A 146 4.250 14.067 12.982 1.00 12.11 O ATOM 2217 OXT TYR A 146 11.259 14.910 7.710 1.00 37.77 O ATOM 0 H TYR A 146 9.057 12.459 8.570 1.00 22.14 H new ATOM 0 HA TYR A 146 9.100 15.368 9.015 1.00 53.12 H new ATOM 0 HB2 TYR A 146 9.921 13.162 10.938 1.00 51.55 H new ATOM 0 HB3 TYR A 146 10.026 14.887 11.230 1.00 51.55 H new ATOM 0 HD1 TYR A 146 7.702 16.183 11.014 1.00 23.11 H new ATOM 0 HD2 TYR A 146 8.069 12.010 11.761 1.00 72.03 H new ATOM 0 HE1 TYR A 146 5.453 16.162 11.986 1.00 3.14 H new ATOM 0 HE2 TYR A 146 5.825 11.989 12.746 1.00 3.41 H new ATOM 0 HH TYR A 146 4.029 13.158 13.275 1.00 12.11 H new