USER MOD reduce.3.24.130724 H: found=0, std=0, add=942, rem=0, adj=20 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 110 THR OG1 : rot -106:sc= 0.0565 USER MOD Set 1.2: A 121 SER OG : rot 180:sc= 0.0485 USER MOD Set 2.1: A 30 TYR OH : rot 124:sc= 0.108 USER MOD Set 2.2: A 68 GLN : amide:sc= -0.384 X(o=-0.28,f=-0.017) USER MOD Set 3.1: A 49 GLN : amide:sc= -0.27 K(o=0.44,f=-5.8!) USER MOD Set 3.2: A 54 HIS : no HE2:sc= 0.708 K(o=0.44,f=-5.2!) USER MOD Single : A 29 THR OG1 : rot 150:sc= 0.0123 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 169:sc= -0.0166 (180deg=-0.163) USER MOD Single : A 48 GLN : amide:sc= -0.239 K(o=-0.24,f=-2.9!) USER MOD Single : A 72 THR OG1 : rot -78:sc= 1.22 USER MOD Single : A 73 ASN : amide:sc=-0.000381 X(o=-0.00038,f=-0.00038) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= -0.539 K(o=-0.54,f=-5.2!) USER MOD Single : A 79 LYS NZ :NH3+ -162:sc= -0.0641 (180deg=-0.379) USER MOD Single : A 80 SER OG : rot -35:sc= 0.476 USER MOD Single : A 86 THR OG1 : rot 76:sc= 1.27 USER MOD Single : A 89 HIS : no HD1:sc= 0 X(o=0,f=-0.00056) USER MOD Single : A 93 TYR OH : rot 77:sc= 1.31 USER MOD Single : A 96 THR OG1 : rot 5:sc= 1.14 USER MOD Single : A 99 MET CE :methyl 165:sc= -0.261 (180deg=-0.883) USER MOD Single : A 104 THR OG1 : rot 103:sc= 1.22 USER MOD Single : A 108 SER OG : rot -38:sc= 0.105 USER MOD Single : A 122 ASN :FLIP amide:sc= -1.53! C(o=-3!,f=-1.5!) USER MOD Single : A 130 HIS : no HE2:sc= -0.967 X(o=-0.97,f=-0.69) USER MOD Single : A 132 HIS : no HD1:sc= -0.154 X(o=-0.15,f=-0.15) USER MOD Single : A 133 GLN : amide:sc= -1.5 K(o=-1.5,f=-3.4!) USER MOD Single : A 142 GLN : amide:sc= -0.0498 K(o=-0.05,f=-1.3) USER MOD Single : A 144 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 146 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 239 N ALA A 18 -8.405 4.687 -3.451 1.00 50.42 N ATOM 240 CA ALA A 18 -7.346 4.057 -4.203 1.00 62.41 C ATOM 241 C ALA A 18 -6.755 5.045 -5.196 1.00 41.34 C ATOM 242 O ALA A 18 -7.479 5.633 -6.024 1.00 21.35 O ATOM 243 CB ALA A 18 -7.878 2.832 -4.924 1.00 22.00 C ATOM 0 HA ALA A 18 -6.560 3.742 -3.517 1.00 62.41 H new ATOM 0 HB1 ALA A 18 -7.072 2.363 -5.489 1.00 22.00 H new ATOM 0 HB2 ALA A 18 -8.271 2.123 -4.195 1.00 22.00 H new ATOM 0 HB3 ALA A 18 -8.674 3.129 -5.607 1.00 22.00 H new ATOM 249 N GLY A 19 -5.459 5.238 -5.109 1.00 20.11 N ATOM 250 CA GLY A 19 -4.796 6.194 -5.937 1.00 73.14 C ATOM 251 C GLY A 19 -4.201 5.610 -7.186 1.00 75.25 C ATOM 252 O GLY A 19 -4.904 5.000 -8.005 1.00 63.53 O ATOM 0 H GLY A 19 -4.847 4.737 -4.465 1.00 20.11 H new ATOM 0 HA2 GLY A 19 -5.506 6.973 -6.215 1.00 73.14 H new ATOM 0 HA3 GLY A 19 -4.005 6.674 -5.360 1.00 73.14 H new ATOM 256 N ASP A 20 -2.918 5.762 -7.333 1.00 25.22 N ATOM 257 CA ASP A 20 -2.238 5.377 -8.552 1.00 54.42 C ATOM 258 C ASP A 20 -1.374 4.152 -8.337 1.00 51.21 C ATOM 259 O ASP A 20 -0.606 4.091 -7.384 1.00 31.41 O ATOM 260 CB ASP A 20 -1.411 6.556 -9.072 1.00 2.05 C ATOM 261 CG ASP A 20 -0.696 6.267 -10.362 1.00 31.24 C ATOM 262 OD1 ASP A 20 -1.370 5.955 -11.367 1.00 74.41 O ATOM 263 OD2 ASP A 20 0.539 6.424 -10.420 1.00 61.31 O ATOM 0 H ASP A 20 -2.307 6.155 -6.617 1.00 25.22 H new ATOM 0 HA ASP A 20 -2.984 5.113 -9.302 1.00 54.42 H new ATOM 0 HB2 ASP A 20 -2.067 7.415 -9.215 1.00 2.05 H new ATOM 0 HB3 ASP A 20 -0.678 6.837 -8.315 1.00 2.05 H new ATOM 268 N ASP A 21 -1.538 3.176 -9.209 1.00 23.01 N ATOM 269 CA ASP A 21 -0.800 1.907 -9.149 1.00 20.31 C ATOM 270 C ASP A 21 0.696 2.122 -9.398 1.00 71.22 C ATOM 271 O ASP A 21 1.121 2.466 -10.513 1.00 70.20 O ATOM 272 CB ASP A 21 -1.408 0.917 -10.146 1.00 71.21 C ATOM 273 CG ASP A 21 -0.667 -0.395 -10.252 1.00 4.15 C ATOM 274 OD1 ASP A 21 -0.237 -0.938 -9.231 1.00 74.01 O ATOM 275 OD2 ASP A 21 -0.525 -0.906 -11.397 1.00 0.12 O ATOM 0 H ASP A 21 -2.191 3.232 -9.990 1.00 23.01 H new ATOM 0 HA ASP A 21 -0.891 1.488 -8.147 1.00 20.31 H new ATOM 0 HB2 ASP A 21 -2.439 0.716 -9.857 1.00 71.21 H new ATOM 0 HB3 ASP A 21 -1.439 1.384 -11.130 1.00 71.21 H new ATOM 280 N VAL A 22 1.477 1.958 -8.345 1.00 14.03 N ATOM 281 CA VAL A 22 2.913 2.226 -8.368 1.00 14.13 C ATOM 282 C VAL A 22 3.744 1.028 -8.846 1.00 24.00 C ATOM 283 O VAL A 22 4.806 1.210 -9.484 1.00 21.45 O ATOM 284 CB VAL A 22 3.412 2.723 -6.973 1.00 64.34 C ATOM 285 CG1 VAL A 22 4.922 2.914 -6.930 1.00 64.22 C ATOM 286 CG2 VAL A 22 2.735 4.025 -6.627 1.00 53.43 C ATOM 0 H VAL A 22 1.135 1.633 -7.441 1.00 14.03 H new ATOM 0 HA VAL A 22 3.063 3.019 -9.101 1.00 14.13 H new ATOM 0 HB VAL A 22 3.156 1.953 -6.245 1.00 64.34 H new ATOM 0 HG11 VAL A 22 5.217 3.260 -5.939 1.00 64.22 H new ATOM 0 HG12 VAL A 22 5.415 1.966 -7.145 1.00 64.22 H new ATOM 0 HG13 VAL A 22 5.217 3.653 -7.675 1.00 64.22 H new ATOM 0 HG21 VAL A 22 3.085 4.369 -5.654 1.00 53.43 H new ATOM 0 HG22 VAL A 22 2.974 4.772 -7.384 1.00 53.43 H new ATOM 0 HG23 VAL A 22 1.656 3.876 -6.593 1.00 53.43 H new ATOM 296 N LEU A 23 3.287 -0.178 -8.590 1.00 33.03 N ATOM 297 CA LEU A 23 4.068 -1.322 -9.001 1.00 53.33 C ATOM 298 C LEU A 23 3.839 -1.683 -10.464 1.00 22.41 C ATOM 299 O LEU A 23 2.990 -1.090 -11.139 1.00 11.03 O ATOM 300 CB LEU A 23 4.005 -2.548 -8.023 1.00 32.42 C ATOM 301 CG LEU A 23 2.635 -3.078 -7.539 1.00 62.24 C ATOM 302 CD1 LEU A 23 1.728 -3.422 -8.679 1.00 21.20 C ATOM 303 CD2 LEU A 23 2.831 -4.318 -6.694 1.00 63.44 C ATOM 0 H LEU A 23 2.409 -0.389 -8.116 1.00 33.03 H new ATOM 0 HA LEU A 23 5.107 -1.001 -8.927 1.00 53.33 H new ATOM 0 HB2 LEU A 23 4.521 -3.377 -8.508 1.00 32.42 H new ATOM 0 HB3 LEU A 23 4.584 -2.287 -7.137 1.00 32.42 H new ATOM 0 HG LEU A 23 2.173 -2.281 -6.957 1.00 62.24 H new ATOM 0 HD11 LEU A 23 0.778 -3.790 -8.290 1.00 21.20 H new ATOM 0 HD12 LEU A 23 1.552 -2.533 -9.285 1.00 21.20 H new ATOM 0 HD13 LEU A 23 2.192 -4.194 -9.293 1.00 21.20 H new ATOM 0 HD21 LEU A 23 1.862 -4.685 -6.357 1.00 63.44 H new ATOM 0 HD22 LEU A 23 3.325 -5.088 -7.287 1.00 63.44 H new ATOM 0 HD23 LEU A 23 3.448 -4.075 -5.829 1.00 63.44 H new ATOM 315 N ASP A 24 4.622 -2.598 -10.959 1.00 23.21 N ATOM 316 CA ASP A 24 4.532 -3.003 -12.350 1.00 22.23 C ATOM 317 C ASP A 24 3.284 -3.864 -12.544 1.00 24.22 C ATOM 318 O ASP A 24 2.987 -4.710 -11.697 1.00 20.20 O ATOM 319 CB ASP A 24 5.780 -3.803 -12.735 1.00 42.34 C ATOM 320 CG ASP A 24 5.946 -3.981 -14.229 1.00 52.12 C ATOM 321 OD1 ASP A 24 5.310 -4.875 -14.826 1.00 24.40 O ATOM 322 OD2 ASP A 24 6.759 -3.235 -14.824 1.00 12.22 O ATOM 0 H ASP A 24 5.339 -3.087 -10.422 1.00 23.21 H new ATOM 0 HA ASP A 24 4.466 -2.120 -12.985 1.00 22.23 H new ATOM 0 HB2 ASP A 24 6.661 -3.300 -12.337 1.00 42.34 H new ATOM 0 HB3 ASP A 24 5.733 -4.784 -12.263 1.00 42.34 H new ATOM 327 N PRO A 25 2.521 -3.657 -13.634 1.00 44.31 N ATOM 328 CA PRO A 25 1.303 -4.433 -13.927 1.00 1.03 C ATOM 329 C PRO A 25 1.531 -5.951 -13.978 1.00 74.24 C ATOM 330 O PRO A 25 0.591 -6.729 -13.818 1.00 54.33 O ATOM 331 CB PRO A 25 0.844 -3.917 -15.295 1.00 45.12 C ATOM 332 CG PRO A 25 1.992 -3.138 -15.836 1.00 3.34 C ATOM 333 CD PRO A 25 2.742 -2.615 -14.650 1.00 21.00 C ATOM 0 HA PRO A 25 0.567 -4.297 -13.135 1.00 1.03 H new ATOM 0 HB2 PRO A 25 0.583 -4.742 -15.958 1.00 45.12 H new ATOM 0 HB3 PRO A 25 -0.044 -3.292 -15.200 1.00 45.12 H new ATOM 0 HG2 PRO A 25 2.632 -3.768 -16.454 1.00 3.34 H new ATOM 0 HG3 PRO A 25 1.644 -2.320 -16.467 1.00 3.34 H new ATOM 0 HD2 PRO A 25 3.802 -2.483 -14.869 1.00 21.00 H new ATOM 0 HD3 PRO A 25 2.360 -1.647 -14.325 1.00 21.00 H new ATOM 341 N ASP A 26 2.769 -6.365 -14.201 1.00 34.32 N ATOM 342 CA ASP A 26 3.103 -7.790 -14.269 1.00 63.33 C ATOM 343 C ASP A 26 3.096 -8.438 -12.888 1.00 40.14 C ATOM 344 O ASP A 26 2.908 -9.657 -12.762 1.00 5.14 O ATOM 345 CB ASP A 26 4.459 -7.998 -14.934 1.00 1.31 C ATOM 346 CG ASP A 26 4.842 -9.455 -15.057 1.00 54.51 C ATOM 347 OD1 ASP A 26 4.243 -10.168 -15.897 1.00 13.31 O ATOM 348 OD2 ASP A 26 5.758 -9.912 -14.324 1.00 60.32 O ATOM 0 H ASP A 26 3.563 -5.739 -14.339 1.00 34.32 H new ATOM 0 HA ASP A 26 2.334 -8.272 -14.873 1.00 63.33 H new ATOM 0 HB2 ASP A 26 4.443 -7.548 -15.927 1.00 1.31 H new ATOM 0 HB3 ASP A 26 5.223 -7.475 -14.359 1.00 1.31 H new ATOM 353 N GLU A 27 3.264 -7.620 -11.857 1.00 34.53 N ATOM 354 CA GLU A 27 3.307 -8.110 -10.489 1.00 24.21 C ATOM 355 C GLU A 27 1.972 -8.738 -10.116 1.00 64.42 C ATOM 356 O GLU A 27 0.911 -8.208 -10.474 1.00 2.24 O ATOM 357 CB GLU A 27 3.638 -6.982 -9.509 1.00 33.12 C ATOM 358 CG GLU A 27 4.975 -6.310 -9.754 1.00 4.41 C ATOM 359 CD GLU A 27 6.141 -7.253 -9.632 1.00 64.04 C ATOM 360 OE1 GLU A 27 6.621 -7.486 -8.496 1.00 62.44 O ATOM 361 OE2 GLU A 27 6.631 -7.748 -10.658 1.00 2.43 O ATOM 0 H GLU A 27 3.373 -6.610 -11.945 1.00 34.53 H new ATOM 0 HA GLU A 27 4.093 -8.863 -10.426 1.00 24.21 H new ATOM 0 HB2 GLU A 27 2.852 -6.229 -9.562 1.00 33.12 H new ATOM 0 HB3 GLU A 27 3.627 -7.383 -8.496 1.00 33.12 H new ATOM 0 HG2 GLU A 27 4.976 -5.868 -10.750 1.00 4.41 H new ATOM 0 HG3 GLU A 27 5.100 -5.493 -9.043 1.00 4.41 H new ATOM 368 N PRO A 28 2.000 -9.875 -9.414 1.00 0.22 N ATOM 369 CA PRO A 28 0.793 -10.575 -9.016 1.00 32.40 C ATOM 370 C PRO A 28 0.019 -9.759 -7.999 1.00 43.21 C ATOM 371 O PRO A 28 0.415 -9.630 -6.838 1.00 33.03 O ATOM 372 CB PRO A 28 1.302 -11.885 -8.404 1.00 32.44 C ATOM 373 CG PRO A 28 2.712 -11.605 -8.002 1.00 21.14 C ATOM 374 CD PRO A 28 3.222 -10.558 -8.950 1.00 32.30 C ATOM 0 HA PRO A 28 0.110 -10.748 -9.848 1.00 32.40 H new ATOM 0 HB2 PRO A 28 0.698 -12.180 -7.545 1.00 32.44 H new ATOM 0 HB3 PRO A 28 1.252 -12.702 -9.124 1.00 32.44 H new ATOM 0 HG2 PRO A 28 2.760 -11.253 -6.972 1.00 21.14 H new ATOM 0 HG3 PRO A 28 3.319 -12.509 -8.058 1.00 21.14 H new ATOM 0 HD2 PRO A 28 3.902 -9.866 -8.453 1.00 32.30 H new ATOM 0 HD3 PRO A 28 3.770 -11.003 -9.780 1.00 32.30 H new ATOM 382 N THR A 29 -1.030 -9.172 -8.432 1.00 34.22 N ATOM 383 CA THR A 29 -1.792 -8.327 -7.598 1.00 35.35 C ATOM 384 C THR A 29 -3.049 -9.002 -7.104 1.00 22.01 C ATOM 385 O THR A 29 -3.410 -10.097 -7.549 1.00 50.34 O ATOM 386 CB THR A 29 -2.123 -7.012 -8.327 1.00 70.40 C ATOM 387 OG1 THR A 29 -2.513 -7.295 -9.689 1.00 0.55 O ATOM 388 CG2 THR A 29 -0.924 -6.077 -8.319 1.00 63.24 C ATOM 0 H THR A 29 -1.387 -9.265 -9.383 1.00 34.22 H new ATOM 0 HA THR A 29 -1.188 -8.099 -6.720 1.00 35.35 H new ATOM 0 HB THR A 29 -2.947 -6.524 -7.806 1.00 70.40 H new ATOM 0 HG1 THR A 29 -3.149 -6.615 -9.995 1.00 0.55 H new ATOM 0 HG21 THR A 29 -1.179 -5.154 -8.839 1.00 63.24 H new ATOM 0 HG22 THR A 29 -0.647 -5.849 -7.290 1.00 63.24 H new ATOM 0 HG23 THR A 29 -0.085 -6.557 -8.822 1.00 63.24 H new ATOM 396 N TYR A 30 -3.678 -8.362 -6.189 1.00 55.03 N ATOM 397 CA TYR A 30 -4.914 -8.777 -5.656 1.00 22.21 C ATOM 398 C TYR A 30 -5.955 -7.831 -6.138 1.00 55.21 C ATOM 399 O TYR A 30 -5.645 -6.699 -6.490 1.00 1.55 O ATOM 400 CB TYR A 30 -4.890 -8.765 -4.136 1.00 42.44 C ATOM 401 CG TYR A 30 -4.164 -9.927 -3.538 1.00 41.34 C ATOM 402 CD1 TYR A 30 -4.734 -11.179 -3.575 1.00 52.14 C ATOM 403 CD2 TYR A 30 -2.926 -9.781 -2.937 1.00 41.51 C ATOM 404 CE1 TYR A 30 -4.103 -12.261 -3.037 1.00 70.32 C ATOM 405 CE2 TYR A 30 -2.279 -10.871 -2.388 1.00 14.34 C ATOM 406 CZ TYR A 30 -2.873 -12.108 -2.443 1.00 3.11 C ATOM 407 OH TYR A 30 -2.243 -13.195 -1.897 1.00 43.33 O ATOM 0 H TYR A 30 -3.327 -7.498 -5.776 1.00 55.03 H new ATOM 0 HA TYR A 30 -5.124 -9.797 -5.979 1.00 22.21 H new ATOM 0 HB2 TYR A 30 -4.422 -7.841 -3.796 1.00 42.44 H new ATOM 0 HB3 TYR A 30 -5.915 -8.758 -3.765 1.00 42.44 H new ATOM 0 HD1 TYR A 30 -5.701 -11.307 -4.040 1.00 52.14 H new ATOM 0 HD2 TYR A 30 -2.462 -8.807 -2.897 1.00 41.51 H new ATOM 0 HE1 TYR A 30 -4.568 -13.235 -3.077 1.00 70.32 H new ATOM 0 HE2 TYR A 30 -1.313 -10.751 -1.919 1.00 14.34 H new ATOM 0 HH TYR A 30 -1.352 -13.291 -2.295 1.00 43.33 H new ATOM 417 N ASP A 31 -7.152 -8.265 -6.118 1.00 63.44 N ATOM 418 CA ASP A 31 -8.278 -7.505 -6.587 1.00 44.02 C ATOM 419 C ASP A 31 -9.322 -7.738 -5.534 1.00 34.34 C ATOM 420 O ASP A 31 -9.165 -8.685 -4.745 1.00 4.11 O ATOM 421 CB ASP A 31 -8.746 -8.074 -7.949 1.00 33.23 C ATOM 422 CG ASP A 31 -9.713 -7.182 -8.725 1.00 51.45 C ATOM 423 OD1 ASP A 31 -10.711 -6.713 -8.163 1.00 50.54 O ATOM 424 OD2 ASP A 31 -9.517 -6.999 -9.932 1.00 43.24 O ATOM 0 H ASP A 31 -7.402 -9.189 -5.766 1.00 63.44 H new ATOM 0 HA ASP A 31 -8.062 -6.447 -6.736 1.00 44.02 H new ATOM 0 HB2 ASP A 31 -7.869 -8.258 -8.569 1.00 33.23 H new ATOM 0 HB3 ASP A 31 -9.224 -9.039 -7.778 1.00 33.23 H new ATOM 429 N LEU A 32 -10.353 -6.944 -5.498 1.00 71.42 N ATOM 430 CA LEU A 32 -11.356 -7.025 -4.444 1.00 44.31 C ATOM 431 C LEU A 32 -12.005 -8.429 -4.320 1.00 54.44 C ATOM 432 O LEU A 32 -11.976 -9.011 -3.227 1.00 60.22 O ATOM 433 CB LEU A 32 -12.386 -5.893 -4.555 1.00 55.00 C ATOM 434 CG LEU A 32 -11.831 -4.463 -4.391 1.00 52.12 C ATOM 435 CD1 LEU A 32 -12.936 -3.433 -4.543 1.00 60.43 C ATOM 436 CD2 LEU A 32 -11.137 -4.296 -3.045 1.00 15.24 C ATOM 0 H LEU A 32 -10.533 -6.219 -6.192 1.00 71.42 H new ATOM 0 HA LEU A 32 -10.828 -6.878 -3.502 1.00 44.31 H new ATOM 0 HB2 LEU A 32 -12.873 -5.964 -5.528 1.00 55.00 H new ATOM 0 HB3 LEU A 32 -13.156 -6.053 -3.800 1.00 55.00 H new ATOM 0 HG LEU A 32 -11.095 -4.301 -5.179 1.00 52.12 H new ATOM 0 HD11 LEU A 32 -12.520 -2.433 -4.423 1.00 60.43 H new ATOM 0 HD12 LEU A 32 -13.384 -3.524 -5.532 1.00 60.43 H new ATOM 0 HD13 LEU A 32 -13.698 -3.602 -3.783 1.00 60.43 H new ATOM 0 HD21 LEU A 32 -10.755 -3.279 -2.956 1.00 15.24 H new ATOM 0 HD22 LEU A 32 -11.849 -4.488 -2.242 1.00 15.24 H new ATOM 0 HD23 LEU A 32 -10.309 -5.002 -2.972 1.00 15.24 H new ATOM 448 N PRO A 33 -12.573 -9.027 -5.422 1.00 71.44 N ATOM 449 CA PRO A 33 -13.110 -10.387 -5.371 1.00 72.24 C ATOM 450 C PRO A 33 -12.046 -11.411 -4.943 1.00 72.14 C ATOM 451 O PRO A 33 -12.346 -12.348 -4.214 1.00 4.21 O ATOM 452 CB PRO A 33 -13.577 -10.670 -6.815 1.00 72.22 C ATOM 453 CG PRO A 33 -12.936 -9.612 -7.644 1.00 52.23 C ATOM 454 CD PRO A 33 -12.803 -8.420 -6.750 1.00 23.04 C ATOM 0 HA PRO A 33 -13.912 -10.472 -4.638 1.00 72.24 H new ATOM 0 HB2 PRO A 33 -13.272 -11.665 -7.140 1.00 72.22 H new ATOM 0 HB3 PRO A 33 -14.663 -10.628 -6.893 1.00 72.22 H new ATOM 0 HG2 PRO A 33 -11.962 -9.938 -8.009 1.00 52.23 H new ATOM 0 HG3 PRO A 33 -13.543 -9.379 -8.519 1.00 52.23 H new ATOM 0 HD2 PRO A 33 -11.973 -7.780 -7.051 1.00 23.04 H new ATOM 0 HD3 PRO A 33 -13.702 -7.804 -6.762 1.00 23.04 H new ATOM 462 N ARG A 34 -10.798 -11.196 -5.373 1.00 44.14 N ATOM 463 CA ARG A 34 -9.698 -12.085 -5.049 1.00 52.33 C ATOM 464 C ARG A 34 -9.372 -12.035 -3.554 1.00 64.22 C ATOM 465 O ARG A 34 -9.056 -13.043 -2.949 1.00 50.25 O ATOM 466 CB ARG A 34 -8.458 -11.704 -5.865 1.00 53.24 C ATOM 467 CG ARG A 34 -7.340 -12.731 -5.828 1.00 32.32 C ATOM 468 CD ARG A 34 -7.860 -14.053 -6.333 1.00 34.15 C ATOM 469 NE ARG A 34 -6.818 -15.061 -6.528 1.00 22.32 N ATOM 470 CZ ARG A 34 -7.059 -16.369 -6.677 1.00 25.20 C ATOM 471 NH1 ARG A 34 -8.307 -16.842 -6.569 1.00 30.24 N ATOM 472 NH2 ARG A 34 -6.052 -17.207 -6.910 1.00 73.14 N ATOM 0 H ARG A 34 -10.532 -10.401 -5.953 1.00 44.14 H new ATOM 0 HA ARG A 34 -9.998 -13.102 -5.300 1.00 52.33 H new ATOM 0 HB2 ARG A 34 -8.755 -11.546 -6.902 1.00 53.24 H new ATOM 0 HB3 ARG A 34 -8.073 -10.753 -5.496 1.00 53.24 H new ATOM 0 HG2 ARG A 34 -6.504 -12.397 -6.443 1.00 32.32 H new ATOM 0 HG3 ARG A 34 -6.964 -12.840 -4.811 1.00 32.32 H new ATOM 0 HD2 ARG A 34 -8.596 -14.437 -5.627 1.00 34.15 H new ATOM 0 HD3 ARG A 34 -8.378 -13.892 -7.278 1.00 34.15 H new ATOM 0 HE ARG A 34 -5.848 -14.748 -6.552 1.00 22.32 H new ATOM 0 HH11 ARG A 34 -9.079 -16.205 -6.372 1.00 30.24 H new ATOM 0 HH12 ARG A 34 -8.486 -17.840 -6.683 1.00 30.24 H new ATOM 0 HH21 ARG A 34 -5.098 -16.852 -6.975 1.00 73.14 H new ATOM 0 HH22 ARG A 34 -6.234 -18.204 -7.024 1.00 73.14 H new ATOM 486 N VAL A 35 -9.413 -10.859 -2.977 1.00 51.34 N ATOM 487 CA VAL A 35 -9.157 -10.719 -1.545 1.00 61.41 C ATOM 488 C VAL A 35 -10.298 -11.314 -0.744 1.00 23.20 C ATOM 489 O VAL A 35 -10.079 -11.920 0.315 1.00 32.22 O ATOM 490 CB VAL A 35 -8.834 -9.265 -1.102 1.00 14.42 C ATOM 491 CG1 VAL A 35 -8.549 -9.180 0.394 1.00 72.11 C ATOM 492 CG2 VAL A 35 -7.661 -8.719 -1.884 1.00 74.11 C ATOM 0 H VAL A 35 -9.618 -9.986 -3.463 1.00 51.34 H new ATOM 0 HA VAL A 35 -8.248 -11.283 -1.335 1.00 61.41 H new ATOM 0 HB VAL A 35 -9.716 -8.659 -1.310 1.00 14.42 H new ATOM 0 HG11 VAL A 35 -8.328 -8.147 0.664 1.00 72.11 H new ATOM 0 HG12 VAL A 35 -9.422 -9.522 0.951 1.00 72.11 H new ATOM 0 HG13 VAL A 35 -7.694 -9.810 0.638 1.00 72.11 H new ATOM 0 HG21 VAL A 35 -7.450 -7.700 -1.560 1.00 74.11 H new ATOM 0 HG22 VAL A 35 -6.785 -9.344 -1.710 1.00 74.11 H new ATOM 0 HG23 VAL A 35 -7.901 -8.719 -2.947 1.00 74.11 H new ATOM 502 N ALA A 36 -11.508 -11.143 -1.256 1.00 23.42 N ATOM 503 CA ALA A 36 -12.683 -11.756 -0.663 1.00 14.22 C ATOM 504 C ALA A 36 -12.462 -13.266 -0.567 1.00 42.41 C ATOM 505 O ALA A 36 -12.817 -13.906 0.417 1.00 12.23 O ATOM 506 CB ALA A 36 -13.919 -11.448 -1.496 1.00 35.42 C ATOM 0 H ALA A 36 -11.700 -10.581 -2.085 1.00 23.42 H new ATOM 0 HA ALA A 36 -12.842 -11.350 0.336 1.00 14.22 H new ATOM 0 HB1 ALA A 36 -14.792 -11.914 -1.039 1.00 35.42 H new ATOM 0 HB2 ALA A 36 -14.067 -10.369 -1.543 1.00 35.42 H new ATOM 0 HB3 ALA A 36 -13.785 -11.840 -2.504 1.00 35.42 H new ATOM 512 N GLU A 37 -11.817 -13.797 -1.590 1.00 52.25 N ATOM 513 CA GLU A 37 -11.434 -15.188 -1.662 1.00 71.04 C ATOM 514 C GLU A 37 -10.346 -15.531 -0.647 1.00 71.11 C ATOM 515 O GLU A 37 -10.436 -16.534 0.059 1.00 33.32 O ATOM 516 CB GLU A 37 -10.909 -15.483 -3.051 1.00 23.21 C ATOM 517 CG GLU A 37 -11.949 -15.399 -4.132 1.00 21.22 C ATOM 518 CD GLU A 37 -11.512 -15.973 -5.448 1.00 61.25 C ATOM 519 OE1 GLU A 37 -10.586 -15.446 -6.089 1.00 63.44 O ATOM 520 OE2 GLU A 37 -12.139 -16.947 -5.890 1.00 55.33 O ATOM 0 H GLU A 37 -11.541 -13.258 -2.410 1.00 52.25 H new ATOM 0 HA GLU A 37 -12.314 -15.790 -1.437 1.00 71.04 H new ATOM 0 HB2 GLU A 37 -10.105 -14.783 -3.280 1.00 23.21 H new ATOM 0 HB3 GLU A 37 -10.473 -16.482 -3.058 1.00 23.21 H new ATOM 0 HG2 GLU A 37 -12.846 -15.921 -3.800 1.00 21.22 H new ATOM 0 HG3 GLU A 37 -12.224 -14.354 -4.277 1.00 21.22 H new ATOM 527 N LEU A 38 -9.355 -14.674 -0.570 1.00 50.51 N ATOM 528 CA LEU A 38 -8.194 -14.865 0.280 1.00 72.23 C ATOM 529 C LEU A 38 -8.564 -14.865 1.767 1.00 74.22 C ATOM 530 O LEU A 38 -8.130 -15.732 2.526 1.00 33.14 O ATOM 531 CB LEU A 38 -7.167 -13.763 -0.008 1.00 75.55 C ATOM 532 CG LEU A 38 -5.849 -13.837 0.760 1.00 55.02 C ATOM 533 CD1 LEU A 38 -5.051 -15.075 0.364 1.00 72.34 C ATOM 534 CD2 LEU A 38 -5.037 -12.573 0.546 1.00 54.42 C ATOM 0 H LEU A 38 -9.329 -13.806 -1.105 1.00 50.51 H new ATOM 0 HA LEU A 38 -7.767 -15.842 0.054 1.00 72.23 H new ATOM 0 HB2 LEU A 38 -6.941 -13.779 -1.074 1.00 75.55 H new ATOM 0 HB3 LEU A 38 -7.632 -12.800 0.205 1.00 75.55 H new ATOM 0 HG LEU A 38 -6.079 -13.919 1.822 1.00 55.02 H new ATOM 0 HD11 LEU A 38 -4.118 -15.102 0.926 1.00 72.34 H new ATOM 0 HD12 LEU A 38 -5.633 -15.969 0.585 1.00 72.34 H new ATOM 0 HD13 LEU A 38 -4.831 -15.040 -0.703 1.00 72.34 H new ATOM 0 HD21 LEU A 38 -4.101 -12.643 1.101 1.00 54.42 H new ATOM 0 HD22 LEU A 38 -4.821 -12.454 -0.516 1.00 54.42 H new ATOM 0 HD23 LEU A 38 -5.604 -11.712 0.899 1.00 54.42 H new ATOM 546 N LEU A 39 -9.364 -13.907 2.174 1.00 13.45 N ATOM 547 CA LEU A 39 -9.722 -13.781 3.581 1.00 41.32 C ATOM 548 C LEU A 39 -11.024 -14.488 3.918 1.00 41.44 C ATOM 549 O LEU A 39 -11.371 -14.642 5.099 1.00 30.54 O ATOM 550 CB LEU A 39 -9.777 -12.309 3.998 1.00 30.23 C ATOM 551 CG LEU A 39 -8.463 -11.522 3.894 1.00 60.03 C ATOM 552 CD1 LEU A 39 -8.678 -10.072 4.292 1.00 73.10 C ATOM 553 CD2 LEU A 39 -7.382 -12.153 4.764 1.00 54.13 C ATOM 0 H LEU A 39 -9.780 -13.205 1.562 1.00 13.45 H new ATOM 0 HA LEU A 39 -8.938 -14.278 4.152 1.00 41.32 H new ATOM 0 HB2 LEU A 39 -10.525 -11.808 3.384 1.00 30.23 H new ATOM 0 HB3 LEU A 39 -10.125 -12.259 5.030 1.00 30.23 H new ATOM 0 HG LEU A 39 -8.131 -11.554 2.856 1.00 60.03 H new ATOM 0 HD11 LEU A 39 -7.736 -9.529 4.212 1.00 73.10 H new ATOM 0 HD12 LEU A 39 -9.415 -9.618 3.630 1.00 73.10 H new ATOM 0 HD13 LEU A 39 -9.037 -10.026 5.320 1.00 73.10 H new ATOM 0 HD21 LEU A 39 -6.461 -11.578 4.674 1.00 54.13 H new ATOM 0 HD22 LEU A 39 -7.708 -12.156 5.804 1.00 54.13 H new ATOM 0 HD23 LEU A 39 -7.204 -13.177 4.437 1.00 54.13 H new ATOM 565 N GLY A 40 -11.739 -14.920 2.895 1.00 51.54 N ATOM 566 CA GLY A 40 -13.011 -15.594 3.095 1.00 3.11 C ATOM 567 C GLY A 40 -14.064 -14.637 3.616 1.00 21.23 C ATOM 568 O GLY A 40 -14.976 -15.031 4.351 1.00 22.14 O ATOM 0 H GLY A 40 -11.462 -14.817 1.919 1.00 51.54 H new ATOM 0 HA2 GLY A 40 -13.346 -16.030 2.154 1.00 3.11 H new ATOM 0 HA3 GLY A 40 -12.883 -16.416 3.799 1.00 3.11 H new ATOM 572 N VAL A 41 -13.931 -13.389 3.240 1.00 4.11 N ATOM 573 CA VAL A 41 -14.823 -12.332 3.700 1.00 4.13 C ATOM 574 C VAL A 41 -15.418 -11.634 2.490 1.00 1.02 C ATOM 575 O VAL A 41 -14.847 -11.708 1.427 1.00 44.22 O ATOM 576 CB VAL A 41 -14.073 -11.278 4.599 1.00 1.03 C ATOM 577 CG1 VAL A 41 -13.402 -11.939 5.789 1.00 1.51 C ATOM 578 CG2 VAL A 41 -13.061 -10.458 3.798 1.00 64.12 C ATOM 0 H VAL A 41 -13.201 -13.068 2.604 1.00 4.11 H new ATOM 0 HA VAL A 41 -15.605 -12.785 4.309 1.00 4.13 H new ATOM 0 HB VAL A 41 -14.832 -10.591 4.974 1.00 1.03 H new ATOM 0 HG11 VAL A 41 -12.894 -11.182 6.387 1.00 1.51 H new ATOM 0 HG12 VAL A 41 -14.154 -12.439 6.399 1.00 1.51 H new ATOM 0 HG13 VAL A 41 -12.675 -12.671 5.437 1.00 1.51 H new ATOM 0 HG21 VAL A 41 -12.568 -9.744 4.458 1.00 64.12 H new ATOM 0 HG22 VAL A 41 -12.316 -11.124 3.362 1.00 64.12 H new ATOM 0 HG23 VAL A 41 -13.577 -9.920 3.002 1.00 64.12 H new ATOM 588 N PRO A 42 -16.577 -10.979 2.614 1.00 54.00 N ATOM 589 CA PRO A 42 -17.156 -10.237 1.495 1.00 34.30 C ATOM 590 C PRO A 42 -16.302 -9.012 1.124 1.00 1.54 C ATOM 591 O PRO A 42 -15.561 -8.465 1.975 1.00 4.31 O ATOM 592 CB PRO A 42 -18.520 -9.776 2.028 1.00 5.33 C ATOM 593 CG PRO A 42 -18.367 -9.785 3.511 1.00 22.12 C ATOM 594 CD PRO A 42 -17.434 -10.922 3.817 1.00 1.20 C ATOM 0 HA PRO A 42 -17.221 -10.846 0.594 1.00 34.30 H new ATOM 0 HB2 PRO A 42 -18.773 -8.781 1.662 1.00 5.33 H new ATOM 0 HB3 PRO A 42 -19.318 -10.446 1.708 1.00 5.33 H new ATOM 0 HG2 PRO A 42 -17.961 -8.839 3.868 1.00 22.12 H new ATOM 0 HG3 PRO A 42 -19.329 -9.925 4.003 1.00 22.12 H new ATOM 0 HD2 PRO A 42 -16.852 -10.735 4.719 1.00 1.20 H new ATOM 0 HD3 PRO A 42 -17.973 -11.856 3.973 1.00 1.20 H new ATOM 602 N VAL A 43 -16.436 -8.566 -0.118 1.00 22.41 N ATOM 603 CA VAL A 43 -15.727 -7.388 -0.626 1.00 40.32 C ATOM 604 C VAL A 43 -16.043 -6.162 0.237 1.00 52.24 C ATOM 605 O VAL A 43 -15.190 -5.300 0.458 1.00 23.20 O ATOM 606 CB VAL A 43 -16.074 -7.111 -2.122 1.00 33.44 C ATOM 607 CG1 VAL A 43 -15.475 -5.797 -2.595 1.00 14.24 C ATOM 608 CG2 VAL A 43 -15.578 -8.245 -3.002 1.00 0.41 C ATOM 0 H VAL A 43 -17.041 -9.010 -0.809 1.00 22.41 H new ATOM 0 HA VAL A 43 -14.658 -7.592 -0.569 1.00 40.32 H new ATOM 0 HB VAL A 43 -17.159 -7.043 -2.200 1.00 33.44 H new ATOM 0 HG11 VAL A 43 -15.735 -5.634 -3.641 1.00 14.24 H new ATOM 0 HG12 VAL A 43 -15.869 -4.979 -1.991 1.00 14.24 H new ATOM 0 HG13 VAL A 43 -14.390 -5.834 -2.493 1.00 14.24 H new ATOM 0 HG21 VAL A 43 -15.829 -8.035 -4.042 1.00 0.41 H new ATOM 0 HG22 VAL A 43 -14.497 -8.338 -2.901 1.00 0.41 H new ATOM 0 HG23 VAL A 43 -16.052 -9.177 -2.696 1.00 0.41 H new ATOM 618 N SER A 44 -17.257 -6.122 0.748 1.00 61.13 N ATOM 619 CA SER A 44 -17.700 -5.057 1.612 1.00 10.53 C ATOM 620 C SER A 44 -16.779 -4.938 2.859 1.00 5.34 C ATOM 621 O SER A 44 -16.423 -3.826 3.262 1.00 0.01 O ATOM 622 CB SER A 44 -19.165 -5.299 2.015 1.00 74.43 C ATOM 623 OG SER A 44 -19.703 -4.227 2.769 1.00 4.10 O ATOM 0 H SER A 44 -17.965 -6.834 0.572 1.00 61.13 H new ATOM 0 HA SER A 44 -17.639 -4.110 1.076 1.00 10.53 H new ATOM 0 HB2 SER A 44 -19.766 -5.446 1.118 1.00 74.43 H new ATOM 0 HB3 SER A 44 -19.232 -6.218 2.597 1.00 74.43 H new ATOM 0 HG SER A 44 -20.634 -4.425 3.000 1.00 4.10 H new ATOM 629 N LYS A 45 -16.365 -6.085 3.442 1.00 34.50 N ATOM 630 CA LYS A 45 -15.469 -6.060 4.599 1.00 51.43 C ATOM 631 C LYS A 45 -14.078 -5.608 4.177 1.00 31.42 C ATOM 632 O LYS A 45 -13.397 -4.901 4.911 1.00 14.32 O ATOM 633 CB LYS A 45 -15.392 -7.411 5.323 1.00 4.21 C ATOM 634 CG LYS A 45 -14.590 -7.343 6.619 1.00 21.41 C ATOM 635 CD LYS A 45 -14.535 -8.681 7.331 1.00 24.24 C ATOM 636 CE LYS A 45 -13.732 -8.595 8.625 1.00 72.11 C ATOM 637 NZ LYS A 45 -14.336 -7.674 9.614 1.00 71.31 N ATOM 0 H LYS A 45 -16.635 -7.018 3.131 1.00 34.50 H new ATOM 0 HA LYS A 45 -15.887 -5.346 5.308 1.00 51.43 H new ATOM 0 HB2 LYS A 45 -16.402 -7.758 5.544 1.00 4.21 H new ATOM 0 HB3 LYS A 45 -14.940 -8.148 4.660 1.00 4.21 H new ATOM 0 HG2 LYS A 45 -13.576 -7.009 6.399 1.00 21.41 H new ATOM 0 HG3 LYS A 45 -15.035 -6.600 7.281 1.00 21.41 H new ATOM 0 HD2 LYS A 45 -15.548 -9.018 7.552 1.00 24.24 H new ATOM 0 HD3 LYS A 45 -14.088 -9.426 6.673 1.00 24.24 H new ATOM 0 HE2 LYS A 45 -13.651 -9.590 9.064 1.00 72.11 H new ATOM 0 HE3 LYS A 45 -12.719 -8.263 8.397 1.00 72.11 H new ATOM 0 HZ1 LYS A 45 -13.863 -7.792 10.533 1.00 71.31 H new ATOM 0 HZ2 LYS A 45 -14.222 -6.693 9.289 1.00 71.31 H new ATOM 0 HZ3 LYS A 45 -15.348 -7.889 9.716 1.00 71.31 H new ATOM 651 N VAL A 46 -13.672 -6.014 2.979 1.00 2.43 N ATOM 652 CA VAL A 46 -12.372 -5.628 2.427 1.00 32.44 C ATOM 653 C VAL A 46 -12.317 -4.105 2.285 1.00 32.30 C ATOM 654 O VAL A 46 -11.340 -3.458 2.683 1.00 43.23 O ATOM 655 CB VAL A 46 -12.114 -6.292 1.040 1.00 30.44 C ATOM 656 CG1 VAL A 46 -10.753 -5.893 0.486 1.00 21.04 C ATOM 657 CG2 VAL A 46 -12.226 -7.811 1.132 1.00 55.31 C ATOM 0 H VAL A 46 -14.225 -6.613 2.367 1.00 2.43 H new ATOM 0 HA VAL A 46 -11.596 -5.973 3.111 1.00 32.44 H new ATOM 0 HB VAL A 46 -12.881 -5.932 0.354 1.00 30.44 H new ATOM 0 HG11 VAL A 46 -10.600 -6.371 -0.482 1.00 21.04 H new ATOM 0 HG12 VAL A 46 -10.712 -4.810 0.367 1.00 21.04 H new ATOM 0 HG13 VAL A 46 -9.972 -6.212 1.176 1.00 21.04 H new ATOM 0 HG21 VAL A 46 -12.042 -8.249 0.151 1.00 55.31 H new ATOM 0 HG22 VAL A 46 -11.490 -8.188 1.842 1.00 55.31 H new ATOM 0 HG23 VAL A 46 -13.227 -8.082 1.468 1.00 55.31 H new ATOM 667 N ALA A 47 -13.404 -3.550 1.768 1.00 33.14 N ATOM 668 CA ALA A 47 -13.561 -2.113 1.617 1.00 11.44 C ATOM 669 C ALA A 47 -13.500 -1.429 2.982 1.00 41.22 C ATOM 670 O ALA A 47 -12.937 -0.342 3.123 1.00 43.20 O ATOM 671 CB ALA A 47 -14.877 -1.799 0.917 1.00 23.32 C ATOM 0 H ALA A 47 -14.206 -4.089 1.440 1.00 33.14 H new ATOM 0 HA ALA A 47 -12.745 -1.731 1.004 1.00 11.44 H new ATOM 0 HB1 ALA A 47 -14.983 -0.720 0.810 1.00 23.32 H new ATOM 0 HB2 ALA A 47 -14.885 -2.264 -0.069 1.00 23.32 H new ATOM 0 HB3 ALA A 47 -15.706 -2.188 1.509 1.00 23.32 H new ATOM 677 N GLN A 48 -14.058 -2.090 3.992 1.00 63.32 N ATOM 678 CA GLN A 48 -14.030 -1.576 5.353 1.00 33.35 C ATOM 679 C GLN A 48 -12.616 -1.475 5.867 1.00 63.32 C ATOM 680 O GLN A 48 -12.258 -0.478 6.424 1.00 44.32 O ATOM 681 CB GLN A 48 -14.862 -2.414 6.317 1.00 5.13 C ATOM 682 CG GLN A 48 -16.346 -2.352 6.081 1.00 20.43 C ATOM 683 CD GLN A 48 -17.111 -3.155 7.097 1.00 75.14 C ATOM 684 OE1 GLN A 48 -17.389 -4.342 6.901 1.00 23.20 O ATOM 685 NE2 GLN A 48 -17.421 -2.542 8.202 1.00 30.41 N ATOM 0 H GLN A 48 -14.536 -2.985 3.891 1.00 63.32 H new ATOM 0 HA GLN A 48 -14.473 -0.581 5.308 1.00 33.35 H new ATOM 0 HB2 GLN A 48 -14.539 -3.453 6.246 1.00 5.13 H new ATOM 0 HB3 GLN A 48 -14.655 -2.085 7.335 1.00 5.13 H new ATOM 0 HG2 GLN A 48 -16.676 -1.314 6.116 1.00 20.43 H new ATOM 0 HG3 GLN A 48 -16.570 -2.724 5.081 1.00 20.43 H new ATOM 0 HE21 GLN A 48 -17.174 -1.560 8.327 1.00 30.41 H new ATOM 0 HE22 GLN A 48 -17.911 -3.043 8.943 1.00 30.41 H new ATOM 694 N GLN A 49 -11.806 -2.502 5.610 1.00 23.20 N ATOM 695 CA GLN A 49 -10.404 -2.553 6.082 1.00 4.13 C ATOM 696 C GLN A 49 -9.628 -1.365 5.554 1.00 43.05 C ATOM 697 O GLN A 49 -8.857 -0.719 6.286 1.00 74.51 O ATOM 698 CB GLN A 49 -9.729 -3.839 5.612 1.00 15.22 C ATOM 699 CG GLN A 49 -10.433 -5.112 6.049 1.00 71.34 C ATOM 700 CD GLN A 49 -10.408 -5.360 7.554 1.00 31.22 C ATOM 701 OE1 GLN A 49 -10.356 -4.430 8.375 1.00 13.23 O ATOM 702 NE2 GLN A 49 -10.476 -6.605 7.933 1.00 34.14 N ATOM 0 H GLN A 49 -12.091 -3.321 5.073 1.00 23.20 H new ATOM 0 HA GLN A 49 -10.412 -2.527 7.172 1.00 4.13 H new ATOM 0 HB2 GLN A 49 -9.669 -3.827 4.524 1.00 15.22 H new ATOM 0 HB3 GLN A 49 -8.706 -3.856 5.988 1.00 15.22 H new ATOM 0 HG2 GLN A 49 -11.470 -5.072 5.717 1.00 71.34 H new ATOM 0 HG3 GLN A 49 -9.970 -5.960 5.545 1.00 71.34 H new ATOM 0 HE21 GLN A 49 -10.518 -7.349 7.236 1.00 34.14 H new ATOM 0 HE22 GLN A 49 -10.488 -6.836 8.926 1.00 34.14 H new ATOM 711 N LEU A 50 -9.884 -1.056 4.302 1.00 33.40 N ATOM 712 CA LEU A 50 -9.288 0.086 3.628 1.00 72.11 C ATOM 713 C LEU A 50 -9.710 1.367 4.346 1.00 32.23 C ATOM 714 O LEU A 50 -8.900 2.234 4.629 1.00 41.51 O ATOM 715 CB LEU A 50 -9.773 0.112 2.165 1.00 34.54 C ATOM 716 CG LEU A 50 -9.310 1.289 1.298 1.00 12.12 C ATOM 717 CD1 LEU A 50 -7.807 1.286 1.137 1.00 43.22 C ATOM 718 CD2 LEU A 50 -9.997 1.256 -0.060 1.00 14.15 C ATOM 0 H LEU A 50 -10.519 -1.594 3.713 1.00 33.40 H new ATOM 0 HA LEU A 50 -8.201 0.010 3.645 1.00 72.11 H new ATOM 0 HB2 LEU A 50 -9.448 -0.811 1.684 1.00 34.54 H new ATOM 0 HB3 LEU A 50 -10.863 0.103 2.169 1.00 34.54 H new ATOM 0 HG LEU A 50 -9.591 2.213 1.804 1.00 12.12 H new ATOM 0 HD11 LEU A 50 -7.506 2.131 0.518 1.00 43.22 H new ATOM 0 HD12 LEU A 50 -7.336 1.368 2.117 1.00 43.22 H new ATOM 0 HD13 LEU A 50 -7.494 0.357 0.660 1.00 43.22 H new ATOM 0 HD21 LEU A 50 -9.656 2.099 -0.661 1.00 14.15 H new ATOM 0 HD22 LEU A 50 -9.751 0.324 -0.569 1.00 14.15 H new ATOM 0 HD23 LEU A 50 -11.076 1.321 0.077 1.00 14.15 H new ATOM 730 N ARG A 51 -10.973 1.431 4.692 1.00 54.23 N ATOM 731 CA ARG A 51 -11.533 2.570 5.390 1.00 25.11 C ATOM 732 C ARG A 51 -11.056 2.658 6.856 1.00 41.21 C ATOM 733 O ARG A 51 -11.006 3.758 7.438 1.00 24.45 O ATOM 734 CB ARG A 51 -13.060 2.568 5.276 1.00 2.41 C ATOM 735 CG ARG A 51 -13.532 2.718 3.834 1.00 50.15 C ATOM 736 CD ARG A 51 -15.038 2.585 3.684 1.00 11.03 C ATOM 737 NE ARG A 51 -15.788 3.636 4.397 1.00 15.22 N ATOM 738 CZ ARG A 51 -16.977 4.126 3.995 1.00 64.10 C ATOM 739 NH1 ARG A 51 -17.508 3.734 2.836 1.00 4.43 N ATOM 740 NH2 ARG A 51 -17.617 5.020 4.745 1.00 23.21 N ATOM 0 H ARG A 51 -11.648 0.691 4.497 1.00 54.23 H new ATOM 0 HA ARG A 51 -11.160 3.472 4.905 1.00 25.11 H new ATOM 0 HB2 ARG A 51 -13.452 1.639 5.690 1.00 2.41 H new ATOM 0 HB3 ARG A 51 -13.468 3.381 5.876 1.00 2.41 H new ATOM 0 HG2 ARG A 51 -13.219 3.691 3.455 1.00 50.15 H new ATOM 0 HG3 ARG A 51 -13.043 1.964 3.217 1.00 50.15 H new ATOM 0 HD2 ARG A 51 -15.296 2.619 2.625 1.00 11.03 H new ATOM 0 HD3 ARG A 51 -15.349 1.609 4.057 1.00 11.03 H new ATOM 0 HE ARG A 51 -15.380 4.017 5.251 1.00 15.22 H new ATOM 0 HH11 ARG A 51 -17.014 3.061 2.250 1.00 4.43 H new ATOM 0 HH12 ARG A 51 -18.408 4.107 2.535 1.00 4.43 H new ATOM 0 HH21 ARG A 51 -17.207 5.335 5.625 1.00 23.21 H new ATOM 0 HH22 ARG A 51 -18.517 5.391 4.440 1.00 23.21 H new ATOM 754 N GLU A 52 -10.652 1.523 7.426 1.00 23.42 N ATOM 755 CA GLU A 52 -10.192 1.475 8.815 1.00 63.11 C ATOM 756 C GLU A 52 -8.728 1.888 8.882 1.00 74.31 C ATOM 757 O GLU A 52 -8.200 2.156 9.956 1.00 73.35 O ATOM 758 CB GLU A 52 -10.265 0.038 9.368 1.00 25.42 C ATOM 759 CG GLU A 52 -11.621 -0.651 9.352 1.00 45.11 C ATOM 760 CD GLU A 52 -12.621 -0.066 10.301 1.00 3.04 C ATOM 761 OE1 GLU A 52 -12.700 -0.538 11.458 1.00 52.54 O ATOM 762 OE2 GLU A 52 -13.377 0.821 9.914 1.00 40.41 O ATOM 0 H GLU A 52 -10.634 0.623 6.947 1.00 23.42 H new ATOM 0 HA GLU A 52 -10.829 2.142 9.395 1.00 63.11 H new ATOM 0 HB2 GLU A 52 -9.568 -0.577 8.799 1.00 25.42 H new ATOM 0 HB3 GLU A 52 -9.908 0.055 10.398 1.00 25.42 H new ATOM 0 HG2 GLU A 52 -12.027 -0.605 8.341 1.00 45.11 H new ATOM 0 HG3 GLU A 52 -11.483 -1.705 9.593 1.00 45.11 H new ATOM 769 N GLY A 53 -8.083 1.947 7.733 1.00 43.21 N ATOM 770 CA GLY A 53 -6.671 2.228 7.695 1.00 74.11 C ATOM 771 C GLY A 53 -5.863 1.004 8.071 1.00 15.24 C ATOM 772 O GLY A 53 -4.814 1.104 8.717 1.00 22.32 O ATOM 0 H GLY A 53 -8.516 1.804 6.821 1.00 43.21 H new ATOM 0 HA2 GLY A 53 -6.390 2.561 6.696 1.00 74.11 H new ATOM 0 HA3 GLY A 53 -6.441 3.044 8.380 1.00 74.11 H new ATOM 776 N HIS A 54 -6.376 -0.166 7.713 1.00 2.10 N ATOM 777 CA HIS A 54 -5.676 -1.420 7.985 1.00 71.10 C ATOM 778 C HIS A 54 -4.946 -1.888 6.751 1.00 53.11 C ATOM 779 O HIS A 54 -4.068 -2.741 6.827 1.00 42.21 O ATOM 780 CB HIS A 54 -6.638 -2.543 8.438 1.00 74.43 C ATOM 781 CG HIS A 54 -7.305 -2.337 9.765 1.00 1.41 C ATOM 782 ND1 HIS A 54 -8.555 -2.831 10.080 1.00 45.32 N ATOM 783 CD2 HIS A 54 -6.856 -1.723 10.888 1.00 1.52 C ATOM 784 CE1 HIS A 54 -8.822 -2.514 11.346 1.00 43.12 C ATOM 785 NE2 HIS A 54 -7.824 -1.833 11.890 1.00 54.33 N ATOM 0 H HIS A 54 -7.271 -0.276 7.235 1.00 2.10 H new ATOM 0 HA HIS A 54 -4.974 -1.217 8.794 1.00 71.10 H new ATOM 0 HB2 HIS A 54 -7.411 -2.661 7.679 1.00 74.43 H new ATOM 0 HB3 HIS A 54 -6.081 -3.479 8.474 1.00 74.43 H new ATOM 0 HD1 HIS A 54 -9.169 -3.350 9.451 1.00 45.32 H new ATOM 0 HD2 HIS A 54 -5.902 -1.228 10.991 1.00 1.52 H new ATOM 0 HE1 HIS A 54 -9.733 -2.778 11.862 1.00 43.12 H new ATOM 793 N LEU A 55 -5.306 -1.320 5.623 1.00 21.11 N ATOM 794 CA LEU A 55 -4.777 -1.727 4.351 1.00 24.51 C ATOM 795 C LEU A 55 -5.034 -0.599 3.368 1.00 11.22 C ATOM 796 O LEU A 55 -5.921 0.217 3.608 1.00 22.12 O ATOM 797 CB LEU A 55 -5.519 -3.006 3.912 1.00 65.30 C ATOM 798 CG LEU A 55 -5.038 -3.714 2.647 1.00 31.24 C ATOM 799 CD1 LEU A 55 -3.603 -4.188 2.806 1.00 45.35 C ATOM 800 CD2 LEU A 55 -5.951 -4.883 2.343 1.00 40.02 C ATOM 0 H LEU A 55 -5.980 -0.557 5.567 1.00 21.11 H new ATOM 0 HA LEU A 55 -3.708 -1.934 4.400 1.00 24.51 H new ATOM 0 HB2 LEU A 55 -5.469 -3.720 4.734 1.00 65.30 H new ATOM 0 HB3 LEU A 55 -6.570 -2.752 3.774 1.00 65.30 H new ATOM 0 HG LEU A 55 -5.068 -3.010 1.816 1.00 31.24 H new ATOM 0 HD11 LEU A 55 -3.282 -4.689 1.893 1.00 45.35 H new ATOM 0 HD12 LEU A 55 -2.956 -3.332 2.997 1.00 45.35 H new ATOM 0 HD13 LEU A 55 -3.540 -4.884 3.643 1.00 45.35 H new ATOM 0 HD21 LEU A 55 -5.607 -5.388 1.440 1.00 40.02 H new ATOM 0 HD22 LEU A 55 -5.936 -5.583 3.178 1.00 40.02 H new ATOM 0 HD23 LEU A 55 -6.968 -4.521 2.191 1.00 40.02 H new ATOM 812 N VAL A 56 -4.257 -0.534 2.301 1.00 34.21 N ATOM 813 CA VAL A 56 -4.438 0.470 1.266 1.00 12.35 C ATOM 814 C VAL A 56 -4.484 -0.206 -0.087 1.00 11.02 C ATOM 815 O VAL A 56 -3.976 -1.325 -0.243 1.00 34.11 O ATOM 816 CB VAL A 56 -3.356 1.596 1.270 1.00 53.10 C ATOM 817 CG1 VAL A 56 -3.479 2.473 2.503 1.00 55.15 C ATOM 818 CG2 VAL A 56 -1.954 1.019 1.174 1.00 72.31 C ATOM 0 H VAL A 56 -3.483 -1.175 2.127 1.00 34.21 H new ATOM 0 HA VAL A 56 -5.382 0.970 1.481 1.00 12.35 H new ATOM 0 HB VAL A 56 -3.532 2.213 0.389 1.00 53.10 H new ATOM 0 HG11 VAL A 56 -2.712 3.247 2.477 1.00 55.15 H new ATOM 0 HG12 VAL A 56 -4.464 2.939 2.521 1.00 55.15 H new ATOM 0 HG13 VAL A 56 -3.349 1.864 3.397 1.00 55.15 H new ATOM 0 HG21 VAL A 56 -1.226 1.830 1.179 1.00 72.31 H new ATOM 0 HG22 VAL A 56 -1.772 0.362 2.025 1.00 72.31 H new ATOM 0 HG23 VAL A 56 -1.857 0.450 0.249 1.00 72.31 H new ATOM 828 N ALA A 57 -5.080 0.454 -1.045 1.00 14.00 N ATOM 829 CA ALA A 57 -5.269 -0.100 -2.357 1.00 71.12 C ATOM 830 C ALA A 57 -5.039 0.969 -3.389 1.00 20.32 C ATOM 831 O ALA A 57 -5.071 2.154 -3.067 1.00 21.44 O ATOM 832 CB ALA A 57 -6.681 -0.651 -2.485 1.00 1.34 C ATOM 0 H ALA A 57 -5.450 1.398 -0.934 1.00 14.00 H new ATOM 0 HA ALA A 57 -4.558 -0.911 -2.515 1.00 71.12 H new ATOM 0 HB1 ALA A 57 -6.819 -1.070 -3.482 1.00 1.34 H new ATOM 0 HB2 ALA A 57 -6.836 -1.430 -1.739 1.00 1.34 H new ATOM 0 HB3 ALA A 57 -7.401 0.152 -2.326 1.00 1.34 H new ATOM 838 N VAL A 58 -4.811 0.560 -4.608 1.00 23.21 N ATOM 839 CA VAL A 58 -4.582 1.469 -5.706 1.00 3.31 C ATOM 840 C VAL A 58 -5.479 1.149 -6.867 1.00 12.41 C ATOM 841 O VAL A 58 -6.121 0.094 -6.899 1.00 73.20 O ATOM 842 CB VAL A 58 -3.108 1.525 -6.162 1.00 15.43 C ATOM 843 CG1 VAL A 58 -2.288 2.264 -5.136 1.00 64.53 C ATOM 844 CG2 VAL A 58 -2.550 0.121 -6.386 1.00 43.41 C ATOM 0 H VAL A 58 -4.778 -0.424 -4.873 1.00 23.21 H new ATOM 0 HA VAL A 58 -4.827 2.461 -5.327 1.00 3.31 H new ATOM 0 HB VAL A 58 -3.056 2.058 -7.112 1.00 15.43 H new ATOM 0 HG11 VAL A 58 -1.248 2.302 -5.460 1.00 64.53 H new ATOM 0 HG12 VAL A 58 -2.671 3.278 -5.026 1.00 64.53 H new ATOM 0 HG13 VAL A 58 -2.351 1.747 -4.179 1.00 64.53 H new ATOM 0 HG21 VAL A 58 -1.510 0.189 -6.707 1.00 43.41 H new ATOM 0 HG22 VAL A 58 -2.607 -0.446 -5.457 1.00 43.41 H new ATOM 0 HG23 VAL A 58 -3.134 -0.384 -7.155 1.00 43.41 H new ATOM 854 N ARG A 59 -5.553 2.050 -7.795 1.00 1.13 N ATOM 855 CA ARG A 59 -6.416 1.901 -8.920 1.00 25.20 C ATOM 856 C ARG A 59 -5.609 1.655 -10.181 1.00 43.50 C ATOM 857 O ARG A 59 -4.757 2.460 -10.567 1.00 1.41 O ATOM 858 CB ARG A 59 -7.300 3.148 -9.062 1.00 65.24 C ATOM 859 CG ARG A 59 -8.154 3.178 -10.308 1.00 75.13 C ATOM 860 CD ARG A 59 -8.978 4.443 -10.379 1.00 24.15 C ATOM 861 NE ARG A 59 -9.646 4.575 -11.677 1.00 23.40 N ATOM 862 CZ ARG A 59 -10.954 4.772 -11.869 1.00 63.01 C ATOM 863 NH1 ARG A 59 -11.800 4.811 -10.835 1.00 33.25 N ATOM 864 NH2 ARG A 59 -11.414 4.920 -13.108 1.00 44.21 N ATOM 0 H ARG A 59 -5.012 2.915 -7.792 1.00 1.13 H new ATOM 0 HA ARG A 59 -7.060 1.035 -8.766 1.00 25.20 H new ATOM 0 HB2 ARG A 59 -7.951 3.217 -8.190 1.00 65.24 H new ATOM 0 HB3 ARG A 59 -6.662 4.032 -9.054 1.00 65.24 H new ATOM 0 HG2 ARG A 59 -7.517 3.106 -11.190 1.00 75.13 H new ATOM 0 HG3 ARG A 59 -8.814 2.311 -10.320 1.00 75.13 H new ATOM 0 HD2 ARG A 59 -9.723 4.439 -9.584 1.00 24.15 H new ATOM 0 HD3 ARG A 59 -8.336 5.307 -10.209 1.00 24.15 H new ATOM 0 HE ARG A 59 -9.060 4.511 -12.509 1.00 23.40 H new ATOM 0 HH11 ARG A 59 -11.450 4.690 -9.885 1.00 33.25 H new ATOM 0 HH12 ARG A 59 -12.796 4.962 -10.996 1.00 33.25 H new ATOM 0 HH21 ARG A 59 -10.771 4.883 -13.899 1.00 44.21 H new ATOM 0 HH22 ARG A 59 -12.410 5.071 -13.268 1.00 44.21 H new ATOM 878 N ARG A 60 -5.881 0.534 -10.792 1.00 2.42 N ATOM 879 CA ARG A 60 -5.263 0.117 -12.025 1.00 2.12 C ATOM 880 C ARG A 60 -6.339 -0.132 -13.057 1.00 3.13 C ATOM 881 O ARG A 60 -7.171 -1.028 -12.870 1.00 31.23 O ATOM 882 CB ARG A 60 -4.468 -1.169 -11.824 1.00 71.31 C ATOM 883 CG ARG A 60 -4.056 -1.823 -13.131 1.00 23.03 C ATOM 884 CD ARG A 60 -3.353 -3.140 -12.901 1.00 0.11 C ATOM 885 NE ARG A 60 -2.116 -2.981 -12.147 1.00 1.01 N ATOM 886 CZ ARG A 60 -1.414 -3.964 -11.609 1.00 63.05 C ATOM 887 NH1 ARG A 60 -1.816 -5.231 -11.712 1.00 25.00 N ATOM 888 NH2 ARG A 60 -0.316 -3.665 -10.970 1.00 42.34 N ATOM 0 H ARG A 60 -6.561 -0.137 -10.435 1.00 2.42 H new ATOM 0 HA ARG A 60 -4.585 0.903 -12.358 1.00 2.12 H new ATOM 0 HB2 ARG A 60 -3.576 -0.950 -11.237 1.00 71.31 H new ATOM 0 HB3 ARG A 60 -5.066 -1.873 -11.245 1.00 71.31 H new ATOM 0 HG2 ARG A 60 -4.938 -1.985 -13.750 1.00 23.03 H new ATOM 0 HG3 ARG A 60 -3.398 -1.151 -13.682 1.00 23.03 H new ATOM 0 HD2 ARG A 60 -4.019 -3.816 -12.365 1.00 0.11 H new ATOM 0 HD3 ARG A 60 -3.133 -3.605 -13.862 1.00 0.11 H new ATOM 0 HE ARG A 60 -1.762 -2.032 -12.024 1.00 1.01 H new ATOM 0 HH11 ARG A 60 -2.677 -5.454 -12.212 1.00 25.00 H new ATOM 0 HH12 ARG A 60 -1.263 -5.977 -11.291 1.00 25.00 H new ATOM 0 HH21 ARG A 60 -0.018 -2.692 -10.895 1.00 42.34 H new ATOM 0 HH22 ARG A 60 0.244 -4.404 -10.546 1.00 42.34 H new ATOM 902 N ALA A 61 -6.348 0.680 -14.112 1.00 54.11 N ATOM 903 CA ALA A 61 -7.301 0.560 -15.233 1.00 14.20 C ATOM 904 C ALA A 61 -8.732 0.776 -14.759 1.00 12.14 C ATOM 905 O ALA A 61 -9.694 0.409 -15.439 1.00 32.42 O ATOM 906 CB ALA A 61 -7.166 -0.799 -15.917 1.00 52.33 C ATOM 0 H ALA A 61 -5.690 1.451 -14.222 1.00 54.11 H new ATOM 0 HA ALA A 61 -7.061 1.337 -15.959 1.00 14.20 H new ATOM 0 HB1 ALA A 61 -7.878 -0.865 -16.740 1.00 52.33 H new ATOM 0 HB2 ALA A 61 -6.153 -0.913 -16.304 1.00 52.33 H new ATOM 0 HB3 ALA A 61 -7.370 -1.591 -15.196 1.00 52.33 H new ATOM 912 N GLY A 62 -8.862 1.391 -13.613 1.00 22.41 N ATOM 913 CA GLY A 62 -10.152 1.610 -13.040 1.00 32.52 C ATOM 914 C GLY A 62 -10.477 0.599 -11.972 1.00 25.55 C ATOM 915 O GLY A 62 -11.397 0.796 -11.188 1.00 12.24 O ATOM 0 H GLY A 62 -8.083 1.748 -13.060 1.00 22.41 H new ATOM 0 HA2 GLY A 62 -10.193 2.613 -12.614 1.00 32.52 H new ATOM 0 HA3 GLY A 62 -10.909 1.565 -13.823 1.00 32.52 H new ATOM 919 N GLY A 63 -9.711 -0.466 -11.917 1.00 62.52 N ATOM 920 CA GLY A 63 -9.956 -1.486 -10.944 1.00 42.15 C ATOM 921 C GLY A 63 -9.217 -1.201 -9.684 1.00 5.33 C ATOM 922 O GLY A 63 -8.159 -0.565 -9.715 1.00 73.14 O ATOM 0 H GLY A 63 -8.918 -0.641 -12.535 1.00 62.52 H new ATOM 0 HA2 GLY A 63 -11.024 -1.550 -10.738 1.00 42.15 H new ATOM 0 HA3 GLY A 63 -9.649 -2.454 -11.340 1.00 42.15 H new ATOM 926 N VAL A 64 -9.741 -1.651 -8.588 1.00 72.12 N ATOM 927 CA VAL A 64 -9.095 -1.440 -7.328 1.00 22.25 C ATOM 928 C VAL A 64 -8.310 -2.688 -7.032 1.00 20.25 C ATOM 929 O VAL A 64 -8.875 -3.783 -6.925 1.00 75.12 O ATOM 930 CB VAL A 64 -10.131 -1.184 -6.193 1.00 25.25 C ATOM 931 CG1 VAL A 64 -9.436 -0.922 -4.865 1.00 10.24 C ATOM 932 CG2 VAL A 64 -11.049 -0.020 -6.548 1.00 22.21 C ATOM 0 H VAL A 64 -10.618 -2.169 -8.539 1.00 72.12 H new ATOM 0 HA VAL A 64 -8.452 -0.561 -7.377 1.00 22.25 H new ATOM 0 HB VAL A 64 -10.737 -2.084 -6.090 1.00 25.25 H new ATOM 0 HG11 VAL A 64 -10.184 -0.747 -4.091 1.00 10.24 H new ATOM 0 HG12 VAL A 64 -8.830 -1.787 -4.595 1.00 10.24 H new ATOM 0 HG13 VAL A 64 -8.796 -0.045 -4.956 1.00 10.24 H new ATOM 0 HG21 VAL A 64 -11.763 0.139 -5.740 1.00 22.21 H new ATOM 0 HG22 VAL A 64 -10.454 0.882 -6.690 1.00 22.21 H new ATOM 0 HG23 VAL A 64 -11.587 -0.248 -7.468 1.00 22.21 H new ATOM 942 N VAL A 65 -7.036 -2.528 -6.901 1.00 62.24 N ATOM 943 CA VAL A 65 -6.141 -3.630 -6.727 1.00 33.53 C ATOM 944 C VAL A 65 -5.214 -3.379 -5.562 1.00 11.45 C ATOM 945 O VAL A 65 -4.949 -2.227 -5.187 1.00 5.24 O ATOM 946 CB VAL A 65 -5.316 -3.935 -8.023 1.00 63.34 C ATOM 947 CG1 VAL A 65 -6.212 -4.501 -9.122 1.00 72.40 C ATOM 948 CG2 VAL A 65 -4.618 -2.682 -8.526 1.00 63.35 C ATOM 0 H VAL A 65 -6.577 -1.617 -6.911 1.00 62.24 H new ATOM 0 HA VAL A 65 -6.751 -4.509 -6.517 1.00 33.53 H new ATOM 0 HB VAL A 65 -4.564 -4.681 -7.766 1.00 63.34 H new ATOM 0 HG11 VAL A 65 -5.614 -4.704 -10.010 1.00 72.40 H new ATOM 0 HG12 VAL A 65 -6.673 -5.426 -8.776 1.00 72.40 H new ATOM 0 HG13 VAL A 65 -6.990 -3.778 -9.366 1.00 72.40 H new ATOM 0 HG21 VAL A 65 -4.051 -2.918 -9.427 1.00 63.35 H new ATOM 0 HG22 VAL A 65 -5.361 -1.918 -8.755 1.00 63.35 H new ATOM 0 HG23 VAL A 65 -3.940 -2.310 -7.758 1.00 63.35 H new ATOM 958 N ILE A 66 -4.754 -4.440 -4.983 1.00 40.31 N ATOM 959 CA ILE A 66 -3.901 -4.388 -3.826 1.00 4.40 C ATOM 960 C ILE A 66 -2.645 -5.203 -4.123 1.00 3.04 C ATOM 961 O ILE A 66 -2.743 -6.302 -4.667 1.00 5.45 O ATOM 962 CB ILE A 66 -4.643 -4.971 -2.574 1.00 71.54 C ATOM 963 CG1 ILE A 66 -5.965 -4.209 -2.354 1.00 43.44 C ATOM 964 CG2 ILE A 66 -3.761 -4.884 -1.326 1.00 20.54 C ATOM 965 CD1 ILE A 66 -6.827 -4.725 -1.227 1.00 21.34 C ATOM 0 H ILE A 66 -4.960 -5.387 -5.301 1.00 40.31 H new ATOM 0 HA ILE A 66 -3.634 -3.354 -3.606 1.00 4.40 H new ATOM 0 HB ILE A 66 -4.862 -6.023 -2.756 1.00 71.54 H new ATOM 0 HG12 ILE A 66 -5.734 -3.161 -2.162 1.00 43.44 H new ATOM 0 HG13 ILE A 66 -6.543 -4.244 -3.277 1.00 43.44 H new ATOM 0 HG21 ILE A 66 -4.298 -5.295 -0.471 1.00 20.54 H new ATOM 0 HG22 ILE A 66 -2.846 -5.454 -1.487 1.00 20.54 H new ATOM 0 HG23 ILE A 66 -3.510 -3.842 -1.130 1.00 20.54 H new ATOM 0 HD11 ILE A 66 -7.732 -4.122 -1.156 1.00 21.34 H new ATOM 0 HD12 ILE A 66 -7.097 -5.763 -1.421 1.00 21.34 H new ATOM 0 HD13 ILE A 66 -6.275 -4.663 -0.289 1.00 21.34 H new ATOM 977 N PRO A 67 -1.452 -4.666 -3.855 1.00 33.35 N ATOM 978 CA PRO A 67 -0.201 -5.391 -4.081 1.00 3.25 C ATOM 979 C PRO A 67 -0.085 -6.668 -3.223 1.00 21.52 C ATOM 980 O PRO A 67 -0.469 -6.679 -2.051 1.00 3.42 O ATOM 981 CB PRO A 67 0.881 -4.385 -3.680 1.00 4.22 C ATOM 982 CG PRO A 67 0.213 -3.057 -3.738 1.00 43.31 C ATOM 983 CD PRO A 67 -1.211 -3.302 -3.349 1.00 12.13 C ATOM 0 HA PRO A 67 -0.124 -5.735 -5.112 1.00 3.25 H new ATOM 0 HB2 PRO A 67 1.261 -4.592 -2.680 1.00 4.22 H new ATOM 0 HB3 PRO A 67 1.732 -4.429 -4.360 1.00 4.22 H new ATOM 0 HG2 PRO A 67 0.688 -2.350 -3.058 1.00 43.31 H new ATOM 0 HG3 PRO A 67 0.277 -2.630 -4.739 1.00 43.31 H new ATOM 0 HD2 PRO A 67 -1.353 -3.239 -2.270 1.00 12.13 H new ATOM 0 HD3 PRO A 67 -1.886 -2.576 -3.803 1.00 12.13 H new ATOM 991 N GLN A 68 0.477 -7.723 -3.838 1.00 53.31 N ATOM 992 CA GLN A 68 0.709 -9.059 -3.215 1.00 4.30 C ATOM 993 C GLN A 68 1.387 -8.917 -1.850 1.00 73.31 C ATOM 994 O GLN A 68 1.004 -9.535 -0.871 1.00 14.51 O ATOM 995 CB GLN A 68 1.673 -9.836 -4.128 1.00 44.24 C ATOM 996 CG GLN A 68 1.922 -11.309 -3.778 1.00 63.20 C ATOM 997 CD GLN A 68 0.748 -12.234 -4.082 1.00 45.52 C ATOM 998 OE1 GLN A 68 0.565 -13.251 -3.422 1.00 21.44 O ATOM 999 NE2 GLN A 68 -0.030 -11.913 -5.095 1.00 55.24 N ATOM 0 H GLN A 68 0.794 -7.680 -4.807 1.00 53.31 H new ATOM 0 HA GLN A 68 -0.248 -9.565 -3.090 1.00 4.30 H new ATOM 0 HB2 GLN A 68 1.288 -9.789 -5.147 1.00 44.24 H new ATOM 0 HB3 GLN A 68 2.633 -9.320 -4.126 1.00 44.24 H new ATOM 0 HG2 GLN A 68 2.796 -11.658 -4.328 1.00 63.20 H new ATOM 0 HG3 GLN A 68 2.162 -11.383 -2.717 1.00 63.20 H new ATOM 0 HE21 GLN A 68 0.148 -11.060 -5.625 1.00 55.24 H new ATOM 0 HE22 GLN A 68 -0.811 -12.518 -5.350 1.00 55.24 H new ATOM 1008 N VAL A 69 2.349 -8.030 -1.820 1.00 23.32 N ATOM 1009 CA VAL A 69 3.231 -7.807 -0.685 1.00 12.13 C ATOM 1010 C VAL A 69 2.579 -7.053 0.494 1.00 0.34 C ATOM 1011 O VAL A 69 3.255 -6.711 1.455 1.00 43.23 O ATOM 1012 CB VAL A 69 4.485 -7.055 -1.142 1.00 34.42 C ATOM 1013 CG1 VAL A 69 5.300 -7.907 -2.112 1.00 1.01 C ATOM 1014 CG2 VAL A 69 4.088 -5.740 -1.793 1.00 30.23 C ATOM 0 H VAL A 69 2.553 -7.418 -2.610 1.00 23.32 H new ATOM 0 HA VAL A 69 3.483 -8.798 -0.307 1.00 12.13 H new ATOM 0 HB VAL A 69 5.106 -6.846 -0.271 1.00 34.42 H new ATOM 0 HG11 VAL A 69 6.186 -7.355 -2.425 1.00 1.01 H new ATOM 0 HG12 VAL A 69 5.603 -8.831 -1.619 1.00 1.01 H new ATOM 0 HG13 VAL A 69 4.693 -8.144 -2.986 1.00 1.01 H new ATOM 0 HG21 VAL A 69 4.983 -5.209 -2.116 1.00 30.23 H new ATOM 0 HG22 VAL A 69 3.452 -5.939 -2.656 1.00 30.23 H new ATOM 0 HG23 VAL A 69 3.543 -5.128 -1.074 1.00 30.23 H new ATOM 1024 N PHE A 70 1.301 -6.766 0.410 1.00 22.32 N ATOM 1025 CA PHE A 70 0.604 -6.188 1.551 1.00 1.44 C ATOM 1026 C PHE A 70 -0.003 -7.294 2.385 1.00 11.15 C ATOM 1027 O PHE A 70 -0.530 -7.077 3.487 1.00 53.34 O ATOM 1028 CB PHE A 70 -0.439 -5.147 1.137 1.00 35.51 C ATOM 1029 CG PHE A 70 0.137 -3.767 0.934 1.00 11.50 C ATOM 1030 CD1 PHE A 70 1.014 -3.505 -0.094 1.00 52.22 C ATOM 1031 CD2 PHE A 70 -0.186 -2.739 1.805 1.00 15.54 C ATOM 1032 CE1 PHE A 70 1.553 -2.246 -0.259 1.00 24.20 C ATOM 1033 CE2 PHE A 70 0.348 -1.483 1.650 1.00 3.40 C ATOM 1034 CZ PHE A 70 1.218 -1.232 0.616 1.00 24.21 C ATOM 0 H PHE A 70 0.725 -6.917 -0.418 1.00 22.32 H new ATOM 0 HA PHE A 70 1.332 -5.648 2.156 1.00 1.44 H new ATOM 0 HB2 PHE A 70 -0.918 -5.472 0.213 1.00 35.51 H new ATOM 0 HB3 PHE A 70 -1.216 -5.099 1.900 1.00 35.51 H new ATOM 0 HD1 PHE A 70 1.283 -4.295 -0.780 1.00 52.22 H new ATOM 0 HD2 PHE A 70 -0.869 -2.928 2.620 1.00 15.54 H new ATOM 0 HE1 PHE A 70 2.237 -2.054 -1.072 1.00 24.20 H new ATOM 0 HE2 PHE A 70 0.085 -0.694 2.339 1.00 3.40 H new ATOM 0 HZ PHE A 70 1.638 -0.245 0.488 1.00 24.21 H new ATOM 1044 N PHE A 71 0.104 -8.484 1.862 1.00 51.33 N ATOM 1045 CA PHE A 71 -0.353 -9.655 2.524 1.00 61.35 C ATOM 1046 C PHE A 71 0.808 -10.583 2.714 1.00 21.15 C ATOM 1047 O PHE A 71 1.708 -10.652 1.870 1.00 61.13 O ATOM 1048 CB PHE A 71 -1.448 -10.367 1.728 1.00 42.42 C ATOM 1049 CG PHE A 71 -2.714 -9.583 1.568 1.00 52.21 C ATOM 1050 CD1 PHE A 71 -3.663 -9.564 2.574 1.00 74.14 C ATOM 1051 CD2 PHE A 71 -2.964 -8.880 0.407 1.00 22.31 C ATOM 1052 CE1 PHE A 71 -4.836 -8.863 2.422 1.00 44.44 C ATOM 1053 CE2 PHE A 71 -4.133 -8.176 0.249 1.00 64.13 C ATOM 1054 CZ PHE A 71 -5.071 -8.165 1.256 1.00 41.30 C ATOM 0 H PHE A 71 0.520 -8.661 0.948 1.00 51.33 H new ATOM 0 HA PHE A 71 -0.778 -9.364 3.484 1.00 61.35 H new ATOM 0 HB2 PHE A 71 -1.060 -10.610 0.739 1.00 42.42 H new ATOM 0 HB3 PHE A 71 -1.681 -11.311 2.220 1.00 42.42 H new ATOM 0 HD1 PHE A 71 -3.480 -10.106 3.490 1.00 74.14 H new ATOM 0 HD2 PHE A 71 -2.232 -8.883 -0.387 1.00 22.31 H new ATOM 0 HE1 PHE A 71 -5.571 -8.859 3.213 1.00 44.44 H new ATOM 0 HE2 PHE A 71 -4.316 -7.631 -0.665 1.00 64.13 H new ATOM 0 HZ PHE A 71 -5.990 -7.611 1.133 1.00 41.30 H new ATOM 1064 N THR A 72 0.805 -11.275 3.812 1.00 55.20 N ATOM 1065 CA THR A 72 1.819 -12.250 4.091 1.00 71.42 C ATOM 1066 C THR A 72 1.535 -13.486 3.252 1.00 53.01 C ATOM 1067 O THR A 72 0.456 -13.591 2.635 1.00 5.51 O ATOM 1068 CB THR A 72 1.797 -12.648 5.588 1.00 53.32 C ATOM 1069 OG1 THR A 72 0.480 -13.119 5.940 1.00 22.22 O ATOM 1070 CG2 THR A 72 2.161 -11.471 6.475 1.00 11.32 C ATOM 0 H THR A 72 0.099 -11.181 4.542 1.00 55.20 H new ATOM 0 HA THR A 72 2.797 -11.830 3.854 1.00 71.42 H new ATOM 0 HB THR A 72 2.534 -13.437 5.742 1.00 53.32 H new ATOM 0 HG1 THR A 72 -0.118 -12.353 6.066 1.00 22.22 H new ATOM 0 HG21 THR A 72 2.137 -11.781 7.520 1.00 11.32 H new ATOM 0 HG22 THR A 72 3.162 -11.122 6.223 1.00 11.32 H new ATOM 0 HG23 THR A 72 1.445 -10.664 6.320 1.00 11.32 H new ATOM 1078 N ASN A 73 2.437 -14.443 3.261 1.00 64.42 N ATOM 1079 CA ASN A 73 2.227 -15.679 2.514 1.00 15.02 C ATOM 1080 C ASN A 73 1.112 -16.490 3.182 1.00 61.42 C ATOM 1081 O ASN A 73 0.498 -17.360 2.582 1.00 10.24 O ATOM 1082 CB ASN A 73 3.528 -16.488 2.411 1.00 1.05 C ATOM 1083 CG ASN A 73 3.382 -17.752 1.577 1.00 51.24 C ATOM 1084 OD1 ASN A 73 3.082 -18.830 2.088 1.00 22.42 O ATOM 1085 ND2 ASN A 73 3.584 -17.631 0.298 1.00 34.55 N ATOM 0 H ASN A 73 3.319 -14.397 3.771 1.00 64.42 H new ATOM 0 HA ASN A 73 1.922 -15.437 1.496 1.00 15.02 H new ATOM 0 HB2 ASN A 73 4.305 -15.860 1.975 1.00 1.05 H new ATOM 0 HB3 ASN A 73 3.861 -16.758 3.413 1.00 1.05 H new ATOM 0 HD21 ASN A 73 3.495 -18.444 -0.312 1.00 34.55 H new ATOM 0 HD22 ASN A 73 3.832 -16.723 -0.096 1.00 34.55 H new ATOM 1092 N SER A 74 0.827 -16.138 4.426 1.00 74.22 N ATOM 1093 CA SER A 74 -0.221 -16.756 5.191 1.00 11.33 C ATOM 1094 C SER A 74 -1.596 -16.173 4.797 1.00 1.30 C ATOM 1095 O SER A 74 -2.632 -16.628 5.269 1.00 53.45 O ATOM 1096 CB SER A 74 0.051 -16.508 6.660 1.00 71.15 C ATOM 1097 OG SER A 74 1.403 -16.818 6.972 1.00 32.23 O ATOM 0 H SER A 74 1.328 -15.406 4.930 1.00 74.22 H new ATOM 0 HA SER A 74 -0.242 -17.827 4.990 1.00 11.33 H new ATOM 0 HB2 SER A 74 -0.156 -15.466 6.904 1.00 71.15 H new ATOM 0 HB3 SER A 74 -0.618 -17.117 7.268 1.00 71.15 H new ATOM 0 HG SER A 74 1.565 -16.652 7.924 1.00 32.23 H new ATOM 1103 N GLY A 75 -1.587 -15.139 3.961 1.00 30.34 N ATOM 1104 CA GLY A 75 -2.821 -14.566 3.458 1.00 1.31 C ATOM 1105 C GLY A 75 -3.307 -13.378 4.261 1.00 33.13 C ATOM 1106 O GLY A 75 -4.164 -12.635 3.815 1.00 21.12 O ATOM 0 H GLY A 75 -0.739 -14.685 3.621 1.00 30.34 H new ATOM 0 HA2 GLY A 75 -2.674 -14.259 2.423 1.00 1.31 H new ATOM 0 HA3 GLY A 75 -3.595 -15.334 3.456 1.00 1.31 H new ATOM 1110 N GLN A 76 -2.749 -13.190 5.429 1.00 13.22 N ATOM 1111 CA GLN A 76 -3.166 -12.111 6.296 1.00 62.30 C ATOM 1112 C GLN A 76 -2.305 -10.897 6.143 1.00 13.30 C ATOM 1113 O GLN A 76 -1.147 -10.996 5.724 1.00 24.11 O ATOM 1114 CB GLN A 76 -3.234 -12.562 7.754 1.00 25.11 C ATOM 1115 CG GLN A 76 -4.577 -13.149 8.141 1.00 35.33 C ATOM 1116 CD GLN A 76 -5.657 -12.073 8.280 1.00 23.35 C ATOM 1117 OE1 GLN A 76 -5.608 -11.014 7.635 1.00 22.24 O ATOM 1118 NE2 GLN A 76 -6.633 -12.331 9.102 1.00 33.41 N ATOM 0 H GLN A 76 -2.001 -13.772 5.806 1.00 13.22 H new ATOM 0 HA GLN A 76 -4.172 -11.828 5.986 1.00 62.30 H new ATOM 0 HB2 GLN A 76 -2.456 -13.304 7.934 1.00 25.11 H new ATOM 0 HB3 GLN A 76 -3.018 -11.711 8.400 1.00 25.11 H new ATOM 0 HG2 GLN A 76 -4.885 -13.876 7.389 1.00 35.33 H new ATOM 0 HG3 GLN A 76 -4.479 -13.687 9.084 1.00 35.33 H new ATOM 0 HE21 GLN A 76 -6.646 -13.211 9.618 1.00 33.41 H new ATOM 0 HE22 GLN A 76 -7.385 -11.654 9.230 1.00 33.41 H new ATOM 1127 N VAL A 77 -2.871 -9.763 6.467 1.00 73.12 N ATOM 1128 CA VAL A 77 -2.178 -8.493 6.406 1.00 51.34 C ATOM 1129 C VAL A 77 -1.014 -8.517 7.402 1.00 23.13 C ATOM 1130 O VAL A 77 -1.127 -9.123 8.483 1.00 71.32 O ATOM 1131 CB VAL A 77 -3.148 -7.314 6.746 1.00 60.31 C ATOM 1132 CG1 VAL A 77 -2.459 -5.961 6.619 1.00 25.55 C ATOM 1133 CG2 VAL A 77 -4.390 -7.360 5.862 1.00 1.44 C ATOM 0 H VAL A 77 -3.837 -9.690 6.785 1.00 73.12 H new ATOM 0 HA VAL A 77 -1.801 -8.339 5.395 1.00 51.34 H new ATOM 0 HB VAL A 77 -3.453 -7.437 7.785 1.00 60.31 H new ATOM 0 HG11 VAL A 77 -3.166 -5.168 6.863 1.00 25.55 H new ATOM 0 HG12 VAL A 77 -1.613 -5.917 7.306 1.00 25.55 H new ATOM 0 HG13 VAL A 77 -2.104 -5.828 5.597 1.00 25.55 H new ATOM 0 HG21 VAL A 77 -5.049 -6.530 6.117 1.00 1.44 H new ATOM 0 HG22 VAL A 77 -4.095 -7.280 4.816 1.00 1.44 H new ATOM 0 HG23 VAL A 77 -4.915 -8.302 6.020 1.00 1.44 H new ATOM 1143 N VAL A 78 0.097 -7.927 7.016 1.00 60.15 N ATOM 1144 CA VAL A 78 1.281 -7.866 7.862 1.00 5.02 C ATOM 1145 C VAL A 78 0.936 -7.128 9.167 1.00 2.50 C ATOM 1146 O VAL A 78 0.310 -6.071 9.135 1.00 3.32 O ATOM 1147 CB VAL A 78 2.440 -7.140 7.138 1.00 11.05 C ATOM 1148 CG1 VAL A 78 3.729 -7.204 7.937 1.00 11.32 C ATOM 1149 CG2 VAL A 78 2.640 -7.675 5.730 1.00 43.21 C ATOM 0 H VAL A 78 0.210 -7.475 6.109 1.00 60.15 H new ATOM 0 HA VAL A 78 1.604 -8.883 8.087 1.00 5.02 H new ATOM 0 HB VAL A 78 2.158 -6.090 7.056 1.00 11.05 H new ATOM 0 HG11 VAL A 78 4.519 -6.683 7.396 1.00 11.32 H new ATOM 0 HG12 VAL A 78 3.580 -6.729 8.907 1.00 11.32 H new ATOM 0 HG13 VAL A 78 4.015 -8.246 8.083 1.00 11.32 H new ATOM 0 HG21 VAL A 78 3.462 -7.142 5.252 1.00 43.21 H new ATOM 0 HG22 VAL A 78 2.874 -8.739 5.775 1.00 43.21 H new ATOM 0 HG23 VAL A 78 1.727 -7.529 5.152 1.00 43.21 H new ATOM 1159 N LYS A 79 1.361 -7.687 10.284 1.00 31.01 N ATOM 1160 CA LYS A 79 1.015 -7.192 11.620 1.00 44.03 C ATOM 1161 C LYS A 79 1.381 -5.711 11.839 1.00 5.20 C ATOM 1162 O LYS A 79 0.588 -4.938 12.378 1.00 33.25 O ATOM 1163 CB LYS A 79 1.688 -8.083 12.681 1.00 11.44 C ATOM 1164 CG LYS A 79 1.424 -7.691 14.126 1.00 43.41 C ATOM 1165 CD LYS A 79 -0.049 -7.783 14.478 1.00 4.41 C ATOM 1166 CE LYS A 79 -0.281 -7.476 15.948 1.00 75.11 C ATOM 1167 NZ LYS A 79 0.401 -8.452 16.831 1.00 32.34 N ATOM 0 H LYS A 79 1.965 -8.509 10.299 1.00 31.01 H new ATOM 0 HA LYS A 79 -0.069 -7.245 11.716 1.00 44.03 H new ATOM 0 HB2 LYS A 79 1.353 -9.110 12.534 1.00 11.44 H new ATOM 0 HB3 LYS A 79 2.764 -8.072 12.510 1.00 11.44 H new ATOM 0 HG2 LYS A 79 1.997 -8.340 14.788 1.00 43.41 H new ATOM 0 HG3 LYS A 79 1.775 -6.673 14.296 1.00 43.41 H new ATOM 0 HD2 LYS A 79 -0.617 -7.085 13.864 1.00 4.41 H new ATOM 0 HD3 LYS A 79 -0.419 -8.783 14.249 1.00 4.41 H new ATOM 0 HE2 LYS A 79 0.079 -6.472 16.170 1.00 75.11 H new ATOM 0 HE3 LYS A 79 -1.351 -7.484 16.156 1.00 75.11 H new ATOM 0 HZ1 LYS A 79 -0.012 -8.406 17.784 1.00 32.34 H new ATOM 0 HZ2 LYS A 79 0.280 -9.411 16.447 1.00 32.34 H new ATOM 0 HZ3 LYS A 79 1.415 -8.225 16.882 1.00 32.34 H new ATOM 1181 N SER A 80 2.542 -5.321 11.408 1.00 52.21 N ATOM 1182 CA SER A 80 2.996 -3.964 11.623 1.00 5.14 C ATOM 1183 C SER A 80 2.617 -3.039 10.444 1.00 74.23 C ATOM 1184 O SER A 80 2.963 -1.847 10.440 1.00 42.24 O ATOM 1185 CB SER A 80 4.516 -3.960 11.890 1.00 40.25 C ATOM 1186 OG SER A 80 5.005 -2.658 12.222 1.00 70.43 O ATOM 0 H SER A 80 3.199 -5.917 10.904 1.00 52.21 H new ATOM 0 HA SER A 80 2.489 -3.563 12.501 1.00 5.14 H new ATOM 0 HB2 SER A 80 4.741 -4.649 12.704 1.00 40.25 H new ATOM 0 HB3 SER A 80 5.039 -4.328 11.007 1.00 40.25 H new ATOM 0 HG SER A 80 4.508 -1.983 11.714 1.00 70.43 H new ATOM 1192 N LEU A 81 1.894 -3.575 9.469 1.00 62.42 N ATOM 1193 CA LEU A 81 1.491 -2.802 8.303 1.00 34.44 C ATOM 1194 C LEU A 81 0.493 -1.666 8.654 1.00 65.23 C ATOM 1195 O LEU A 81 0.723 -0.520 8.269 1.00 22.12 O ATOM 1196 CB LEU A 81 1.056 -3.725 7.146 1.00 73.43 C ATOM 1197 CG LEU A 81 0.686 -3.113 5.793 1.00 72.03 C ATOM 1198 CD1 LEU A 81 0.786 -4.196 4.744 1.00 32.31 C ATOM 1199 CD2 LEU A 81 -0.735 -2.561 5.792 1.00 22.43 C ATOM 0 H LEU A 81 1.575 -4.544 9.463 1.00 62.42 H new ATOM 0 HA LEU A 81 2.364 -2.267 7.930 1.00 34.44 H new ATOM 0 HB2 LEU A 81 1.864 -4.435 6.973 1.00 73.43 H new ATOM 0 HB3 LEU A 81 0.196 -4.299 7.491 1.00 73.43 H new ATOM 0 HG LEU A 81 1.368 -2.288 5.586 1.00 72.03 H new ATOM 0 HD11 LEU A 81 0.526 -3.783 3.769 1.00 32.31 H new ATOM 0 HD12 LEU A 81 1.805 -4.582 4.715 1.00 32.31 H new ATOM 0 HD13 LEU A 81 0.099 -5.005 4.990 1.00 32.31 H new ATOM 0 HD21 LEU A 81 -0.959 -2.135 4.814 1.00 22.43 H new ATOM 0 HD22 LEU A 81 -1.438 -3.366 6.007 1.00 22.43 H new ATOM 0 HD23 LEU A 81 -0.825 -1.787 6.554 1.00 22.43 H new ATOM 1211 N PRO A 82 -0.624 -1.936 9.411 1.00 41.01 N ATOM 1212 CA PRO A 82 -1.537 -0.863 9.852 1.00 33.13 C ATOM 1213 C PRO A 82 -0.785 0.202 10.660 1.00 25.14 C ATOM 1214 O PRO A 82 -1.121 1.390 10.616 1.00 54.44 O ATOM 1215 CB PRO A 82 -2.543 -1.595 10.748 1.00 54.32 C ATOM 1216 CG PRO A 82 -2.541 -2.991 10.239 1.00 13.14 C ATOM 1217 CD PRO A 82 -1.126 -3.271 9.836 1.00 1.30 C ATOM 0 HA PRO A 82 -2.002 -0.339 9.017 1.00 33.13 H new ATOM 0 HB2 PRO A 82 -2.246 -1.553 11.796 1.00 54.32 H new ATOM 0 HB3 PRO A 82 -3.535 -1.148 10.680 1.00 54.32 H new ATOM 0 HG2 PRO A 82 -2.875 -3.689 11.007 1.00 13.14 H new ATOM 0 HG3 PRO A 82 -3.219 -3.100 9.392 1.00 13.14 H new ATOM 0 HD2 PRO A 82 -0.544 -3.675 10.664 1.00 1.30 H new ATOM 0 HD3 PRO A 82 -1.074 -3.998 9.025 1.00 1.30 H new ATOM 1225 N GLY A 83 0.271 -0.235 11.349 1.00 24.13 N ATOM 1226 CA GLY A 83 1.097 0.653 12.139 1.00 65.15 C ATOM 1227 C GLY A 83 1.829 1.663 11.276 1.00 13.11 C ATOM 1228 O GLY A 83 1.876 2.855 11.609 1.00 74.42 O ATOM 0 H GLY A 83 0.569 -1.210 11.369 1.00 24.13 H new ATOM 0 HA2 GLY A 83 0.475 1.178 12.864 1.00 65.15 H new ATOM 0 HA3 GLY A 83 1.821 0.067 12.705 1.00 65.15 H new ATOM 1232 N LEU A 84 2.367 1.204 10.142 1.00 3.34 N ATOM 1233 CA LEU A 84 3.076 2.097 9.237 1.00 64.42 C ATOM 1234 C LEU A 84 2.083 3.067 8.618 1.00 63.41 C ATOM 1235 O LEU A 84 2.352 4.251 8.490 1.00 62.34 O ATOM 1236 CB LEU A 84 3.920 1.324 8.163 1.00 75.53 C ATOM 1237 CG LEU A 84 3.177 0.631 6.999 1.00 64.34 C ATOM 1238 CD1 LEU A 84 2.923 1.592 5.838 1.00 11.14 C ATOM 1239 CD2 LEU A 84 3.922 -0.604 6.520 1.00 34.34 C ATOM 0 H LEU A 84 2.324 0.232 9.836 1.00 3.34 H new ATOM 0 HA LEU A 84 3.809 2.666 9.809 1.00 64.42 H new ATOM 0 HB2 LEU A 84 4.630 2.028 7.730 1.00 75.53 H new ATOM 0 HB3 LEU A 84 4.502 0.564 8.684 1.00 75.53 H new ATOM 0 HG LEU A 84 2.209 0.313 7.386 1.00 64.34 H new ATOM 0 HD11 LEU A 84 2.399 1.067 5.039 1.00 11.14 H new ATOM 0 HD12 LEU A 84 2.314 2.428 6.184 1.00 11.14 H new ATOM 0 HD13 LEU A 84 3.875 1.968 5.462 1.00 11.14 H new ATOM 0 HD21 LEU A 84 3.371 -1.066 5.701 1.00 34.34 H new ATOM 0 HD22 LEU A 84 4.915 -0.318 6.174 1.00 34.34 H new ATOM 0 HD23 LEU A 84 4.015 -1.314 7.341 1.00 34.34 H new ATOM 1251 N LEU A 85 0.910 2.556 8.274 1.00 31.52 N ATOM 1252 CA LEU A 85 -0.131 3.378 7.688 1.00 74.40 C ATOM 1253 C LEU A 85 -0.548 4.468 8.652 1.00 74.13 C ATOM 1254 O LEU A 85 -0.802 5.583 8.247 1.00 12.11 O ATOM 1255 CB LEU A 85 -1.351 2.545 7.295 1.00 14.41 C ATOM 1256 CG LEU A 85 -1.139 1.469 6.231 1.00 14.33 C ATOM 1257 CD1 LEU A 85 -2.432 0.731 5.989 1.00 22.41 C ATOM 1258 CD2 LEU A 85 -0.631 2.078 4.927 1.00 1.13 C ATOM 0 H LEU A 85 0.658 1.575 8.392 1.00 31.52 H new ATOM 0 HA LEU A 85 0.279 3.829 6.785 1.00 74.40 H new ATOM 0 HB2 LEU A 85 -1.736 2.063 8.193 1.00 14.41 H new ATOM 0 HB3 LEU A 85 -2.126 3.225 6.941 1.00 14.41 H new ATOM 0 HG LEU A 85 -0.385 0.771 6.593 1.00 14.33 H new ATOM 0 HD11 LEU A 85 -2.277 -0.035 5.230 1.00 22.41 H new ATOM 0 HD12 LEU A 85 -2.762 0.262 6.916 1.00 22.41 H new ATOM 0 HD13 LEU A 85 -3.193 1.432 5.646 1.00 22.41 H new ATOM 0 HD21 LEU A 85 -0.489 1.289 4.188 1.00 1.13 H new ATOM 0 HD22 LEU A 85 -1.359 2.798 4.554 1.00 1.13 H new ATOM 0 HD23 LEU A 85 0.319 2.582 5.107 1.00 1.13 H new ATOM 1270 N THR A 86 -0.551 4.138 9.932 1.00 43.35 N ATOM 1271 CA THR A 86 -0.954 5.078 10.969 1.00 42.52 C ATOM 1272 C THR A 86 -0.033 6.323 11.002 1.00 13.50 C ATOM 1273 O THR A 86 -0.516 7.467 10.969 1.00 62.10 O ATOM 1274 CB THR A 86 -0.988 4.397 12.365 1.00 34.04 C ATOM 1275 OG1 THR A 86 -1.886 3.274 12.335 1.00 5.34 O ATOM 1276 CG2 THR A 86 -1.469 5.369 13.434 1.00 24.33 C ATOM 0 H THR A 86 -0.277 3.220 10.282 1.00 43.35 H new ATOM 0 HA THR A 86 -1.962 5.410 10.722 1.00 42.52 H new ATOM 0 HB THR A 86 0.024 4.071 12.605 1.00 34.04 H new ATOM 0 HG1 THR A 86 -1.458 2.526 11.868 1.00 5.34 H new ATOM 0 HG21 THR A 86 -1.484 4.868 14.402 1.00 24.33 H new ATOM 0 HG22 THR A 86 -0.794 6.224 13.479 1.00 24.33 H new ATOM 0 HG23 THR A 86 -2.474 5.712 13.188 1.00 24.33 H new ATOM 1284 N ILE A 87 1.281 6.098 11.011 1.00 51.41 N ATOM 1285 CA ILE A 87 2.235 7.199 11.068 1.00 71.02 C ATOM 1286 C ILE A 87 2.151 8.074 9.807 1.00 34.11 C ATOM 1287 O ILE A 87 2.131 9.308 9.896 1.00 45.44 O ATOM 1288 CB ILE A 87 3.713 6.710 11.451 1.00 12.32 C ATOM 1289 CG1 ILE A 87 4.793 7.840 11.469 1.00 21.13 C ATOM 1290 CG2 ILE A 87 4.177 5.526 10.624 1.00 23.10 C ATOM 1291 CD1 ILE A 87 5.339 8.277 10.106 1.00 5.52 C ATOM 0 H ILE A 87 1.704 5.170 10.980 1.00 51.41 H new ATOM 0 HA ILE A 87 1.952 7.852 11.893 1.00 71.02 H new ATOM 0 HB ILE A 87 3.613 6.379 12.485 1.00 12.32 H new ATOM 0 HG12 ILE A 87 4.367 8.713 11.963 1.00 21.13 H new ATOM 0 HG13 ILE A 87 5.630 7.504 12.081 1.00 21.13 H new ATOM 0 HG21 ILE A 87 5.184 5.241 10.929 1.00 23.10 H new ATOM 0 HG22 ILE A 87 3.500 4.686 10.779 1.00 23.10 H new ATOM 0 HG23 ILE A 87 4.181 5.799 9.569 1.00 23.10 H new ATOM 0 HD11 ILE A 87 6.080 9.064 10.246 1.00 5.52 H new ATOM 0 HD12 ILE A 87 5.805 7.425 9.610 1.00 5.52 H new ATOM 0 HD13 ILE A 87 4.522 8.653 9.490 1.00 5.52 H new ATOM 1303 N LEU A 88 2.056 7.446 8.650 1.00 2.34 N ATOM 1304 CA LEU A 88 1.914 8.190 7.399 1.00 60.22 C ATOM 1305 C LEU A 88 0.576 8.916 7.299 1.00 22.42 C ATOM 1306 O LEU A 88 0.503 10.010 6.743 1.00 53.24 O ATOM 1307 CB LEU A 88 2.143 7.333 6.161 1.00 44.52 C ATOM 1308 CG LEU A 88 3.590 6.952 5.789 1.00 62.42 C ATOM 1309 CD1 LEU A 88 4.489 8.175 5.680 1.00 74.41 C ATOM 1310 CD2 LEU A 88 4.170 5.939 6.731 1.00 63.42 C ATOM 0 H LEU A 88 2.074 6.432 8.544 1.00 2.34 H new ATOM 0 HA LEU A 88 2.706 8.939 7.428 1.00 60.22 H new ATOM 0 HB2 LEU A 88 1.579 6.409 6.288 1.00 44.52 H new ATOM 0 HB3 LEU A 88 1.709 7.857 5.310 1.00 44.52 H new ATOM 0 HG LEU A 88 3.542 6.488 4.804 1.00 62.42 H new ATOM 0 HD11 LEU A 88 5.499 7.862 5.416 1.00 74.41 H new ATOM 0 HD12 LEU A 88 4.103 8.843 4.909 1.00 74.41 H new ATOM 0 HD13 LEU A 88 4.509 8.698 6.636 1.00 74.41 H new ATOM 0 HD21 LEU A 88 5.190 5.703 6.428 1.00 63.42 H new ATOM 0 HD22 LEU A 88 4.177 6.345 7.743 1.00 63.42 H new ATOM 0 HD23 LEU A 88 3.565 5.032 6.708 1.00 63.42 H new ATOM 1322 N HIS A 89 -0.476 8.300 7.818 1.00 30.12 N ATOM 1323 CA HIS A 89 -1.818 8.890 7.814 1.00 52.34 C ATOM 1324 C HIS A 89 -1.812 10.196 8.600 1.00 45.01 C ATOM 1325 O HIS A 89 -2.337 11.217 8.149 1.00 24.31 O ATOM 1326 CB HIS A 89 -2.836 7.896 8.419 1.00 72.44 C ATOM 1327 CG HIS A 89 -4.249 8.397 8.483 1.00 64.30 C ATOM 1328 ND1 HIS A 89 -4.866 8.797 9.648 1.00 20.44 N ATOM 1329 CD2 HIS A 89 -5.168 8.550 7.500 1.00 64.25 C ATOM 1330 CE1 HIS A 89 -6.109 9.173 9.346 1.00 65.32 C ATOM 1331 NE2 HIS A 89 -6.347 9.044 8.053 1.00 31.20 N ATOM 0 H HIS A 89 -0.430 7.379 8.254 1.00 30.12 H new ATOM 0 HA HIS A 89 -2.113 9.103 6.786 1.00 52.34 H new ATOM 0 HB2 HIS A 89 -2.818 6.978 7.832 1.00 72.44 H new ATOM 0 HB3 HIS A 89 -2.512 7.636 9.427 1.00 72.44 H new ATOM 0 HD2 HIS A 89 -5.012 8.325 6.455 1.00 64.25 H new ATOM 0 HE1 HIS A 89 -6.828 9.536 10.065 1.00 65.32 H new ATOM 0 HE2 HIS A 89 -7.214 9.261 7.562 1.00 31.20 H new ATOM 1339 N ASP A 90 -1.186 10.164 9.752 1.00 70.21 N ATOM 1340 CA ASP A 90 -1.070 11.348 10.601 1.00 54.25 C ATOM 1341 C ASP A 90 -0.077 12.345 9.996 1.00 23.22 C ATOM 1342 O ASP A 90 -0.170 13.556 10.216 1.00 21.43 O ATOM 1343 CB ASP A 90 -0.654 10.946 12.019 1.00 45.31 C ATOM 1344 CG ASP A 90 -0.417 12.127 12.941 1.00 71.51 C ATOM 1345 OD1 ASP A 90 -1.390 12.621 13.564 1.00 3.24 O ATOM 1346 OD2 ASP A 90 0.754 12.560 13.079 1.00 3.02 O ATOM 0 H ASP A 90 -0.743 9.329 10.134 1.00 70.21 H new ATOM 0 HA ASP A 90 -2.043 11.836 10.659 1.00 54.25 H new ATOM 0 HB2 ASP A 90 -1.428 10.310 12.449 1.00 45.31 H new ATOM 0 HB3 ASP A 90 0.256 10.349 11.966 1.00 45.31 H new ATOM 1351 N GLY A 91 0.850 11.822 9.205 1.00 21.55 N ATOM 1352 CA GLY A 91 1.836 12.643 8.524 1.00 74.21 C ATOM 1353 C GLY A 91 1.282 13.297 7.262 1.00 50.55 C ATOM 1354 O GLY A 91 1.942 14.133 6.646 1.00 50.32 O ATOM 0 H GLY A 91 0.938 10.823 9.019 1.00 21.55 H new ATOM 0 HA2 GLY A 91 2.191 13.417 9.204 1.00 74.21 H new ATOM 0 HA3 GLY A 91 2.697 12.028 8.262 1.00 74.21 H new ATOM 1358 N GLY A 92 0.084 12.892 6.866 1.00 1.24 N ATOM 1359 CA GLY A 92 -0.579 13.494 5.724 1.00 4.35 C ATOM 1360 C GLY A 92 -0.180 12.881 4.389 1.00 0.11 C ATOM 1361 O GLY A 92 -0.190 13.568 3.353 1.00 42.02 O ATOM 0 H GLY A 92 -0.447 12.149 7.320 1.00 1.24 H new ATOM 0 HA2 GLY A 92 -1.657 13.398 5.850 1.00 4.35 H new ATOM 0 HA3 GLY A 92 -0.354 14.560 5.705 1.00 4.35 H new ATOM 1365 N TYR A 93 0.153 11.610 4.389 1.00 24.25 N ATOM 1366 CA TYR A 93 0.539 10.924 3.167 1.00 71.55 C ATOM 1367 C TYR A 93 -0.561 9.986 2.680 1.00 40.44 C ATOM 1368 O TYR A 93 -1.331 9.445 3.476 1.00 33.15 O ATOM 1369 CB TYR A 93 1.871 10.185 3.338 1.00 33.25 C ATOM 1370 CG TYR A 93 3.057 11.113 3.499 1.00 61.02 C ATOM 1371 CD1 TYR A 93 3.438 11.586 4.749 1.00 12.22 C ATOM 1372 CD2 TYR A 93 3.787 11.523 2.394 1.00 33.02 C ATOM 1373 CE1 TYR A 93 4.514 12.439 4.888 1.00 11.31 C ATOM 1374 CE2 TYR A 93 4.863 12.373 2.525 1.00 13.23 C ATOM 1375 CZ TYR A 93 5.222 12.832 3.771 1.00 71.14 C ATOM 1376 OH TYR A 93 6.303 13.681 3.901 1.00 0.33 O ATOM 0 H TYR A 93 0.166 11.024 5.224 1.00 24.25 H new ATOM 0 HA TYR A 93 0.682 11.683 2.398 1.00 71.55 H new ATOM 0 HB2 TYR A 93 1.808 9.534 4.210 1.00 33.25 H new ATOM 0 HB3 TYR A 93 2.036 9.543 2.472 1.00 33.25 H new ATOM 0 HD1 TYR A 93 2.884 11.282 5.625 1.00 12.22 H new ATOM 0 HD2 TYR A 93 3.507 11.170 1.413 1.00 33.02 H new ATOM 0 HE1 TYR A 93 4.800 12.797 5.866 1.00 11.31 H new ATOM 0 HE2 TYR A 93 5.422 12.678 1.653 1.00 13.23 H new ATOM 0 HH TYR A 93 7.076 13.178 4.233 1.00 0.33 H new ATOM 1386 N ARG A 94 -0.647 9.843 1.381 1.00 51.23 N ATOM 1387 CA ARG A 94 -1.662 9.019 0.720 1.00 3.33 C ATOM 1388 C ARG A 94 -1.080 7.650 0.326 1.00 65.31 C ATOM 1389 O ARG A 94 0.134 7.459 0.352 1.00 70.01 O ATOM 1390 CB ARG A 94 -2.182 9.747 -0.520 1.00 71.10 C ATOM 1391 CG ARG A 94 -1.176 9.810 -1.657 1.00 4.13 C ATOM 1392 CD ARG A 94 -1.447 10.980 -2.573 1.00 34.51 C ATOM 1393 NE ARG A 94 -1.111 12.239 -1.888 1.00 54.42 N ATOM 1394 CZ ARG A 94 -1.595 13.449 -2.191 1.00 71.15 C ATOM 1395 NH1 ARG A 94 -2.475 13.592 -3.173 1.00 54.43 N ATOM 1396 NH2 ARG A 94 -1.186 14.520 -1.501 1.00 20.43 N ATOM 0 H ARG A 94 -0.008 10.299 0.730 1.00 51.23 H new ATOM 0 HA ARG A 94 -2.486 8.851 1.414 1.00 3.33 H new ATOM 0 HB2 ARG A 94 -3.084 9.247 -0.872 1.00 71.10 H new ATOM 0 HB3 ARG A 94 -2.467 10.762 -0.242 1.00 71.10 H new ATOM 0 HG2 ARG A 94 -0.169 9.892 -1.249 1.00 4.13 H new ATOM 0 HG3 ARG A 94 -1.213 8.883 -2.229 1.00 4.13 H new ATOM 0 HD2 ARG A 94 -0.858 10.883 -3.485 1.00 34.51 H new ATOM 0 HD3 ARG A 94 -2.496 10.986 -2.870 1.00 34.51 H new ATOM 0 HE ARG A 94 -0.450 12.184 -1.113 1.00 54.42 H new ATOM 0 HH11 ARG A 94 -2.786 12.777 -3.702 1.00 54.43 H new ATOM 0 HH12 ARG A 94 -2.841 14.517 -3.400 1.00 54.43 H new ATOM 0 HH21 ARG A 94 -0.508 14.412 -0.747 1.00 20.43 H new ATOM 0 HH22 ARG A 94 -1.553 15.444 -1.729 1.00 20.43 H new ATOM 1410 N ASP A 95 -1.954 6.756 -0.119 1.00 61.45 N ATOM 1411 CA ASP A 95 -1.646 5.336 -0.457 1.00 53.24 C ATOM 1412 C ASP A 95 -0.498 5.211 -1.457 1.00 70.24 C ATOM 1413 O ASP A 95 0.436 4.420 -1.257 1.00 21.45 O ATOM 1414 CB ASP A 95 -2.909 4.681 -1.074 1.00 33.14 C ATOM 1415 CG ASP A 95 -3.384 5.443 -2.311 1.00 51.44 C ATOM 1416 OD1 ASP A 95 -3.892 6.574 -2.153 1.00 63.43 O ATOM 1417 OD2 ASP A 95 -3.131 5.000 -3.445 1.00 21.13 O ATOM 0 H ASP A 95 -2.936 6.989 -0.266 1.00 61.45 H new ATOM 0 HA ASP A 95 -1.346 4.837 0.464 1.00 53.24 H new ATOM 0 HB2 ASP A 95 -2.690 3.648 -1.343 1.00 33.14 H new ATOM 0 HB3 ASP A 95 -3.707 4.655 -0.332 1.00 33.14 H new ATOM 1422 N THR A 96 -0.551 6.016 -2.479 1.00 0.00 N ATOM 1423 CA THR A 96 0.409 6.012 -3.527 1.00 42.33 C ATOM 1424 C THR A 96 1.784 6.415 -2.985 1.00 50.14 C ATOM 1425 O THR A 96 2.795 5.805 -3.317 1.00 13.23 O ATOM 1426 CB THR A 96 -0.056 6.953 -4.636 1.00 14.41 C ATOM 1427 OG1 THR A 96 -1.433 6.623 -4.972 1.00 50.00 O ATOM 1428 CG2 THR A 96 0.810 6.793 -5.866 1.00 54.23 C ATOM 0 H THR A 96 -1.288 6.711 -2.603 1.00 0.00 H new ATOM 0 HA THR A 96 0.503 5.009 -3.942 1.00 42.33 H new ATOM 0 HB THR A 96 0.019 7.984 -4.291 1.00 14.41 H new ATOM 0 HG1 THR A 96 -1.762 5.930 -4.362 1.00 50.00 H new ATOM 0 HG21 THR A 96 0.464 7.471 -6.646 1.00 54.23 H new ATOM 0 HG22 THR A 96 1.845 7.026 -5.615 1.00 54.23 H new ATOM 0 HG23 THR A 96 0.746 5.766 -6.225 1.00 54.23 H new ATOM 1436 N GLU A 97 1.791 7.408 -2.107 1.00 42.04 N ATOM 1437 CA GLU A 97 3.015 7.890 -1.500 1.00 1.11 C ATOM 1438 C GLU A 97 3.618 6.822 -0.610 1.00 72.33 C ATOM 1439 O GLU A 97 4.827 6.646 -0.598 1.00 75.31 O ATOM 1440 CB GLU A 97 2.775 9.171 -0.702 1.00 13.21 C ATOM 1441 CG GLU A 97 2.348 10.352 -1.548 1.00 4.32 C ATOM 1442 CD GLU A 97 1.954 11.548 -0.720 1.00 13.32 C ATOM 1443 OE1 GLU A 97 0.870 11.531 -0.113 1.00 44.04 O ATOM 1444 OE2 GLU A 97 2.680 12.539 -0.698 1.00 14.30 O ATOM 0 H GLU A 97 0.951 7.898 -1.799 1.00 42.04 H new ATOM 0 HA GLU A 97 3.716 8.121 -2.302 1.00 1.11 H new ATOM 0 HB2 GLU A 97 2.010 8.980 0.050 1.00 13.21 H new ATOM 0 HB3 GLU A 97 3.689 9.431 -0.168 1.00 13.21 H new ATOM 0 HG2 GLU A 97 3.164 10.630 -2.215 1.00 4.32 H new ATOM 0 HG3 GLU A 97 1.508 10.058 -2.177 1.00 4.32 H new ATOM 1451 N ILE A 98 2.759 6.067 0.091 1.00 15.51 N ATOM 1452 CA ILE A 98 3.244 5.030 1.016 1.00 20.43 C ATOM 1453 C ILE A 98 4.030 4.000 0.228 1.00 60.22 C ATOM 1454 O ILE A 98 5.179 3.686 0.544 1.00 54.23 O ATOM 1455 CB ILE A 98 2.085 4.232 1.703 1.00 55.22 C ATOM 1456 CG1 ILE A 98 0.945 5.120 2.190 1.00 11.04 C ATOM 1457 CG2 ILE A 98 2.625 3.411 2.859 1.00 50.12 C ATOM 1458 CD1 ILE A 98 1.349 6.227 3.121 1.00 51.05 C ATOM 0 H ILE A 98 1.744 6.151 0.038 1.00 15.51 H new ATOM 0 HA ILE A 98 3.833 5.547 1.774 1.00 20.43 H new ATOM 0 HB ILE A 98 1.670 3.576 0.938 1.00 55.22 H new ATOM 0 HG12 ILE A 98 0.451 5.558 1.323 1.00 11.04 H new ATOM 0 HG13 ILE A 98 0.208 4.494 2.694 1.00 11.04 H new ATOM 0 HG21 ILE A 98 1.809 2.861 3.328 1.00 50.12 H new ATOM 0 HG22 ILE A 98 3.371 2.707 2.489 1.00 50.12 H new ATOM 0 HG23 ILE A 98 3.084 4.074 3.593 1.00 50.12 H new ATOM 0 HD11 ILE A 98 0.468 6.800 3.409 1.00 51.05 H new ATOM 0 HD12 ILE A 98 1.813 5.803 4.011 1.00 51.05 H new ATOM 0 HD13 ILE A 98 2.060 6.883 2.619 1.00 51.05 H new ATOM 1470 N MET A 99 3.427 3.539 -0.852 1.00 52.33 N ATOM 1471 CA MET A 99 4.035 2.523 -1.667 1.00 4.04 C ATOM 1472 C MET A 99 5.171 3.048 -2.534 1.00 1.52 C ATOM 1473 O MET A 99 5.982 2.271 -3.025 1.00 31.23 O ATOM 1474 CB MET A 99 3.015 1.717 -2.474 1.00 33.40 C ATOM 1475 CG MET A 99 2.149 2.507 -3.421 1.00 24.35 C ATOM 1476 SD MET A 99 1.056 1.435 -4.380 1.00 1.01 S ATOM 1477 CE MET A 99 0.102 0.667 -3.065 1.00 21.42 C ATOM 0 H MET A 99 2.515 3.858 -1.179 1.00 52.33 H new ATOM 0 HA MET A 99 4.491 1.826 -0.964 1.00 4.04 H new ATOM 0 HB2 MET A 99 3.551 0.961 -3.048 1.00 33.40 H new ATOM 0 HB3 MET A 99 2.367 1.187 -1.776 1.00 33.40 H new ATOM 0 HG2 MET A 99 1.552 3.223 -2.857 1.00 24.35 H new ATOM 0 HG3 MET A 99 2.781 3.082 -4.098 1.00 24.35 H new ATOM 0 HE1 MET A 99 -0.781 0.189 -3.488 1.00 21.42 H new ATOM 0 HE2 MET A 99 0.714 -0.081 -2.561 1.00 21.42 H new ATOM 0 HE3 MET A 99 -0.206 1.427 -2.347 1.00 21.42 H new ATOM 1487 N ARG A 100 5.239 4.365 -2.683 1.00 2.21 N ATOM 1488 CA ARG A 100 6.254 5.015 -3.501 1.00 21.31 C ATOM 1489 C ARG A 100 7.645 4.662 -2.957 1.00 42.12 C ATOM 1490 O ARG A 100 8.445 4.012 -3.634 1.00 4.11 O ATOM 1491 CB ARG A 100 6.000 6.525 -3.464 1.00 4.14 C ATOM 1492 CG ARG A 100 6.752 7.386 -4.459 1.00 14.43 C ATOM 1493 CD ARG A 100 6.322 8.835 -4.268 1.00 72.14 C ATOM 1494 NE ARG A 100 6.845 9.759 -5.282 1.00 32.24 N ATOM 1495 CZ ARG A 100 6.996 11.082 -5.092 1.00 40.32 C ATOM 1496 NH1 ARG A 100 7.025 11.584 -3.857 1.00 13.20 N ATOM 1497 NH2 ARG A 100 7.224 11.880 -6.125 1.00 64.32 N ATOM 0 H ARG A 100 4.590 5.014 -2.238 1.00 2.21 H new ATOM 0 HA ARG A 100 6.206 4.674 -4.535 1.00 21.31 H new ATOM 0 HB2 ARG A 100 4.933 6.690 -3.615 1.00 4.14 H new ATOM 0 HB3 ARG A 100 6.239 6.882 -2.462 1.00 4.14 H new ATOM 0 HG2 ARG A 100 7.827 7.287 -4.309 1.00 14.43 H new ATOM 0 HG3 ARG A 100 6.541 7.060 -5.477 1.00 14.43 H new ATOM 0 HD2 ARG A 100 5.233 8.883 -4.277 1.00 72.14 H new ATOM 0 HD3 ARG A 100 6.648 9.172 -3.284 1.00 72.14 H new ATOM 0 HE ARG A 100 7.111 9.373 -6.188 1.00 32.24 H new ATOM 0 HH11 ARG A 100 6.933 10.964 -3.052 1.00 13.20 H new ATOM 0 HH12 ARG A 100 7.140 12.588 -3.717 1.00 13.20 H new ATOM 0 HH21 ARG A 100 7.285 11.491 -7.066 1.00 64.32 H new ATOM 0 HH22 ARG A 100 7.338 12.883 -5.979 1.00 64.32 H new ATOM 1511 N TRP A 101 7.918 5.072 -1.734 1.00 74.11 N ATOM 1512 CA TRP A 101 9.175 4.730 -1.090 1.00 31.34 C ATOM 1513 C TRP A 101 9.289 3.243 -0.721 1.00 34.31 C ATOM 1514 O TRP A 101 10.364 2.680 -0.782 1.00 23.21 O ATOM 1515 CB TRP A 101 9.532 5.678 0.075 1.00 63.41 C ATOM 1516 CG TRP A 101 8.413 5.982 1.026 1.00 51.35 C ATOM 1517 CD1 TRP A 101 7.644 7.105 1.029 1.00 14.14 C ATOM 1518 CD2 TRP A 101 7.942 5.173 2.111 1.00 72.41 C ATOM 1519 NE1 TRP A 101 6.732 7.046 2.043 1.00 42.01 N ATOM 1520 CE2 TRP A 101 6.891 5.873 2.719 1.00 30.02 C ATOM 1521 CE3 TRP A 101 8.302 3.928 2.629 1.00 43.33 C ATOM 1522 CZ2 TRP A 101 6.201 5.373 3.808 1.00 72.32 C ATOM 1523 CZ3 TRP A 101 7.612 3.437 3.709 1.00 13.22 C ATOM 1524 CH2 TRP A 101 6.574 4.156 4.289 1.00 3.21 C ATOM 0 H TRP A 101 7.290 5.641 -1.166 1.00 74.11 H new ATOM 0 HA TRP A 101 9.943 4.893 -1.847 1.00 31.34 H new ATOM 0 HB2 TRP A 101 10.355 5.239 0.639 1.00 63.41 H new ATOM 0 HB3 TRP A 101 9.896 6.617 -0.342 1.00 63.41 H new ATOM 0 HD1 TRP A 101 7.741 7.923 0.331 1.00 14.14 H new ATOM 0 HE1 TRP A 101 6.042 7.765 2.260 1.00 42.01 H new ATOM 0 HE3 TRP A 101 9.109 3.361 2.188 1.00 43.33 H new ATOM 0 HZ2 TRP A 101 5.394 5.929 4.261 1.00 72.32 H new ATOM 0 HZ3 TRP A 101 7.881 2.473 4.116 1.00 13.22 H new ATOM 0 HH2 TRP A 101 6.053 3.741 5.139 1.00 3.21 H new ATOM 1535 N LEU A 102 8.160 2.615 -0.374 1.00 40.34 N ATOM 1536 CA LEU A 102 8.126 1.191 0.026 1.00 2.22 C ATOM 1537 C LEU A 102 8.651 0.252 -1.052 1.00 50.21 C ATOM 1538 O LEU A 102 9.345 -0.727 -0.751 1.00 42.32 O ATOM 1539 CB LEU A 102 6.705 0.761 0.386 1.00 52.14 C ATOM 1540 CG LEU A 102 6.212 0.982 1.811 1.00 63.04 C ATOM 1541 CD1 LEU A 102 4.763 0.570 1.926 1.00 75.11 C ATOM 1542 CD2 LEU A 102 7.040 0.180 2.780 1.00 12.43 C ATOM 0 H LEU A 102 7.247 3.069 -0.360 1.00 40.34 H new ATOM 0 HA LEU A 102 8.783 1.116 0.893 1.00 2.22 H new ATOM 0 HB2 LEU A 102 6.022 1.283 -0.285 1.00 52.14 H new ATOM 0 HB3 LEU A 102 6.616 -0.303 0.167 1.00 52.14 H new ATOM 0 HG LEU A 102 6.308 2.041 2.051 1.00 63.04 H new ATOM 0 HD11 LEU A 102 4.419 0.731 2.948 1.00 75.11 H new ATOM 0 HD12 LEU A 102 4.160 1.166 1.241 1.00 75.11 H new ATOM 0 HD13 LEU A 102 4.664 -0.485 1.672 1.00 75.11 H new ATOM 0 HD21 LEU A 102 6.677 0.347 3.794 1.00 12.43 H new ATOM 0 HD22 LEU A 102 6.961 -0.879 2.536 1.00 12.43 H new ATOM 0 HD23 LEU A 102 8.083 0.491 2.712 1.00 12.43 H new ATOM 1554 N PHE A 103 8.311 0.522 -2.287 1.00 34.44 N ATOM 1555 CA PHE A 103 8.728 -0.335 -3.377 1.00 41.22 C ATOM 1556 C PHE A 103 10.089 0.021 -3.903 1.00 51.44 C ATOM 1557 O PHE A 103 10.680 -0.739 -4.665 1.00 24.34 O ATOM 1558 CB PHE A 103 7.697 -0.368 -4.492 1.00 52.02 C ATOM 1559 CG PHE A 103 6.497 -1.204 -4.163 1.00 33.43 C ATOM 1560 CD1 PHE A 103 5.531 -0.763 -3.277 1.00 53.02 C ATOM 1561 CD2 PHE A 103 6.341 -2.442 -4.747 1.00 23.34 C ATOM 1562 CE1 PHE A 103 4.438 -1.540 -2.983 1.00 70.53 C ATOM 1563 CE2 PHE A 103 5.252 -3.221 -4.458 1.00 2.13 C ATOM 1564 CZ PHE A 103 4.294 -2.768 -3.578 1.00 63.03 C ATOM 0 H PHE A 103 7.748 1.325 -2.566 1.00 34.44 H new ATOM 0 HA PHE A 103 8.803 -1.341 -2.964 1.00 41.22 H new ATOM 0 HB2 PHE A 103 7.374 0.650 -4.709 1.00 52.02 H new ATOM 0 HB3 PHE A 103 8.164 -0.755 -5.398 1.00 52.02 H new ATOM 0 HD1 PHE A 103 5.638 0.205 -2.810 1.00 53.02 H new ATOM 0 HD2 PHE A 103 7.086 -2.803 -5.441 1.00 23.34 H new ATOM 0 HE1 PHE A 103 3.694 -1.186 -2.285 1.00 70.53 H new ATOM 0 HE2 PHE A 103 5.144 -4.191 -4.920 1.00 2.13 H new ATOM 0 HZ PHE A 103 3.431 -3.378 -3.357 1.00 63.03 H new ATOM 1574 N THR A 104 10.585 1.138 -3.487 1.00 43.43 N ATOM 1575 CA THR A 104 11.878 1.569 -3.887 1.00 33.31 C ATOM 1576 C THR A 104 12.923 0.982 -2.916 1.00 2.12 C ATOM 1577 O THR A 104 12.812 1.163 -1.708 1.00 65.22 O ATOM 1578 CB THR A 104 11.924 3.109 -3.910 1.00 11.25 C ATOM 1579 OG1 THR A 104 10.851 3.585 -4.769 1.00 22.53 O ATOM 1580 CG2 THR A 104 13.258 3.610 -4.456 1.00 32.03 C ATOM 0 H THR A 104 10.101 1.779 -2.858 1.00 43.43 H new ATOM 0 HA THR A 104 12.106 1.215 -4.892 1.00 33.31 H new ATOM 0 HB THR A 104 11.808 3.484 -2.893 1.00 11.25 H new ATOM 0 HG1 THR A 104 10.109 3.909 -4.217 1.00 22.53 H new ATOM 0 HG21 THR A 104 13.263 4.700 -4.461 1.00 32.03 H new ATOM 0 HG22 THR A 104 14.069 3.246 -3.825 1.00 32.03 H new ATOM 0 HG23 THR A 104 13.396 3.242 -5.473 1.00 32.03 H new ATOM 1588 N PRO A 105 13.893 0.195 -3.429 1.00 4.04 N ATOM 1589 CA PRO A 105 14.953 -0.391 -2.603 1.00 55.24 C ATOM 1590 C PRO A 105 15.763 0.679 -1.875 1.00 43.32 C ATOM 1591 O PRO A 105 16.221 1.654 -2.492 1.00 60.31 O ATOM 1592 CB PRO A 105 15.839 -1.116 -3.621 1.00 53.31 C ATOM 1593 CG PRO A 105 14.946 -1.372 -4.779 1.00 50.52 C ATOM 1594 CD PRO A 105 14.024 -0.197 -4.844 1.00 11.03 C ATOM 0 HA PRO A 105 14.553 -1.041 -1.825 1.00 55.24 H new ATOM 0 HB2 PRO A 105 16.695 -0.505 -3.908 1.00 53.31 H new ATOM 0 HB3 PRO A 105 16.234 -2.046 -3.212 1.00 53.31 H new ATOM 0 HG2 PRO A 105 15.519 -1.472 -5.701 1.00 50.52 H new ATOM 0 HG3 PRO A 105 14.390 -2.300 -4.647 1.00 50.52 H new ATOM 0 HD2 PRO A 105 14.438 0.609 -5.450 1.00 11.03 H new ATOM 0 HD3 PRO A 105 13.061 -0.462 -5.281 1.00 11.03 H new ATOM 1602 N ASP A 106 15.932 0.501 -0.587 1.00 74.41 N ATOM 1603 CA ASP A 106 16.697 1.429 0.217 1.00 64.11 C ATOM 1604 C ASP A 106 18.175 1.128 0.013 1.00 55.35 C ATOM 1605 O ASP A 106 18.624 -0.015 0.228 1.00 71.41 O ATOM 1606 CB ASP A 106 16.326 1.317 1.701 1.00 23.35 C ATOM 1607 CG ASP A 106 17.106 2.272 2.609 1.00 24.40 C ATOM 1608 OD1 ASP A 106 18.314 2.050 2.842 1.00 63.31 O ATOM 1609 OD2 ASP A 106 16.512 3.238 3.142 1.00 65.25 O ATOM 0 H ASP A 106 15.546 -0.287 -0.067 1.00 74.41 H new ATOM 0 HA ASP A 106 16.473 2.449 -0.094 1.00 64.11 H new ATOM 0 HB2 ASP A 106 15.260 1.513 1.815 1.00 23.35 H new ATOM 0 HB3 ASP A 106 16.499 0.293 2.033 1.00 23.35 H new ATOM 1614 N PRO A 107 18.948 2.126 -0.429 1.00 71.22 N ATOM 1615 CA PRO A 107 20.372 1.970 -0.746 1.00 22.04 C ATOM 1616 C PRO A 107 21.244 1.531 0.435 1.00 42.34 C ATOM 1617 O PRO A 107 22.362 1.049 0.244 1.00 51.13 O ATOM 1618 CB PRO A 107 20.795 3.366 -1.230 1.00 13.20 C ATOM 1619 CG PRO A 107 19.779 4.289 -0.660 1.00 11.01 C ATOM 1620 CD PRO A 107 18.496 3.518 -0.647 1.00 43.31 C ATOM 0 HA PRO A 107 20.510 1.175 -1.479 1.00 22.04 H new ATOM 0 HB2 PRO A 107 21.797 3.618 -0.883 1.00 13.20 H new ATOM 0 HB3 PRO A 107 20.811 3.419 -2.319 1.00 13.20 H new ATOM 0 HG2 PRO A 107 20.057 4.605 0.346 1.00 11.01 H new ATOM 0 HG3 PRO A 107 19.687 5.192 -1.264 1.00 11.01 H new ATOM 0 HD2 PRO A 107 17.830 3.855 0.147 1.00 43.31 H new ATOM 0 HD3 PRO A 107 17.952 3.624 -1.586 1.00 43.31 H new ATOM 1628 N SER A 108 20.743 1.666 1.632 1.00 63.53 N ATOM 1629 CA SER A 108 21.534 1.408 2.784 1.00 30.23 C ATOM 1630 C SER A 108 20.928 0.264 3.622 1.00 52.25 C ATOM 1631 O SER A 108 21.459 -0.095 4.682 1.00 25.41 O ATOM 1632 CB SER A 108 21.629 2.715 3.591 1.00 61.50 C ATOM 1633 OG SER A 108 22.610 2.657 4.619 1.00 15.14 O ATOM 0 H SER A 108 19.784 1.955 1.826 1.00 63.53 H new ATOM 0 HA SER A 108 22.533 1.083 2.495 1.00 30.23 H new ATOM 0 HB2 SER A 108 21.865 3.537 2.916 1.00 61.50 H new ATOM 0 HB3 SER A 108 20.658 2.935 4.034 1.00 61.50 H new ATOM 0 HG SER A 108 22.609 1.764 5.022 1.00 15.14 H new ATOM 1639 N LEU A 109 19.887 -0.361 3.117 1.00 31.32 N ATOM 1640 CA LEU A 109 19.187 -1.379 3.871 1.00 54.21 C ATOM 1641 C LEU A 109 19.608 -2.753 3.410 1.00 35.31 C ATOM 1642 O LEU A 109 19.687 -3.030 2.213 1.00 23.40 O ATOM 1643 CB LEU A 109 17.681 -1.214 3.682 1.00 64.51 C ATOM 1644 CG LEU A 109 16.767 -2.126 4.503 1.00 41.12 C ATOM 1645 CD1 LEU A 109 16.895 -1.835 5.992 1.00 60.33 C ATOM 1646 CD2 LEU A 109 15.329 -1.969 4.047 1.00 1.13 C ATOM 0 H LEU A 109 19.506 -0.183 2.188 1.00 31.32 H new ATOM 0 HA LEU A 109 19.436 -1.269 4.927 1.00 54.21 H new ATOM 0 HB2 LEU A 109 17.423 -0.181 3.914 1.00 64.51 H new ATOM 0 HB3 LEU A 109 17.454 -1.370 2.627 1.00 64.51 H new ATOM 0 HG LEU A 109 17.076 -3.158 4.340 1.00 41.12 H new ATOM 0 HD11 LEU A 109 16.234 -2.498 6.550 1.00 60.33 H new ATOM 0 HD12 LEU A 109 17.925 -2.000 6.308 1.00 60.33 H new ATOM 0 HD13 LEU A 109 16.617 -0.799 6.185 1.00 60.33 H new ATOM 0 HD21 LEU A 109 14.687 -2.622 4.638 1.00 1.13 H new ATOM 0 HD22 LEU A 109 15.016 -0.934 4.182 1.00 1.13 H new ATOM 0 HD23 LEU A 109 15.250 -2.238 2.994 1.00 1.13 H new ATOM 1658 N THR A 110 19.944 -3.575 4.357 1.00 74.42 N ATOM 1659 CA THR A 110 20.347 -4.932 4.124 1.00 30.42 C ATOM 1660 C THR A 110 19.565 -5.827 5.082 1.00 35.41 C ATOM 1661 O THR A 110 19.718 -5.715 6.298 1.00 1.05 O ATOM 1662 CB THR A 110 21.859 -5.066 4.364 1.00 33.03 C ATOM 1663 OG1 THR A 110 22.545 -4.101 3.538 1.00 30.44 O ATOM 1664 CG2 THR A 110 22.357 -6.456 4.026 1.00 15.35 C ATOM 0 H THR A 110 19.946 -3.314 5.343 1.00 74.42 H new ATOM 0 HA THR A 110 20.140 -5.228 3.096 1.00 30.42 H new ATOM 0 HB THR A 110 22.059 -4.886 5.420 1.00 33.03 H new ATOM 0 HG1 THR A 110 22.979 -4.561 2.789 1.00 30.44 H new ATOM 0 HG21 THR A 110 23.430 -6.512 4.208 1.00 15.35 H new ATOM 0 HG22 THR A 110 21.844 -7.188 4.650 1.00 15.35 H new ATOM 0 HG23 THR A 110 22.156 -6.669 2.976 1.00 15.35 H new ATOM 1672 N ILE A 111 18.716 -6.677 4.553 1.00 35.01 N ATOM 1673 CA ILE A 111 17.844 -7.477 5.396 1.00 50.34 C ATOM 1674 C ILE A 111 17.848 -8.950 5.057 1.00 30.25 C ATOM 1675 O ILE A 111 18.210 -9.349 3.961 1.00 0.43 O ATOM 1676 CB ILE A 111 16.376 -6.917 5.449 1.00 12.20 C ATOM 1677 CG1 ILE A 111 15.770 -6.659 4.044 1.00 73.52 C ATOM 1678 CG2 ILE A 111 16.295 -5.673 6.304 1.00 31.41 C ATOM 1679 CD1 ILE A 111 15.339 -7.901 3.284 1.00 45.12 C ATOM 0 H ILE A 111 18.607 -6.835 3.551 1.00 35.01 H new ATOM 0 HA ILE A 111 18.273 -7.389 6.394 1.00 50.34 H new ATOM 0 HB ILE A 111 15.772 -7.698 5.910 1.00 12.20 H new ATOM 0 HG12 ILE A 111 14.907 -6.003 4.154 1.00 73.52 H new ATOM 0 HG13 ILE A 111 16.504 -6.122 3.443 1.00 73.52 H new ATOM 0 HG21 ILE A 111 15.268 -5.310 6.321 1.00 31.41 H new ATOM 0 HG22 ILE A 111 16.614 -5.908 7.320 1.00 31.41 H new ATOM 0 HG23 ILE A 111 16.945 -4.903 5.889 1.00 31.41 H new ATOM 0 HD11 ILE A 111 14.930 -7.612 2.316 1.00 45.12 H new ATOM 0 HD12 ILE A 111 16.200 -8.553 3.134 1.00 45.12 H new ATOM 0 HD13 ILE A 111 14.578 -8.432 3.856 1.00 45.12 H new ATOM 1805 N VAL A 120 20.221 -9.512 2.162 1.00 0.25 N ATOM 1806 CA VAL A 120 20.191 -8.911 0.858 1.00 54.25 C ATOM 1807 C VAL A 120 20.324 -7.407 1.006 1.00 54.42 C ATOM 1808 O VAL A 120 19.566 -6.776 1.760 1.00 10.24 O ATOM 1809 CB VAL A 120 18.867 -9.246 0.113 1.00 5.13 C ATOM 1810 CG1 VAL A 120 18.862 -8.669 -1.295 1.00 33.43 C ATOM 1811 CG2 VAL A 120 18.633 -10.753 0.072 1.00 21.51 C ATOM 0 HA VAL A 120 21.019 -9.309 0.271 1.00 54.25 H new ATOM 0 HB VAL A 120 18.051 -8.784 0.669 1.00 5.13 H new ATOM 0 HG11 VAL A 120 17.923 -8.921 -1.788 1.00 33.43 H new ATOM 0 HG12 VAL A 120 18.966 -7.585 -1.244 1.00 33.43 H new ATOM 0 HG13 VAL A 120 19.693 -9.087 -1.862 1.00 33.43 H new ATOM 0 HG21 VAL A 120 17.701 -10.962 -0.454 1.00 21.51 H new ATOM 0 HG22 VAL A 120 19.460 -11.236 -0.449 1.00 21.51 H new ATOM 0 HG23 VAL A 120 18.570 -11.139 1.089 1.00 21.51 H new ATOM 1821 N SER A 121 21.296 -6.858 0.342 1.00 42.23 N ATOM 1822 CA SER A 121 21.555 -5.440 0.363 1.00 33.25 C ATOM 1823 C SER A 121 20.741 -4.737 -0.733 1.00 34.34 C ATOM 1824 O SER A 121 20.487 -5.325 -1.802 1.00 41.21 O ATOM 1825 CB SER A 121 23.053 -5.205 0.177 1.00 15.44 C ATOM 1826 OG SER A 121 23.794 -5.926 1.167 1.00 63.53 O ATOM 0 H SER A 121 21.945 -7.387 -0.241 1.00 42.23 H new ATOM 0 HA SER A 121 21.250 -5.021 1.322 1.00 33.25 H new ATOM 0 HB2 SER A 121 23.357 -5.525 -0.820 1.00 15.44 H new ATOM 0 HB3 SER A 121 23.273 -4.140 0.252 1.00 15.44 H new ATOM 0 HG SER A 121 24.753 -5.769 1.037 1.00 63.53 H new ATOM 1832 N ASN A 122 20.324 -3.495 -0.449 1.00 73.12 N ATOM 1833 CA ASN A 122 19.504 -2.678 -1.341 1.00 34.11 C ATOM 1834 C ASN A 122 18.162 -3.329 -1.513 1.00 63.12 C ATOM 1835 O ASN A 122 17.753 -3.692 -2.622 1.00 61.33 O ATOM 1836 CB ASN A 122 20.163 -2.404 -2.705 1.00 61.23 C ATOM 1837 CG ASN A 122 21.448 -1.618 -2.612 1.00 52.14 C ATOM 1838 OD1 ASN A 122 21.369 -0.321 -2.757 1.00 5.13 O flip ATOM 1839 ND2 ASN A 122 22.524 -2.190 -2.463 1.00 73.13 N flip ATOM 0 H ASN A 122 20.555 -3.025 0.426 1.00 73.12 H new ATOM 0 HA ASN A 122 19.390 -1.700 -0.873 1.00 34.11 H new ATOM 0 HB2 ASN A 122 20.364 -3.355 -3.199 1.00 61.23 H new ATOM 0 HB3 ASN A 122 19.460 -1.860 -3.335 1.00 61.23 H new ATOM 0 HD21 ASN A 122 22.552 -3.204 -2.352 1.00 73.13 H new ATOM 0 HD22 ASN A 122 23.390 -1.652 -2.450 1.00 73.13 H new ATOM 1846 N ALA A 123 17.506 -3.528 -0.404 1.00 62.05 N ATOM 1847 CA ALA A 123 16.232 -4.172 -0.381 1.00 72.33 C ATOM 1848 C ALA A 123 15.152 -3.152 -0.132 1.00 51.02 C ATOM 1849 O ALA A 123 15.423 -2.056 0.368 1.00 1.23 O ATOM 1850 CB ALA A 123 16.212 -5.248 0.687 1.00 52.30 C ATOM 0 H ALA A 123 17.847 -3.244 0.514 1.00 62.05 H new ATOM 0 HA ALA A 123 16.049 -4.645 -1.346 1.00 72.33 H new ATOM 0 HB1 ALA A 123 15.236 -5.733 0.696 1.00 52.30 H new ATOM 0 HB2 ALA A 123 16.983 -5.988 0.472 1.00 52.30 H new ATOM 0 HB3 ALA A 123 16.403 -4.797 1.661 1.00 52.30 H new ATOM 1856 N ARG A 124 13.948 -3.496 -0.478 1.00 32.40 N ATOM 1857 CA ARG A 124 12.823 -2.604 -0.307 1.00 14.14 C ATOM 1858 C ARG A 124 12.367 -2.684 1.134 1.00 54.45 C ATOM 1859 O ARG A 124 12.482 -3.743 1.751 1.00 21.24 O ATOM 1860 CB ARG A 124 11.666 -3.047 -1.201 1.00 41.30 C ATOM 1861 CG ARG A 124 12.058 -3.330 -2.626 1.00 72.13 C ATOM 1862 CD ARG A 124 10.864 -3.758 -3.448 1.00 1.10 C ATOM 1863 NE ARG A 124 11.256 -4.249 -4.770 1.00 72.33 N ATOM 1864 CZ ARG A 124 10.434 -4.404 -5.809 1.00 14.11 C ATOM 1865 NH1 ARG A 124 9.204 -3.906 -5.761 1.00 4.51 N ATOM 1866 NH2 ARG A 124 10.869 -5.011 -6.911 1.00 34.11 N ATOM 0 H ARG A 124 13.710 -4.400 -0.887 1.00 32.40 H new ATOM 0 HA ARG A 124 13.120 -1.589 -0.570 1.00 14.14 H new ATOM 0 HB2 ARG A 124 11.216 -3.944 -0.775 1.00 41.30 H new ATOM 0 HB3 ARG A 124 10.900 -2.272 -1.194 1.00 41.30 H new ATOM 0 HG2 ARG A 124 12.505 -2.439 -3.066 1.00 72.13 H new ATOM 0 HG3 ARG A 124 12.817 -4.112 -2.648 1.00 72.13 H new ATOM 0 HD2 ARG A 124 10.320 -4.540 -2.918 1.00 1.10 H new ATOM 0 HD3 ARG A 124 10.181 -2.916 -3.562 1.00 1.10 H new ATOM 0 HE ARG A 124 12.237 -4.492 -4.908 1.00 72.33 H new ATOM 0 HH11 ARG A 124 8.889 -3.405 -4.930 1.00 4.51 H new ATOM 0 HH12 ARG A 124 8.575 -4.024 -6.555 1.00 4.51 H new ATOM 0 HH21 ARG A 124 11.828 -5.356 -6.959 1.00 34.11 H new ATOM 0 HH22 ARG A 124 10.243 -5.131 -7.708 1.00 34.11 H new ATOM 1880 N PRO A 125 11.848 -1.594 1.708 1.00 72.11 N ATOM 1881 CA PRO A 125 11.285 -1.625 3.059 1.00 44.03 C ATOM 1882 C PRO A 125 10.151 -2.680 3.176 1.00 40.33 C ATOM 1883 O PRO A 125 9.930 -3.259 4.234 1.00 13.14 O ATOM 1884 CB PRO A 125 10.740 -0.211 3.255 1.00 24.33 C ATOM 1885 CG PRO A 125 11.522 0.639 2.313 1.00 2.40 C ATOM 1886 CD PRO A 125 11.831 -0.229 1.130 1.00 71.05 C ATOM 0 HA PRO A 125 12.021 -1.905 3.813 1.00 44.03 H new ATOM 0 HB2 PRO A 125 9.673 -0.165 3.035 1.00 24.33 H new ATOM 0 HB3 PRO A 125 10.867 0.122 4.285 1.00 24.33 H new ATOM 0 HG2 PRO A 125 10.950 1.517 2.013 1.00 2.40 H new ATOM 0 HG3 PRO A 125 12.438 1.000 2.782 1.00 2.40 H new ATOM 0 HD2 PRO A 125 11.076 -0.131 0.350 1.00 71.05 H new ATOM 0 HD3 PRO A 125 12.789 0.030 0.680 1.00 71.05 H new ATOM 1894 N VAL A 126 9.469 -2.952 2.056 1.00 41.12 N ATOM 1895 CA VAL A 126 8.423 -3.987 2.010 1.00 23.33 C ATOM 1896 C VAL A 126 9.027 -5.371 2.285 1.00 30.33 C ATOM 1897 O VAL A 126 8.413 -6.230 2.930 1.00 33.22 O ATOM 1898 CB VAL A 126 7.702 -4.028 0.639 1.00 73.52 C ATOM 1899 CG1 VAL A 126 6.636 -5.096 0.623 1.00 53.44 C ATOM 1900 CG2 VAL A 126 7.080 -2.702 0.317 1.00 51.23 C ATOM 0 H VAL A 126 9.621 -2.471 1.169 1.00 41.12 H new ATOM 0 HA VAL A 126 7.695 -3.730 2.779 1.00 23.33 H new ATOM 0 HB VAL A 126 8.453 -4.260 -0.116 1.00 73.52 H new ATOM 0 HG11 VAL A 126 6.144 -5.105 -0.350 1.00 53.44 H new ATOM 0 HG12 VAL A 126 7.092 -6.068 0.808 1.00 53.44 H new ATOM 0 HG13 VAL A 126 5.900 -4.887 1.399 1.00 53.44 H new ATOM 0 HG21 VAL A 126 6.581 -2.760 -0.650 1.00 51.23 H new ATOM 0 HG22 VAL A 126 6.352 -2.445 1.086 1.00 51.23 H new ATOM 0 HG23 VAL A 126 7.855 -1.936 0.281 1.00 51.23 H new ATOM 1910 N ASP A 127 10.232 -5.571 1.815 1.00 24.50 N ATOM 1911 CA ASP A 127 10.912 -6.841 1.999 1.00 14.00 C ATOM 1912 C ASP A 127 11.265 -6.969 3.485 1.00 60.23 C ATOM 1913 O ASP A 127 11.042 -8.001 4.115 1.00 21.14 O ATOM 1914 CB ASP A 127 12.184 -6.850 1.154 1.00 14.15 C ATOM 1915 CG ASP A 127 12.694 -8.228 0.796 1.00 33.20 C ATOM 1916 OD1 ASP A 127 12.548 -9.177 1.580 1.00 52.41 O ATOM 1917 OD2 ASP A 127 13.220 -8.380 -0.327 1.00 2.52 O ATOM 0 H ASP A 127 10.769 -4.873 1.300 1.00 24.50 H new ATOM 0 HA ASP A 127 10.280 -7.674 1.692 1.00 14.00 H new ATOM 0 HB2 ASP A 127 11.997 -6.296 0.234 1.00 14.15 H new ATOM 0 HB3 ASP A 127 12.966 -6.317 1.694 1.00 14.15 H new ATOM 1922 N ALA A 128 11.720 -5.848 4.043 1.00 42.11 N ATOM 1923 CA ALA A 128 12.128 -5.733 5.441 1.00 42.12 C ATOM 1924 C ALA A 128 10.972 -5.958 6.429 1.00 52.32 C ATOM 1925 O ALA A 128 11.176 -6.502 7.518 1.00 63.02 O ATOM 1926 CB ALA A 128 12.779 -4.387 5.687 1.00 55.45 C ATOM 0 H ALA A 128 11.817 -4.976 3.524 1.00 42.11 H new ATOM 0 HA ALA A 128 12.850 -6.529 5.623 1.00 42.12 H new ATOM 0 HB1 ALA A 128 13.079 -4.313 6.732 1.00 55.45 H new ATOM 0 HB2 ALA A 128 13.657 -4.286 5.050 1.00 55.45 H new ATOM 0 HB3 ALA A 128 12.070 -3.592 5.456 1.00 55.45 H new ATOM 1932 N LEU A 129 9.766 -5.537 6.079 1.00 13.23 N ATOM 1933 CA LEU A 129 8.626 -5.755 6.967 1.00 42.42 C ATOM 1934 C LEU A 129 8.251 -7.237 7.035 1.00 72.42 C ATOM 1935 O LEU A 129 7.877 -7.744 8.087 1.00 14.13 O ATOM 1936 CB LEU A 129 7.447 -4.812 6.639 1.00 45.13 C ATOM 1937 CG LEU A 129 6.879 -4.870 5.228 1.00 11.31 C ATOM 1938 CD1 LEU A 129 5.891 -6.000 5.079 1.00 31.53 C ATOM 1939 CD2 LEU A 129 6.266 -3.542 4.824 1.00 72.02 C ATOM 0 H LEU A 129 9.550 -5.053 5.208 1.00 13.23 H new ATOM 0 HA LEU A 129 8.924 -5.482 7.979 1.00 42.42 H new ATOM 0 HB2 LEU A 129 6.638 -5.027 7.337 1.00 45.13 H new ATOM 0 HB3 LEU A 129 7.770 -3.789 6.831 1.00 45.13 H new ATOM 0 HG LEU A 129 7.708 -5.068 4.549 1.00 11.31 H new ATOM 0 HD11 LEU A 129 5.504 -6.013 4.060 1.00 31.53 H new ATOM 0 HD12 LEU A 129 6.387 -6.947 5.291 1.00 31.53 H new ATOM 0 HD13 LEU A 129 5.067 -5.857 5.778 1.00 31.53 H new ATOM 0 HD21 LEU A 129 5.870 -3.617 3.811 1.00 72.02 H new ATOM 0 HD22 LEU A 129 5.459 -3.290 5.512 1.00 72.02 H new ATOM 0 HD23 LEU A 129 7.029 -2.764 4.858 1.00 72.02 H new ATOM 1951 N HIS A 130 8.445 -7.940 5.925 1.00 52.41 N ATOM 1952 CA HIS A 130 8.250 -9.393 5.872 1.00 44.34 C ATOM 1953 C HIS A 130 9.421 -10.093 6.520 1.00 73.35 C ATOM 1954 O HIS A 130 9.388 -11.285 6.800 1.00 61.14 O ATOM 1955 CB HIS A 130 8.069 -9.896 4.439 1.00 22.40 C ATOM 1956 CG HIS A 130 6.706 -9.682 3.882 1.00 24.13 C ATOM 1957 ND1 HIS A 130 6.381 -8.711 2.962 1.00 3.33 N ATOM 1958 CD2 HIS A 130 5.569 -10.380 4.110 1.00 32.55 C ATOM 1959 CE1 HIS A 130 5.083 -8.853 2.668 1.00 2.11 C ATOM 1960 NE2 HIS A 130 4.547 -9.855 3.342 1.00 45.22 N ATOM 0 H HIS A 130 8.740 -7.527 5.040 1.00 52.41 H new ATOM 0 HA HIS A 130 7.335 -9.622 6.418 1.00 44.34 H new ATOM 0 HB2 HIS A 130 8.794 -9.396 3.797 1.00 22.40 H new ATOM 0 HB3 HIS A 130 8.298 -10.961 4.409 1.00 22.40 H new ATOM 0 HD1 HIS A 130 7.014 -8.011 2.575 1.00 3.33 H new ATOM 0 HD2 HIS A 130 5.475 -11.217 4.786 1.00 32.55 H new ATOM 0 HE1 HIS A 130 4.544 -8.229 1.970 1.00 2.11 H new ATOM 1968 N ALA A 131 10.462 -9.336 6.732 1.00 33.44 N ATOM 1969 CA ALA A 131 11.666 -9.815 7.388 1.00 75.31 C ATOM 1970 C ALA A 131 11.568 -9.607 8.905 1.00 50.32 C ATOM 1971 O ALA A 131 12.525 -9.861 9.640 1.00 41.50 O ATOM 1972 CB ALA A 131 12.875 -9.089 6.830 1.00 65.23 C ATOM 0 H ALA A 131 10.507 -8.356 6.454 1.00 33.44 H new ATOM 0 HA ALA A 131 11.774 -10.883 7.197 1.00 75.31 H new ATOM 0 HB1 ALA A 131 13.777 -9.451 7.324 1.00 65.23 H new ATOM 0 HB2 ALA A 131 12.949 -9.275 5.759 1.00 65.23 H new ATOM 0 HB3 ALA A 131 12.770 -8.018 7.006 1.00 65.23 H new ATOM 1978 N HIS A 132 10.392 -9.113 9.347 1.00 73.22 N ATOM 1979 CA HIS A 132 10.075 -8.840 10.768 1.00 33.22 C ATOM 1980 C HIS A 132 11.007 -7.724 11.306 1.00 2.31 C ATOM 1981 O HIS A 132 11.224 -7.546 12.506 1.00 22.01 O ATOM 1982 CB HIS A 132 10.155 -10.172 11.588 1.00 22.34 C ATOM 1983 CG HIS A 132 9.789 -10.084 13.051 1.00 72.22 C ATOM 1984 ND1 HIS A 132 8.509 -9.870 13.525 1.00 33.12 N ATOM 1985 CD2 HIS A 132 10.576 -10.183 14.149 1.00 11.51 C ATOM 1986 CE1 HIS A 132 8.557 -9.845 14.856 1.00 12.43 C ATOM 1987 NE2 HIS A 132 9.794 -10.029 15.290 1.00 71.24 N ATOM 0 H HIS A 132 9.622 -8.888 8.717 1.00 73.22 H new ATOM 0 HA HIS A 132 9.055 -8.469 10.872 1.00 33.22 H new ATOM 0 HB2 HIS A 132 9.500 -10.904 11.115 1.00 22.34 H new ATOM 0 HB3 HIS A 132 11.171 -10.559 11.513 1.00 22.34 H new ATOM 0 HD2 HIS A 132 11.642 -10.354 14.140 1.00 11.51 H new ATOM 0 HE1 HIS A 132 7.700 -9.695 15.496 1.00 12.43 H new ATOM 0 HE2 HIS A 132 10.109 -10.053 16.260 1.00 71.24 H new ATOM 1995 N GLN A 133 11.434 -6.898 10.386 1.00 45.31 N ATOM 1996 CA GLN A 133 12.289 -5.764 10.658 1.00 20.14 C ATOM 1997 C GLN A 133 11.509 -4.505 10.361 1.00 24.11 C ATOM 1998 O GLN A 133 12.058 -3.446 10.076 1.00 74.45 O ATOM 1999 CB GLN A 133 13.603 -5.839 9.871 1.00 32.35 C ATOM 2000 CG GLN A 133 14.422 -7.076 10.213 1.00 73.43 C ATOM 2001 CD GLN A 133 15.818 -7.060 9.642 1.00 14.10 C ATOM 2002 OE1 GLN A 133 16.435 -6.009 9.477 1.00 1.13 O ATOM 2003 NE2 GLN A 133 16.337 -8.225 9.328 1.00 14.55 N ATOM 0 H GLN A 133 11.192 -6.995 9.400 1.00 45.31 H new ATOM 0 HA GLN A 133 12.582 -5.764 11.708 1.00 20.14 H new ATOM 0 HB2 GLN A 133 13.383 -5.837 8.803 1.00 32.35 H new ATOM 0 HB3 GLN A 133 14.196 -4.948 10.076 1.00 32.35 H new ATOM 0 HG2 GLN A 133 14.484 -7.171 11.297 1.00 73.43 H new ATOM 0 HG3 GLN A 133 13.899 -7.959 9.845 1.00 73.43 H new ATOM 0 HE21 GLN A 133 15.800 -9.079 9.477 1.00 14.55 H new ATOM 0 HE22 GLN A 133 17.277 -8.275 8.935 1.00 14.55 H new ATOM 2012 N ALA A 134 10.195 -4.661 10.450 1.00 11.22 N ATOM 2013 CA ALA A 134 9.206 -3.619 10.198 1.00 75.52 C ATOM 2014 C ALA A 134 9.477 -2.349 11.007 1.00 71.31 C ATOM 2015 O ALA A 134 9.115 -1.258 10.577 1.00 20.44 O ATOM 2016 CB ALA A 134 7.816 -4.147 10.484 1.00 71.54 C ATOM 0 H ALA A 134 9.771 -5.552 10.710 1.00 11.22 H new ATOM 0 HA ALA A 134 9.280 -3.344 9.146 1.00 75.52 H new ATOM 0 HB1 ALA A 134 7.083 -3.363 10.294 1.00 71.54 H new ATOM 0 HB2 ALA A 134 7.611 -5.001 9.838 1.00 71.54 H new ATOM 0 HB3 ALA A 134 7.752 -4.458 11.527 1.00 71.54 H new ATOM 2022 N ARG A 135 10.119 -2.501 12.166 1.00 5.04 N ATOM 2023 CA ARG A 135 10.474 -1.365 13.033 1.00 4.53 C ATOM 2024 C ARG A 135 11.315 -0.364 12.242 1.00 31.41 C ATOM 2025 O ARG A 135 11.089 0.858 12.310 1.00 43.31 O ATOM 2026 CB ARG A 135 11.327 -1.829 14.210 1.00 2.11 C ATOM 2027 CG ARG A 135 10.798 -3.026 14.963 1.00 1.20 C ATOM 2028 CD ARG A 135 11.741 -3.394 16.085 1.00 14.45 C ATOM 2029 NE ARG A 135 11.385 -4.664 16.718 1.00 51.42 N ATOM 2030 CZ ARG A 135 11.700 -5.008 17.961 1.00 31.13 C ATOM 2031 NH1 ARG A 135 12.361 -4.157 18.744 1.00 52.40 N ATOM 2032 NH2 ARG A 135 11.368 -6.209 18.414 1.00 21.12 N ATOM 0 H ARG A 135 10.408 -3.408 12.533 1.00 5.04 H new ATOM 0 HA ARG A 135 9.547 -0.916 13.391 1.00 4.53 H new ATOM 0 HB2 ARG A 135 12.325 -2.065 13.842 1.00 2.11 H new ATOM 0 HB3 ARG A 135 11.433 -0.999 14.909 1.00 2.11 H new ATOM 0 HG2 ARG A 135 9.810 -2.804 15.366 1.00 1.20 H new ATOM 0 HG3 ARG A 135 10.682 -3.870 14.284 1.00 1.20 H new ATOM 0 HD2 ARG A 135 12.757 -3.457 15.696 1.00 14.45 H new ATOM 0 HD3 ARG A 135 11.735 -2.603 16.835 1.00 14.45 H new ATOM 0 HE ARG A 135 10.855 -5.336 16.163 1.00 51.42 H new ATOM 0 HH11 ARG A 135 12.626 -3.238 18.389 1.00 52.40 H new ATOM 0 HH12 ARG A 135 12.602 -4.424 19.699 1.00 52.40 H new ATOM 0 HH21 ARG A 135 10.873 -6.864 17.808 1.00 21.12 H new ATOM 0 HH22 ARG A 135 11.608 -6.478 19.368 1.00 21.12 H new ATOM 2046 N GLU A 136 12.257 -0.898 11.465 1.00 33.10 N ATOM 2047 CA GLU A 136 13.149 -0.099 10.647 1.00 72.42 C ATOM 2048 C GLU A 136 12.354 0.605 9.576 1.00 45.30 C ATOM 2049 O GLU A 136 12.584 1.763 9.288 1.00 42.34 O ATOM 2050 CB GLU A 136 14.218 -0.977 9.985 1.00 33.41 C ATOM 2051 CG GLU A 136 15.034 -1.801 10.960 1.00 45.11 C ATOM 2052 CD GLU A 136 15.694 -0.958 12.010 1.00 11.21 C ATOM 2053 OE1 GLU A 136 16.722 -0.319 11.718 1.00 65.55 O ATOM 2054 OE2 GLU A 136 15.206 -0.921 13.148 1.00 33.13 O ATOM 0 H GLU A 136 12.418 -1.902 11.390 1.00 33.10 H new ATOM 0 HA GLU A 136 13.643 0.630 11.289 1.00 72.42 H new ATOM 0 HB2 GLU A 136 13.733 -1.648 9.276 1.00 33.41 H new ATOM 0 HB3 GLU A 136 14.892 -0.340 9.412 1.00 33.41 H new ATOM 0 HG2 GLU A 136 14.387 -2.535 11.441 1.00 45.11 H new ATOM 0 HG3 GLU A 136 15.795 -2.357 10.413 1.00 45.11 H new ATOM 2061 N VAL A 137 11.387 -0.109 9.026 1.00 50.34 N ATOM 2062 CA VAL A 137 10.509 0.403 7.979 1.00 62.12 C ATOM 2063 C VAL A 137 9.740 1.608 8.496 1.00 12.42 C ATOM 2064 O VAL A 137 9.699 2.650 7.845 1.00 23.44 O ATOM 2065 CB VAL A 137 9.514 -0.688 7.510 1.00 10.54 C ATOM 2066 CG1 VAL A 137 8.605 -0.179 6.394 1.00 12.13 C ATOM 2067 CG2 VAL A 137 10.267 -1.928 7.072 1.00 52.13 C ATOM 0 H VAL A 137 11.184 -1.072 9.294 1.00 50.34 H new ATOM 0 HA VAL A 137 11.124 0.698 7.129 1.00 62.12 H new ATOM 0 HB VAL A 137 8.874 -0.946 8.354 1.00 10.54 H new ATOM 0 HG11 VAL A 137 7.921 -0.972 6.091 1.00 12.13 H new ATOM 0 HG12 VAL A 137 8.033 0.676 6.753 1.00 12.13 H new ATOM 0 HG13 VAL A 137 9.211 0.123 5.540 1.00 12.13 H new ATOM 0 HG21 VAL A 137 9.557 -2.688 6.745 1.00 52.13 H new ATOM 0 HG22 VAL A 137 10.935 -1.676 6.248 1.00 52.13 H new ATOM 0 HG23 VAL A 137 10.851 -2.313 7.908 1.00 52.13 H new ATOM 2077 N VAL A 138 9.183 1.468 9.688 1.00 24.52 N ATOM 2078 CA VAL A 138 8.458 2.545 10.342 1.00 30.30 C ATOM 2079 C VAL A 138 9.396 3.740 10.571 1.00 52.11 C ATOM 2080 O VAL A 138 9.019 4.881 10.362 1.00 41.12 O ATOM 2081 CB VAL A 138 7.804 2.091 11.683 1.00 1.32 C ATOM 2082 CG1 VAL A 138 7.040 3.238 12.334 1.00 0.33 C ATOM 2083 CG2 VAL A 138 6.866 0.914 11.448 1.00 51.21 C ATOM 0 H VAL A 138 9.221 0.604 10.229 1.00 24.52 H new ATOM 0 HA VAL A 138 7.644 2.845 9.682 1.00 30.30 H new ATOM 0 HB VAL A 138 8.603 1.780 12.356 1.00 1.32 H new ATOM 0 HG11 VAL A 138 6.594 2.895 13.267 1.00 0.33 H new ATOM 0 HG12 VAL A 138 7.725 4.061 12.540 1.00 0.33 H new ATOM 0 HG13 VAL A 138 6.254 3.580 11.661 1.00 0.33 H new ATOM 0 HG21 VAL A 138 6.419 0.611 12.395 1.00 51.21 H new ATOM 0 HG22 VAL A 138 6.080 1.209 10.753 1.00 51.21 H new ATOM 0 HG23 VAL A 138 7.428 0.079 11.028 1.00 51.21 H new ATOM 2093 N ARG A 139 10.614 3.460 10.987 1.00 4.32 N ATOM 2094 CA ARG A 139 11.615 4.502 11.197 1.00 33.35 C ATOM 2095 C ARG A 139 11.960 5.223 9.870 1.00 10.21 C ATOM 2096 O ARG A 139 12.094 6.444 9.831 1.00 20.01 O ATOM 2097 CB ARG A 139 12.863 3.919 11.835 1.00 73.32 C ATOM 2098 CG ARG A 139 13.935 4.941 12.138 1.00 34.24 C ATOM 2099 CD ARG A 139 15.130 4.283 12.763 1.00 42.54 C ATOM 2100 NE ARG A 139 16.192 5.235 13.059 1.00 61.32 N ATOM 2101 CZ ARG A 139 17.457 4.902 13.303 1.00 50.35 C ATOM 2102 NH1 ARG A 139 17.844 3.632 13.212 1.00 42.21 N ATOM 2103 NH2 ARG A 139 18.335 5.834 13.618 1.00 73.11 N ATOM 0 H ARG A 139 10.942 2.516 11.189 1.00 4.32 H new ATOM 0 HA ARG A 139 11.194 5.243 11.877 1.00 33.35 H new ATOM 0 HB2 ARG A 139 12.584 3.415 12.761 1.00 73.32 H new ATOM 0 HB3 ARG A 139 13.277 3.160 11.171 1.00 73.32 H new ATOM 0 HG2 ARG A 139 14.231 5.449 11.220 1.00 34.24 H new ATOM 0 HG3 ARG A 139 13.539 5.703 12.810 1.00 34.24 H new ATOM 0 HD2 ARG A 139 14.827 3.782 13.683 1.00 42.54 H new ATOM 0 HD3 ARG A 139 15.511 3.514 12.092 1.00 42.54 H new ATOM 0 HE ARG A 139 15.949 6.225 13.081 1.00 61.32 H new ATOM 0 HH11 ARG A 139 17.170 2.911 12.955 1.00 42.21 H new ATOM 0 HH12 ARG A 139 18.814 3.380 13.400 1.00 42.21 H new ATOM 0 HH21 ARG A 139 18.044 6.810 13.675 1.00 73.11 H new ATOM 0 HH22 ARG A 139 19.305 5.579 13.805 1.00 73.11 H new ATOM 2117 N ARG A 140 12.066 4.459 8.785 1.00 4.32 N ATOM 2118 CA ARG A 140 12.330 5.039 7.458 1.00 12.12 C ATOM 2119 C ARG A 140 11.126 5.883 7.039 1.00 31.51 C ATOM 2120 O ARG A 140 11.268 6.928 6.419 1.00 32.32 O ATOM 2121 CB ARG A 140 12.603 3.944 6.403 1.00 70.10 C ATOM 2122 CG ARG A 140 13.728 2.976 6.767 1.00 32.12 C ATOM 2123 CD ARG A 140 15.086 3.649 6.890 1.00 13.32 C ATOM 2124 NE ARG A 140 16.068 2.742 7.513 1.00 22.22 N ATOM 2125 CZ ARG A 140 17.118 2.171 6.903 1.00 22.14 C ATOM 2126 NH1 ARG A 140 17.340 2.360 5.607 1.00 22.21 N ATOM 2127 NH2 ARG A 140 17.928 1.383 7.600 1.00 22.41 N ATOM 0 H ARG A 140 11.975 3.443 8.791 1.00 4.32 H new ATOM 0 HA ARG A 140 13.223 5.661 7.521 1.00 12.12 H new ATOM 0 HB2 ARG A 140 11.688 3.374 6.245 1.00 70.10 H new ATOM 0 HB3 ARG A 140 12.847 4.424 5.455 1.00 70.10 H new ATOM 0 HG2 ARG A 140 13.486 2.487 7.711 1.00 32.12 H new ATOM 0 HG3 ARG A 140 13.785 2.195 6.009 1.00 32.12 H new ATOM 0 HD2 ARG A 140 15.438 3.950 5.903 1.00 13.32 H new ATOM 0 HD3 ARG A 140 14.994 4.557 7.486 1.00 13.32 H new ATOM 0 HE ARG A 140 15.937 2.528 8.502 1.00 22.22 H new ATOM 0 HH11 ARG A 140 16.708 2.946 5.061 1.00 22.21 H new ATOM 0 HH12 ARG A 140 18.142 1.919 5.157 1.00 22.21 H new ATOM 0 HH21 ARG A 140 17.749 1.216 8.590 1.00 22.41 H new ATOM 0 HH22 ARG A 140 18.729 0.944 7.145 1.00 22.41 H new ATOM 2141 N ALA A 141 9.947 5.420 7.418 1.00 63.11 N ATOM 2142 CA ALA A 141 8.700 6.129 7.185 1.00 24.30 C ATOM 2143 C ALA A 141 8.716 7.459 7.921 1.00 63.04 C ATOM 2144 O ALA A 141 8.289 8.475 7.383 1.00 51.22 O ATOM 2145 CB ALA A 141 7.532 5.287 7.649 1.00 13.51 C ATOM 0 H ALA A 141 9.827 4.530 7.902 1.00 63.11 H new ATOM 0 HA ALA A 141 8.592 6.319 6.117 1.00 24.30 H new ATOM 0 HB1 ALA A 141 6.601 5.826 7.471 1.00 13.51 H new ATOM 0 HB2 ALA A 141 7.519 4.347 7.097 1.00 13.51 H new ATOM 0 HB3 ALA A 141 7.633 5.080 8.714 1.00 13.51 H new ATOM 2151 N GLN A 142 9.228 7.444 9.145 1.00 73.21 N ATOM 2152 CA GLN A 142 9.390 8.657 9.944 1.00 33.12 C ATOM 2153 C GLN A 142 10.338 9.617 9.241 1.00 13.24 C ATOM 2154 O GLN A 142 10.113 10.804 9.225 1.00 5.43 O ATOM 2155 CB GLN A 142 9.932 8.331 11.332 1.00 64.10 C ATOM 2156 CG GLN A 142 9.040 7.433 12.164 1.00 72.55 C ATOM 2157 CD GLN A 142 9.666 7.073 13.492 1.00 20.31 C ATOM 2158 OE1 GLN A 142 10.891 7.004 13.620 1.00 64.10 O ATOM 2159 NE2 GLN A 142 8.850 6.835 14.478 1.00 32.14 N ATOM 0 H GLN A 142 9.543 6.594 9.613 1.00 73.21 H new ATOM 0 HA GLN A 142 8.411 9.123 10.056 1.00 33.12 H new ATOM 0 HB2 GLN A 142 10.906 7.854 11.224 1.00 64.10 H new ATOM 0 HB3 GLN A 142 10.092 9.264 11.873 1.00 64.10 H new ATOM 0 HG2 GLN A 142 8.087 7.932 12.338 1.00 72.55 H new ATOM 0 HG3 GLN A 142 8.826 6.521 11.607 1.00 72.55 H new ATOM 0 HE21 GLN A 142 7.842 6.902 14.334 1.00 32.14 H new ATOM 0 HE22 GLN A 142 9.218 6.581 15.395 1.00 32.14 H new ATOM 2168 N ALA A 143 11.375 9.076 8.629 1.00 25.52 N ATOM 2169 CA ALA A 143 12.344 9.877 7.886 1.00 51.51 C ATOM 2170 C ALA A 143 11.716 10.485 6.622 1.00 51.22 C ATOM 2171 O ALA A 143 12.196 11.481 6.097 1.00 53.12 O ATOM 2172 CB ALA A 143 13.569 9.040 7.531 1.00 23.04 C ATOM 0 H ALA A 143 11.573 8.075 8.629 1.00 25.52 H new ATOM 0 HA ALA A 143 12.660 10.700 8.527 1.00 51.51 H new ATOM 0 HB1 ALA A 143 14.280 9.653 6.978 1.00 23.04 H new ATOM 0 HB2 ALA A 143 14.038 8.676 8.445 1.00 23.04 H new ATOM 0 HB3 ALA A 143 13.265 8.193 6.916 1.00 23.04 H new ATOM 2178 N MET A 144 10.649 9.879 6.140 1.00 40.11 N ATOM 2179 CA MET A 144 9.940 10.398 4.974 1.00 4.13 C ATOM 2180 C MET A 144 8.864 11.391 5.415 1.00 25.22 C ATOM 2181 O MET A 144 8.516 12.316 4.692 1.00 32.30 O ATOM 2182 CB MET A 144 9.278 9.263 4.167 1.00 14.53 C ATOM 2183 CG MET A 144 10.220 8.159 3.708 1.00 64.54 C ATOM 2184 SD MET A 144 11.564 8.737 2.649 1.00 35.04 S ATOM 2185 CE MET A 144 12.478 7.204 2.432 1.00 63.30 C ATOM 0 H MET A 144 10.250 9.027 6.533 1.00 40.11 H new ATOM 0 HA MET A 144 10.671 10.897 4.338 1.00 4.13 H new ATOM 0 HB2 MET A 144 8.491 8.817 4.776 1.00 14.53 H new ATOM 0 HB3 MET A 144 8.796 9.696 3.290 1.00 14.53 H new ATOM 0 HG2 MET A 144 10.646 7.670 4.584 1.00 64.54 H new ATOM 0 HG3 MET A 144 9.645 7.405 3.170 1.00 64.54 H new ATOM 0 HE1 MET A 144 13.346 7.385 1.798 1.00 63.30 H new ATOM 0 HE2 MET A 144 12.808 6.837 3.404 1.00 63.30 H new ATOM 0 HE3 MET A 144 11.834 6.460 1.962 1.00 63.30 H new ATOM 2195 N ALA A 145 8.338 11.184 6.603 1.00 72.03 N ATOM 2196 CA ALA A 145 7.269 12.016 7.125 1.00 2.21 C ATOM 2197 C ALA A 145 7.803 13.273 7.779 1.00 4.33 C ATOM 2198 O ALA A 145 7.290 14.367 7.544 1.00 74.02 O ATOM 2199 CB ALA A 145 6.399 11.235 8.098 1.00 24.45 C ATOM 0 H ALA A 145 8.635 10.439 7.233 1.00 72.03 H new ATOM 0 HA ALA A 145 6.654 12.321 6.278 1.00 2.21 H new ATOM 0 HB1 ALA A 145 5.606 11.880 8.475 1.00 24.45 H new ATOM 0 HB2 ALA A 145 5.959 10.379 7.586 1.00 24.45 H new ATOM 0 HB3 ALA A 145 7.009 10.885 8.931 1.00 24.45 H new ATOM 2205 N TYR A 146 8.821 13.119 8.577 1.00 23.53 N ATOM 2206 CA TYR A 146 9.416 14.216 9.281 1.00 70.24 C ATOM 2207 C TYR A 146 10.724 14.551 8.595 1.00 70.24 C ATOM 2208 O TYR A 146 11.780 14.012 8.996 1.00 36.97 O ATOM 2209 CB TYR A 146 9.677 13.832 10.753 1.00 14.43 C ATOM 2210 CG TYR A 146 8.468 13.282 11.487 1.00 23.11 C ATOM 2211 CD1 TYR A 146 7.462 14.117 11.940 1.00 11.25 C ATOM 2212 CD2 TYR A 146 8.346 11.916 11.731 1.00 43.13 C ATOM 2213 CE1 TYR A 146 6.363 13.610 12.609 1.00 54.55 C ATOM 2214 CE2 TYR A 146 7.254 11.402 12.397 1.00 70.33 C ATOM 2215 CZ TYR A 146 6.266 12.250 12.837 1.00 44.55 C ATOM 2216 OH TYR A 146 5.169 11.742 13.505 1.00 34.50 O ATOM 2217 OXT TYR A 146 10.714 15.310 7.607 1.00 36.97 O ATOM 0 H TYR A 146 9.265 12.219 8.758 1.00 23.53 H new ATOM 0 HA TYR A 146 8.746 15.076 9.271 1.00 70.24 H new ATOM 0 HB2 TYR A 146 10.474 13.089 10.785 1.00 14.43 H new ATOM 0 HB3 TYR A 146 10.040 14.711 11.285 1.00 14.43 H new ATOM 0 HD1 TYR A 146 7.536 15.181 11.769 1.00 11.25 H new ATOM 0 HD2 TYR A 146 9.122 11.246 11.392 1.00 43.13 H new ATOM 0 HE1 TYR A 146 5.583 14.274 12.952 1.00 54.55 H new ATOM 0 HE2 TYR A 146 7.175 10.339 12.572 1.00 70.33 H new ATOM 0 HH TYR A 146 5.255 10.769 13.582 1.00 34.50 H new