USER MOD reduce.3.24.130724 H: found=0, std=0, add=942, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 940 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 110 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 121 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 44 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 48 GLN : amide:sc= -0.0218 X(o=-0.022,f=-0.34) USER MOD Single : A 29 THR OG1 : rot 160:sc= 0.147 USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 167:sc= -0.0151 (180deg=-0.164) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 HIS : no HD1:sc= -0.289 X(o=-0.29,f=-0.34) USER MOD Single : A 68 GLN :FLIP amide:sc= -1.72 F(o=-4.2!,f=-1.7) USER MOD Single : A 72 THR OG1 : rot -68:sc= 1.04 USER MOD Single : A 73 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc=-0.000172 X(o=-0.00017,f=-0.00017) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 SER OG : rot -36:sc= 0.392 USER MOD Single : A 86 THR OG1 : rot 91:sc= 1.32 USER MOD Single : A 89 HIS : no HD1:sc=-0.00371 X(o=-0.0037,f=0) USER MOD Single : A 93 TYR OH : rot -94:sc= 1.22 USER MOD Single : A 96 THR OG1 : rot 8:sc= -0.0376 USER MOD Single : A 99 MET CE :methyl 167:sc= -0.314 (180deg=-0.846) USER MOD Single : A 104 THR OG1 : rot 102:sc= 1.25 USER MOD Single : A 108 SER OG : rot 39:sc= 1.22 USER MOD Single : A 122 ASN : amide:sc= -0.357 K(o=-0.36,f=-4.4!) USER MOD Single : A 130 HIS : no HE2:sc= 0.361 K(o=0.36,f=-1.4) USER MOD Single : A 132 HIS : no HD1:sc= -0.155 X(o=-0.16,f=-0.16) USER MOD Single : A 133 GLN : amide:sc= 0 K(o=0,f=-0.52) USER MOD Single : A 142 GLN : amide:sc= 0 K(o=0,f=-0.86) USER MOD Single : A 144 MET CE :methyl -173:sc= 0 (180deg=-0.105) USER MOD Single : A 146 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 239 N ALA A 18 -8.571 5.243 -4.594 1.00 2.52 N ATOM 240 CA ALA A 18 -7.272 4.743 -4.962 1.00 43.23 C ATOM 241 C ALA A 18 -6.467 5.836 -5.620 1.00 34.25 C ATOM 242 O ALA A 18 -7.042 6.692 -6.319 1.00 22.41 O ATOM 243 CB ALA A 18 -7.425 3.559 -5.892 1.00 41.25 C ATOM 0 HA ALA A 18 -6.743 4.417 -4.066 1.00 43.23 H new ATOM 0 HB1 ALA A 18 -6.440 3.184 -6.168 1.00 41.25 H new ATOM 0 HB2 ALA A 18 -7.986 2.771 -5.389 1.00 41.25 H new ATOM 0 HB3 ALA A 18 -7.960 3.868 -6.790 1.00 41.25 H new ATOM 249 N GLY A 19 -5.182 5.844 -5.403 1.00 4.13 N ATOM 250 CA GLY A 19 -4.343 6.796 -6.061 1.00 24.43 C ATOM 251 C GLY A 19 -3.677 6.222 -7.296 1.00 22.32 C ATOM 252 O GLY A 19 -4.339 5.603 -8.154 1.00 71.33 O ATOM 0 H GLY A 19 -4.697 5.202 -4.776 1.00 4.13 H new ATOM 0 HA2 GLY A 19 -4.936 7.666 -6.342 1.00 24.43 H new ATOM 0 HA3 GLY A 19 -3.578 7.143 -5.367 1.00 24.43 H new ATOM 256 N ASP A 20 -2.391 6.368 -7.358 1.00 50.52 N ATOM 257 CA ASP A 20 -1.599 5.988 -8.516 1.00 73.31 C ATOM 258 C ASP A 20 -0.757 4.763 -8.166 1.00 41.14 C ATOM 259 O ASP A 20 -0.352 4.599 -7.018 1.00 71.45 O ATOM 260 CB ASP A 20 -0.717 7.182 -8.900 1.00 2.13 C ATOM 261 CG ASP A 20 0.069 7.014 -10.173 1.00 23.04 C ATOM 262 OD1 ASP A 20 -0.530 7.082 -11.270 1.00 45.54 O ATOM 263 OD2 ASP A 20 1.307 6.894 -10.101 1.00 31.12 O ATOM 0 H ASP A 20 -1.838 6.762 -6.596 1.00 50.52 H new ATOM 0 HA ASP A 20 -2.234 5.728 -9.363 1.00 73.31 H new ATOM 0 HB2 ASP A 20 -1.349 8.065 -8.996 1.00 2.13 H new ATOM 0 HB3 ASP A 20 -0.020 7.376 -8.084 1.00 2.13 H new ATOM 268 N ASP A 21 -0.527 3.895 -9.124 1.00 44.54 N ATOM 269 CA ASP A 21 0.200 2.654 -8.867 1.00 64.12 C ATOM 270 C ASP A 21 1.722 2.839 -8.970 1.00 65.01 C ATOM 271 O ASP A 21 2.242 3.339 -9.967 1.00 44.21 O ATOM 272 CB ASP A 21 -0.282 1.521 -9.801 1.00 5.40 C ATOM 273 CG ASP A 21 0.029 1.738 -11.285 1.00 75.11 C ATOM 274 OD1 ASP A 21 -0.566 2.635 -11.922 1.00 64.14 O ATOM 275 OD2 ASP A 21 0.871 0.985 -11.849 1.00 74.25 O ATOM 0 H ASP A 21 -0.829 4.017 -10.091 1.00 44.54 H new ATOM 0 HA ASP A 21 -0.020 2.367 -7.839 1.00 64.12 H new ATOM 0 HB2 ASP A 21 0.176 0.585 -9.481 1.00 5.40 H new ATOM 0 HB3 ASP A 21 -1.359 1.405 -9.683 1.00 5.40 H new ATOM 280 N VAL A 22 2.431 2.463 -7.919 1.00 31.51 N ATOM 281 CA VAL A 22 3.898 2.560 -7.899 1.00 2.44 C ATOM 282 C VAL A 22 4.557 1.214 -8.259 1.00 13.11 C ATOM 283 O VAL A 22 5.642 1.176 -8.857 1.00 75.53 O ATOM 284 CB VAL A 22 4.427 3.070 -6.518 1.00 13.32 C ATOM 285 CG1 VAL A 22 5.953 3.153 -6.496 1.00 45.02 C ATOM 286 CG2 VAL A 22 3.832 4.436 -6.195 1.00 45.53 C ATOM 0 H VAL A 22 2.023 2.086 -7.063 1.00 31.51 H new ATOM 0 HA VAL A 22 4.175 3.292 -8.658 1.00 2.44 H new ATOM 0 HB VAL A 22 4.116 2.350 -5.761 1.00 13.32 H new ATOM 0 HG11 VAL A 22 6.284 3.511 -5.521 1.00 45.02 H new ATOM 0 HG12 VAL A 22 6.374 2.165 -6.682 1.00 45.02 H new ATOM 0 HG13 VAL A 22 6.291 3.843 -7.270 1.00 45.02 H new ATOM 0 HG21 VAL A 22 4.209 4.778 -5.231 1.00 45.53 H new ATOM 0 HG22 VAL A 22 4.115 5.149 -6.969 1.00 45.53 H new ATOM 0 HG23 VAL A 22 2.746 4.359 -6.153 1.00 45.53 H new ATOM 296 N LEU A 23 3.899 0.118 -7.914 1.00 34.33 N ATOM 297 CA LEU A 23 4.430 -1.212 -8.220 1.00 41.40 C ATOM 298 C LEU A 23 4.404 -1.537 -9.715 1.00 44.35 C ATOM 299 O LEU A 23 3.847 -0.782 -10.521 1.00 74.02 O ATOM 300 CB LEU A 23 3.798 -2.331 -7.352 1.00 70.01 C ATOM 301 CG LEU A 23 2.283 -2.291 -7.051 1.00 51.45 C ATOM 302 CD1 LEU A 23 1.438 -2.259 -8.309 1.00 51.13 C ATOM 303 CD2 LEU A 23 1.907 -3.497 -6.215 1.00 61.32 C ATOM 0 H LEU A 23 3.003 0.117 -7.426 1.00 34.33 H new ATOM 0 HA LEU A 23 5.483 -1.178 -7.941 1.00 41.40 H new ATOM 0 HB2 LEU A 23 4.010 -3.283 -7.840 1.00 70.01 H new ATOM 0 HB3 LEU A 23 4.322 -2.339 -6.396 1.00 70.01 H new ATOM 0 HG LEU A 23 2.082 -1.369 -6.506 1.00 51.45 H new ATOM 0 HD11 LEU A 23 0.383 -2.232 -8.038 1.00 51.13 H new ATOM 0 HD12 LEU A 23 1.686 -1.372 -8.892 1.00 51.13 H new ATOM 0 HD13 LEU A 23 1.637 -3.151 -8.904 1.00 51.13 H new ATOM 0 HD21 LEU A 23 0.839 -3.472 -6.001 1.00 61.32 H new ATOM 0 HD22 LEU A 23 2.146 -4.408 -6.763 1.00 61.32 H new ATOM 0 HD23 LEU A 23 2.465 -3.479 -5.279 1.00 61.32 H new ATOM 315 N ASP A 24 5.012 -2.632 -10.084 1.00 50.40 N ATOM 316 CA ASP A 24 5.114 -3.029 -11.478 1.00 63.32 C ATOM 317 C ASP A 24 3.865 -3.800 -11.908 1.00 52.41 C ATOM 318 O ASP A 24 3.325 -4.590 -11.121 1.00 11.34 O ATOM 319 CB ASP A 24 6.389 -3.862 -11.695 1.00 43.25 C ATOM 320 CG ASP A 24 6.558 -4.365 -13.106 1.00 15.03 C ATOM 321 OD1 ASP A 24 5.978 -5.409 -13.458 1.00 54.05 O ATOM 322 OD2 ASP A 24 7.301 -3.738 -13.883 1.00 52.32 O ATOM 0 H ASP A 24 5.454 -3.280 -9.432 1.00 50.40 H new ATOM 0 HA ASP A 24 5.181 -2.136 -12.099 1.00 63.32 H new ATOM 0 HB2 ASP A 24 7.256 -3.257 -11.429 1.00 43.25 H new ATOM 0 HB3 ASP A 24 6.374 -4.714 -11.015 1.00 43.25 H new ATOM 327 N PRO A 25 3.359 -3.551 -13.142 1.00 12.21 N ATOM 328 CA PRO A 25 2.149 -4.209 -13.692 1.00 75.14 C ATOM 329 C PRO A 25 2.140 -5.751 -13.602 1.00 13.12 C ATOM 330 O PRO A 25 1.062 -6.371 -13.577 1.00 3.00 O ATOM 331 CB PRO A 25 2.143 -3.768 -15.153 1.00 1.42 C ATOM 332 CG PRO A 25 2.827 -2.453 -15.150 1.00 11.54 C ATOM 333 CD PRO A 25 3.895 -2.547 -14.101 1.00 24.42 C ATOM 0 HA PRO A 25 1.270 -3.919 -13.116 1.00 75.14 H new ATOM 0 HB2 PRO A 25 2.666 -4.485 -15.786 1.00 1.42 H new ATOM 0 HB3 PRO A 25 1.127 -3.685 -15.538 1.00 1.42 H new ATOM 0 HG2 PRO A 25 3.258 -2.235 -16.127 1.00 11.54 H new ATOM 0 HG3 PRO A 25 2.127 -1.649 -14.923 1.00 11.54 H new ATOM 0 HD2 PRO A 25 4.847 -2.867 -14.526 1.00 24.42 H new ATOM 0 HD3 PRO A 25 4.068 -1.585 -13.619 1.00 24.42 H new ATOM 341 N ASP A 26 3.308 -6.368 -13.538 1.00 22.42 N ATOM 342 CA ASP A 26 3.385 -7.827 -13.480 1.00 74.41 C ATOM 343 C ASP A 26 3.239 -8.337 -12.059 1.00 55.43 C ATOM 344 O ASP A 26 2.770 -9.461 -11.844 1.00 21.21 O ATOM 345 CB ASP A 26 4.693 -8.340 -14.090 1.00 4.03 C ATOM 346 CG ASP A 26 4.802 -9.855 -14.095 1.00 53.13 C ATOM 347 OD1 ASP A 26 4.146 -10.521 -14.948 1.00 13.20 O ATOM 348 OD2 ASP A 26 5.568 -10.414 -13.274 1.00 61.01 O ATOM 0 H ASP A 26 4.210 -5.892 -13.525 1.00 22.42 H new ATOM 0 HA ASP A 26 2.553 -8.213 -14.069 1.00 74.41 H new ATOM 0 HB2 ASP A 26 4.777 -7.974 -15.113 1.00 4.03 H new ATOM 0 HB3 ASP A 26 5.533 -7.924 -13.533 1.00 4.03 H new ATOM 353 N GLU A 27 3.580 -7.499 -11.092 1.00 22.10 N ATOM 354 CA GLU A 27 3.559 -7.895 -9.695 1.00 33.20 C ATOM 355 C GLU A 27 2.145 -8.254 -9.250 1.00 32.41 C ATOM 356 O GLU A 27 1.179 -7.536 -9.567 1.00 54.24 O ATOM 357 CB GLU A 27 4.195 -6.832 -8.803 1.00 64.31 C ATOM 358 CG GLU A 27 5.640 -6.573 -9.179 1.00 21.12 C ATOM 359 CD GLU A 27 6.351 -5.614 -8.260 1.00 63.33 C ATOM 360 OE1 GLU A 27 6.198 -4.392 -8.401 1.00 1.13 O ATOM 361 OE2 GLU A 27 7.121 -6.086 -7.403 1.00 25.40 O ATOM 0 H GLU A 27 3.876 -6.536 -11.252 1.00 22.10 H new ATOM 0 HA GLU A 27 4.167 -8.794 -9.590 1.00 33.20 H new ATOM 0 HB2 GLU A 27 3.627 -5.905 -8.881 1.00 64.31 H new ATOM 0 HB3 GLU A 27 4.142 -7.152 -7.762 1.00 64.31 H new ATOM 0 HG2 GLU A 27 6.178 -7.521 -9.185 1.00 21.12 H new ATOM 0 HG3 GLU A 27 5.675 -6.180 -10.195 1.00 21.12 H new ATOM 368 N PRO A 28 2.006 -9.399 -8.560 1.00 14.21 N ATOM 369 CA PRO A 28 0.713 -9.933 -8.154 1.00 42.53 C ATOM 370 C PRO A 28 -0.026 -9.031 -7.172 1.00 13.45 C ATOM 371 O PRO A 28 0.569 -8.413 -6.264 1.00 75.11 O ATOM 372 CB PRO A 28 1.055 -11.282 -7.517 1.00 73.32 C ATOM 373 CG PRO A 28 2.471 -11.154 -7.092 1.00 65.43 C ATOM 374 CD PRO A 28 3.118 -10.263 -8.106 1.00 1.24 C ATOM 0 HA PRO A 28 0.033 -10.016 -9.002 1.00 42.53 H new ATOM 0 HB2 PRO A 28 0.405 -11.494 -6.668 1.00 73.32 H new ATOM 0 HB3 PRO A 28 0.928 -12.098 -8.228 1.00 73.32 H new ATOM 0 HG2 PRO A 28 2.543 -10.726 -6.092 1.00 65.43 H new ATOM 0 HG3 PRO A 28 2.959 -12.128 -7.058 1.00 65.43 H new ATOM 0 HD2 PRO A 28 3.928 -9.679 -7.670 1.00 1.24 H new ATOM 0 HD3 PRO A 28 3.545 -10.835 -8.930 1.00 1.24 H new ATOM 382 N THR A 29 -1.303 -8.958 -7.352 1.00 33.11 N ATOM 383 CA THR A 29 -2.144 -8.140 -6.556 1.00 42.44 C ATOM 384 C THR A 29 -3.409 -8.881 -6.178 1.00 72.20 C ATOM 385 O THR A 29 -3.634 -10.013 -6.607 1.00 61.12 O ATOM 386 CB THR A 29 -2.510 -6.841 -7.314 1.00 13.55 C ATOM 387 OG1 THR A 29 -2.838 -7.140 -8.691 1.00 55.14 O ATOM 388 CG2 THR A 29 -1.390 -5.807 -7.242 1.00 62.24 C ATOM 0 H THR A 29 -1.799 -9.480 -8.075 1.00 33.11 H new ATOM 0 HA THR A 29 -1.601 -7.882 -5.647 1.00 42.44 H new ATOM 0 HB THR A 29 -3.384 -6.408 -6.827 1.00 13.55 H new ATOM 0 HG1 THR A 29 -3.363 -6.404 -9.069 1.00 55.14 H new ATOM 0 HG21 THR A 29 -1.687 -4.911 -7.786 1.00 62.24 H new ATOM 0 HG22 THR A 29 -1.197 -5.552 -6.200 1.00 62.24 H new ATOM 0 HG23 THR A 29 -0.485 -6.219 -7.688 1.00 62.24 H new ATOM 396 N TYR A 30 -4.182 -8.268 -5.356 1.00 2.53 N ATOM 397 CA TYR A 30 -5.473 -8.744 -4.969 1.00 64.20 C ATOM 398 C TYR A 30 -6.445 -7.643 -5.266 1.00 31.14 C ATOM 399 O TYR A 30 -6.038 -6.527 -5.428 1.00 74.14 O ATOM 400 CB TYR A 30 -5.525 -9.078 -3.476 1.00 0.11 C ATOM 401 CG TYR A 30 -4.678 -10.248 -3.071 1.00 62.45 C ATOM 402 CD1 TYR A 30 -4.841 -11.464 -3.686 1.00 21.32 C ATOM 403 CD2 TYR A 30 -3.739 -10.143 -2.069 1.00 50.22 C ATOM 404 CE1 TYR A 30 -4.102 -12.552 -3.329 1.00 52.32 C ATOM 405 CE2 TYR A 30 -2.983 -11.231 -1.697 1.00 43.32 C ATOM 406 CZ TYR A 30 -3.169 -12.437 -2.334 1.00 11.30 C ATOM 407 OH TYR A 30 -2.419 -13.522 -1.978 1.00 3.03 O ATOM 0 H TYR A 30 -3.928 -7.385 -4.913 1.00 2.53 H new ATOM 0 HA TYR A 30 -5.710 -9.658 -5.514 1.00 64.20 H new ATOM 0 HB2 TYR A 30 -5.208 -8.202 -2.909 1.00 0.11 H new ATOM 0 HB3 TYR A 30 -6.559 -9.280 -3.198 1.00 0.11 H new ATOM 0 HD1 TYR A 30 -5.574 -11.561 -4.473 1.00 21.32 H new ATOM 0 HD2 TYR A 30 -3.594 -9.196 -1.570 1.00 50.22 H new ATOM 0 HE1 TYR A 30 -4.251 -13.498 -3.828 1.00 52.32 H new ATOM 0 HE2 TYR A 30 -2.249 -11.139 -0.910 1.00 43.32 H new ATOM 0 HH TYR A 30 -1.803 -13.272 -1.258 1.00 3.03 H new ATOM 417 N ASP A 31 -7.670 -7.947 -5.390 1.00 60.10 N ATOM 418 CA ASP A 31 -8.690 -6.954 -5.588 1.00 74.23 C ATOM 419 C ASP A 31 -9.843 -7.348 -4.701 1.00 20.33 C ATOM 420 O ASP A 31 -9.757 -8.395 -4.060 1.00 52.41 O ATOM 421 CB ASP A 31 -9.116 -6.848 -7.064 1.00 53.03 C ATOM 422 CG ASP A 31 -10.004 -7.972 -7.556 1.00 41.51 C ATOM 423 OD1 ASP A 31 -9.807 -9.144 -7.152 1.00 42.43 O ATOM 424 OD2 ASP A 31 -10.932 -7.676 -8.328 1.00 15.33 O ATOM 0 H ASP A 31 -8.021 -8.904 -5.359 1.00 60.10 H new ATOM 0 HA ASP A 31 -8.318 -5.963 -5.328 1.00 74.23 H new ATOM 0 HB2 ASP A 31 -9.639 -5.902 -7.209 1.00 53.03 H new ATOM 0 HB3 ASP A 31 -8.220 -6.815 -7.684 1.00 53.03 H new ATOM 429 N LEU A 32 -10.864 -6.513 -4.614 1.00 3.43 N ATOM 430 CA LEU A 32 -12.012 -6.709 -3.701 1.00 24.54 C ATOM 431 C LEU A 32 -12.483 -8.189 -3.522 1.00 73.02 C ATOM 432 O LEU A 32 -12.414 -8.715 -2.397 1.00 41.20 O ATOM 433 CB LEU A 32 -13.184 -5.766 -4.034 1.00 34.04 C ATOM 434 CG LEU A 32 -13.014 -4.277 -3.667 1.00 44.11 C ATOM 435 CD1 LEU A 32 -12.699 -4.089 -2.187 1.00 20.12 C ATOM 436 CD2 LEU A 32 -11.995 -3.564 -4.550 1.00 30.32 C ATOM 0 H LEU A 32 -10.934 -5.665 -5.176 1.00 3.43 H new ATOM 0 HA LEU A 32 -11.622 -6.433 -2.721 1.00 24.54 H new ATOM 0 HB2 LEU A 32 -13.376 -5.831 -5.105 1.00 34.04 H new ATOM 0 HB3 LEU A 32 -14.074 -6.140 -3.527 1.00 34.04 H new ATOM 0 HG LEU A 32 -13.977 -3.805 -3.861 1.00 44.11 H new ATOM 0 HD11 LEU A 32 -12.587 -3.027 -1.971 1.00 20.12 H new ATOM 0 HD12 LEU A 32 -13.512 -4.498 -1.587 1.00 20.12 H new ATOM 0 HD13 LEU A 32 -11.772 -4.608 -1.943 1.00 20.12 H new ATOM 0 HD21 LEU A 32 -11.917 -2.520 -4.246 1.00 30.32 H new ATOM 0 HD22 LEU A 32 -11.023 -4.046 -4.446 1.00 30.32 H new ATOM 0 HD23 LEU A 32 -12.316 -3.616 -5.590 1.00 30.32 H new ATOM 448 N PRO A 33 -12.931 -8.907 -4.596 1.00 11.01 N ATOM 449 CA PRO A 33 -13.346 -10.305 -4.455 1.00 1.42 C ATOM 450 C PRO A 33 -12.175 -11.246 -4.101 1.00 72.32 C ATOM 451 O PRO A 33 -12.352 -12.210 -3.358 1.00 52.12 O ATOM 452 CB PRO A 33 -13.939 -10.661 -5.825 1.00 54.35 C ATOM 453 CG PRO A 33 -13.330 -9.688 -6.771 1.00 4.11 C ATOM 454 CD PRO A 33 -13.101 -8.427 -5.992 1.00 22.32 C ATOM 0 HA PRO A 33 -14.054 -10.426 -3.635 1.00 1.42 H new ATOM 0 HB2 PRO A 33 -13.699 -11.687 -6.105 1.00 54.35 H new ATOM 0 HB3 PRO A 33 -15.026 -10.578 -5.819 1.00 54.35 H new ATOM 0 HG2 PRO A 33 -12.392 -10.072 -7.173 1.00 4.11 H new ATOM 0 HG3 PRO A 33 -13.990 -9.506 -7.619 1.00 4.11 H new ATOM 0 HD2 PRO A 33 -12.218 -7.893 -6.343 1.00 22.32 H new ATOM 0 HD3 PRO A 33 -13.944 -7.742 -6.081 1.00 22.32 H new ATOM 462 N ARG A 34 -10.982 -10.950 -4.610 1.00 32.21 N ATOM 463 CA ARG A 34 -9.808 -11.786 -4.370 1.00 45.43 C ATOM 464 C ARG A 34 -9.345 -11.676 -2.906 1.00 65.23 C ATOM 465 O ARG A 34 -8.857 -12.644 -2.330 1.00 24.50 O ATOM 466 CB ARG A 34 -8.678 -11.360 -5.283 1.00 24.21 C ATOM 467 CG ARG A 34 -7.578 -12.378 -5.487 1.00 44.33 C ATOM 468 CD ARG A 34 -8.089 -13.592 -6.210 1.00 12.02 C ATOM 469 NE ARG A 34 -7.001 -14.450 -6.683 1.00 30.54 N ATOM 470 CZ ARG A 34 -7.083 -15.247 -7.749 1.00 42.40 C ATOM 471 NH1 ARG A 34 -8.249 -15.410 -8.366 1.00 21.42 N ATOM 472 NH2 ARG A 34 -6.007 -15.893 -8.174 1.00 13.01 N ATOM 0 H ARG A 34 -10.802 -10.133 -5.194 1.00 32.21 H new ATOM 0 HA ARG A 34 -10.081 -12.821 -4.576 1.00 45.43 H new ATOM 0 HB2 ARG A 34 -9.098 -11.107 -6.256 1.00 24.21 H new ATOM 0 HB3 ARG A 34 -8.234 -10.449 -4.881 1.00 24.21 H new ATOM 0 HG2 ARG A 34 -6.764 -11.929 -6.056 1.00 44.33 H new ATOM 0 HG3 ARG A 34 -7.168 -12.673 -4.521 1.00 44.33 H new ATOM 0 HD2 ARG A 34 -8.738 -14.163 -5.545 1.00 12.02 H new ATOM 0 HD3 ARG A 34 -8.698 -13.279 -7.058 1.00 12.02 H new ATOM 0 HE ARG A 34 -6.123 -14.437 -6.163 1.00 30.54 H new ATOM 0 HH11 ARG A 34 -9.079 -14.926 -8.024 1.00 21.42 H new ATOM 0 HH12 ARG A 34 -8.314 -16.019 -9.182 1.00 21.42 H new ATOM 0 HH21 ARG A 34 -5.118 -15.780 -7.686 1.00 13.01 H new ATOM 0 HH22 ARG A 34 -6.067 -16.503 -8.989 1.00 13.01 H new ATOM 486 N VAL A 35 -9.479 -10.493 -2.316 1.00 3.31 N ATOM 487 CA VAL A 35 -9.107 -10.303 -0.912 1.00 24.11 C ATOM 488 C VAL A 35 -10.089 -11.056 -0.036 1.00 54.20 C ATOM 489 O VAL A 35 -9.700 -11.736 0.927 1.00 22.31 O ATOM 490 CB VAL A 35 -9.069 -8.807 -0.479 1.00 30.23 C ATOM 491 CG1 VAL A 35 -8.641 -8.672 0.980 1.00 43.12 C ATOM 492 CG2 VAL A 35 -8.137 -8.007 -1.357 1.00 5.31 C ATOM 0 H VAL A 35 -9.838 -9.658 -2.779 1.00 3.31 H new ATOM 0 HA VAL A 35 -8.094 -10.688 -0.793 1.00 24.11 H new ATOM 0 HB VAL A 35 -10.079 -8.412 -0.590 1.00 30.23 H new ATOM 0 HG11 VAL A 35 -8.622 -7.618 1.258 1.00 43.12 H new ATOM 0 HG12 VAL A 35 -9.348 -9.203 1.617 1.00 43.12 H new ATOM 0 HG13 VAL A 35 -7.646 -9.099 1.108 1.00 43.12 H new ATOM 0 HG21 VAL A 35 -8.132 -6.967 -1.030 1.00 5.31 H new ATOM 0 HG22 VAL A 35 -7.129 -8.415 -1.284 1.00 5.31 H new ATOM 0 HG23 VAL A 35 -8.476 -8.060 -2.391 1.00 5.31 H new ATOM 502 N ALA A 36 -11.354 -10.968 -0.414 1.00 33.31 N ATOM 503 CA ALA A 36 -12.425 -11.660 0.276 1.00 13.51 C ATOM 504 C ALA A 36 -12.177 -13.166 0.231 1.00 40.51 C ATOM 505 O ALA A 36 -12.376 -13.885 1.232 1.00 63.24 O ATOM 506 CB ALA A 36 -13.756 -11.323 -0.381 1.00 34.04 C ATOM 0 H ALA A 36 -11.666 -10.412 -1.211 1.00 33.31 H new ATOM 0 HA ALA A 36 -12.455 -11.340 1.318 1.00 13.51 H new ATOM 0 HB1 ALA A 36 -14.560 -11.844 0.139 1.00 34.04 H new ATOM 0 HB2 ALA A 36 -13.926 -10.248 -0.328 1.00 34.04 H new ATOM 0 HB3 ALA A 36 -13.736 -11.636 -1.425 1.00 34.04 H new ATOM 512 N GLU A 37 -11.704 -13.607 -0.929 1.00 51.00 N ATOM 513 CA GLU A 37 -11.358 -14.987 -1.220 1.00 31.42 C ATOM 514 C GLU A 37 -10.213 -15.437 -0.307 1.00 23.45 C ATOM 515 O GLU A 37 -10.264 -16.503 0.292 1.00 50.01 O ATOM 516 CB GLU A 37 -10.844 -15.044 -2.660 1.00 53.41 C ATOM 517 CG GLU A 37 -10.773 -16.422 -3.282 1.00 42.20 C ATOM 518 CD GLU A 37 -12.126 -16.920 -3.697 1.00 73.34 C ATOM 519 OE1 GLU A 37 -12.602 -16.517 -4.784 1.00 44.02 O ATOM 520 OE2 GLU A 37 -12.742 -17.705 -2.964 1.00 50.24 O ATOM 0 H GLU A 37 -11.546 -12.985 -1.722 1.00 51.00 H new ATOM 0 HA GLU A 37 -12.229 -15.625 -1.071 1.00 31.42 H new ATOM 0 HB2 GLU A 37 -11.487 -14.419 -3.280 1.00 53.41 H new ATOM 0 HB3 GLU A 37 -9.848 -14.602 -2.688 1.00 53.41 H new ATOM 0 HG2 GLU A 37 -10.114 -16.395 -4.150 1.00 42.20 H new ATOM 0 HG3 GLU A 37 -10.332 -17.119 -2.570 1.00 42.20 H new ATOM 527 N LEU A 38 -9.208 -14.585 -0.188 1.00 1.40 N ATOM 528 CA LEU A 38 -7.997 -14.888 0.554 1.00 64.05 C ATOM 529 C LEU A 38 -8.234 -14.932 2.058 1.00 62.13 C ATOM 530 O LEU A 38 -7.847 -15.898 2.732 1.00 62.22 O ATOM 531 CB LEU A 38 -6.914 -13.849 0.250 1.00 32.35 C ATOM 532 CG LEU A 38 -5.566 -14.066 0.943 1.00 32.53 C ATOM 533 CD1 LEU A 38 -4.839 -15.282 0.381 1.00 52.31 C ATOM 534 CD2 LEU A 38 -4.711 -12.823 0.850 1.00 20.24 C ATOM 0 H LEU A 38 -9.211 -13.655 -0.608 1.00 1.40 H new ATOM 0 HA LEU A 38 -7.672 -15.878 0.234 1.00 64.05 H new ATOM 0 HB2 LEU A 38 -6.748 -13.830 -0.827 1.00 32.35 H new ATOM 0 HB3 LEU A 38 -7.291 -12.866 0.532 1.00 32.35 H new ATOM 0 HG LEU A 38 -5.760 -14.264 1.997 1.00 32.53 H new ATOM 0 HD11 LEU A 38 -3.886 -15.406 0.896 1.00 52.31 H new ATOM 0 HD12 LEU A 38 -5.450 -16.172 0.529 1.00 52.31 H new ATOM 0 HD13 LEU A 38 -4.660 -15.138 -0.685 1.00 52.31 H new ATOM 0 HD21 LEU A 38 -3.758 -12.999 1.349 1.00 20.24 H new ATOM 0 HD22 LEU A 38 -4.533 -12.581 -0.198 1.00 20.24 H new ATOM 0 HD23 LEU A 38 -5.225 -11.991 1.332 1.00 20.24 H new ATOM 546 N LEU A 39 -8.870 -13.901 2.580 1.00 22.51 N ATOM 547 CA LEU A 39 -9.057 -13.788 4.019 1.00 40.12 C ATOM 548 C LEU A 39 -10.236 -14.601 4.501 1.00 12.31 C ATOM 549 O LEU A 39 -10.319 -14.947 5.691 1.00 3.54 O ATOM 550 CB LEU A 39 -9.211 -12.323 4.435 1.00 43.31 C ATOM 551 CG LEU A 39 -8.024 -11.397 4.131 1.00 72.11 C ATOM 552 CD1 LEU A 39 -8.328 -9.978 4.582 1.00 74.35 C ATOM 553 CD2 LEU A 39 -6.753 -11.904 4.799 1.00 75.30 C ATOM 0 H LEU A 39 -9.264 -13.133 2.036 1.00 22.51 H new ATOM 0 HA LEU A 39 -8.163 -14.194 4.492 1.00 40.12 H new ATOM 0 HB2 LEU A 39 -10.095 -11.919 3.941 1.00 43.31 H new ATOM 0 HB3 LEU A 39 -9.403 -12.291 5.507 1.00 43.31 H new ATOM 0 HG LEU A 39 -7.864 -11.395 3.053 1.00 72.11 H new ATOM 0 HD11 LEU A 39 -7.476 -9.335 4.359 1.00 74.35 H new ATOM 0 HD12 LEU A 39 -9.208 -9.610 4.055 1.00 74.35 H new ATOM 0 HD13 LEU A 39 -8.517 -9.970 5.655 1.00 74.35 H new ATOM 0 HD21 LEU A 39 -5.927 -11.231 4.568 1.00 75.30 H new ATOM 0 HD22 LEU A 39 -6.900 -11.942 5.878 1.00 75.30 H new ATOM 0 HD23 LEU A 39 -6.521 -12.903 4.429 1.00 75.30 H new ATOM 565 N GLY A 40 -11.112 -14.947 3.589 1.00 60.02 N ATOM 566 CA GLY A 40 -12.284 -15.706 3.933 1.00 51.54 C ATOM 567 C GLY A 40 -13.335 -14.826 4.566 1.00 30.44 C ATOM 568 O GLY A 40 -14.153 -15.290 5.370 1.00 73.43 O ATOM 0 H GLY A 40 -11.032 -14.713 2.599 1.00 60.02 H new ATOM 0 HA2 GLY A 40 -12.691 -16.178 3.039 1.00 51.54 H new ATOM 0 HA3 GLY A 40 -12.013 -16.507 4.621 1.00 51.54 H new ATOM 572 N VAL A 41 -13.313 -13.558 4.205 1.00 74.13 N ATOM 573 CA VAL A 41 -14.247 -12.572 4.759 1.00 0.10 C ATOM 574 C VAL A 41 -15.039 -11.952 3.606 1.00 21.22 C ATOM 575 O VAL A 41 -14.613 -12.062 2.470 1.00 30.21 O ATOM 576 CB VAL A 41 -13.515 -11.445 5.584 1.00 53.34 C ATOM 577 CG1 VAL A 41 -12.635 -12.030 6.680 1.00 71.44 C ATOM 578 CG2 VAL A 41 -12.719 -10.491 4.690 1.00 60.43 C ATOM 0 H VAL A 41 -12.656 -13.175 3.525 1.00 74.13 H new ATOM 0 HA VAL A 41 -14.913 -13.083 5.454 1.00 0.10 H new ATOM 0 HB VAL A 41 -14.298 -10.857 6.063 1.00 53.34 H new ATOM 0 HG11 VAL A 41 -12.148 -11.222 7.226 1.00 71.44 H new ATOM 0 HG12 VAL A 41 -13.248 -12.613 7.367 1.00 71.44 H new ATOM 0 HG13 VAL A 41 -11.878 -12.674 6.233 1.00 71.44 H new ATOM 0 HG21 VAL A 41 -12.234 -9.734 5.306 1.00 60.43 H new ATOM 0 HG22 VAL A 41 -11.962 -11.052 4.142 1.00 60.43 H new ATOM 0 HG23 VAL A 41 -13.393 -10.007 3.984 1.00 60.43 H new ATOM 588 N PRO A 42 -16.209 -11.344 3.854 1.00 20.15 N ATOM 589 CA PRO A 42 -16.981 -10.716 2.791 1.00 12.45 C ATOM 590 C PRO A 42 -16.316 -9.446 2.243 1.00 34.22 C ATOM 591 O PRO A 42 -15.533 -8.770 2.947 1.00 44.03 O ATOM 592 CB PRO A 42 -18.318 -10.380 3.443 1.00 50.34 C ATOM 593 CG PRO A 42 -18.026 -10.306 4.897 1.00 74.41 C ATOM 594 CD PRO A 42 -16.898 -11.263 5.156 1.00 61.40 C ATOM 0 HA PRO A 42 -17.074 -11.379 1.931 1.00 12.45 H new ATOM 0 HB2 PRO A 42 -18.713 -9.435 3.071 1.00 50.34 H new ATOM 0 HB3 PRO A 42 -19.065 -11.144 3.228 1.00 50.34 H new ATOM 0 HG2 PRO A 42 -17.748 -9.292 5.186 1.00 74.41 H new ATOM 0 HG3 PRO A 42 -18.905 -10.575 5.483 1.00 74.41 H new ATOM 0 HD2 PRO A 42 -16.234 -10.898 5.939 1.00 61.40 H new ATOM 0 HD3 PRO A 42 -17.265 -12.238 5.477 1.00 61.40 H new ATOM 602 N VAL A 43 -16.659 -9.111 1.010 1.00 62.31 N ATOM 603 CA VAL A 43 -16.115 -7.946 0.307 1.00 2.02 C ATOM 604 C VAL A 43 -16.397 -6.653 1.078 1.00 54.10 C ATOM 605 O VAL A 43 -15.552 -5.765 1.149 1.00 74.03 O ATOM 606 CB VAL A 43 -16.704 -7.830 -1.122 1.00 20.30 C ATOM 607 CG1 VAL A 43 -16.128 -6.632 -1.860 1.00 3.03 C ATOM 608 CG2 VAL A 43 -16.462 -9.104 -1.916 1.00 12.03 C ATOM 0 H VAL A 43 -17.331 -9.643 0.457 1.00 62.31 H new ATOM 0 HA VAL A 43 -15.037 -8.089 0.236 1.00 2.02 H new ATOM 0 HB VAL A 43 -17.779 -7.684 -1.022 1.00 20.30 H new ATOM 0 HG11 VAL A 43 -16.560 -6.578 -2.859 1.00 3.03 H new ATOM 0 HG12 VAL A 43 -16.364 -5.720 -1.312 1.00 3.03 H new ATOM 0 HG13 VAL A 43 -15.046 -6.739 -1.938 1.00 3.03 H new ATOM 0 HG21 VAL A 43 -16.885 -8.996 -2.915 1.00 12.03 H new ATOM 0 HG22 VAL A 43 -15.390 -9.286 -1.994 1.00 12.03 H new ATOM 0 HG23 VAL A 43 -16.937 -9.944 -1.410 1.00 12.03 H new ATOM 618 N SER A 44 -17.566 -6.581 1.683 1.00 22.33 N ATOM 619 CA SER A 44 -17.955 -5.424 2.453 1.00 20.24 C ATOM 620 C SER A 44 -17.000 -5.224 3.648 1.00 2.20 C ATOM 621 O SER A 44 -16.637 -4.097 3.960 1.00 71.40 O ATOM 622 CB SER A 44 -19.424 -5.550 2.901 1.00 60.52 C ATOM 623 OG SER A 44 -19.889 -4.384 3.569 1.00 4.24 O ATOM 0 H SER A 44 -18.268 -7.321 1.653 1.00 22.33 H new ATOM 0 HA SER A 44 -17.879 -4.536 1.826 1.00 20.24 H new ATOM 0 HB2 SER A 44 -20.051 -5.741 2.030 1.00 60.52 H new ATOM 0 HB3 SER A 44 -19.527 -6.410 3.563 1.00 60.52 H new ATOM 0 HG SER A 44 -20.824 -4.509 3.833 1.00 4.24 H new ATOM 629 N LYS A 45 -16.521 -6.327 4.262 1.00 71.25 N ATOM 630 CA LYS A 45 -15.596 -6.195 5.383 1.00 2.00 C ATOM 631 C LYS A 45 -14.323 -5.594 4.869 1.00 32.02 C ATOM 632 O LYS A 45 -13.777 -4.698 5.475 1.00 11.25 O ATOM 633 CB LYS A 45 -15.278 -7.527 6.069 1.00 5.31 C ATOM 634 CG LYS A 45 -14.631 -7.355 7.435 1.00 2.34 C ATOM 635 CD LYS A 45 -14.348 -8.691 8.088 1.00 23.20 C ATOM 636 CE LYS A 45 -13.755 -8.517 9.474 1.00 23.23 C ATOM 637 NZ LYS A 45 -14.707 -7.891 10.427 1.00 41.44 N ATOM 0 H LYS A 45 -16.756 -7.285 4.004 1.00 71.25 H new ATOM 0 HA LYS A 45 -16.074 -5.564 6.132 1.00 2.00 H new ATOM 0 HB2 LYS A 45 -16.198 -8.101 6.179 1.00 5.31 H new ATOM 0 HB3 LYS A 45 -14.614 -8.109 5.430 1.00 5.31 H new ATOM 0 HG2 LYS A 45 -13.701 -6.796 7.330 1.00 2.34 H new ATOM 0 HG3 LYS A 45 -15.286 -6.767 8.077 1.00 2.34 H new ATOM 0 HD2 LYS A 45 -15.271 -9.267 8.155 1.00 23.20 H new ATOM 0 HD3 LYS A 45 -13.660 -9.263 7.466 1.00 23.20 H new ATOM 0 HE2 LYS A 45 -13.448 -9.490 9.859 1.00 23.23 H new ATOM 0 HE3 LYS A 45 -12.857 -7.903 9.407 1.00 23.23 H new ATOM 0 HZ1 LYS A 45 -14.345 -7.993 11.397 1.00 41.44 H new ATOM 0 HZ2 LYS A 45 -14.811 -6.881 10.201 1.00 41.44 H new ATOM 0 HZ3 LYS A 45 -15.632 -8.360 10.352 1.00 41.44 H new ATOM 651 N VAL A 46 -13.914 -6.048 3.689 1.00 12.35 N ATOM 652 CA VAL A 46 -12.696 -5.579 3.036 1.00 75.52 C ATOM 653 C VAL A 46 -12.784 -4.074 2.763 1.00 15.14 C ATOM 654 O VAL A 46 -11.816 -3.334 2.996 1.00 23.34 O ATOM 655 CB VAL A 46 -12.447 -6.329 1.699 1.00 30.51 C ATOM 656 CG1 VAL A 46 -11.198 -5.804 1.013 1.00 13.45 C ATOM 657 CG2 VAL A 46 -12.338 -7.829 1.931 1.00 52.03 C ATOM 0 H VAL A 46 -14.420 -6.755 3.156 1.00 12.35 H new ATOM 0 HA VAL A 46 -11.863 -5.782 3.709 1.00 75.52 H new ATOM 0 HB VAL A 46 -13.300 -6.146 1.046 1.00 30.51 H new ATOM 0 HG11 VAL A 46 -11.042 -6.343 0.079 1.00 13.45 H new ATOM 0 HG12 VAL A 46 -11.318 -4.741 0.803 1.00 13.45 H new ATOM 0 HG13 VAL A 46 -10.336 -5.950 1.664 1.00 13.45 H new ATOM 0 HG21 VAL A 46 -12.164 -8.333 0.980 1.00 52.03 H new ATOM 0 HG22 VAL A 46 -11.508 -8.033 2.607 1.00 52.03 H new ATOM 0 HG23 VAL A 46 -13.264 -8.197 2.372 1.00 52.03 H new ATOM 667 N ALA A 47 -13.953 -3.633 2.326 1.00 11.34 N ATOM 668 CA ALA A 47 -14.205 -2.230 2.055 1.00 12.31 C ATOM 669 C ALA A 47 -13.978 -1.398 3.318 1.00 11.13 C ATOM 670 O ALA A 47 -13.360 -0.327 3.274 1.00 12.41 O ATOM 671 CB ALA A 47 -15.624 -2.039 1.531 1.00 10.03 C ATOM 0 H ALA A 47 -14.754 -4.240 2.150 1.00 11.34 H new ATOM 0 HA ALA A 47 -13.508 -1.889 1.289 1.00 12.31 H new ATOM 0 HB1 ALA A 47 -15.799 -0.982 1.332 1.00 10.03 H new ATOM 0 HB2 ALA A 47 -15.751 -2.608 0.610 1.00 10.03 H new ATOM 0 HB3 ALA A 47 -16.337 -2.391 2.276 1.00 10.03 H new ATOM 677 N GLN A 48 -14.442 -1.919 4.440 1.00 31.23 N ATOM 678 CA GLN A 48 -14.249 -1.280 5.719 1.00 33.50 C ATOM 679 C GLN A 48 -12.792 -1.300 6.153 1.00 13.20 C ATOM 680 O GLN A 48 -12.282 -0.290 6.618 1.00 13.25 O ATOM 681 CB GLN A 48 -15.155 -1.883 6.795 1.00 32.23 C ATOM 682 CG GLN A 48 -16.545 -1.260 6.877 1.00 41.04 C ATOM 683 CD GLN A 48 -17.381 -1.365 5.621 1.00 73.13 C ATOM 684 OE1 GLN A 48 -18.139 -2.306 5.451 1.00 21.12 O ATOM 685 NE2 GLN A 48 -17.275 -0.394 4.759 1.00 11.41 N ATOM 0 H GLN A 48 -14.962 -2.796 4.485 1.00 31.23 H new ATOM 0 HA GLN A 48 -14.535 -0.236 5.594 1.00 33.50 H new ATOM 0 HB2 GLN A 48 -15.261 -2.951 6.606 1.00 32.23 H new ATOM 0 HB3 GLN A 48 -14.666 -1.778 7.764 1.00 32.23 H new ATOM 0 HG2 GLN A 48 -17.088 -1.733 7.695 1.00 41.04 H new ATOM 0 HG3 GLN A 48 -16.437 -0.206 7.134 1.00 41.04 H new ATOM 0 HE21 GLN A 48 -16.630 0.376 4.935 1.00 11.41 H new ATOM 0 HE22 GLN A 48 -17.837 -0.404 3.908 1.00 11.41 H new ATOM 694 N GLN A 49 -12.111 -2.431 5.941 1.00 31.15 N ATOM 695 CA GLN A 49 -10.694 -2.584 6.329 1.00 62.32 C ATOM 696 C GLN A 49 -9.867 -1.500 5.624 1.00 30.22 C ATOM 697 O GLN A 49 -9.073 -0.779 6.249 1.00 52.00 O ATOM 698 CB GLN A 49 -10.147 -3.970 5.897 1.00 72.03 C ATOM 699 CG GLN A 49 -11.004 -5.170 6.282 1.00 30.41 C ATOM 700 CD GLN A 49 -11.150 -5.399 7.766 1.00 74.02 C ATOM 701 OE1 GLN A 49 -12.026 -4.834 8.415 1.00 34.33 O ATOM 702 NE2 GLN A 49 -10.381 -6.300 8.290 1.00 10.52 N ATOM 0 H GLN A 49 -12.514 -3.259 5.502 1.00 31.15 H new ATOM 0 HA GLN A 49 -10.620 -2.493 7.413 1.00 62.32 H new ATOM 0 HB2 GLN A 49 -10.022 -3.969 4.814 1.00 72.03 H new ATOM 0 HB3 GLN A 49 -9.156 -4.100 6.332 1.00 72.03 H new ATOM 0 HG2 GLN A 49 -11.997 -5.042 5.850 1.00 30.41 H new ATOM 0 HG3 GLN A 49 -10.573 -6.064 5.832 1.00 30.41 H new ATOM 0 HE21 GLN A 49 -9.663 -6.750 7.723 1.00 10.52 H new ATOM 0 HE22 GLN A 49 -10.494 -6.559 9.270 1.00 10.52 H new ATOM 711 N LEU A 50 -10.130 -1.345 4.339 1.00 34.33 N ATOM 712 CA LEU A 50 -9.435 -0.385 3.495 1.00 14.23 C ATOM 713 C LEU A 50 -9.658 1.033 3.971 1.00 33.53 C ATOM 714 O LEU A 50 -8.713 1.805 4.095 1.00 42.11 O ATOM 715 CB LEU A 50 -9.901 -0.541 2.045 1.00 43.42 C ATOM 716 CG LEU A 50 -9.444 -1.819 1.347 1.00 42.34 C ATOM 717 CD1 LEU A 50 -10.198 -2.033 0.050 1.00 54.55 C ATOM 718 CD2 LEU A 50 -7.968 -1.728 1.059 1.00 11.35 C ATOM 0 H LEU A 50 -10.839 -1.887 3.845 1.00 34.33 H new ATOM 0 HA LEU A 50 -8.366 -0.587 3.555 1.00 14.23 H new ATOM 0 HB2 LEU A 50 -10.990 -0.505 2.025 1.00 43.42 H new ATOM 0 HB3 LEU A 50 -9.543 0.314 1.472 1.00 43.42 H new ATOM 0 HG LEU A 50 -9.648 -2.664 2.005 1.00 42.34 H new ATOM 0 HD11 LEU A 50 -9.851 -2.951 -0.425 1.00 54.55 H new ATOM 0 HD12 LEU A 50 -11.265 -2.113 0.258 1.00 54.55 H new ATOM 0 HD13 LEU A 50 -10.021 -1.190 -0.617 1.00 54.55 H new ATOM 0 HD21 LEU A 50 -7.638 -2.639 0.560 1.00 11.35 H new ATOM 0 HD22 LEU A 50 -7.775 -0.871 0.414 1.00 11.35 H new ATOM 0 HD23 LEU A 50 -7.422 -1.608 1.994 1.00 11.35 H new ATOM 730 N ARG A 51 -10.887 1.346 4.302 1.00 54.24 N ATOM 731 CA ARG A 51 -11.238 2.680 4.753 1.00 54.20 C ATOM 732 C ARG A 51 -10.694 2.993 6.149 1.00 52.23 C ATOM 733 O ARG A 51 -10.545 4.165 6.516 1.00 75.24 O ATOM 734 CB ARG A 51 -12.740 2.917 4.665 1.00 12.53 C ATOM 735 CG ARG A 51 -13.260 2.929 3.238 1.00 62.32 C ATOM 736 CD ARG A 51 -14.756 3.085 3.208 1.00 21.15 C ATOM 737 NE ARG A 51 -15.294 3.040 1.849 1.00 53.55 N ATOM 738 CZ ARG A 51 -16.451 2.467 1.515 1.00 34.02 C ATOM 739 NH1 ARG A 51 -17.283 2.037 2.466 1.00 32.14 N ATOM 740 NH2 ARG A 51 -16.796 2.375 0.238 1.00 72.31 N ATOM 0 H ARG A 51 -11.670 0.693 4.269 1.00 54.24 H new ATOM 0 HA ARG A 51 -10.752 3.379 4.073 1.00 54.20 H new ATOM 0 HB2 ARG A 51 -13.258 2.140 5.227 1.00 12.53 H new ATOM 0 HB3 ARG A 51 -12.980 3.868 5.141 1.00 12.53 H new ATOM 0 HG2 ARG A 51 -12.795 3.745 2.685 1.00 62.32 H new ATOM 0 HG3 ARG A 51 -12.978 2.003 2.737 1.00 62.32 H new ATOM 0 HD2 ARG A 51 -15.213 2.294 3.803 1.00 21.15 H new ATOM 0 HD3 ARG A 51 -15.029 4.032 3.673 1.00 21.15 H new ATOM 0 HE ARG A 51 -14.747 3.476 1.106 1.00 53.55 H new ATOM 0 HH11 ARG A 51 -17.034 2.147 3.449 1.00 32.14 H new ATOM 0 HH12 ARG A 51 -18.168 1.599 2.210 1.00 32.14 H new ATOM 0 HH21 ARG A 51 -16.177 2.742 -0.485 1.00 72.31 H new ATOM 0 HH22 ARG A 51 -17.680 1.937 -0.021 1.00 72.31 H new ATOM 754 N GLU A 52 -10.392 1.963 6.931 1.00 3.23 N ATOM 755 CA GLU A 52 -9.853 2.178 8.268 1.00 42.44 C ATOM 756 C GLU A 52 -8.348 2.300 8.229 1.00 44.32 C ATOM 757 O GLU A 52 -7.716 2.613 9.246 1.00 3.51 O ATOM 758 CB GLU A 52 -10.246 1.064 9.226 1.00 40.40 C ATOM 759 CG GLU A 52 -11.732 0.906 9.413 1.00 3.23 C ATOM 760 CD GLU A 52 -12.065 -0.117 10.448 1.00 62.52 C ATOM 761 OE1 GLU A 52 -11.725 -1.296 10.281 1.00 31.41 O ATOM 762 OE2 GLU A 52 -12.663 0.250 11.488 1.00 2.34 O ATOM 0 H GLU A 52 -10.509 0.985 6.668 1.00 3.23 H new ATOM 0 HA GLU A 52 -10.283 3.111 8.634 1.00 42.44 H new ATOM 0 HB2 GLU A 52 -9.835 0.123 8.860 1.00 40.40 H new ATOM 0 HB3 GLU A 52 -9.787 1.256 10.196 1.00 40.40 H new ATOM 0 HG2 GLU A 52 -12.164 1.865 9.700 1.00 3.23 H new ATOM 0 HG3 GLU A 52 -12.188 0.622 8.464 1.00 3.23 H new ATOM 769 N GLY A 53 -7.775 2.063 7.066 1.00 4.33 N ATOM 770 CA GLY A 53 -6.345 2.119 6.930 1.00 22.15 C ATOM 771 C GLY A 53 -5.700 0.862 7.456 1.00 51.44 C ATOM 772 O GLY A 53 -4.673 0.912 8.139 1.00 44.13 O ATOM 0 H GLY A 53 -8.279 1.832 6.210 1.00 4.33 H new ATOM 0 HA2 GLY A 53 -6.081 2.255 5.881 1.00 22.15 H new ATOM 0 HA3 GLY A 53 -5.959 2.983 7.470 1.00 22.15 H new ATOM 776 N HIS A 54 -6.342 -0.262 7.192 1.00 23.20 N ATOM 777 CA HIS A 54 -5.814 -1.561 7.582 1.00 12.12 C ATOM 778 C HIS A 54 -4.870 -2.038 6.471 1.00 74.32 C ATOM 779 O HIS A 54 -3.901 -2.739 6.714 1.00 71.44 O ATOM 780 CB HIS A 54 -6.987 -2.545 7.782 1.00 31.35 C ATOM 781 CG HIS A 54 -6.653 -3.861 8.437 1.00 71.11 C ATOM 782 ND1 HIS A 54 -7.184 -4.263 9.641 1.00 74.14 N ATOM 783 CD2 HIS A 54 -5.886 -4.890 8.009 1.00 24.22 C ATOM 784 CE1 HIS A 54 -6.737 -5.489 9.910 1.00 24.25 C ATOM 785 NE2 HIS A 54 -5.942 -5.924 8.944 1.00 71.14 N ATOM 0 H HIS A 54 -7.237 -0.303 6.705 1.00 23.20 H new ATOM 0 HA HIS A 54 -5.263 -1.500 8.520 1.00 12.12 H new ATOM 0 HB2 HIS A 54 -7.751 -2.049 8.381 1.00 31.35 H new ATOM 0 HB3 HIS A 54 -7.430 -2.751 6.808 1.00 31.35 H new ATOM 0 HD2 HIS A 54 -5.320 -4.908 7.089 1.00 24.22 H new ATOM 0 HE1 HIS A 54 -6.989 -6.052 10.796 1.00 24.25 H new ATOM 0 HE2 HIS A 54 -5.469 -6.827 8.894 1.00 71.14 H new ATOM 793 N LEU A 55 -5.180 -1.609 5.261 1.00 35.12 N ATOM 794 CA LEU A 55 -4.413 -1.884 4.065 1.00 61.43 C ATOM 795 C LEU A 55 -4.825 -0.843 3.033 1.00 53.30 C ATOM 796 O LEU A 55 -5.823 -0.144 3.253 1.00 72.43 O ATOM 797 CB LEU A 55 -4.599 -3.352 3.536 1.00 42.10 C ATOM 798 CG LEU A 55 -5.993 -3.815 3.038 1.00 75.21 C ATOM 799 CD1 LEU A 55 -5.897 -5.216 2.471 1.00 33.15 C ATOM 800 CD2 LEU A 55 -7.039 -3.798 4.140 1.00 23.25 C ATOM 0 H LEU A 55 -6.005 -1.038 5.080 1.00 35.12 H new ATOM 0 HA LEU A 55 -3.347 -1.814 4.283 1.00 61.43 H new ATOM 0 HB2 LEU A 55 -3.895 -3.495 2.716 1.00 42.10 H new ATOM 0 HB3 LEU A 55 -4.297 -4.028 4.336 1.00 42.10 H new ATOM 0 HG LEU A 55 -6.307 -3.110 2.268 1.00 75.21 H new ATOM 0 HD11 LEU A 55 -6.879 -5.536 2.123 1.00 33.15 H new ATOM 0 HD12 LEU A 55 -5.196 -5.223 1.636 1.00 33.15 H new ATOM 0 HD13 LEU A 55 -5.547 -5.899 3.245 1.00 33.15 H new ATOM 0 HD21 LEU A 55 -7.996 -4.131 3.738 1.00 23.25 H new ATOM 0 HD22 LEU A 55 -6.731 -4.466 4.944 1.00 23.25 H new ATOM 0 HD23 LEU A 55 -7.141 -2.785 4.529 1.00 23.25 H new ATOM 812 N VAL A 56 -4.098 -0.713 1.934 1.00 1.11 N ATOM 813 CA VAL A 56 -4.410 0.335 0.955 1.00 51.43 C ATOM 814 C VAL A 56 -4.539 -0.218 -0.450 1.00 61.40 C ATOM 815 O VAL A 56 -4.062 -1.319 -0.742 1.00 44.11 O ATOM 816 CB VAL A 56 -3.378 1.507 0.963 1.00 33.32 C ATOM 817 CG1 VAL A 56 -3.451 2.300 2.259 1.00 54.23 C ATOM 818 CG2 VAL A 56 -1.963 0.993 0.736 1.00 54.44 C ATOM 0 H VAL A 56 -3.302 -1.304 1.694 1.00 1.11 H new ATOM 0 HA VAL A 56 -5.374 0.737 1.267 1.00 51.43 H new ATOM 0 HB VAL A 56 -3.638 2.174 0.141 1.00 33.32 H new ATOM 0 HG11 VAL A 56 -2.720 3.108 2.233 1.00 54.23 H new ATOM 0 HG12 VAL A 56 -4.451 2.718 2.374 1.00 54.23 H new ATOM 0 HG13 VAL A 56 -3.234 1.642 3.101 1.00 54.23 H new ATOM 0 HG21 VAL A 56 -1.266 1.831 0.746 1.00 54.44 H new ATOM 0 HG22 VAL A 56 -1.699 0.291 1.527 1.00 54.44 H new ATOM 0 HG23 VAL A 56 -1.910 0.488 -0.229 1.00 54.44 H new ATOM 828 N ALA A 57 -5.177 0.556 -1.304 1.00 41.32 N ATOM 829 CA ALA A 57 -5.459 0.169 -2.666 1.00 40.24 C ATOM 830 C ALA A 57 -5.008 1.256 -3.625 1.00 14.13 C ATOM 831 O ALA A 57 -5.050 2.445 -3.282 1.00 34.24 O ATOM 832 CB ALA A 57 -6.955 -0.034 -2.827 1.00 3.24 C ATOM 0 H ALA A 57 -5.519 1.487 -1.064 1.00 41.32 H new ATOM 0 HA ALA A 57 -4.924 -0.754 -2.889 1.00 40.24 H new ATOM 0 HB1 ALA A 57 -7.174 -0.326 -3.854 1.00 3.24 H new ATOM 0 HB2 ALA A 57 -7.291 -0.817 -2.147 1.00 3.24 H new ATOM 0 HB3 ALA A 57 -7.475 0.895 -2.596 1.00 3.24 H new ATOM 838 N VAL A 58 -4.592 0.856 -4.803 1.00 43.45 N ATOM 839 CA VAL A 58 -4.190 1.776 -5.854 1.00 21.52 C ATOM 840 C VAL A 58 -4.876 1.406 -7.149 1.00 71.35 C ATOM 841 O VAL A 58 -5.374 0.285 -7.297 1.00 14.22 O ATOM 842 CB VAL A 58 -2.657 1.838 -6.068 1.00 31.22 C ATOM 843 CG1 VAL A 58 -1.983 2.482 -4.869 1.00 40.01 C ATOM 844 CG2 VAL A 58 -2.084 0.447 -6.336 1.00 54.13 C ATOM 0 H VAL A 58 -4.520 -0.127 -5.067 1.00 43.45 H new ATOM 0 HA VAL A 58 -4.498 2.771 -5.531 1.00 21.52 H new ATOM 0 HB VAL A 58 -2.458 2.452 -6.946 1.00 31.22 H new ATOM 0 HG11 VAL A 58 -0.906 2.519 -5.033 1.00 40.01 H new ATOM 0 HG12 VAL A 58 -2.365 3.494 -4.737 1.00 40.01 H new ATOM 0 HG13 VAL A 58 -2.194 1.896 -3.975 1.00 40.01 H new ATOM 0 HG21 VAL A 58 -1.006 0.519 -6.483 1.00 54.13 H new ATOM 0 HG22 VAL A 58 -2.292 -0.202 -5.485 1.00 54.13 H new ATOM 0 HG23 VAL A 58 -2.545 0.030 -7.232 1.00 54.13 H new ATOM 854 N ARG A 59 -4.900 2.318 -8.079 1.00 23.20 N ATOM 855 CA ARG A 59 -5.597 2.108 -9.317 1.00 1.50 C ATOM 856 C ARG A 59 -4.604 1.968 -10.448 1.00 20.20 C ATOM 857 O ARG A 59 -3.845 2.895 -10.728 1.00 13.25 O ATOM 858 CB ARG A 59 -6.509 3.302 -9.593 1.00 24.20 C ATOM 859 CG ARG A 59 -7.364 3.179 -10.848 1.00 13.53 C ATOM 860 CD ARG A 59 -8.036 4.506 -11.200 1.00 3.12 C ATOM 861 NE ARG A 59 -8.987 4.966 -10.175 1.00 34.54 N ATOM 862 CZ ARG A 59 -8.793 6.006 -9.339 1.00 11.03 C ATOM 863 NH1 ARG A 59 -7.626 6.638 -9.311 1.00 11.31 N ATOM 864 NH2 ARG A 59 -9.769 6.392 -8.528 1.00 21.32 N ATOM 0 H ARG A 59 -4.439 3.225 -8.002 1.00 23.20 H new ATOM 0 HA ARG A 59 -6.192 1.197 -9.244 1.00 1.50 H new ATOM 0 HB2 ARG A 59 -7.167 3.444 -8.735 1.00 24.20 H new ATOM 0 HB3 ARG A 59 -5.895 4.199 -9.676 1.00 24.20 H new ATOM 0 HG2 ARG A 59 -6.743 2.852 -11.682 1.00 13.53 H new ATOM 0 HG3 ARG A 59 -8.125 2.413 -10.698 1.00 13.53 H new ATOM 0 HD2 ARG A 59 -7.269 5.267 -11.342 1.00 3.12 H new ATOM 0 HD3 ARG A 59 -8.560 4.400 -12.150 1.00 3.12 H new ATOM 0 HE ARG A 59 -9.866 4.456 -10.090 1.00 34.54 H new ATOM 0 HH11 ARG A 59 -6.869 6.338 -9.925 1.00 11.31 H new ATOM 0 HH12 ARG A 59 -7.487 7.424 -8.676 1.00 11.31 H new ATOM 0 HH21 ARG A 59 -10.664 5.902 -8.538 1.00 21.32 H new ATOM 0 HH22 ARG A 59 -9.625 7.178 -7.895 1.00 21.32 H new ATOM 878 N ARG A 60 -4.603 0.825 -11.085 1.00 11.43 N ATOM 879 CA ARG A 60 -3.767 0.617 -12.236 1.00 24.52 C ATOM 880 C ARG A 60 -4.607 0.178 -13.407 1.00 52.52 C ATOM 881 O ARG A 60 -5.398 -0.771 -13.295 1.00 11.13 O ATOM 882 CB ARG A 60 -2.591 -0.340 -11.984 1.00 2.21 C ATOM 883 CG ARG A 60 -2.919 -1.771 -11.598 1.00 41.12 C ATOM 884 CD ARG A 60 -1.617 -2.536 -11.440 1.00 2.31 C ATOM 885 NE ARG A 60 -1.777 -3.952 -11.081 1.00 10.12 N ATOM 886 CZ ARG A 60 -0.745 -4.770 -10.813 1.00 2.33 C ATOM 887 NH1 ARG A 60 0.500 -4.306 -10.875 1.00 54.40 N ATOM 888 NH2 ARG A 60 -0.957 -6.030 -10.477 1.00 42.55 N ATOM 0 H ARG A 60 -5.175 0.022 -10.823 1.00 11.43 H new ATOM 0 HA ARG A 60 -3.302 1.575 -12.469 1.00 24.52 H new ATOM 0 HB2 ARG A 60 -1.981 -0.367 -12.887 1.00 2.21 H new ATOM 0 HB3 ARG A 60 -1.973 0.088 -11.194 1.00 2.21 H new ATOM 0 HG2 ARG A 60 -3.486 -1.792 -10.668 1.00 41.12 H new ATOM 0 HG3 ARG A 60 -3.542 -2.236 -12.362 1.00 41.12 H new ATOM 0 HD2 ARG A 60 -1.059 -2.473 -12.374 1.00 2.31 H new ATOM 0 HD3 ARG A 60 -1.014 -2.047 -10.675 1.00 2.31 H new ATOM 0 HE ARG A 60 -2.721 -4.334 -11.033 1.00 10.12 H new ATOM 0 HH11 ARG A 60 0.669 -3.332 -11.125 1.00 54.40 H new ATOM 0 HH12 ARG A 60 1.285 -4.924 -10.672 1.00 54.40 H new ATOM 0 HH21 ARG A 60 -1.910 -6.389 -10.419 1.00 42.55 H new ATOM 0 HH22 ARG A 60 -0.168 -6.644 -10.275 1.00 42.55 H new ATOM 902 N ALA A 61 -4.504 0.935 -14.499 1.00 15.33 N ATOM 903 CA ALA A 61 -5.244 0.689 -15.741 1.00 34.44 C ATOM 904 C ALA A 61 -6.751 0.770 -15.496 1.00 4.12 C ATOM 905 O ALA A 61 -7.556 0.159 -16.213 1.00 64.03 O ATOM 906 CB ALA A 61 -4.853 -0.657 -16.354 1.00 42.43 C ATOM 0 H ALA A 61 -3.894 1.751 -14.548 1.00 15.33 H new ATOM 0 HA ALA A 61 -4.978 1.467 -16.457 1.00 34.44 H new ATOM 0 HB1 ALA A 61 -5.416 -0.815 -17.274 1.00 42.43 H new ATOM 0 HB2 ALA A 61 -3.786 -0.659 -16.577 1.00 42.43 H new ATOM 0 HB3 ALA A 61 -5.078 -1.457 -15.649 1.00 42.43 H new ATOM 912 N GLY A 62 -7.126 1.541 -14.487 1.00 54.44 N ATOM 913 CA GLY A 62 -8.526 1.707 -14.145 1.00 33.10 C ATOM 914 C GLY A 62 -8.997 0.734 -13.077 1.00 65.11 C ATOM 915 O GLY A 62 -10.045 0.939 -12.458 1.00 34.20 O ATOM 0 H GLY A 62 -6.480 2.060 -13.893 1.00 54.44 H new ATOM 0 HA2 GLY A 62 -8.691 2.727 -13.797 1.00 33.10 H new ATOM 0 HA3 GLY A 62 -9.131 1.574 -15.042 1.00 33.10 H new ATOM 919 N GLY A 63 -8.220 -0.300 -12.837 1.00 64.31 N ATOM 920 CA GLY A 63 -8.597 -1.291 -11.867 1.00 32.51 C ATOM 921 C GLY A 63 -8.016 -0.977 -10.526 1.00 42.45 C ATOM 922 O GLY A 63 -6.851 -0.592 -10.430 1.00 24.32 O ATOM 0 H GLY A 63 -7.328 -0.471 -13.301 1.00 64.31 H new ATOM 0 HA2 GLY A 63 -9.684 -1.339 -11.794 1.00 32.51 H new ATOM 0 HA3 GLY A 63 -8.256 -2.273 -12.194 1.00 32.51 H new ATOM 926 N VAL A 64 -8.794 -1.144 -9.495 1.00 22.42 N ATOM 927 CA VAL A 64 -8.321 -0.877 -8.166 1.00 21.04 C ATOM 928 C VAL A 64 -7.866 -2.181 -7.526 1.00 22.42 C ATOM 929 O VAL A 64 -8.629 -3.155 -7.423 1.00 3.43 O ATOM 930 CB VAL A 64 -9.384 -0.118 -7.298 1.00 3.13 C ATOM 931 CG1 VAL A 64 -10.712 -0.853 -7.241 1.00 63.30 C ATOM 932 CG2 VAL A 64 -8.864 0.143 -5.898 1.00 75.24 C ATOM 0 H VAL A 64 -9.761 -1.464 -9.549 1.00 22.42 H new ATOM 0 HA VAL A 64 -7.466 -0.203 -8.224 1.00 21.04 H new ATOM 0 HB VAL A 64 -9.560 0.839 -7.788 1.00 3.13 H new ATOM 0 HG11 VAL A 64 -11.415 -0.288 -6.629 1.00 63.30 H new ATOM 0 HG12 VAL A 64 -11.113 -0.959 -8.249 1.00 63.30 H new ATOM 0 HG13 VAL A 64 -10.563 -1.841 -6.804 1.00 63.30 H new ATOM 0 HG21 VAL A 64 -9.623 0.670 -5.320 1.00 75.24 H new ATOM 0 HG22 VAL A 64 -8.633 -0.805 -5.413 1.00 75.24 H new ATOM 0 HG23 VAL A 64 -7.962 0.752 -5.953 1.00 75.24 H new ATOM 942 N VAL A 65 -6.614 -2.207 -7.152 1.00 41.53 N ATOM 943 CA VAL A 65 -5.984 -3.395 -6.643 1.00 42.52 C ATOM 944 C VAL A 65 -5.207 -3.129 -5.359 1.00 53.50 C ATOM 945 O VAL A 65 -4.832 -1.989 -5.050 1.00 14.20 O ATOM 946 CB VAL A 65 -5.039 -4.045 -7.701 1.00 60.44 C ATOM 947 CG1 VAL A 65 -5.834 -4.664 -8.847 1.00 40.34 C ATOM 948 CG2 VAL A 65 -4.063 -3.014 -8.251 1.00 20.34 C ATOM 0 H VAL A 65 -5.997 -1.396 -7.193 1.00 41.53 H new ATOM 0 HA VAL A 65 -6.791 -4.092 -6.417 1.00 42.52 H new ATOM 0 HB VAL A 65 -4.480 -4.837 -7.201 1.00 60.44 H new ATOM 0 HG11 VAL A 65 -5.148 -5.109 -9.568 1.00 40.34 H new ATOM 0 HG12 VAL A 65 -6.498 -5.435 -8.455 1.00 40.34 H new ATOM 0 HG13 VAL A 65 -6.425 -3.891 -9.338 1.00 40.34 H new ATOM 0 HG21 VAL A 65 -3.412 -3.486 -8.987 1.00 20.34 H new ATOM 0 HG22 VAL A 65 -4.618 -2.203 -8.723 1.00 20.34 H new ATOM 0 HG23 VAL A 65 -3.459 -2.614 -7.437 1.00 20.34 H new ATOM 958 N ILE A 66 -4.986 -4.190 -4.646 1.00 33.14 N ATOM 959 CA ILE A 66 -4.289 -4.232 -3.390 1.00 13.32 C ATOM 960 C ILE A 66 -2.973 -4.963 -3.640 1.00 34.24 C ATOM 961 O ILE A 66 -2.981 -6.025 -4.273 1.00 41.22 O ATOM 962 CB ILE A 66 -5.078 -5.109 -2.368 1.00 2.45 C ATOM 963 CG1 ILE A 66 -6.566 -4.731 -2.296 1.00 31.21 C ATOM 964 CG2 ILE A 66 -4.443 -5.054 -0.984 1.00 34.13 C ATOM 965 CD1 ILE A 66 -6.830 -3.320 -1.881 1.00 74.42 C ATOM 0 H ILE A 66 -5.307 -5.112 -4.942 1.00 33.14 H new ATOM 0 HA ILE A 66 -4.161 -3.220 -3.007 1.00 13.32 H new ATOM 0 HB ILE A 66 -5.022 -6.135 -2.733 1.00 2.45 H new ATOM 0 HG12 ILE A 66 -7.018 -4.899 -3.274 1.00 31.21 H new ATOM 0 HG13 ILE A 66 -7.064 -5.401 -1.595 1.00 31.21 H new ATOM 0 HG21 ILE A 66 -5.016 -5.675 -0.296 1.00 34.13 H new ATOM 0 HG22 ILE A 66 -3.419 -5.423 -1.039 1.00 34.13 H new ATOM 0 HG23 ILE A 66 -4.439 -4.024 -0.626 1.00 34.13 H new ATOM 0 HD11 ILE A 66 -7.905 -3.143 -1.858 1.00 74.42 H new ATOM 0 HD12 ILE A 66 -6.412 -3.148 -0.889 1.00 74.42 H new ATOM 0 HD13 ILE A 66 -6.365 -2.638 -2.593 1.00 74.42 H new ATOM 977 N PRO A 67 -1.841 -4.438 -3.187 1.00 64.32 N ATOM 978 CA PRO A 67 -0.557 -5.113 -3.348 1.00 74.50 C ATOM 979 C PRO A 67 -0.492 -6.412 -2.529 1.00 70.12 C ATOM 980 O PRO A 67 -0.602 -6.389 -1.307 1.00 51.45 O ATOM 981 CB PRO A 67 0.461 -4.104 -2.802 1.00 31.12 C ATOM 982 CG PRO A 67 -0.269 -2.809 -2.721 1.00 13.31 C ATOM 983 CD PRO A 67 -1.705 -3.152 -2.493 1.00 74.13 C ATOM 0 HA PRO A 67 -0.377 -5.398 -4.384 1.00 74.50 H new ATOM 0 HB2 PRO A 67 0.830 -4.409 -1.823 1.00 31.12 H new ATOM 0 HB3 PRO A 67 1.328 -4.026 -3.459 1.00 31.12 H new ATOM 0 HG2 PRO A 67 0.118 -2.194 -1.908 1.00 13.31 H new ATOM 0 HG3 PRO A 67 -0.147 -2.236 -3.640 1.00 13.31 H new ATOM 0 HD2 PRO A 67 -1.938 -3.238 -1.432 1.00 74.13 H new ATOM 0 HD3 PRO A 67 -2.373 -2.396 -2.906 1.00 74.13 H new ATOM 991 N GLN A 68 -0.304 -7.541 -3.213 1.00 3.13 N ATOM 992 CA GLN A 68 -0.206 -8.853 -2.569 1.00 72.34 C ATOM 993 C GLN A 68 1.003 -8.933 -1.640 1.00 41.12 C ATOM 994 O GLN A 68 1.013 -9.668 -0.667 1.00 64.24 O ATOM 995 CB GLN A 68 -0.164 -9.919 -3.649 1.00 74.33 C ATOM 996 CG GLN A 68 0.120 -11.334 -3.185 1.00 10.55 C ATOM 997 CD GLN A 68 -0.105 -12.340 -4.288 1.00 24.21 C ATOM 998 OE1 GLN A 68 -1.076 -12.075 -5.138 1.00 35.52 O flip ATOM 999 NE2 GLN A 68 0.568 -13.361 -4.359 1.00 52.22 N flip ATOM 0 H GLN A 68 -0.215 -7.573 -4.229 1.00 3.13 H new ATOM 0 HA GLN A 68 -1.080 -9.017 -1.939 1.00 72.34 H new ATOM 0 HB2 GLN A 68 -1.121 -9.916 -4.171 1.00 74.33 H new ATOM 0 HB3 GLN A 68 0.597 -9.638 -4.377 1.00 74.33 H new ATOM 0 HG2 GLN A 68 1.150 -11.402 -2.835 1.00 10.55 H new ATOM 0 HG3 GLN A 68 -0.521 -11.574 -2.337 1.00 10.55 H new ATOM 0 HE21 GLN A 68 1.311 -13.530 -3.681 1.00 52.22 H new ATOM 0 HE22 GLN A 68 0.385 -14.042 -5.096 1.00 52.22 H new ATOM 1008 N VAL A 69 1.990 -8.125 -1.932 1.00 65.44 N ATOM 1009 CA VAL A 69 3.211 -8.052 -1.145 1.00 73.55 C ATOM 1010 C VAL A 69 2.984 -7.393 0.241 1.00 15.14 C ATOM 1011 O VAL A 69 3.881 -7.354 1.064 1.00 33.43 O ATOM 1012 CB VAL A 69 4.329 -7.319 -1.924 1.00 42.40 C ATOM 1013 CG1 VAL A 69 4.781 -8.159 -3.113 1.00 23.04 C ATOM 1014 CG2 VAL A 69 3.828 -5.967 -2.409 1.00 45.43 C ATOM 0 H VAL A 69 1.976 -7.489 -2.730 1.00 65.44 H new ATOM 0 HA VAL A 69 3.529 -9.078 -0.962 1.00 73.55 H new ATOM 0 HB VAL A 69 5.177 -7.166 -1.256 1.00 42.40 H new ATOM 0 HG11 VAL A 69 5.568 -7.632 -3.653 1.00 23.04 H new ATOM 0 HG12 VAL A 69 5.163 -9.116 -2.758 1.00 23.04 H new ATOM 0 HG13 VAL A 69 3.936 -8.330 -3.780 1.00 23.04 H new ATOM 0 HG21 VAL A 69 4.623 -5.459 -2.956 1.00 45.43 H new ATOM 0 HG22 VAL A 69 2.970 -6.111 -3.066 1.00 45.43 H new ATOM 0 HG23 VAL A 69 3.532 -5.360 -1.553 1.00 45.43 H new ATOM 1024 N PHE A 70 1.765 -6.884 0.472 1.00 13.41 N ATOM 1025 CA PHE A 70 1.372 -6.327 1.777 1.00 3.45 C ATOM 1026 C PHE A 70 0.862 -7.445 2.679 1.00 64.43 C ATOM 1027 O PHE A 70 0.525 -7.236 3.852 1.00 35.54 O ATOM 1028 CB PHE A 70 0.280 -5.251 1.620 1.00 2.12 C ATOM 1029 CG PHE A 70 0.773 -3.860 1.282 1.00 65.41 C ATOM 1030 CD1 PHE A 70 1.835 -3.650 0.416 1.00 22.54 C ATOM 1031 CD2 PHE A 70 0.146 -2.756 1.839 1.00 43.11 C ATOM 1032 CE1 PHE A 70 2.260 -2.367 0.118 1.00 12.34 C ATOM 1033 CE2 PHE A 70 0.565 -1.479 1.550 1.00 64.32 C ATOM 1034 CZ PHE A 70 1.620 -1.281 0.690 1.00 33.44 C ATOM 0 H PHE A 70 1.029 -6.846 -0.233 1.00 13.41 H new ATOM 0 HA PHE A 70 2.249 -5.860 2.225 1.00 3.45 H new ATOM 0 HB2 PHE A 70 -0.410 -5.571 0.840 1.00 2.12 H new ATOM 0 HB3 PHE A 70 -0.289 -5.199 2.548 1.00 2.12 H new ATOM 0 HD1 PHE A 70 2.336 -4.496 -0.031 1.00 22.54 H new ATOM 0 HD2 PHE A 70 -0.686 -2.902 2.512 1.00 43.11 H new ATOM 0 HE1 PHE A 70 3.088 -2.214 -0.558 1.00 12.34 H new ATOM 0 HE2 PHE A 70 0.066 -0.632 1.998 1.00 64.32 H new ATOM 0 HZ PHE A 70 1.949 -0.278 0.461 1.00 33.44 H new ATOM 1044 N PHE A 71 0.792 -8.616 2.118 1.00 55.23 N ATOM 1045 CA PHE A 71 0.359 -9.778 2.825 1.00 21.24 C ATOM 1046 C PHE A 71 1.536 -10.694 2.997 1.00 1.24 C ATOM 1047 O PHE A 71 2.538 -10.577 2.286 1.00 14.33 O ATOM 1048 CB PHE A 71 -0.748 -10.519 2.055 1.00 40.42 C ATOM 1049 CG PHE A 71 -2.037 -9.760 1.901 1.00 15.21 C ATOM 1050 CD1 PHE A 71 -2.173 -8.779 0.932 1.00 52.24 C ATOM 1051 CD2 PHE A 71 -3.117 -10.038 2.720 1.00 63.14 C ATOM 1052 CE1 PHE A 71 -3.357 -8.093 0.785 1.00 4.22 C ATOM 1053 CE2 PHE A 71 -4.307 -9.356 2.573 1.00 52.13 C ATOM 1054 CZ PHE A 71 -4.427 -8.383 1.607 1.00 53.14 C ATOM 0 H PHE A 71 1.038 -8.790 1.144 1.00 55.23 H new ATOM 0 HA PHE A 71 -0.044 -9.474 3.791 1.00 21.24 H new ATOM 0 HB2 PHE A 71 -0.373 -10.771 1.063 1.00 40.42 H new ATOM 0 HB3 PHE A 71 -0.957 -11.459 2.565 1.00 40.42 H new ATOM 0 HD1 PHE A 71 -1.340 -8.550 0.284 1.00 52.24 H new ATOM 0 HD2 PHE A 71 -3.027 -10.797 3.483 1.00 63.14 H new ATOM 0 HE1 PHE A 71 -3.449 -7.329 0.027 1.00 4.22 H new ATOM 0 HE2 PHE A 71 -5.144 -9.585 3.216 1.00 52.13 H new ATOM 0 HZ PHE A 71 -5.358 -7.847 1.492 1.00 53.14 H new ATOM 1064 N THR A 72 1.434 -11.579 3.932 1.00 52.23 N ATOM 1065 CA THR A 72 2.449 -12.565 4.141 1.00 52.14 C ATOM 1066 C THR A 72 2.194 -13.720 3.187 1.00 0.52 C ATOM 1067 O THR A 72 1.093 -13.836 2.625 1.00 73.11 O ATOM 1068 CB THR A 72 2.417 -13.085 5.594 1.00 12.43 C ATOM 1069 OG1 THR A 72 1.081 -13.513 5.918 1.00 32.34 O ATOM 1070 CG2 THR A 72 2.863 -12.009 6.576 1.00 32.22 C ATOM 0 H THR A 72 0.645 -11.642 4.575 1.00 52.23 H new ATOM 0 HA THR A 72 3.428 -12.121 3.959 1.00 52.14 H new ATOM 0 HB THR A 72 3.108 -13.924 5.675 1.00 12.43 H new ATOM 0 HG1 THR A 72 0.487 -12.734 5.951 1.00 32.34 H new ATOM 0 HG21 THR A 72 2.830 -12.406 7.591 1.00 32.22 H new ATOM 0 HG22 THR A 72 3.882 -11.701 6.340 1.00 32.22 H new ATOM 0 HG23 THR A 72 2.197 -11.149 6.501 1.00 32.22 H new ATOM 1078 N ASN A 73 3.167 -14.592 3.031 1.00 21.22 N ATOM 1079 CA ASN A 73 3.031 -15.765 2.164 1.00 11.12 C ATOM 1080 C ASN A 73 1.998 -16.732 2.763 1.00 11.34 C ATOM 1081 O ASN A 73 1.448 -17.598 2.085 1.00 45.24 O ATOM 1082 CB ASN A 73 4.400 -16.444 1.952 1.00 22.33 C ATOM 1083 CG ASN A 73 4.358 -17.622 0.986 1.00 22.30 C ATOM 1084 OD1 ASN A 73 4.483 -17.445 -0.226 1.00 24.44 O ATOM 1085 ND2 ASN A 73 4.238 -18.818 1.501 1.00 74.32 N ATOM 0 H ASN A 73 4.073 -14.518 3.494 1.00 21.22 H new ATOM 0 HA ASN A 73 2.673 -15.453 1.183 1.00 11.12 H new ATOM 0 HB2 ASN A 73 5.108 -15.704 1.578 1.00 22.33 H new ATOM 0 HB3 ASN A 73 4.777 -16.789 2.915 1.00 22.33 H new ATOM 0 HD21 ASN A 73 4.246 -19.638 0.894 1.00 74.32 H new ATOM 0 HD22 ASN A 73 4.136 -18.931 2.510 1.00 74.32 H new ATOM 1092 N SER A 74 1.701 -16.531 4.036 1.00 11.30 N ATOM 1093 CA SER A 74 0.727 -17.320 4.739 1.00 53.15 C ATOM 1094 C SER A 74 -0.710 -16.863 4.397 1.00 22.41 C ATOM 1095 O SER A 74 -1.677 -17.547 4.721 1.00 30.53 O ATOM 1096 CB SER A 74 0.975 -17.171 6.224 1.00 31.21 C ATOM 1097 OG SER A 74 2.340 -17.416 6.514 1.00 54.22 O ATOM 0 H SER A 74 2.138 -15.808 4.607 1.00 11.30 H new ATOM 0 HA SER A 74 0.824 -18.363 4.439 1.00 53.15 H new ATOM 0 HB2 SER A 74 0.700 -16.167 6.548 1.00 31.21 H new ATOM 0 HB3 SER A 74 0.346 -17.868 6.778 1.00 31.21 H new ATOM 0 HG SER A 74 2.493 -17.316 7.477 1.00 54.22 H new ATOM 1103 N GLY A 75 -0.835 -15.718 3.734 1.00 71.52 N ATOM 1104 CA GLY A 75 -2.144 -15.229 3.347 1.00 31.15 C ATOM 1105 C GLY A 75 -2.762 -14.335 4.397 1.00 72.43 C ATOM 1106 O GLY A 75 -3.948 -14.014 4.332 1.00 33.53 O ATOM 0 H GLY A 75 -0.055 -15.122 3.459 1.00 71.52 H new ATOM 0 HA2 GLY A 75 -2.060 -14.679 2.410 1.00 31.15 H new ATOM 0 HA3 GLY A 75 -2.804 -16.076 3.161 1.00 31.15 H new ATOM 1110 N GLN A 76 -1.969 -13.952 5.368 1.00 50.35 N ATOM 1111 CA GLN A 76 -2.418 -13.063 6.422 1.00 44.10 C ATOM 1112 C GLN A 76 -1.853 -11.675 6.205 1.00 62.25 C ATOM 1113 O GLN A 76 -0.745 -11.528 5.660 1.00 41.12 O ATOM 1114 CB GLN A 76 -1.971 -13.553 7.821 1.00 43.13 C ATOM 1115 CG GLN A 76 -2.803 -14.658 8.477 1.00 14.35 C ATOM 1116 CD GLN A 76 -2.789 -15.986 7.759 1.00 61.04 C ATOM 1117 OE1 GLN A 76 -3.638 -16.266 6.903 1.00 55.12 O ATOM 1118 NE2 GLN A 76 -1.849 -16.823 8.108 1.00 64.45 N ATOM 0 H GLN A 76 -0.996 -14.245 5.454 1.00 50.35 H new ATOM 0 HA GLN A 76 -3.507 -13.049 6.384 1.00 44.10 H new ATOM 0 HB2 GLN A 76 -0.943 -13.907 7.742 1.00 43.13 H new ATOM 0 HB3 GLN A 76 -1.962 -12.694 8.492 1.00 43.13 H new ATOM 0 HG2 GLN A 76 -2.440 -14.809 9.494 1.00 14.35 H new ATOM 0 HG3 GLN A 76 -3.835 -14.316 8.555 1.00 14.35 H new ATOM 0 HE21 GLN A 76 -1.167 -16.556 8.818 1.00 64.45 H new ATOM 0 HE22 GLN A 76 -1.797 -17.743 7.671 1.00 64.45 H new ATOM 1127 N VAL A 77 -2.604 -10.674 6.604 1.00 64.00 N ATOM 1128 CA VAL A 77 -2.137 -9.295 6.611 1.00 51.45 C ATOM 1129 C VAL A 77 -0.967 -9.186 7.585 1.00 74.34 C ATOM 1130 O VAL A 77 -1.016 -9.784 8.674 1.00 61.42 O ATOM 1131 CB VAL A 77 -3.291 -8.324 7.048 1.00 74.41 C ATOM 1132 CG1 VAL A 77 -2.771 -6.933 7.375 1.00 51.02 C ATOM 1133 CG2 VAL A 77 -4.316 -8.213 5.945 1.00 35.01 C ATOM 0 H VAL A 77 -3.562 -10.788 6.936 1.00 64.00 H new ATOM 0 HA VAL A 77 -1.819 -9.012 5.608 1.00 51.45 H new ATOM 0 HB VAL A 77 -3.742 -8.743 7.947 1.00 74.41 H new ATOM 0 HG11 VAL A 77 -3.603 -6.294 7.672 1.00 51.02 H new ATOM 0 HG12 VAL A 77 -2.052 -6.996 8.192 1.00 51.02 H new ATOM 0 HG13 VAL A 77 -2.285 -6.510 6.496 1.00 51.02 H new ATOM 0 HG21 VAL A 77 -5.113 -7.538 6.256 1.00 35.01 H new ATOM 0 HG22 VAL A 77 -3.841 -7.823 5.045 1.00 35.01 H new ATOM 0 HG23 VAL A 77 -4.735 -9.198 5.737 1.00 35.01 H new ATOM 1143 N VAL A 78 0.088 -8.486 7.182 1.00 31.44 N ATOM 1144 CA VAL A 78 1.251 -8.291 8.029 1.00 44.53 C ATOM 1145 C VAL A 78 0.834 -7.593 9.328 1.00 44.10 C ATOM 1146 O VAL A 78 0.108 -6.600 9.303 1.00 44.22 O ATOM 1147 CB VAL A 78 2.367 -7.479 7.300 1.00 44.24 C ATOM 1148 CG1 VAL A 78 3.576 -7.254 8.204 1.00 14.13 C ATOM 1149 CG2 VAL A 78 2.797 -8.196 6.029 1.00 64.13 C ATOM 0 H VAL A 78 0.158 -8.043 6.266 1.00 31.44 H new ATOM 0 HA VAL A 78 1.668 -9.270 8.265 1.00 44.53 H new ATOM 0 HB VAL A 78 1.952 -6.505 7.042 1.00 44.24 H new ATOM 0 HG11 VAL A 78 4.333 -6.686 7.664 1.00 14.13 H new ATOM 0 HG12 VAL A 78 3.269 -6.699 9.091 1.00 14.13 H new ATOM 0 HG13 VAL A 78 3.990 -8.217 8.504 1.00 14.13 H new ATOM 0 HG21 VAL A 78 3.576 -7.618 5.531 1.00 64.13 H new ATOM 0 HG22 VAL A 78 3.183 -9.184 6.281 1.00 64.13 H new ATOM 0 HG23 VAL A 78 1.941 -8.301 5.363 1.00 64.13 H new ATOM 1159 N LYS A 79 1.311 -8.121 10.444 1.00 42.45 N ATOM 1160 CA LYS A 79 0.944 -7.660 11.791 1.00 13.34 C ATOM 1161 C LYS A 79 1.164 -6.154 12.030 1.00 30.03 C ATOM 1162 O LYS A 79 0.479 -5.547 12.842 1.00 14.02 O ATOM 1163 CB LYS A 79 1.674 -8.486 12.854 1.00 53.51 C ATOM 1164 CG LYS A 79 3.169 -8.509 12.660 1.00 23.33 C ATOM 1165 CD LYS A 79 3.902 -9.284 13.760 1.00 4.53 C ATOM 1166 CE LYS A 79 3.497 -10.757 13.816 1.00 4.52 C ATOM 1167 NZ LYS A 79 4.208 -11.477 14.892 1.00 3.02 N ATOM 0 H LYS A 79 1.975 -8.895 10.449 1.00 42.45 H new ATOM 0 HA LYS A 79 -0.132 -7.814 11.874 1.00 13.34 H new ATOM 0 HB2 LYS A 79 1.448 -8.080 13.840 1.00 53.51 H new ATOM 0 HB3 LYS A 79 1.295 -9.508 12.835 1.00 53.51 H new ATOM 0 HG2 LYS A 79 3.398 -8.957 11.693 1.00 23.33 H new ATOM 0 HG3 LYS A 79 3.543 -7.485 12.633 1.00 23.33 H new ATOM 0 HD2 LYS A 79 4.977 -9.213 13.594 1.00 4.53 H new ATOM 0 HD3 LYS A 79 3.698 -8.819 14.724 1.00 4.53 H new ATOM 0 HE2 LYS A 79 2.421 -10.833 13.976 1.00 4.52 H new ATOM 0 HE3 LYS A 79 3.711 -11.230 12.858 1.00 4.52 H new ATOM 0 HZ1 LYS A 79 3.908 -12.473 14.900 1.00 3.02 H new ATOM 0 HZ2 LYS A 79 5.233 -11.425 14.726 1.00 3.02 H new ATOM 0 HZ3 LYS A 79 3.984 -11.041 15.809 1.00 3.02 H new ATOM 1181 N SER A 80 2.082 -5.556 11.312 1.00 44.24 N ATOM 1182 CA SER A 80 2.371 -4.163 11.517 1.00 12.31 C ATOM 1183 C SER A 80 1.993 -3.335 10.272 1.00 1.23 C ATOM 1184 O SER A 80 2.434 -2.184 10.120 1.00 21.13 O ATOM 1185 CB SER A 80 3.858 -3.999 11.888 1.00 3.54 C ATOM 1186 OG SER A 80 4.149 -2.676 12.312 1.00 53.23 O ATOM 0 H SER A 80 2.637 -6.010 10.586 1.00 44.24 H new ATOM 0 HA SER A 80 1.768 -3.784 12.342 1.00 12.31 H new ATOM 0 HB2 SER A 80 4.115 -4.701 12.682 1.00 3.54 H new ATOM 0 HB3 SER A 80 4.478 -4.250 11.027 1.00 3.54 H new ATOM 0 HG SER A 80 3.610 -2.041 11.796 1.00 53.23 H new ATOM 1192 N LEU A 81 1.133 -3.902 9.418 1.00 24.23 N ATOM 1193 CA LEU A 81 0.704 -3.222 8.192 1.00 74.32 C ATOM 1194 C LEU A 81 -0.092 -1.922 8.514 1.00 21.41 C ATOM 1195 O LEU A 81 0.308 -0.837 8.075 1.00 3.32 O ATOM 1196 CB LEU A 81 -0.115 -4.156 7.283 1.00 72.14 C ATOM 1197 CG LEU A 81 -0.329 -3.668 5.857 1.00 15.21 C ATOM 1198 CD1 LEU A 81 0.969 -3.738 5.091 1.00 13.33 C ATOM 1199 CD2 LEU A 81 -1.387 -4.485 5.164 1.00 53.32 C ATOM 0 H LEU A 81 0.722 -4.826 9.553 1.00 24.23 H new ATOM 0 HA LEU A 81 1.605 -2.938 7.649 1.00 74.32 H new ATOM 0 HB2 LEU A 81 0.383 -5.125 7.245 1.00 72.14 H new ATOM 0 HB3 LEU A 81 -1.090 -4.317 7.743 1.00 72.14 H new ATOM 0 HG LEU A 81 -0.668 -2.633 5.893 1.00 15.21 H new ATOM 0 HD11 LEU A 81 0.809 -3.387 4.071 1.00 13.33 H new ATOM 0 HD12 LEU A 81 1.714 -3.109 5.579 1.00 13.33 H new ATOM 0 HD13 LEU A 81 1.323 -4.769 5.069 1.00 13.33 H new ATOM 0 HD21 LEU A 81 -1.522 -4.118 4.147 1.00 53.32 H new ATOM 0 HD22 LEU A 81 -1.078 -5.530 5.134 1.00 53.32 H new ATOM 0 HD23 LEU A 81 -2.327 -4.400 5.709 1.00 53.32 H new ATOM 1211 N PRO A 82 -1.210 -1.987 9.326 1.00 72.34 N ATOM 1212 CA PRO A 82 -1.975 -0.784 9.694 1.00 52.11 C ATOM 1213 C PRO A 82 -1.111 0.228 10.453 1.00 35.25 C ATOM 1214 O PRO A 82 -1.329 1.436 10.366 1.00 2.33 O ATOM 1215 CB PRO A 82 -3.097 -1.313 10.611 1.00 35.45 C ATOM 1216 CG PRO A 82 -2.659 -2.677 11.023 1.00 73.13 C ATOM 1217 CD PRO A 82 -1.840 -3.206 9.892 1.00 72.22 C ATOM 0 HA PRO A 82 -2.348 -0.261 8.814 1.00 52.11 H new ATOM 0 HB2 PRO A 82 -3.235 -0.666 11.477 1.00 35.45 H new ATOM 0 HB3 PRO A 82 -4.051 -1.349 10.085 1.00 35.45 H new ATOM 0 HG2 PRO A 82 -2.075 -2.638 11.943 1.00 73.13 H new ATOM 0 HG3 PRO A 82 -3.517 -3.320 11.217 1.00 73.13 H new ATOM 0 HD2 PRO A 82 -1.093 -3.922 10.236 1.00 72.22 H new ATOM 0 HD3 PRO A 82 -2.457 -3.719 9.154 1.00 72.22 H new ATOM 1225 N GLY A 83 -0.109 -0.280 11.159 1.00 71.53 N ATOM 1226 CA GLY A 83 0.778 0.557 11.933 1.00 71.32 C ATOM 1227 C GLY A 83 1.594 1.489 11.059 1.00 54.11 C ATOM 1228 O GLY A 83 1.698 2.688 11.349 1.00 23.54 O ATOM 0 H GLY A 83 0.105 -1.276 11.207 1.00 71.53 H new ATOM 0 HA2 GLY A 83 0.194 1.144 12.642 1.00 71.32 H new ATOM 0 HA3 GLY A 83 1.450 -0.071 12.517 1.00 71.32 H new ATOM 1232 N LEU A 84 2.144 0.956 9.964 1.00 15.23 N ATOM 1233 CA LEU A 84 2.956 1.767 9.069 1.00 42.44 C ATOM 1234 C LEU A 84 2.075 2.785 8.374 1.00 3.43 C ATOM 1235 O LEU A 84 2.439 3.936 8.236 1.00 1.44 O ATOM 1236 CB LEU A 84 3.754 0.894 8.054 1.00 60.11 C ATOM 1237 CG LEU A 84 2.982 0.231 6.888 1.00 73.03 C ATOM 1238 CD1 LEU A 84 2.914 1.144 5.650 1.00 12.31 C ATOM 1239 CD2 LEU A 84 3.580 -1.119 6.542 1.00 2.12 C ATOM 0 H LEU A 84 2.041 -0.019 9.684 1.00 15.23 H new ATOM 0 HA LEU A 84 3.703 2.298 9.659 1.00 42.44 H new ATOM 0 HB2 LEU A 84 4.536 1.518 7.622 1.00 60.11 H new ATOM 0 HB3 LEU A 84 4.251 0.103 8.615 1.00 60.11 H new ATOM 0 HG LEU A 84 1.957 0.073 7.224 1.00 73.03 H new ATOM 0 HD11 LEU A 84 2.364 0.640 4.856 1.00 12.31 H new ATOM 0 HD12 LEU A 84 2.406 2.073 5.910 1.00 12.31 H new ATOM 0 HD13 LEU A 84 3.924 1.367 5.306 1.00 12.31 H new ATOM 0 HD21 LEU A 84 3.020 -1.565 5.720 1.00 2.12 H new ATOM 0 HD22 LEU A 84 4.621 -0.991 6.245 1.00 2.12 H new ATOM 0 HD23 LEU A 84 3.529 -1.773 7.412 1.00 2.12 H new ATOM 1251 N LEU A 85 0.893 2.347 7.982 1.00 64.41 N ATOM 1252 CA LEU A 85 -0.050 3.198 7.286 1.00 24.45 C ATOM 1253 C LEU A 85 -0.445 4.369 8.148 1.00 54.24 C ATOM 1254 O LEU A 85 -0.410 5.500 7.706 1.00 45.43 O ATOM 1255 CB LEU A 85 -1.285 2.400 6.877 1.00 74.24 C ATOM 1256 CG LEU A 85 -1.039 1.250 5.903 1.00 61.11 C ATOM 1257 CD1 LEU A 85 -2.299 0.458 5.697 1.00 61.41 C ATOM 1258 CD2 LEU A 85 -0.536 1.773 4.574 1.00 63.33 C ATOM 0 H LEU A 85 0.562 1.395 8.137 1.00 64.41 H new ATOM 0 HA LEU A 85 0.432 3.580 6.386 1.00 24.45 H new ATOM 0 HB2 LEU A 85 -1.748 1.996 7.777 1.00 74.24 H new ATOM 0 HB3 LEU A 85 -2.005 3.084 6.428 1.00 74.24 H new ATOM 0 HG LEU A 85 -0.278 0.599 6.333 1.00 61.11 H new ATOM 0 HD11 LEU A 85 -2.106 -0.358 5.000 1.00 61.41 H new ATOM 0 HD12 LEU A 85 -2.632 0.049 6.651 1.00 61.41 H new ATOM 0 HD13 LEU A 85 -3.074 1.107 5.290 1.00 61.41 H new ATOM 0 HD21 LEU A 85 -0.367 0.938 3.895 1.00 63.33 H new ATOM 0 HD22 LEU A 85 -1.277 2.446 4.144 1.00 63.33 H new ATOM 0 HD23 LEU A 85 0.399 2.312 4.726 1.00 63.33 H new ATOM 1270 N THR A 86 -0.720 4.091 9.400 1.00 40.01 N ATOM 1271 CA THR A 86 -1.195 5.095 10.339 1.00 33.42 C ATOM 1272 C THR A 86 -0.193 6.258 10.569 1.00 21.33 C ATOM 1273 O THR A 86 -0.606 7.420 10.689 1.00 24.34 O ATOM 1274 CB THR A 86 -1.632 4.441 11.667 1.00 21.04 C ATOM 1275 OG1 THR A 86 -2.673 3.504 11.377 1.00 52.14 O ATOM 1276 CG2 THR A 86 -2.166 5.469 12.653 1.00 0.13 C ATOM 0 H THR A 86 -0.622 3.159 9.804 1.00 40.01 H new ATOM 0 HA THR A 86 -2.068 5.557 9.879 1.00 33.42 H new ATOM 0 HB THR A 86 -0.766 3.957 12.119 1.00 21.04 H new ATOM 0 HG1 THR A 86 -2.281 2.622 11.206 1.00 52.14 H new ATOM 0 HG21 THR A 86 -2.463 4.969 13.575 1.00 0.13 H new ATOM 0 HG22 THR A 86 -1.389 6.201 12.872 1.00 0.13 H new ATOM 0 HG23 THR A 86 -3.029 5.974 12.220 1.00 0.13 H new ATOM 1284 N ILE A 87 1.103 5.972 10.595 1.00 71.10 N ATOM 1285 CA ILE A 87 2.069 7.039 10.797 1.00 71.12 C ATOM 1286 C ILE A 87 2.101 7.991 9.572 1.00 12.11 C ATOM 1287 O ILE A 87 2.056 9.212 9.727 1.00 2.50 O ATOM 1288 CB ILE A 87 3.487 6.502 11.294 1.00 62.32 C ATOM 1289 CG1 ILE A 87 4.520 7.625 11.620 1.00 42.12 C ATOM 1290 CG2 ILE A 87 4.086 5.464 10.370 1.00 75.33 C ATOM 1291 CD1 ILE A 87 5.164 8.331 10.428 1.00 23.23 C ATOM 0 H ILE A 87 1.499 5.039 10.482 1.00 71.10 H new ATOM 0 HA ILE A 87 1.738 7.657 11.631 1.00 71.12 H new ATOM 0 HB ILE A 87 3.262 6.010 12.241 1.00 62.32 H new ATOM 0 HG12 ILE A 87 4.023 8.377 12.233 1.00 42.12 H new ATOM 0 HG13 ILE A 87 5.314 7.191 12.228 1.00 42.12 H new ATOM 0 HG21 ILE A 87 5.049 5.139 10.763 1.00 75.33 H new ATOM 0 HG22 ILE A 87 3.415 4.608 10.301 1.00 75.33 H new ATOM 0 HG23 ILE A 87 4.226 5.896 9.379 1.00 75.33 H new ATOM 0 HD11 ILE A 87 5.861 9.088 10.787 1.00 23.23 H new ATOM 0 HD12 ILE A 87 5.701 7.603 9.820 1.00 23.23 H new ATOM 0 HD13 ILE A 87 4.390 8.807 9.825 1.00 23.23 H new ATOM 1303 N LEU A 88 2.121 7.434 8.366 1.00 63.51 N ATOM 1304 CA LEU A 88 2.057 8.263 7.150 1.00 73.42 C ATOM 1305 C LEU A 88 0.699 8.936 7.014 1.00 40.12 C ATOM 1306 O LEU A 88 0.595 10.060 6.526 1.00 41.34 O ATOM 1307 CB LEU A 88 2.365 7.490 5.867 1.00 20.32 C ATOM 1308 CG LEU A 88 3.789 6.985 5.639 1.00 63.45 C ATOM 1309 CD1 LEU A 88 4.822 8.088 5.815 1.00 45.32 C ATOM 1310 CD2 LEU A 88 4.084 5.800 6.502 1.00 2.13 C ATOM 0 H LEU A 88 2.180 6.430 8.197 1.00 63.51 H new ATOM 0 HA LEU A 88 2.836 9.016 7.274 1.00 73.42 H new ATOM 0 HB2 LEU A 88 1.699 6.628 5.833 1.00 20.32 H new ATOM 0 HB3 LEU A 88 2.102 8.130 5.024 1.00 20.32 H new ATOM 0 HG LEU A 88 3.858 6.661 4.601 1.00 63.45 H new ATOM 0 HD11 LEU A 88 5.819 7.683 5.643 1.00 45.32 H new ATOM 0 HD12 LEU A 88 4.627 8.887 5.100 1.00 45.32 H new ATOM 0 HD13 LEU A 88 4.761 8.485 6.828 1.00 45.32 H new ATOM 0 HD21 LEU A 88 5.104 5.462 6.319 1.00 2.13 H new ATOM 0 HD22 LEU A 88 3.976 6.078 7.551 1.00 2.13 H new ATOM 0 HD23 LEU A 88 3.387 4.996 6.266 1.00 2.13 H new ATOM 1322 N HIS A 89 -0.328 8.225 7.428 1.00 62.43 N ATOM 1323 CA HIS A 89 -1.710 8.693 7.381 1.00 13.25 C ATOM 1324 C HIS A 89 -1.844 9.961 8.231 1.00 31.44 C ATOM 1325 O HIS A 89 -2.504 10.922 7.835 1.00 74.50 O ATOM 1326 CB HIS A 89 -2.632 7.574 7.907 1.00 5.43 C ATOM 1327 CG HIS A 89 -4.089 7.697 7.579 1.00 31.24 C ATOM 1328 ND1 HIS A 89 -5.094 7.133 8.342 1.00 43.12 N ATOM 1329 CD2 HIS A 89 -4.702 8.237 6.500 1.00 64.03 C ATOM 1330 CE1 HIS A 89 -6.252 7.335 7.715 1.00 3.44 C ATOM 1331 NE2 HIS A 89 -6.073 8.002 6.587 1.00 40.23 N ATOM 0 H HIS A 89 -0.231 7.286 7.815 1.00 62.43 H new ATOM 0 HA HIS A 89 -1.998 8.934 6.358 1.00 13.25 H new ATOM 0 HB2 HIS A 89 -2.273 6.623 7.513 1.00 5.43 H new ATOM 0 HB3 HIS A 89 -2.529 7.529 8.991 1.00 5.43 H new ATOM 0 HD2 HIS A 89 -4.207 8.766 5.699 1.00 64.03 H new ATOM 0 HE1 HIS A 89 -7.211 6.998 8.080 1.00 3.44 H new ATOM 0 HE2 HIS A 89 -6.790 8.286 5.919 1.00 40.23 H new ATOM 1339 N ASP A 90 -1.162 9.969 9.374 1.00 70.52 N ATOM 1340 CA ASP A 90 -1.137 11.131 10.282 1.00 14.52 C ATOM 1341 C ASP A 90 -0.390 12.293 9.622 1.00 63.45 C ATOM 1342 O ASP A 90 -0.721 13.471 9.811 1.00 32.54 O ATOM 1343 CB ASP A 90 -0.460 10.748 11.609 1.00 51.05 C ATOM 1344 CG ASP A 90 -0.458 11.870 12.630 1.00 61.00 C ATOM 1345 OD1 ASP A 90 -1.513 12.114 13.252 1.00 71.33 O ATOM 1346 OD2 ASP A 90 0.595 12.513 12.846 1.00 11.31 O ATOM 0 H ASP A 90 -0.610 9.177 9.703 1.00 70.52 H new ATOM 0 HA ASP A 90 -2.161 11.443 10.489 1.00 14.52 H new ATOM 0 HB2 ASP A 90 -0.970 9.883 12.032 1.00 51.05 H new ATOM 0 HB3 ASP A 90 0.568 10.446 11.410 1.00 51.05 H new ATOM 1351 N GLY A 91 0.574 11.937 8.782 1.00 13.13 N ATOM 1352 CA GLY A 91 1.351 12.910 8.036 1.00 24.45 C ATOM 1353 C GLY A 91 0.606 13.413 6.799 1.00 54.13 C ATOM 1354 O GLY A 91 1.109 14.263 6.062 1.00 32.41 O ATOM 0 H GLY A 91 0.836 10.968 8.601 1.00 13.13 H new ATOM 0 HA2 GLY A 91 1.591 13.754 8.682 1.00 24.45 H new ATOM 0 HA3 GLY A 91 2.297 12.462 7.732 1.00 24.45 H new ATOM 1358 N GLY A 92 -0.574 12.857 6.562 1.00 40.14 N ATOM 1359 CA GLY A 92 -1.411 13.280 5.460 1.00 54.45 C ATOM 1360 C GLY A 92 -0.988 12.693 4.133 1.00 54.21 C ATOM 1361 O GLY A 92 -1.308 13.237 3.077 1.00 1.45 O ATOM 0 H GLY A 92 -0.971 12.106 7.126 1.00 40.14 H new ATOM 0 HA2 GLY A 92 -2.443 12.993 5.665 1.00 54.45 H new ATOM 0 HA3 GLY A 92 -1.390 14.368 5.392 1.00 54.45 H new ATOM 1365 N TYR A 93 -0.281 11.589 4.168 1.00 71.23 N ATOM 1366 CA TYR A 93 0.179 10.964 2.951 1.00 42.05 C ATOM 1367 C TYR A 93 -0.865 10.017 2.397 1.00 63.44 C ATOM 1368 O TYR A 93 -1.498 9.265 3.143 1.00 21.55 O ATOM 1369 CB TYR A 93 1.502 10.233 3.162 1.00 30.12 C ATOM 1370 CG TYR A 93 2.657 11.138 3.513 1.00 50.00 C ATOM 1371 CD1 TYR A 93 3.302 11.874 2.532 1.00 14.53 C ATOM 1372 CD2 TYR A 93 3.105 11.254 4.820 1.00 72.41 C ATOM 1373 CE1 TYR A 93 4.357 12.702 2.844 1.00 14.42 C ATOM 1374 CE2 TYR A 93 4.160 12.079 5.140 1.00 31.32 C ATOM 1375 CZ TYR A 93 4.781 12.803 4.148 1.00 12.11 C ATOM 1376 OH TYR A 93 5.842 13.630 4.461 1.00 30.34 O ATOM 0 H TYR A 93 -0.012 11.105 5.025 1.00 71.23 H new ATOM 0 HA TYR A 93 0.346 11.758 2.223 1.00 42.05 H new ATOM 0 HB2 TYR A 93 1.376 9.498 3.957 1.00 30.12 H new ATOM 0 HB3 TYR A 93 1.749 9.682 2.255 1.00 30.12 H new ATOM 0 HD1 TYR A 93 2.972 11.797 1.507 1.00 14.53 H new ATOM 0 HD2 TYR A 93 2.618 10.688 5.600 1.00 72.41 H new ATOM 0 HE1 TYR A 93 4.849 13.269 2.068 1.00 14.42 H new ATOM 0 HE2 TYR A 93 4.498 12.157 6.163 1.00 31.32 H new ATOM 0 HH TYR A 93 6.673 13.110 4.462 1.00 30.34 H new ATOM 1386 N ARG A 94 -1.059 10.076 1.098 1.00 22.30 N ATOM 1387 CA ARG A 94 -2.004 9.201 0.424 1.00 54.23 C ATOM 1388 C ARG A 94 -1.407 7.801 0.238 1.00 32.43 C ATOM 1389 O ARG A 94 -0.190 7.598 0.413 1.00 31.32 O ATOM 1390 CB ARG A 94 -2.432 9.770 -0.947 1.00 63.14 C ATOM 1391 CG ARG A 94 -1.282 9.960 -1.909 1.00 25.23 C ATOM 1392 CD ARG A 94 -1.719 10.380 -3.298 1.00 72.31 C ATOM 1393 NE ARG A 94 -0.556 10.511 -4.194 1.00 54.21 N ATOM 1394 CZ ARG A 94 -0.595 10.754 -5.513 1.00 62.00 C ATOM 1395 NH1 ARG A 94 -1.750 10.932 -6.144 1.00 4.15 N ATOM 1396 NH2 ARG A 94 0.537 10.820 -6.189 1.00 44.13 N ATOM 0 H ARG A 94 -0.572 10.725 0.480 1.00 22.30 H new ATOM 0 HA ARG A 94 -2.889 9.135 1.057 1.00 54.23 H new ATOM 0 HB2 ARG A 94 -3.164 9.099 -1.397 1.00 63.14 H new ATOM 0 HB3 ARG A 94 -2.929 10.728 -0.794 1.00 63.14 H new ATOM 0 HG2 ARG A 94 -0.603 10.712 -1.507 1.00 25.23 H new ATOM 0 HG3 ARG A 94 -0.720 9.029 -1.980 1.00 25.23 H new ATOM 0 HD2 ARG A 94 -2.415 9.646 -3.703 1.00 72.31 H new ATOM 0 HD3 ARG A 94 -2.252 11.329 -3.245 1.00 72.31 H new ATOM 0 HE ARG A 94 0.366 10.407 -3.771 1.00 54.21 H new ATOM 0 HH11 ARG A 94 -2.627 10.885 -5.625 1.00 4.15 H new ATOM 0 HH12 ARG A 94 -1.760 11.116 -7.147 1.00 4.15 H new ATOM 0 HH21 ARG A 94 1.427 10.687 -5.708 1.00 44.13 H new ATOM 0 HH22 ARG A 94 0.522 11.004 -7.192 1.00 44.13 H new ATOM 1410 N ASP A 95 -2.257 6.885 -0.187 1.00 14.43 N ATOM 1411 CA ASP A 95 -1.921 5.468 -0.432 1.00 21.25 C ATOM 1412 C ASP A 95 -0.738 5.322 -1.386 1.00 54.44 C ATOM 1413 O ASP A 95 0.170 4.503 -1.165 1.00 61.14 O ATOM 1414 CB ASP A 95 -3.155 4.756 -1.030 1.00 55.23 C ATOM 1415 CG ASP A 95 -3.765 5.518 -2.212 1.00 33.32 C ATOM 1416 OD1 ASP A 95 -3.266 5.398 -3.348 1.00 12.11 O ATOM 1417 OD2 ASP A 95 -4.721 6.306 -1.983 1.00 10.43 O ATOM 0 H ASP A 95 -3.235 7.099 -0.382 1.00 14.43 H new ATOM 0 HA ASP A 95 -1.639 5.015 0.518 1.00 21.25 H new ATOM 0 HB2 ASP A 95 -2.869 3.756 -1.357 1.00 55.23 H new ATOM 0 HB3 ASP A 95 -3.910 4.634 -0.254 1.00 55.23 H new ATOM 1422 N THR A 96 -0.735 6.142 -2.398 1.00 2.13 N ATOM 1423 CA THR A 96 0.279 6.161 -3.400 1.00 62.41 C ATOM 1424 C THR A 96 1.643 6.496 -2.794 1.00 34.41 C ATOM 1425 O THR A 96 2.646 5.869 -3.117 1.00 44.13 O ATOM 1426 CB THR A 96 -0.088 7.214 -4.423 1.00 10.14 C ATOM 1427 OG1 THR A 96 -1.449 7.001 -4.839 1.00 32.01 O ATOM 1428 CG2 THR A 96 0.839 7.161 -5.621 1.00 24.22 C ATOM 0 H THR A 96 -1.466 6.837 -2.548 1.00 2.13 H new ATOM 0 HA THR A 96 0.347 5.176 -3.862 1.00 62.41 H new ATOM 0 HB THR A 96 0.015 8.200 -3.970 1.00 10.14 H new ATOM 0 HG1 THR A 96 -1.859 6.312 -4.276 1.00 32.01 H new ATOM 0 HG21 THR A 96 0.550 7.929 -6.339 1.00 24.22 H new ATOM 0 HG22 THR A 96 1.865 7.335 -5.295 1.00 24.22 H new ATOM 0 HG23 THR A 96 0.770 6.180 -6.092 1.00 24.22 H new ATOM 1436 N GLU A 97 1.659 7.469 -1.893 1.00 72.15 N ATOM 1437 CA GLU A 97 2.890 7.900 -1.283 1.00 5.23 C ATOM 1438 C GLU A 97 3.465 6.817 -0.404 1.00 1.53 C ATOM 1439 O GLU A 97 4.671 6.677 -0.320 1.00 33.44 O ATOM 1440 CB GLU A 97 2.744 9.207 -0.513 1.00 62.32 C ATOM 1441 CG GLU A 97 2.115 10.331 -1.316 1.00 53.14 C ATOM 1442 CD GLU A 97 2.730 10.541 -2.682 1.00 53.42 C ATOM 1443 OE1 GLU A 97 3.752 11.236 -2.796 1.00 64.13 O ATOM 1444 OE2 GLU A 97 2.160 10.044 -3.676 1.00 74.24 O ATOM 0 H GLU A 97 0.829 7.969 -1.575 1.00 72.15 H new ATOM 0 HA GLU A 97 3.588 8.096 -2.097 1.00 5.23 H new ATOM 0 HB2 GLU A 97 2.139 9.027 0.376 1.00 62.32 H new ATOM 0 HB3 GLU A 97 3.728 9.526 -0.170 1.00 62.32 H new ATOM 0 HG2 GLU A 97 1.052 10.124 -1.437 1.00 53.14 H new ATOM 0 HG3 GLU A 97 2.197 11.257 -0.748 1.00 53.14 H new ATOM 1451 N ILE A 98 2.593 6.024 0.235 1.00 31.20 N ATOM 1452 CA ILE A 98 3.074 4.951 1.111 1.00 70.33 C ATOM 1453 C ILE A 98 3.881 3.982 0.273 1.00 21.21 C ATOM 1454 O ILE A 98 5.022 3.661 0.585 1.00 54.35 O ATOM 1455 CB ILE A 98 1.936 4.095 1.744 1.00 13.10 C ATOM 1456 CG1 ILE A 98 0.737 4.913 2.213 1.00 24.11 C ATOM 1457 CG2 ILE A 98 2.484 3.291 2.902 1.00 24.51 C ATOM 1458 CD1 ILE A 98 1.055 6.044 3.155 1.00 3.54 C ATOM 0 H ILE A 98 1.578 6.102 0.164 1.00 31.20 H new ATOM 0 HA ILE A 98 3.636 5.440 1.907 1.00 70.33 H new ATOM 0 HB ILE A 98 1.573 3.438 0.954 1.00 13.10 H new ATOM 0 HG12 ILE A 98 0.233 5.323 1.337 1.00 24.11 H new ATOM 0 HG13 ILE A 98 0.031 4.243 2.703 1.00 24.11 H new ATOM 0 HG21 ILE A 98 1.685 2.694 3.341 1.00 24.51 H new ATOM 0 HG22 ILE A 98 3.275 2.631 2.545 1.00 24.51 H new ATOM 0 HG23 ILE A 98 2.888 3.967 3.656 1.00 24.51 H new ATOM 0 HD11 ILE A 98 0.135 6.561 3.427 1.00 3.54 H new ATOM 0 HD12 ILE A 98 1.528 5.647 4.054 1.00 3.54 H new ATOM 0 HD13 ILE A 98 1.733 6.744 2.667 1.00 3.54 H new ATOM 1470 N MET A 99 3.300 3.581 -0.851 1.00 62.43 N ATOM 1471 CA MET A 99 3.957 2.634 -1.719 1.00 25.32 C ATOM 1472 C MET A 99 5.098 3.250 -2.512 1.00 0.50 C ATOM 1473 O MET A 99 5.920 2.530 -3.072 1.00 11.43 O ATOM 1474 CB MET A 99 3.001 1.869 -2.628 1.00 14.42 C ATOM 1475 CG MET A 99 2.156 2.690 -3.560 1.00 41.34 C ATOM 1476 SD MET A 99 1.478 1.668 -4.891 1.00 2.25 S ATOM 1477 CE MET A 99 0.678 0.380 -3.938 1.00 13.32 C ATOM 0 H MET A 99 2.385 3.897 -1.173 1.00 62.43 H new ATOM 0 HA MET A 99 4.392 1.899 -1.042 1.00 25.32 H new ATOM 0 HB2 MET A 99 3.586 1.170 -3.225 1.00 14.42 H new ATOM 0 HB3 MET A 99 2.337 1.275 -2.001 1.00 14.42 H new ATOM 0 HG2 MET A 99 1.342 3.156 -3.004 1.00 41.34 H new ATOM 0 HG3 MET A 99 2.754 3.496 -3.984 1.00 41.34 H new ATOM 0 HE1 MET A 99 0.022 -0.199 -4.588 1.00 13.32 H new ATOM 0 HE2 MET A 99 1.434 -0.277 -3.507 1.00 13.32 H new ATOM 0 HE3 MET A 99 0.091 0.831 -3.138 1.00 13.32 H new ATOM 1487 N ARG A 100 5.148 4.569 -2.532 1.00 5.32 N ATOM 1488 CA ARG A 100 6.175 5.312 -3.237 1.00 12.51 C ATOM 1489 C ARG A 100 7.552 4.930 -2.704 1.00 72.21 C ATOM 1490 O ARG A 100 8.340 4.306 -3.407 1.00 1.44 O ATOM 1491 CB ARG A 100 5.887 6.811 -3.094 1.00 31.45 C ATOM 1492 CG ARG A 100 6.934 7.763 -3.617 1.00 60.44 C ATOM 1493 CD ARG A 100 6.471 9.194 -3.400 1.00 21.41 C ATOM 1494 NE ARG A 100 7.527 10.159 -3.662 1.00 61.35 N ATOM 1495 CZ ARG A 100 7.423 11.477 -3.524 1.00 4.13 C ATOM 1496 NH1 ARG A 100 6.267 12.029 -3.197 1.00 71.13 N ATOM 1497 NH2 ARG A 100 8.492 12.248 -3.712 1.00 14.30 N ATOM 0 H ARG A 100 4.469 5.161 -2.054 1.00 5.32 H new ATOM 0 HA ARG A 100 6.167 5.066 -4.299 1.00 12.51 H new ATOM 0 HB2 ARG A 100 4.948 7.026 -3.605 1.00 31.45 H new ATOM 0 HB3 ARG A 100 5.731 7.027 -2.037 1.00 31.45 H new ATOM 0 HG2 ARG A 100 7.882 7.595 -3.106 1.00 60.44 H new ATOM 0 HG3 ARG A 100 7.108 7.583 -4.678 1.00 60.44 H new ATOM 0 HD2 ARG A 100 5.622 9.402 -4.051 1.00 21.41 H new ATOM 0 HD3 ARG A 100 6.122 9.309 -2.374 1.00 21.41 H new ATOM 0 HE ARG A 100 8.425 9.793 -3.979 1.00 61.35 H new ATOM 0 HH11 ARG A 100 5.446 11.443 -3.048 1.00 71.13 H new ATOM 0 HH12 ARG A 100 6.196 13.041 -3.093 1.00 71.13 H new ATOM 0 HH21 ARG A 100 9.387 11.827 -3.961 1.00 14.30 H new ATOM 0 HH22 ARG A 100 8.416 13.260 -3.607 1.00 14.30 H new ATOM 1511 N TRP A 101 7.818 5.252 -1.460 1.00 44.22 N ATOM 1512 CA TRP A 101 9.083 4.890 -0.832 1.00 42.30 C ATOM 1513 C TRP A 101 9.205 3.377 -0.601 1.00 23.10 C ATOM 1514 O TRP A 101 10.285 2.818 -0.697 1.00 22.23 O ATOM 1515 CB TRP A 101 9.339 5.703 0.450 1.00 52.13 C ATOM 1516 CG TRP A 101 8.167 5.778 1.378 1.00 41.10 C ATOM 1517 CD1 TRP A 101 7.249 6.782 1.435 1.00 73.42 C ATOM 1518 CD2 TRP A 101 7.782 4.829 2.381 1.00 42.40 C ATOM 1519 NE1 TRP A 101 6.319 6.512 2.394 1.00 21.41 N ATOM 1520 CE2 TRP A 101 6.624 5.322 2.989 1.00 34.22 C ATOM 1521 CE3 TRP A 101 8.300 3.610 2.822 1.00 63.42 C ATOM 1522 CZ2 TRP A 101 5.978 4.644 4.000 1.00 72.03 C ATOM 1523 CZ3 TRP A 101 7.653 2.943 3.828 1.00 31.25 C ATOM 1524 CH2 TRP A 101 6.501 3.461 4.410 1.00 31.33 C ATOM 0 H TRP A 101 7.178 5.766 -0.855 1.00 44.22 H new ATOM 0 HA TRP A 101 9.873 5.156 -1.534 1.00 42.30 H new ATOM 0 HB2 TRP A 101 10.182 5.263 0.983 1.00 52.13 H new ATOM 0 HB3 TRP A 101 9.632 6.715 0.172 1.00 52.13 H new ATOM 0 HD1 TRP A 101 7.257 7.664 0.811 1.00 73.42 H new ATOM 0 HE1 TRP A 101 5.523 7.104 2.629 1.00 21.41 H new ATOM 0 HE3 TRP A 101 9.195 3.200 2.378 1.00 63.42 H new ATOM 0 HZ2 TRP A 101 5.082 5.042 4.453 1.00 72.03 H new ATOM 0 HZ3 TRP A 101 8.044 1.998 4.175 1.00 31.25 H new ATOM 0 HH2 TRP A 101 6.014 2.912 5.202 1.00 31.33 H new ATOM 1535 N LEU A 102 8.075 2.731 -0.332 1.00 23.30 N ATOM 1536 CA LEU A 102 8.020 1.289 -0.060 1.00 63.53 C ATOM 1537 C LEU A 102 8.557 0.433 -1.203 1.00 21.50 C ATOM 1538 O LEU A 102 9.237 -0.563 -0.964 1.00 4.40 O ATOM 1539 CB LEU A 102 6.592 0.869 0.265 1.00 74.41 C ATOM 1540 CG LEU A 102 6.156 0.857 1.721 1.00 11.24 C ATOM 1541 CD1 LEU A 102 4.678 0.606 1.811 1.00 75.02 C ATOM 1542 CD2 LEU A 102 6.877 -0.225 2.474 1.00 23.43 C ATOM 0 H LEU A 102 7.165 3.190 -0.295 1.00 23.30 H new ATOM 0 HA LEU A 102 8.671 1.116 0.797 1.00 63.53 H new ATOM 0 HB2 LEU A 102 5.919 1.533 -0.278 1.00 74.41 H new ATOM 0 HB3 LEU A 102 6.442 -0.134 -0.135 1.00 74.41 H new ATOM 0 HG LEU A 102 6.396 1.826 2.158 1.00 11.24 H new ATOM 0 HD11 LEU A 102 4.373 0.599 2.857 1.00 75.02 H new ATOM 0 HD12 LEU A 102 4.142 1.394 1.282 1.00 75.02 H new ATOM 0 HD13 LEU A 102 4.444 -0.358 1.358 1.00 75.02 H new ATOM 0 HD21 LEU A 102 6.554 -0.221 3.515 1.00 23.43 H new ATOM 0 HD22 LEU A 102 6.649 -1.193 2.027 1.00 23.43 H new ATOM 0 HD23 LEU A 102 7.951 -0.047 2.427 1.00 23.43 H new ATOM 1554 N PHE A 103 8.249 0.796 -2.427 1.00 53.54 N ATOM 1555 CA PHE A 103 8.703 0.012 -3.567 1.00 34.10 C ATOM 1556 C PHE A 103 10.013 0.521 -4.133 1.00 34.42 C ATOM 1557 O PHE A 103 10.554 -0.053 -5.091 1.00 14.40 O ATOM 1558 CB PHE A 103 7.630 -0.100 -4.653 1.00 32.11 C ATOM 1559 CG PHE A 103 6.478 -0.998 -4.279 1.00 21.04 C ATOM 1560 CD1 PHE A 103 5.436 -0.534 -3.506 1.00 54.52 C ATOM 1561 CD2 PHE A 103 6.443 -2.310 -4.711 1.00 33.33 C ATOM 1562 CE1 PHE A 103 4.381 -1.355 -3.168 1.00 44.24 C ATOM 1563 CE2 PHE A 103 5.392 -3.135 -4.379 1.00 43.21 C ATOM 1564 CZ PHE A 103 4.358 -2.653 -3.607 1.00 73.21 C ATOM 0 H PHE A 103 7.693 1.618 -2.664 1.00 53.54 H new ATOM 0 HA PHE A 103 8.889 -0.994 -3.190 1.00 34.10 H new ATOM 0 HB2 PHE A 103 7.245 0.895 -4.875 1.00 32.11 H new ATOM 0 HB3 PHE A 103 8.089 -0.475 -5.567 1.00 32.11 H new ATOM 0 HD1 PHE A 103 5.446 0.489 -3.159 1.00 54.52 H new ATOM 0 HD2 PHE A 103 7.251 -2.693 -5.317 1.00 33.33 H new ATOM 0 HE1 PHE A 103 3.574 -0.976 -2.558 1.00 44.24 H new ATOM 0 HE2 PHE A 103 5.378 -4.159 -4.723 1.00 43.21 H new ATOM 0 HZ PHE A 103 3.531 -3.297 -3.348 1.00 73.21 H new ATOM 1574 N THR A 104 10.508 1.589 -3.569 1.00 22.12 N ATOM 1575 CA THR A 104 11.782 2.125 -3.955 1.00 40.43 C ATOM 1576 C THR A 104 12.891 1.451 -3.111 1.00 51.45 C ATOM 1577 O THR A 104 12.865 1.533 -1.885 1.00 2.00 O ATOM 1578 CB THR A 104 11.811 3.658 -3.768 1.00 54.13 C ATOM 1579 OG1 THR A 104 10.726 4.250 -4.510 1.00 43.32 O ATOM 1580 CG2 THR A 104 13.114 4.237 -4.282 1.00 23.34 C ATOM 0 H THR A 104 10.039 2.111 -2.829 1.00 22.12 H new ATOM 0 HA THR A 104 11.954 1.918 -5.011 1.00 40.43 H new ATOM 0 HB THR A 104 11.715 3.876 -2.704 1.00 54.13 H new ATOM 0 HG1 THR A 104 9.996 4.478 -3.897 1.00 43.32 H new ATOM 0 HG21 THR A 104 13.113 5.318 -4.140 1.00 23.34 H new ATOM 0 HG22 THR A 104 13.948 3.800 -3.733 1.00 23.34 H new ATOM 0 HG23 THR A 104 13.220 4.010 -5.343 1.00 23.34 H new ATOM 1588 N PRO A 105 13.825 0.719 -3.741 1.00 33.24 N ATOM 1589 CA PRO A 105 14.920 0.063 -3.024 1.00 54.13 C ATOM 1590 C PRO A 105 15.918 1.054 -2.405 1.00 75.41 C ATOM 1591 O PRO A 105 16.263 2.090 -3.012 1.00 45.52 O ATOM 1592 CB PRO A 105 15.612 -0.782 -4.105 1.00 74.31 C ATOM 1593 CG PRO A 105 14.649 -0.835 -5.237 1.00 50.23 C ATOM 1594 CD PRO A 105 13.886 0.451 -5.183 1.00 25.22 C ATOM 0 HA PRO A 105 14.545 -0.517 -2.181 1.00 54.13 H new ATOM 0 HB2 PRO A 105 16.556 -0.332 -4.412 1.00 74.31 H new ATOM 0 HB3 PRO A 105 15.841 -1.782 -3.736 1.00 74.31 H new ATOM 0 HG2 PRO A 105 15.170 -0.941 -6.189 1.00 50.23 H new ATOM 0 HG3 PRO A 105 13.981 -1.691 -5.142 1.00 50.23 H new ATOM 0 HD2 PRO A 105 14.395 1.249 -5.724 1.00 25.22 H new ATOM 0 HD3 PRO A 105 12.893 0.353 -5.621 1.00 25.22 H new ATOM 1602 N ASP A 106 16.366 0.744 -1.202 1.00 15.42 N ATOM 1603 CA ASP A 106 17.373 1.552 -0.524 1.00 61.14 C ATOM 1604 C ASP A 106 18.724 0.906 -0.722 1.00 32.32 C ATOM 1605 O ASP A 106 18.928 -0.236 -0.302 1.00 12.34 O ATOM 1606 CB ASP A 106 17.086 1.687 0.975 1.00 43.12 C ATOM 1607 CG ASP A 106 18.151 2.491 1.720 1.00 14.54 C ATOM 1608 OD1 ASP A 106 18.048 3.733 1.796 1.00 54.11 O ATOM 1609 OD2 ASP A 106 19.087 1.904 2.272 1.00 1.34 O ATOM 0 H ASP A 106 16.048 -0.066 -0.669 1.00 15.42 H new ATOM 0 HA ASP A 106 17.354 2.554 -0.953 1.00 61.14 H new ATOM 0 HB2 ASP A 106 16.116 2.166 1.111 1.00 43.12 H new ATOM 0 HB3 ASP A 106 17.015 0.693 1.416 1.00 43.12 H new ATOM 1614 N PRO A 107 19.671 1.623 -1.347 1.00 73.20 N ATOM 1615 CA PRO A 107 21.002 1.081 -1.686 1.00 32.13 C ATOM 1616 C PRO A 107 21.812 0.613 -0.473 1.00 60.20 C ATOM 1617 O PRO A 107 22.695 -0.248 -0.597 1.00 43.44 O ATOM 1618 CB PRO A 107 21.709 2.254 -2.384 1.00 31.22 C ATOM 1619 CG PRO A 107 20.932 3.467 -1.999 1.00 60.00 C ATOM 1620 CD PRO A 107 19.521 3.017 -1.805 1.00 23.23 C ATOM 0 HA PRO A 107 20.907 0.186 -2.302 1.00 32.13 H new ATOM 0 HB2 PRO A 107 22.748 2.334 -2.063 1.00 31.22 H new ATOM 0 HB3 PRO A 107 21.719 2.120 -3.466 1.00 31.22 H new ATOM 0 HG2 PRO A 107 21.328 3.909 -1.085 1.00 60.00 H new ATOM 0 HG3 PRO A 107 20.993 4.230 -2.775 1.00 60.00 H new ATOM 0 HD2 PRO A 107 19.001 3.629 -1.068 1.00 23.23 H new ATOM 0 HD3 PRO A 107 18.948 3.077 -2.731 1.00 23.23 H new ATOM 1628 N SER A 108 21.491 1.138 0.683 1.00 32.42 N ATOM 1629 CA SER A 108 22.215 0.823 1.881 1.00 42.14 C ATOM 1630 C SER A 108 21.442 -0.149 2.782 1.00 20.34 C ATOM 1631 O SER A 108 21.859 -0.437 3.895 1.00 44.24 O ATOM 1632 CB SER A 108 22.559 2.122 2.615 1.00 50.51 C ATOM 1633 OG SER A 108 21.416 2.990 2.691 1.00 30.34 O ATOM 0 H SER A 108 20.721 1.794 0.816 1.00 32.42 H new ATOM 0 HA SER A 108 23.138 0.311 1.608 1.00 42.14 H new ATOM 0 HB2 SER A 108 22.913 1.893 3.620 1.00 50.51 H new ATOM 0 HB3 SER A 108 23.373 2.631 2.098 1.00 50.51 H new ATOM 0 HG SER A 108 20.610 2.456 2.852 1.00 30.34 H new ATOM 1639 N LEU A 109 20.319 -0.638 2.305 1.00 43.54 N ATOM 1640 CA LEU A 109 19.499 -1.541 3.077 1.00 2.35 C ATOM 1641 C LEU A 109 19.649 -2.961 2.551 1.00 24.40 C ATOM 1642 O LEU A 109 19.648 -3.187 1.340 1.00 42.32 O ATOM 1643 CB LEU A 109 18.041 -1.067 3.012 1.00 40.20 C ATOM 1644 CG LEU A 109 16.992 -1.812 3.839 1.00 31.04 C ATOM 1645 CD1 LEU A 109 17.370 -1.850 5.305 1.00 43.32 C ATOM 1646 CD2 LEU A 109 15.642 -1.136 3.671 1.00 61.00 C ATOM 0 H LEU A 109 19.952 -0.422 1.378 1.00 43.54 H new ATOM 0 HA LEU A 109 19.819 -1.542 4.119 1.00 2.35 H new ATOM 0 HB2 LEU A 109 18.019 -0.020 3.315 1.00 40.20 H new ATOM 0 HB3 LEU A 109 17.727 -1.103 1.969 1.00 40.20 H new ATOM 0 HG LEU A 109 16.939 -2.840 3.480 1.00 31.04 H new ATOM 0 HD11 LEU A 109 16.604 -2.386 5.865 1.00 43.32 H new ATOM 0 HD12 LEU A 109 18.327 -2.359 5.421 1.00 43.32 H new ATOM 0 HD13 LEU A 109 17.452 -0.832 5.686 1.00 43.32 H new ATOM 0 HD21 LEU A 109 14.894 -1.666 4.260 1.00 61.00 H new ATOM 0 HD22 LEU A 109 15.707 -0.103 4.013 1.00 61.00 H new ATOM 0 HD23 LEU A 109 15.355 -1.153 2.620 1.00 61.00 H new ATOM 1658 N THR A 110 19.800 -3.894 3.452 1.00 11.31 N ATOM 1659 CA THR A 110 19.938 -5.281 3.108 1.00 55.24 C ATOM 1660 C THR A 110 18.777 -6.044 3.727 1.00 74.04 C ATOM 1661 O THR A 110 18.615 -6.075 4.953 1.00 34.41 O ATOM 1662 CB THR A 110 21.279 -5.849 3.616 1.00 15.34 C ATOM 1663 OG1 THR A 110 22.352 -5.013 3.147 1.00 34.10 O ATOM 1664 CG2 THR A 110 21.494 -7.269 3.101 1.00 1.12 C ATOM 0 H THR A 110 19.831 -3.710 4.455 1.00 11.31 H new ATOM 0 HA THR A 110 19.927 -5.388 2.023 1.00 55.24 H new ATOM 0 HB THR A 110 21.260 -5.869 4.706 1.00 15.34 H new ATOM 0 HG1 THR A 110 23.207 -5.368 3.468 1.00 34.10 H new ATOM 0 HG21 THR A 110 22.446 -7.650 3.471 1.00 1.12 H new ATOM 0 HG22 THR A 110 20.685 -7.910 3.452 1.00 1.12 H new ATOM 0 HG23 THR A 110 21.505 -7.263 2.011 1.00 1.12 H new ATOM 1672 N ILE A 111 17.966 -6.622 2.894 1.00 32.11 N ATOM 1673 CA ILE A 111 16.781 -7.297 3.342 1.00 65.10 C ATOM 1674 C ILE A 111 16.789 -8.715 2.815 1.00 0.02 C ATOM 1675 O ILE A 111 17.362 -8.991 1.774 1.00 71.34 O ATOM 1676 CB ILE A 111 15.510 -6.567 2.821 1.00 23.42 C ATOM 1677 CG1 ILE A 111 15.514 -5.097 3.231 1.00 13.33 C ATOM 1678 CG2 ILE A 111 14.238 -7.237 3.295 1.00 54.40 C ATOM 1679 CD1 ILE A 111 14.331 -4.314 2.715 1.00 64.20 C ATOM 0 H ILE A 111 18.105 -6.640 1.884 1.00 32.11 H new ATOM 0 HA ILE A 111 16.766 -7.299 4.432 1.00 65.10 H new ATOM 0 HB ILE A 111 15.534 -6.628 1.733 1.00 23.42 H new ATOM 0 HG12 ILE A 111 15.532 -5.034 4.319 1.00 13.33 H new ATOM 0 HG13 ILE A 111 16.431 -4.632 2.869 1.00 13.33 H new ATOM 0 HG21 ILE A 111 13.375 -6.695 2.908 1.00 54.40 H new ATOM 0 HG22 ILE A 111 14.212 -8.265 2.934 1.00 54.40 H new ATOM 0 HG23 ILE A 111 14.210 -7.234 4.385 1.00 54.40 H new ATOM 0 HD11 ILE A 111 14.406 -3.279 3.049 1.00 64.20 H new ATOM 0 HD12 ILE A 111 14.322 -4.344 1.625 1.00 64.20 H new ATOM 0 HD13 ILE A 111 13.409 -4.752 3.098 1.00 64.20 H new ATOM 1805 N VAL A 120 19.201 -9.692 -0.038 1.00 72.44 N ATOM 1806 CA VAL A 120 19.215 -8.771 -1.135 1.00 54.02 C ATOM 1807 C VAL A 120 19.706 -7.432 -0.615 1.00 13.51 C ATOM 1808 O VAL A 120 19.109 -6.856 0.302 1.00 44.33 O ATOM 1809 CB VAL A 120 17.790 -8.565 -1.737 1.00 41.21 C ATOM 1810 CG1 VAL A 120 17.835 -7.654 -2.963 1.00 72.15 C ATOM 1811 CG2 VAL A 120 17.133 -9.892 -2.081 1.00 53.30 C ATOM 0 HA VAL A 120 19.862 -9.172 -1.915 1.00 54.02 H new ATOM 0 HB VAL A 120 17.183 -8.079 -0.973 1.00 41.21 H new ATOM 0 HG11 VAL A 120 16.828 -7.529 -3.361 1.00 72.15 H new ATOM 0 HG12 VAL A 120 18.236 -6.681 -2.679 1.00 72.15 H new ATOM 0 HG13 VAL A 120 18.473 -8.101 -3.725 1.00 72.15 H new ATOM 0 HG21 VAL A 120 16.142 -9.710 -2.498 1.00 53.30 H new ATOM 0 HG22 VAL A 120 17.743 -10.421 -2.813 1.00 53.30 H new ATOM 0 HG23 VAL A 120 17.042 -10.497 -1.179 1.00 53.30 H new ATOM 1821 N SER A 121 20.795 -6.978 -1.137 1.00 53.21 N ATOM 1822 CA SER A 121 21.295 -5.683 -0.818 1.00 41.11 C ATOM 1823 C SER A 121 20.682 -4.734 -1.815 1.00 31.22 C ATOM 1824 O SER A 121 20.683 -5.033 -3.020 1.00 52.11 O ATOM 1825 CB SER A 121 22.807 -5.684 -0.902 1.00 22.31 C ATOM 1826 OG SER A 121 23.335 -6.718 -0.080 1.00 33.05 O ATOM 0 H SER A 121 21.368 -7.498 -1.802 1.00 53.21 H new ATOM 0 HA SER A 121 21.036 -5.381 0.197 1.00 41.11 H new ATOM 0 HB2 SER A 121 23.123 -5.831 -1.935 1.00 22.31 H new ATOM 0 HB3 SER A 121 23.199 -4.718 -0.583 1.00 22.31 H new ATOM 0 HG SER A 121 24.313 -6.716 -0.139 1.00 33.05 H new ATOM 1832 N ASN A 122 20.137 -3.640 -1.315 1.00 22.35 N ATOM 1833 CA ASN A 122 19.358 -2.695 -2.098 1.00 31.41 C ATOM 1834 C ASN A 122 17.992 -3.303 -2.354 1.00 12.41 C ATOM 1835 O ASN A 122 17.676 -3.787 -3.444 1.00 33.41 O ATOM 1836 CB ASN A 122 20.075 -2.205 -3.401 1.00 51.34 C ATOM 1837 CG ASN A 122 19.240 -1.256 -4.263 1.00 73.41 C ATOM 1838 OD1 ASN A 122 19.231 -0.053 -4.054 1.00 72.52 O ATOM 1839 ND2 ASN A 122 18.579 -1.786 -5.262 1.00 40.12 N ATOM 0 H ASN A 122 20.225 -3.377 -0.333 1.00 22.35 H new ATOM 0 HA ASN A 122 19.242 -1.776 -1.523 1.00 31.41 H new ATOM 0 HB2 ASN A 122 21.002 -1.704 -3.124 1.00 51.34 H new ATOM 0 HB3 ASN A 122 20.349 -3.074 -3.999 1.00 51.34 H new ATOM 0 HD21 ASN A 122 18.039 -1.190 -5.889 1.00 40.12 H new ATOM 0 HD22 ASN A 122 18.605 -2.794 -5.413 1.00 40.12 H new ATOM 1846 N ALA A 123 17.231 -3.408 -1.291 1.00 14.31 N ATOM 1847 CA ALA A 123 15.922 -3.950 -1.372 1.00 45.44 C ATOM 1848 C ALA A 123 14.914 -2.898 -0.973 1.00 61.30 C ATOM 1849 O ALA A 123 15.275 -1.861 -0.382 1.00 1.41 O ATOM 1850 CB ALA A 123 15.817 -5.184 -0.499 1.00 65.23 C ATOM 0 H ALA A 123 17.513 -3.117 -0.355 1.00 14.31 H new ATOM 0 HA ALA A 123 15.710 -4.252 -2.398 1.00 45.44 H new ATOM 0 HB1 ALA A 123 14.809 -5.593 -0.567 1.00 65.23 H new ATOM 0 HB2 ALA A 123 16.536 -5.931 -0.837 1.00 65.23 H new ATOM 0 HB3 ALA A 123 16.031 -4.917 0.536 1.00 65.23 H new ATOM 1856 N ARG A 124 13.685 -3.143 -1.311 1.00 22.44 N ATOM 1857 CA ARG A 124 12.605 -2.226 -1.036 1.00 72.35 C ATOM 1858 C ARG A 124 12.029 -2.510 0.354 1.00 4.34 C ATOM 1859 O ARG A 124 11.919 -3.674 0.754 1.00 13.33 O ATOM 1860 CB ARG A 124 11.519 -2.381 -2.108 1.00 10.23 C ATOM 1861 CG ARG A 124 10.869 -3.750 -2.116 1.00 74.10 C ATOM 1862 CD ARG A 124 9.919 -3.918 -3.258 1.00 21.12 C ATOM 1863 NE ARG A 124 9.366 -5.262 -3.292 1.00 63.12 N ATOM 1864 CZ ARG A 124 8.626 -5.760 -4.274 1.00 73.41 C ATOM 1865 NH1 ARG A 124 8.376 -5.036 -5.365 1.00 64.50 N ATOM 1866 NH2 ARG A 124 8.172 -7.003 -4.176 1.00 3.24 N ATOM 0 H ARG A 124 13.393 -3.994 -1.792 1.00 22.44 H new ATOM 0 HA ARG A 124 12.978 -1.202 -1.056 1.00 72.35 H new ATOM 0 HB2 ARG A 124 10.751 -1.624 -1.948 1.00 10.23 H new ATOM 0 HB3 ARG A 124 11.957 -2.190 -3.088 1.00 10.23 H new ATOM 0 HG2 ARG A 124 11.642 -4.517 -2.173 1.00 74.10 H new ATOM 0 HG3 ARG A 124 10.337 -3.903 -1.177 1.00 74.10 H new ATOM 0 HD2 ARG A 124 9.111 -3.192 -3.171 1.00 21.12 H new ATOM 0 HD3 ARG A 124 10.434 -3.711 -4.196 1.00 21.12 H new ATOM 0 HE ARG A 124 9.563 -5.871 -2.497 1.00 63.12 H new ATOM 0 HH11 ARG A 124 8.755 -4.093 -5.449 1.00 64.50 H new ATOM 0 HH12 ARG A 124 7.806 -5.425 -6.116 1.00 64.50 H new ATOM 0 HH21 ARG A 124 8.393 -7.563 -3.353 1.00 3.24 H new ATOM 0 HH22 ARG A 124 7.602 -7.398 -4.924 1.00 3.24 H new ATOM 1880 N PRO A 125 11.664 -1.466 1.119 1.00 51.22 N ATOM 1881 CA PRO A 125 11.081 -1.619 2.463 1.00 72.41 C ATOM 1882 C PRO A 125 9.810 -2.526 2.511 1.00 75.22 C ATOM 1883 O PRO A 125 9.432 -3.001 3.582 1.00 24.35 O ATOM 1884 CB PRO A 125 10.766 -0.181 2.887 1.00 24.44 C ATOM 1885 CG PRO A 125 11.702 0.658 2.095 1.00 23.44 C ATOM 1886 CD PRO A 125 11.851 -0.036 0.773 1.00 20.03 C ATOM 0 HA PRO A 125 11.772 -2.131 3.133 1.00 72.41 H new ATOM 0 HB2 PRO A 125 9.728 0.076 2.676 1.00 24.44 H new ATOM 0 HB3 PRO A 125 10.918 -0.041 3.957 1.00 24.44 H new ATOM 0 HG2 PRO A 125 11.310 1.667 1.966 1.00 23.44 H new ATOM 0 HG3 PRO A 125 12.664 0.753 2.598 1.00 23.44 H new ATOM 0 HD2 PRO A 125 11.107 0.305 0.053 1.00 20.03 H new ATOM 0 HD3 PRO A 125 12.830 0.147 0.330 1.00 20.03 H new ATOM 1894 N VAL A 126 9.159 -2.764 1.359 1.00 4.52 N ATOM 1895 CA VAL A 126 8.029 -3.723 1.300 1.00 53.03 C ATOM 1896 C VAL A 126 8.518 -5.110 1.698 1.00 42.40 C ATOM 1897 O VAL A 126 7.886 -5.812 2.491 1.00 3.11 O ATOM 1898 CB VAL A 126 7.384 -3.830 -0.115 1.00 41.22 C ATOM 1899 CG1 VAL A 126 6.297 -4.888 -0.129 1.00 64.33 C ATOM 1900 CG2 VAL A 126 6.797 -2.524 -0.544 1.00 44.21 C ATOM 0 H VAL A 126 9.385 -2.318 0.470 1.00 4.52 H new ATOM 0 HA VAL A 126 7.271 -3.346 1.987 1.00 53.03 H new ATOM 0 HB VAL A 126 8.175 -4.109 -0.811 1.00 41.22 H new ATOM 0 HG11 VAL A 126 5.859 -4.947 -1.126 1.00 64.33 H new ATOM 0 HG12 VAL A 126 6.726 -5.854 0.137 1.00 64.33 H new ATOM 0 HG13 VAL A 126 5.523 -4.624 0.592 1.00 64.33 H new ATOM 0 HG21 VAL A 126 6.355 -2.632 -1.535 1.00 44.21 H new ATOM 0 HG22 VAL A 126 6.027 -2.220 0.166 1.00 44.21 H new ATOM 0 HG23 VAL A 126 7.580 -1.766 -0.576 1.00 44.21 H new ATOM 1910 N ASP A 127 9.678 -5.464 1.189 1.00 63.23 N ATOM 1911 CA ASP A 127 10.272 -6.764 1.446 1.00 54.45 C ATOM 1912 C ASP A 127 10.598 -6.890 2.909 1.00 44.33 C ATOM 1913 O ASP A 127 10.529 -7.966 3.474 1.00 12.44 O ATOM 1914 CB ASP A 127 11.529 -7.005 0.586 1.00 71.40 C ATOM 1915 CG ASP A 127 11.243 -7.209 -0.898 1.00 61.24 C ATOM 1916 OD1 ASP A 127 10.122 -6.923 -1.370 1.00 24.34 O ATOM 1917 OD2 ASP A 127 12.153 -7.653 -1.630 1.00 14.13 O ATOM 0 H ASP A 127 10.238 -4.862 0.586 1.00 63.23 H new ATOM 0 HA ASP A 127 9.546 -7.528 1.169 1.00 54.45 H new ATOM 0 HB2 ASP A 127 12.202 -6.156 0.701 1.00 71.40 H new ATOM 0 HB3 ASP A 127 12.053 -7.881 0.967 1.00 71.40 H new ATOM 1922 N ALA A 128 10.911 -5.761 3.528 1.00 35.41 N ATOM 1923 CA ALA A 128 11.201 -5.710 4.941 1.00 24.04 C ATOM 1924 C ALA A 128 9.957 -6.059 5.757 1.00 61.41 C ATOM 1925 O ALA A 128 10.009 -6.928 6.606 1.00 43.32 O ATOM 1926 CB ALA A 128 11.741 -4.343 5.339 1.00 73.12 C ATOM 0 H ALA A 128 10.969 -4.857 3.058 1.00 35.41 H new ATOM 0 HA ALA A 128 11.972 -6.450 5.155 1.00 24.04 H new ATOM 0 HB1 ALA A 128 11.951 -4.332 6.409 1.00 73.12 H new ATOM 0 HB2 ALA A 128 12.658 -4.139 4.787 1.00 73.12 H new ATOM 0 HB3 ALA A 128 11.000 -3.578 5.107 1.00 73.12 H new ATOM 1932 N LEU A 129 8.828 -5.417 5.468 1.00 60.24 N ATOM 1933 CA LEU A 129 7.588 -5.671 6.229 1.00 30.04 C ATOM 1934 C LEU A 129 7.119 -7.106 6.038 1.00 21.25 C ATOM 1935 O LEU A 129 6.677 -7.761 6.984 1.00 23.23 O ATOM 1936 CB LEU A 129 6.478 -4.631 5.885 1.00 14.22 C ATOM 1937 CG LEU A 129 5.945 -4.612 4.448 1.00 2.31 C ATOM 1938 CD1 LEU A 129 4.824 -5.620 4.256 1.00 52.32 C ATOM 1939 CD2 LEU A 129 5.511 -3.224 4.034 1.00 20.21 C ATOM 0 H LEU A 129 8.736 -4.725 4.725 1.00 60.24 H new ATOM 0 HA LEU A 129 7.810 -5.543 7.288 1.00 30.04 H new ATOM 0 HB2 LEU A 129 5.635 -4.805 6.554 1.00 14.22 H new ATOM 0 HB3 LEU A 129 6.866 -3.638 6.113 1.00 14.22 H new ATOM 0 HG LEU A 129 6.767 -4.906 3.795 1.00 2.31 H new ATOM 0 HD11 LEU A 129 4.470 -5.579 3.226 1.00 52.32 H new ATOM 0 HD12 LEU A 129 5.195 -6.622 4.473 1.00 52.32 H new ATOM 0 HD13 LEU A 129 4.002 -5.383 4.931 1.00 52.32 H new ATOM 0 HD21 LEU A 129 5.139 -3.249 3.010 1.00 20.21 H new ATOM 0 HD22 LEU A 129 4.720 -2.877 4.699 1.00 20.21 H new ATOM 0 HD23 LEU A 129 6.361 -2.544 4.095 1.00 20.21 H new ATOM 1951 N HIS A 130 7.303 -7.605 4.831 1.00 30.52 N ATOM 1952 CA HIS A 130 6.927 -8.956 4.465 1.00 61.44 C ATOM 1953 C HIS A 130 7.838 -9.958 5.192 1.00 32.53 C ATOM 1954 O HIS A 130 7.457 -11.098 5.460 1.00 20.11 O ATOM 1955 CB HIS A 130 7.032 -9.095 2.925 1.00 63.41 C ATOM 1956 CG HIS A 130 6.636 -10.427 2.351 1.00 23.21 C ATOM 1957 ND1 HIS A 130 5.354 -10.753 1.964 1.00 51.34 N ATOM 1958 CD2 HIS A 130 7.394 -11.511 2.066 1.00 34.01 C ATOM 1959 CE1 HIS A 130 5.367 -11.984 1.472 1.00 52.42 C ATOM 1960 NE2 HIS A 130 6.588 -12.499 1.509 1.00 35.40 N ATOM 0 H HIS A 130 7.724 -7.076 4.067 1.00 30.52 H new ATOM 0 HA HIS A 130 5.901 -9.169 4.764 1.00 61.44 H new ATOM 0 HB2 HIS A 130 6.409 -8.326 2.468 1.00 63.41 H new ATOM 0 HB3 HIS A 130 8.061 -8.888 2.631 1.00 63.41 H new ATOM 0 HD1 HIS A 130 4.535 -10.150 2.043 1.00 51.34 H new ATOM 0 HD2 HIS A 130 8.456 -11.596 2.243 1.00 34.01 H new ATOM 0 HE1 HIS A 130 4.498 -12.499 1.091 1.00 52.42 H new ATOM 1968 N ALA A 131 9.015 -9.494 5.549 1.00 75.35 N ATOM 1969 CA ALA A 131 10.014 -10.326 6.207 1.00 2.13 C ATOM 1970 C ALA A 131 10.100 -10.073 7.704 1.00 33.42 C ATOM 1971 O ALA A 131 11.049 -10.541 8.350 1.00 41.15 O ATOM 1972 CB ALA A 131 11.370 -10.130 5.568 1.00 5.03 C ATOM 0 H ALA A 131 9.312 -8.531 5.394 1.00 75.35 H new ATOM 0 HA ALA A 131 9.695 -11.360 6.076 1.00 2.13 H new ATOM 0 HB1 ALA A 131 12.104 -10.759 6.072 1.00 5.03 H new ATOM 0 HB2 ALA A 131 11.319 -10.405 4.514 1.00 5.03 H new ATOM 0 HB3 ALA A 131 11.666 -9.085 5.656 1.00 5.03 H new ATOM 1978 N HIS A 132 9.110 -9.354 8.251 1.00 53.34 N ATOM 1979 CA HIS A 132 9.013 -9.059 9.707 1.00 2.51 C ATOM 1980 C HIS A 132 10.130 -8.057 10.148 1.00 44.25 C ATOM 1981 O HIS A 132 10.523 -7.974 11.303 1.00 51.40 O ATOM 1982 CB HIS A 132 9.040 -10.399 10.521 1.00 53.24 C ATOM 1983 CG HIS A 132 8.824 -10.276 12.005 1.00 41.12 C ATOM 1984 ND1 HIS A 132 9.803 -10.518 12.946 1.00 53.12 N ATOM 1985 CD2 HIS A 132 7.707 -9.965 12.702 1.00 54.34 C ATOM 1986 CE1 HIS A 132 9.267 -10.355 14.151 1.00 0.03 C ATOM 1987 NE2 HIS A 132 7.990 -10.013 14.063 1.00 73.50 N ATOM 0 H HIS A 132 8.347 -8.955 7.704 1.00 53.34 H new ATOM 0 HA HIS A 132 8.063 -8.568 9.918 1.00 2.51 H new ATOM 0 HB2 HIS A 132 8.275 -11.062 10.117 1.00 53.24 H new ATOM 0 HB3 HIS A 132 10.002 -10.883 10.353 1.00 53.24 H new ATOM 0 HD2 HIS A 132 6.748 -9.719 12.270 1.00 54.34 H new ATOM 0 HE1 HIS A 132 9.802 -10.484 15.080 1.00 0.03 H new ATOM 0 HE2 HIS A 132 7.348 -9.824 14.833 1.00 73.50 H new ATOM 1995 N GLN A 133 10.547 -7.244 9.217 1.00 51.32 N ATOM 1996 CA GLN A 133 11.531 -6.184 9.438 1.00 5.23 C ATOM 1997 C GLN A 133 10.814 -4.834 9.455 1.00 63.43 C ATOM 1998 O GLN A 133 11.409 -3.776 9.224 1.00 24.31 O ATOM 1999 CB GLN A 133 12.618 -6.224 8.363 1.00 42.00 C ATOM 2000 CG GLN A 133 13.500 -7.456 8.438 1.00 34.13 C ATOM 2001 CD GLN A 133 14.533 -7.518 7.330 1.00 4.54 C ATOM 2002 OE1 GLN A 133 14.983 -6.497 6.813 1.00 23.40 O ATOM 2003 NE2 GLN A 133 14.931 -8.710 6.981 1.00 3.33 N ATOM 0 H GLN A 133 10.212 -7.289 8.255 1.00 51.32 H new ATOM 0 HA GLN A 133 12.022 -6.335 10.399 1.00 5.23 H new ATOM 0 HB2 GLN A 133 12.148 -6.183 7.381 1.00 42.00 H new ATOM 0 HB3 GLN A 133 13.241 -5.335 8.455 1.00 42.00 H new ATOM 0 HG2 GLN A 133 14.009 -7.473 9.402 1.00 34.13 H new ATOM 0 HG3 GLN A 133 12.874 -8.347 8.393 1.00 34.13 H new ATOM 0 HE21 GLN A 133 14.534 -9.533 7.434 1.00 3.33 H new ATOM 0 HE22 GLN A 133 15.640 -8.819 6.256 1.00 3.33 H new ATOM 2012 N ALA A 134 9.523 -4.904 9.775 1.00 14.52 N ATOM 2013 CA ALA A 134 8.590 -3.778 9.790 1.00 10.31 C ATOM 2014 C ALA A 134 9.070 -2.587 10.629 1.00 63.30 C ATOM 2015 O ALA A 134 8.715 -1.453 10.329 1.00 34.13 O ATOM 2016 CB ALA A 134 7.215 -4.232 10.234 1.00 34.10 C ATOM 0 H ALA A 134 9.080 -5.783 10.042 1.00 14.52 H new ATOM 0 HA ALA A 134 8.537 -3.415 8.764 1.00 10.31 H new ATOM 0 HB1 ALA A 134 6.535 -3.380 10.239 1.00 34.10 H new ATOM 0 HB2 ALA A 134 6.842 -4.990 9.545 1.00 34.10 H new ATOM 0 HB3 ALA A 134 7.277 -4.652 11.238 1.00 34.10 H new ATOM 2022 N ARG A 135 9.869 -2.838 11.670 1.00 23.24 N ATOM 2023 CA ARG A 135 10.422 -1.748 12.500 1.00 71.31 C ATOM 2024 C ARG A 135 11.212 -0.753 11.636 1.00 35.44 C ATOM 2025 O ARG A 135 11.099 0.469 11.811 1.00 33.20 O ATOM 2026 CB ARG A 135 11.336 -2.282 13.605 1.00 34.00 C ATOM 2027 CG ARG A 135 10.654 -3.095 14.691 1.00 42.23 C ATOM 2028 CD ARG A 135 11.682 -3.631 15.684 1.00 71.45 C ATOM 2029 NE ARG A 135 11.056 -4.387 16.771 1.00 40.33 N ATOM 2030 CZ ARG A 135 11.694 -4.943 17.811 1.00 4.33 C ATOM 2031 NH1 ARG A 135 13.025 -4.934 17.884 1.00 21.45 N ATOM 2032 NH2 ARG A 135 10.987 -5.532 18.767 1.00 1.20 N ATOM 0 H ARG A 135 10.149 -3.775 11.961 1.00 23.24 H new ATOM 0 HA ARG A 135 9.574 -1.243 12.962 1.00 71.31 H new ATOM 0 HB2 ARG A 135 12.108 -2.900 13.145 1.00 34.00 H new ATOM 0 HB3 ARG A 135 11.841 -1.437 14.073 1.00 34.00 H new ATOM 0 HG2 ARG A 135 9.924 -2.476 15.213 1.00 42.23 H new ATOM 0 HG3 ARG A 135 10.106 -3.924 14.243 1.00 42.23 H new ATOM 0 HD2 ARG A 135 12.392 -4.271 15.160 1.00 71.45 H new ATOM 0 HD3 ARG A 135 12.250 -2.800 16.101 1.00 71.45 H new ATOM 0 HE ARG A 135 10.043 -4.501 16.733 1.00 40.33 H new ATOM 0 HH11 ARG A 135 13.574 -4.500 17.142 1.00 21.45 H new ATOM 0 HH12 ARG A 135 13.495 -5.361 18.682 1.00 21.45 H new ATOM 0 HH21 ARG A 135 9.969 -5.558 18.706 1.00 1.20 H new ATOM 0 HH22 ARG A 135 11.461 -5.958 19.563 1.00 1.20 H new ATOM 2046 N GLU A 136 11.967 -1.269 10.677 1.00 15.40 N ATOM 2047 CA GLU A 136 12.743 -0.421 9.780 1.00 70.24 C ATOM 2048 C GLU A 136 11.844 0.282 8.787 1.00 74.32 C ATOM 2049 O GLU A 136 12.169 1.354 8.291 1.00 43.20 O ATOM 2050 CB GLU A 136 13.839 -1.205 9.072 1.00 33.22 C ATOM 2051 CG GLU A 136 14.952 -1.632 10.000 1.00 22.20 C ATOM 2052 CD GLU A 136 15.630 -0.448 10.651 1.00 43.12 C ATOM 2053 OE1 GLU A 136 16.533 0.139 10.039 1.00 1.53 O ATOM 2054 OE2 GLU A 136 15.273 -0.091 11.786 1.00 61.24 O ATOM 0 H GLU A 136 12.060 -2.269 10.499 1.00 15.40 H new ATOM 0 HA GLU A 136 13.232 0.339 10.389 1.00 70.24 H new ATOM 0 HB2 GLU A 136 13.403 -2.088 8.606 1.00 33.22 H new ATOM 0 HB3 GLU A 136 14.255 -0.594 8.271 1.00 33.22 H new ATOM 0 HG2 GLU A 136 14.550 -2.289 10.771 1.00 22.20 H new ATOM 0 HG3 GLU A 136 15.688 -2.210 9.442 1.00 22.20 H new ATOM 2061 N VAL A 137 10.698 -0.308 8.532 1.00 62.52 N ATOM 2062 CA VAL A 137 9.710 0.289 7.662 1.00 35.21 C ATOM 2063 C VAL A 137 9.102 1.492 8.375 1.00 53.42 C ATOM 2064 O VAL A 137 8.944 2.545 7.788 1.00 31.04 O ATOM 2065 CB VAL A 137 8.613 -0.731 7.267 1.00 21.44 C ATOM 2066 CG1 VAL A 137 7.578 -0.110 6.339 1.00 31.51 C ATOM 2067 CG2 VAL A 137 9.251 -1.937 6.609 1.00 0.01 C ATOM 0 H VAL A 137 10.425 -1.211 8.920 1.00 62.52 H new ATOM 0 HA VAL A 137 10.190 0.610 6.738 1.00 35.21 H new ATOM 0 HB VAL A 137 8.096 -1.042 8.175 1.00 21.44 H new ATOM 0 HG11 VAL A 137 6.825 -0.855 6.083 1.00 31.51 H new ATOM 0 HG12 VAL A 137 7.100 0.732 6.839 1.00 31.51 H new ATOM 0 HG13 VAL A 137 8.067 0.238 5.429 1.00 31.51 H new ATOM 0 HG21 VAL A 137 8.477 -2.653 6.332 1.00 0.01 H new ATOM 0 HG22 VAL A 137 9.790 -1.622 5.715 1.00 0.01 H new ATOM 0 HG23 VAL A 137 9.946 -2.406 7.305 1.00 0.01 H new ATOM 2077 N VAL A 138 8.828 1.327 9.667 1.00 4.33 N ATOM 2078 CA VAL A 138 8.332 2.417 10.511 1.00 2.21 C ATOM 2079 C VAL A 138 9.395 3.524 10.594 1.00 41.31 C ATOM 2080 O VAL A 138 9.086 4.711 10.503 1.00 2.34 O ATOM 2081 CB VAL A 138 7.969 1.922 11.947 1.00 70.31 C ATOM 2082 CG1 VAL A 138 7.477 3.073 12.824 1.00 21.33 C ATOM 2083 CG2 VAL A 138 6.914 0.825 11.886 1.00 5.41 C ATOM 0 H VAL A 138 8.942 0.440 10.158 1.00 4.33 H new ATOM 0 HA VAL A 138 7.421 2.806 10.057 1.00 2.21 H new ATOM 0 HB VAL A 138 8.876 1.516 12.395 1.00 70.31 H new ATOM 0 HG11 VAL A 138 7.233 2.695 13.817 1.00 21.33 H new ATOM 0 HG12 VAL A 138 8.259 3.828 12.905 1.00 21.33 H new ATOM 0 HG13 VAL A 138 6.588 3.518 12.376 1.00 21.33 H new ATOM 0 HG21 VAL A 138 6.675 0.494 12.896 1.00 5.41 H new ATOM 0 HG22 VAL A 138 6.014 1.212 11.408 1.00 5.41 H new ATOM 0 HG23 VAL A 138 7.297 -0.017 11.309 1.00 5.41 H new ATOM 2093 N ARG A 139 10.643 3.109 10.747 1.00 51.53 N ATOM 2094 CA ARG A 139 11.784 4.025 10.799 1.00 30.43 C ATOM 2095 C ARG A 139 11.857 4.835 9.497 1.00 70.01 C ATOM 2096 O ARG A 139 11.976 6.062 9.511 1.00 74.32 O ATOM 2097 CB ARG A 139 13.065 3.210 10.990 1.00 72.24 C ATOM 2098 CG ARG A 139 14.335 4.019 11.176 1.00 74.12 C ATOM 2099 CD ARG A 139 15.527 3.089 11.316 1.00 44.13 C ATOM 2100 NE ARG A 139 16.781 3.796 11.567 1.00 35.24 N ATOM 2101 CZ ARG A 139 18.002 3.235 11.495 1.00 63.42 C ATOM 2102 NH1 ARG A 139 18.154 1.972 11.094 1.00 21.50 N ATOM 2103 NH2 ARG A 139 19.076 3.944 11.809 1.00 2.22 N ATOM 0 H ARG A 139 10.899 2.126 10.839 1.00 51.53 H new ATOM 0 HA ARG A 139 11.668 4.718 11.633 1.00 30.43 H new ATOM 0 HB2 ARG A 139 12.937 2.564 11.858 1.00 72.24 H new ATOM 0 HB3 ARG A 139 13.193 2.560 10.125 1.00 72.24 H new ATOM 0 HG2 ARG A 139 14.480 4.684 10.325 1.00 74.12 H new ATOM 0 HG3 ARG A 139 14.249 4.649 12.062 1.00 74.12 H new ATOM 0 HD2 ARG A 139 15.341 2.391 12.132 1.00 44.13 H new ATOM 0 HD3 ARG A 139 15.627 2.497 10.406 1.00 44.13 H new ATOM 0 HE ARG A 139 16.727 4.784 11.814 1.00 35.24 H new ATOM 0 HH11 ARG A 139 17.338 1.417 10.837 1.00 21.50 H new ATOM 0 HH12 ARG A 139 19.086 1.561 11.045 1.00 21.50 H new ATOM 0 HH21 ARG A 139 18.977 4.915 12.105 1.00 2.22 H new ATOM 0 HH22 ARG A 139 20.002 3.519 11.754 1.00 2.22 H new ATOM 2117 N ARG A 140 11.735 4.131 8.384 1.00 31.03 N ATOM 2118 CA ARG A 140 11.755 4.731 7.059 1.00 23.22 C ATOM 2119 C ARG A 140 10.544 5.654 6.883 1.00 54.14 C ATOM 2120 O ARG A 140 10.655 6.732 6.317 1.00 63.40 O ATOM 2121 CB ARG A 140 11.747 3.624 5.994 1.00 73.02 C ATOM 2122 CG ARG A 140 11.934 4.094 4.556 1.00 52.14 C ATOM 2123 CD ARG A 140 13.275 4.793 4.357 1.00 32.55 C ATOM 2124 NE ARG A 140 14.423 3.957 4.778 1.00 34.44 N ATOM 2125 CZ ARG A 140 15.578 3.832 4.105 1.00 24.40 C ATOM 2126 NH1 ARG A 140 15.727 4.409 2.918 1.00 34.33 N ATOM 2127 NH2 ARG A 140 16.580 3.112 4.629 1.00 44.31 N ATOM 0 H ARG A 140 11.618 3.118 8.374 1.00 31.03 H new ATOM 0 HA ARG A 140 12.661 5.326 6.944 1.00 23.22 H new ATOM 0 HB2 ARG A 140 12.537 2.911 6.230 1.00 73.02 H new ATOM 0 HB3 ARG A 140 10.802 3.086 6.062 1.00 73.02 H new ATOM 0 HG2 ARG A 140 11.866 3.239 3.883 1.00 52.14 H new ATOM 0 HG3 ARG A 140 11.126 4.775 4.288 1.00 52.14 H new ATOM 0 HD2 ARG A 140 13.390 5.058 3.306 1.00 32.55 H new ATOM 0 HD3 ARG A 140 13.282 5.725 4.923 1.00 32.55 H new ATOM 0 HE ARG A 140 14.328 3.434 5.649 1.00 34.44 H new ATOM 0 HH11 ARG A 140 14.962 4.950 2.514 1.00 34.33 H new ATOM 0 HH12 ARG A 140 16.606 4.311 2.410 1.00 34.33 H new ATOM 0 HH21 ARG A 140 16.464 2.661 5.536 1.00 44.31 H new ATOM 0 HH22 ARG A 140 17.459 3.015 4.120 1.00 44.31 H new ATOM 2141 N ALA A 141 9.410 5.213 7.398 1.00 44.44 N ATOM 2142 CA ALA A 141 8.166 5.963 7.362 1.00 12.42 C ATOM 2143 C ALA A 141 8.324 7.305 8.056 1.00 72.14 C ATOM 2144 O ALA A 141 7.931 8.340 7.517 1.00 71.12 O ATOM 2145 CB ALA A 141 7.075 5.164 8.037 1.00 61.43 C ATOM 0 H ALA A 141 9.326 4.308 7.861 1.00 44.44 H new ATOM 0 HA ALA A 141 7.899 6.144 6.321 1.00 12.42 H new ATOM 0 HB1 ALA A 141 6.142 5.727 8.010 1.00 61.43 H new ATOM 0 HB2 ALA A 141 6.942 4.216 7.515 1.00 61.43 H new ATOM 0 HB3 ALA A 141 7.353 4.972 9.073 1.00 61.43 H new ATOM 2151 N GLN A 142 8.927 7.287 9.236 1.00 23.15 N ATOM 2152 CA GLN A 142 9.169 8.509 9.985 1.00 45.03 C ATOM 2153 C GLN A 142 10.118 9.410 9.226 1.00 20.35 C ATOM 2154 O GLN A 142 9.918 10.605 9.164 1.00 11.33 O ATOM 2155 CB GLN A 142 9.732 8.222 11.363 1.00 55.10 C ATOM 2156 CG GLN A 142 8.799 7.465 12.282 1.00 22.25 C ATOM 2157 CD GLN A 142 9.423 7.245 13.634 1.00 35.25 C ATOM 2158 OE1 GLN A 142 10.643 7.137 13.752 1.00 52.33 O ATOM 2159 NE2 GLN A 142 8.621 7.162 14.651 1.00 74.12 N ATOM 0 H GLN A 142 9.258 6.438 9.695 1.00 23.15 H new ATOM 0 HA GLN A 142 8.209 9.010 10.110 1.00 45.03 H new ATOM 0 HB2 GLN A 142 10.654 7.651 11.252 1.00 55.10 H new ATOM 0 HB3 GLN A 142 9.998 9.167 11.836 1.00 55.10 H new ATOM 0 HG2 GLN A 142 7.867 8.019 12.395 1.00 22.25 H new ATOM 0 HG3 GLN A 142 8.546 6.504 11.835 1.00 22.25 H new ATOM 0 HE21 GLN A 142 7.614 7.256 14.516 1.00 74.12 H new ATOM 0 HE22 GLN A 142 8.997 7.002 15.586 1.00 74.12 H new ATOM 2168 N ALA A 143 11.113 8.811 8.598 1.00 41.41 N ATOM 2169 CA ALA A 143 12.091 9.546 7.811 1.00 2.20 C ATOM 2170 C ALA A 143 11.439 10.210 6.587 1.00 43.42 C ATOM 2171 O ALA A 143 11.991 11.145 6.006 1.00 70.54 O ATOM 2172 CB ALA A 143 13.231 8.629 7.388 1.00 40.24 C ATOM 0 H ALA A 143 11.267 7.803 8.618 1.00 41.41 H new ATOM 0 HA ALA A 143 12.500 10.339 8.437 1.00 2.20 H new ATOM 0 HB1 ALA A 143 13.954 9.195 6.800 1.00 40.24 H new ATOM 0 HB2 ALA A 143 13.721 8.225 8.274 1.00 40.24 H new ATOM 0 HB3 ALA A 143 12.835 7.810 6.787 1.00 40.24 H new ATOM 2178 N MET A 144 10.289 9.704 6.180 1.00 14.21 N ATOM 2179 CA MET A 144 9.553 10.285 5.069 1.00 40.21 C ATOM 2180 C MET A 144 8.531 11.310 5.565 1.00 14.40 C ATOM 2181 O MET A 144 8.098 12.186 4.818 1.00 10.01 O ATOM 2182 CB MET A 144 8.861 9.207 4.224 1.00 43.22 C ATOM 2183 CG MET A 144 9.800 8.124 3.702 1.00 4.42 C ATOM 2184 SD MET A 144 11.243 8.770 2.819 1.00 53.20 S ATOM 2185 CE MET A 144 10.468 9.617 1.445 1.00 1.05 C ATOM 0 H MET A 144 9.843 8.890 6.603 1.00 14.21 H new ATOM 0 HA MET A 144 10.277 10.796 4.434 1.00 40.21 H new ATOM 0 HB2 MET A 144 8.080 8.738 4.822 1.00 43.22 H new ATOM 0 HB3 MET A 144 8.369 9.685 3.377 1.00 43.22 H new ATOM 0 HG2 MET A 144 10.141 7.517 4.541 1.00 4.42 H new ATOM 0 HG3 MET A 144 9.244 7.464 3.036 1.00 4.42 H new ATOM 0 HE1 MET A 144 11.234 9.958 0.749 1.00 1.05 H new ATOM 0 HE2 MET A 144 9.790 8.935 0.933 1.00 1.05 H new ATOM 0 HE3 MET A 144 9.908 10.475 1.816 1.00 1.05 H new ATOM 2195 N ALA A 145 8.137 11.196 6.816 1.00 64.20 N ATOM 2196 CA ALA A 145 7.171 12.120 7.399 1.00 32.23 C ATOM 2197 C ALA A 145 7.870 13.319 8.026 1.00 53.23 C ATOM 2198 O ALA A 145 7.291 14.407 8.138 1.00 44.55 O ATOM 2199 CB ALA A 145 6.287 11.415 8.421 1.00 5.24 C ATOM 0 H ALA A 145 8.468 10.473 7.455 1.00 64.20 H new ATOM 0 HA ALA A 145 6.533 12.484 6.594 1.00 32.23 H new ATOM 0 HB1 ALA A 145 5.576 12.127 8.840 1.00 5.24 H new ATOM 0 HB2 ALA A 145 5.745 10.604 7.935 1.00 5.24 H new ATOM 0 HB3 ALA A 145 6.907 11.009 9.220 1.00 5.24 H new ATOM 2205 N TYR A 146 9.088 13.110 8.456 1.00 52.01 N ATOM 2206 CA TYR A 146 9.881 14.156 9.030 1.00 3.04 C ATOM 2207 C TYR A 146 11.150 14.293 8.202 1.00 34.31 C ATOM 2208 O TYR A 146 11.062 14.810 7.062 1.00 37.77 O ATOM 2209 CB TYR A 146 10.218 13.831 10.500 1.00 61.20 C ATOM 2210 CG TYR A 146 9.004 13.507 11.360 1.00 51.23 C ATOM 2211 CD1 TYR A 146 8.148 14.505 11.806 1.00 51.35 C ATOM 2212 CD2 TYR A 146 8.712 12.194 11.710 1.00 73.11 C ATOM 2213 CE1 TYR A 146 7.040 14.203 12.578 1.00 30.03 C ATOM 2214 CE2 TYR A 146 7.610 11.884 12.475 1.00 14.51 C ATOM 2215 CZ TYR A 146 6.777 12.891 12.909 1.00 13.03 C ATOM 2216 OH TYR A 146 5.665 12.579 13.675 1.00 43.42 O ATOM 2217 OXT TYR A 146 12.237 13.866 8.657 1.00 37.77 O ATOM 0 H TYR A 146 9.556 12.204 8.416 1.00 52.01 H new ATOM 0 HA TYR A 146 9.330 15.096 9.021 1.00 3.04 H new ATOM 0 HB2 TYR A 146 10.904 12.984 10.525 1.00 61.20 H new ATOM 0 HB3 TYR A 146 10.743 14.680 10.937 1.00 61.20 H new ATOM 0 HD1 TYR A 146 8.350 15.534 11.546 1.00 51.35 H new ATOM 0 HD2 TYR A 146 9.363 11.400 11.375 1.00 73.11 H new ATOM 0 HE1 TYR A 146 6.385 14.991 12.919 1.00 30.03 H new ATOM 0 HE2 TYR A 146 7.400 10.857 12.733 1.00 14.51 H new ATOM 0 HH TYR A 146 5.626 11.610 13.816 1.00 43.42 H new