USER MOD reduce.3.24.130724 H: found=0, std=0, add=803, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 803 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 46 ASN : amide:sc= -2.26 K(o=-2.9,f=-1.3) USER MOD Set 1.2: A 56 TYR OH : rot 180:sc= -0.594 USER MOD Set 2.1: A 28 ASN : amide:sc= 0.62 K(o=0.57,f=-1) USER MOD Set 2.2: A 29 THR OG1 : rot -140:sc= -0.326 USER MOD Set 2.3: A 32 THR OG1 : rot 137:sc= 0.272 USER MOD Single : A 19 SER OG : rot -50:sc= -1.5 USER MOD Single : A 26 CYS SG : rot -62:sc= 1.21 USER MOD Single : A 27 GLN : amide:sc= -1.13 X(o=-1.1,f=-1.6) USER MOD Single : A 37 SER OG : rot -85:sc= 1.18 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot 71:sc= 0.107 USER MOD Single : A 43 TYR OH : rot 180:sc= -1.8! USER MOD Single : A 50 ASN : amide:sc= -0.332 X(o=-0.33,f=-0.8) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 159:sc= 1.13 (180deg=0.638) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 63 ASN : amide:sc= -0.235 X(o=-0.23,f=-0.23) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0.121 USER MOD Single : A 67 SER OG : rot -58:sc= 0.0118 USER MOD Single : A 68 THR OG1 : rot -17:sc= -0.4 USER MOD Single : A 79 CYS SG : rot 159:sc= -3.46! USER MOD Single : A 83 MET CE :methyl -154:sc= -5.61! (180deg=-8.94!) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 HIS : no HE2:sc= -0.446 K(o=-0.45,f=-4.2!) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ -138:sc= -0.168 (180deg=-1.83!) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 102 GLN : amide:sc= -3.48! C(o=-3.5!,f=-2.2!) USER MOD Single : A 104 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 SER OG : rot 180:sc= 0.0702 USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 201 N ALA A 18 11.537 -8.383 1.166 1.00 41.13 N ATOM 202 CA ALA A 18 11.450 -7.133 1.910 1.00 2.33 C ATOM 203 C ALA A 18 10.017 -6.616 1.950 1.00 22.10 C ATOM 204 O ALA A 18 9.108 -7.232 1.392 1.00 1.22 O ATOM 205 CB ALA A 18 12.373 -6.089 1.300 1.00 4.25 C ATOM 0 HA ALA A 18 11.767 -7.327 2.935 1.00 2.33 H new ATOM 0 HB1 ALA A 18 12.297 -5.161 1.866 1.00 4.25 H new ATOM 0 HB2 ALA A 18 13.401 -6.450 1.331 1.00 4.25 H new ATOM 0 HB3 ALA A 18 12.083 -5.907 0.265 1.00 4.25 H new ATOM 211 N SER A 19 9.819 -5.482 2.614 1.00 44.24 N ATOM 212 CA SER A 19 8.494 -4.883 2.730 1.00 24.41 C ATOM 213 C SER A 19 7.576 -5.759 3.575 1.00 12.33 C ATOM 214 O SER A 19 6.689 -6.446 3.067 1.00 74.21 O ATOM 215 CB SER A 19 7.884 -4.674 1.343 1.00 52.14 C ATOM 216 OG SER A 19 8.832 -4.124 0.446 1.00 41.23 O ATOM 0 H SER A 19 10.560 -4.959 3.080 1.00 44.24 H new ATOM 0 HA SER A 19 8.600 -3.916 3.222 1.00 24.41 H new ATOM 0 HB2 SER A 19 7.521 -5.626 0.955 1.00 52.14 H new ATOM 0 HB3 SER A 19 7.022 -4.011 1.418 1.00 52.14 H new ATOM 0 HG SER A 19 9.256 -3.342 0.857 1.00 41.23 H new ATOM 222 N PRO A 20 7.792 -5.736 4.899 1.00 14.25 N ATOM 223 CA PRO A 20 6.993 -6.522 5.846 1.00 42.23 C ATOM 224 C PRO A 20 5.565 -6.002 5.970 1.00 14.03 C ATOM 225 O PRO A 20 4.695 -6.677 6.519 1.00 31.22 O ATOM 226 CB PRO A 20 7.741 -6.350 7.169 1.00 5.52 C ATOM 227 CG PRO A 20 8.468 -5.056 7.030 1.00 25.32 C ATOM 228 CD PRO A 20 8.830 -4.941 5.574 1.00 51.52 C ATOM 0 HA PRO A 20 6.891 -7.560 5.530 1.00 42.23 H new ATOM 0 HB2 PRO A 20 7.052 -6.328 8.013 1.00 5.52 H new ATOM 0 HB3 PRO A 20 8.432 -7.175 7.343 1.00 5.52 H new ATOM 0 HG2 PRO A 20 7.842 -4.221 7.344 1.00 25.32 H new ATOM 0 HG3 PRO A 20 9.360 -5.040 7.657 1.00 25.32 H new ATOM 0 HD2 PRO A 20 8.823 -3.904 5.239 1.00 51.52 H new ATOM 0 HD3 PRO A 20 9.828 -5.333 5.376 1.00 51.52 H new ATOM 236 N ALA A 21 5.331 -4.798 5.457 1.00 33.23 N ATOM 237 CA ALA A 21 4.007 -4.190 5.508 1.00 2.13 C ATOM 238 C ALA A 21 3.014 -4.962 4.646 1.00 34.25 C ATOM 239 O ALA A 21 1.907 -5.272 5.084 1.00 54.31 O ATOM 240 CB ALA A 21 4.076 -2.737 5.065 1.00 23.22 C ATOM 0 H ALA A 21 6.041 -4.225 5.002 1.00 33.23 H new ATOM 0 HA ALA A 21 3.657 -4.227 6.540 1.00 2.13 H new ATOM 0 HB1 ALA A 21 3.080 -2.296 5.108 1.00 23.22 H new ATOM 0 HB2 ALA A 21 4.746 -2.187 5.726 1.00 23.22 H new ATOM 0 HB3 ALA A 21 4.452 -2.686 4.043 1.00 23.22 H new ATOM 246 N VAL A 22 3.418 -5.271 3.418 1.00 62.12 N ATOM 247 CA VAL A 22 2.563 -6.006 2.493 1.00 13.45 C ATOM 248 C VAL A 22 2.364 -7.445 2.958 1.00 12.25 C ATOM 249 O VAL A 22 1.280 -8.010 2.813 1.00 73.02 O ATOM 250 CB VAL A 22 3.151 -6.014 1.071 1.00 10.04 C ATOM 251 CG1 VAL A 22 2.848 -4.705 0.360 1.00 23.33 C ATOM 252 CG2 VAL A 22 4.650 -6.272 1.115 1.00 75.03 C ATOM 0 H VAL A 22 4.333 -5.024 3.040 1.00 62.12 H new ATOM 0 HA VAL A 22 1.600 -5.495 2.476 1.00 13.45 H new ATOM 0 HB VAL A 22 2.683 -6.822 0.508 1.00 10.04 H new ATOM 0 HG11 VAL A 22 3.272 -4.730 -0.644 1.00 23.33 H new ATOM 0 HG12 VAL A 22 1.769 -4.568 0.295 1.00 23.33 H new ATOM 0 HG13 VAL A 22 3.286 -3.878 0.918 1.00 23.33 H new ATOM 0 HG21 VAL A 22 5.049 -6.274 0.101 1.00 75.03 H new ATOM 0 HG22 VAL A 22 5.137 -5.488 1.695 1.00 75.03 H new ATOM 0 HG23 VAL A 22 4.839 -7.239 1.581 1.00 75.03 H new ATOM 262 N ALA A 23 3.416 -8.031 3.519 1.00 33.12 N ATOM 263 CA ALA A 23 3.355 -9.404 4.007 1.00 51.45 C ATOM 264 C ALA A 23 2.262 -9.565 5.057 1.00 75.12 C ATOM 265 O ALA A 23 1.513 -10.540 5.040 1.00 35.33 O ATOM 266 CB ALA A 23 4.704 -9.821 4.577 1.00 54.34 C ATOM 0 H ALA A 23 4.321 -7.577 3.647 1.00 33.12 H new ATOM 0 HA ALA A 23 3.112 -10.053 3.166 1.00 51.45 H new ATOM 0 HB1 ALA A 23 4.645 -10.848 4.938 1.00 54.34 H new ATOM 0 HB2 ALA A 23 5.464 -9.753 3.799 1.00 54.34 H new ATOM 0 HB3 ALA A 23 4.970 -9.161 5.403 1.00 54.34 H new ATOM 272 N GLU A 24 2.178 -8.603 5.970 1.00 40.34 N ATOM 273 CA GLU A 24 1.175 -8.640 7.029 1.00 4.33 C ATOM 274 C GLU A 24 -0.220 -8.392 6.466 1.00 11.11 C ATOM 275 O GLU A 24 -1.210 -8.921 6.974 1.00 41.54 O ATOM 276 CB GLU A 24 1.497 -7.598 8.102 1.00 53.53 C ATOM 277 CG GLU A 24 1.973 -8.201 9.413 1.00 72.22 C ATOM 278 CD GLU A 24 2.869 -7.261 10.197 1.00 73.15 C ATOM 279 OE1 GLU A 24 2.449 -6.111 10.443 1.00 14.32 O ATOM 280 OE2 GLU A 24 3.988 -7.676 10.564 1.00 73.03 O ATOM 0 H GLU A 24 2.792 -7.789 5.998 1.00 40.34 H new ATOM 0 HA GLU A 24 1.195 -9.633 7.479 1.00 4.33 H new ATOM 0 HB2 GLU A 24 2.264 -6.923 7.722 1.00 53.53 H new ATOM 0 HB3 GLU A 24 0.608 -6.996 8.290 1.00 53.53 H new ATOM 0 HG2 GLU A 24 1.108 -8.465 10.022 1.00 72.22 H new ATOM 0 HG3 GLU A 24 2.513 -9.125 9.208 1.00 72.22 H new ATOM 287 N LEU A 25 -0.293 -7.585 5.414 1.00 13.34 N ATOM 288 CA LEU A 25 -1.569 -7.264 4.781 1.00 25.12 C ATOM 289 C LEU A 25 -2.153 -8.491 4.085 1.00 3.23 C ATOM 290 O LEU A 25 -3.331 -8.805 4.248 1.00 35.33 O ATOM 291 CB LEU A 25 -1.388 -6.129 3.772 1.00 63.23 C ATOM 292 CG LEU A 25 -1.736 -4.727 4.271 1.00 43.11 C ATOM 293 CD1 LEU A 25 -3.239 -4.498 4.217 1.00 73.55 C ATOM 294 CD2 LEU A 25 -1.214 -4.520 5.686 1.00 70.14 C ATOM 0 H LEU A 25 0.516 -7.140 4.980 1.00 13.34 H new ATOM 0 HA LEU A 25 -2.263 -6.944 5.558 1.00 25.12 H new ATOM 0 HB2 LEU A 25 -0.350 -6.127 3.439 1.00 63.23 H new ATOM 0 HB3 LEU A 25 -2.003 -6.345 2.898 1.00 63.23 H new ATOM 0 HG LEU A 25 -1.255 -4.000 3.617 1.00 43.11 H new ATOM 0 HD11 LEU A 25 -3.467 -3.495 4.576 1.00 73.55 H new ATOM 0 HD12 LEU A 25 -3.586 -4.603 3.189 1.00 73.55 H new ATOM 0 HD13 LEU A 25 -3.742 -5.232 4.847 1.00 73.55 H new ATOM 0 HD21 LEU A 25 -1.471 -3.516 6.025 1.00 70.14 H new ATOM 0 HD22 LEU A 25 -1.666 -5.255 6.352 1.00 70.14 H new ATOM 0 HD23 LEU A 25 -0.131 -4.640 5.695 1.00 70.14 H new ATOM 306 N CYS A 26 -1.320 -9.178 3.312 1.00 20.35 N ATOM 307 CA CYS A 26 -1.753 -10.371 2.592 1.00 33.31 C ATOM 308 C CYS A 26 -2.334 -11.404 3.553 1.00 31.41 C ATOM 309 O CYS A 26 -3.086 -12.289 3.146 1.00 23.04 O ATOM 310 CB CYS A 26 -0.584 -10.977 1.818 1.00 25.34 C ATOM 311 SG CYS A 26 0.369 -12.198 2.754 1.00 32.14 S ATOM 0 H CYS A 26 -0.341 -8.930 3.167 1.00 20.35 H new ATOM 0 HA CYS A 26 -2.532 -10.078 1.888 1.00 33.31 H new ATOM 0 HB2 CYS A 26 -0.967 -11.448 0.912 1.00 25.34 H new ATOM 0 HB3 CYS A 26 0.084 -10.175 1.503 1.00 25.34 H new ATOM 0 HG CYS A 26 0.909 -11.626 3.789 1.00 32.14 H new ATOM 317 N GLN A 27 -1.979 -11.285 4.829 1.00 71.42 N ATOM 318 CA GLN A 27 -2.463 -12.210 5.846 1.00 73.21 C ATOM 319 C GLN A 27 -3.986 -12.201 5.909 1.00 21.30 C ATOM 320 O GLN A 27 -4.603 -13.143 6.404 1.00 5.54 O ATOM 321 CB GLN A 27 -1.882 -11.847 7.214 1.00 52.02 C ATOM 322 CG GLN A 27 -0.365 -11.753 7.224 1.00 1.54 C ATOM 323 CD GLN A 27 0.202 -11.633 8.625 1.00 45.43 C ATOM 324 OE1 GLN A 27 -0.458 -11.126 9.532 1.00 42.31 O ATOM 325 NE2 GLN A 27 1.433 -12.098 8.808 1.00 73.52 N ATOM 0 H GLN A 27 -1.358 -10.557 5.182 1.00 71.42 H new ATOM 0 HA GLN A 27 -2.135 -13.213 5.574 1.00 73.21 H new ATOM 0 HB2 GLN A 27 -2.299 -10.893 7.535 1.00 52.02 H new ATOM 0 HB3 GLN A 27 -2.196 -12.594 7.943 1.00 52.02 H new ATOM 0 HG2 GLN A 27 0.053 -12.636 6.741 1.00 1.54 H new ATOM 0 HG3 GLN A 27 -0.054 -10.890 6.635 1.00 1.54 H new ATOM 0 HE21 GLN A 27 1.944 -12.511 8.027 1.00 73.52 H new ATOM 0 HE22 GLN A 27 1.867 -12.043 9.729 1.00 73.52 H new ATOM 334 N ASN A 28 -4.589 -11.130 5.402 1.00 52.40 N ATOM 335 CA ASN A 28 -6.041 -10.998 5.404 1.00 73.15 C ATOM 336 C ASN A 28 -6.647 -11.645 4.162 1.00 3.44 C ATOM 337 O ASN A 28 -7.537 -12.491 4.259 1.00 2.34 O ATOM 338 CB ASN A 28 -6.440 -9.522 5.467 1.00 42.10 C ATOM 339 CG ASN A 28 -7.844 -9.324 6.004 1.00 33.44 C ATOM 340 OD1 ASN A 28 -8.050 -9.220 7.213 1.00 35.32 O ATOM 341 ND2 ASN A 28 -8.819 -9.274 5.105 1.00 51.02 N ATOM 0 H ASN A 28 -4.094 -10.342 4.985 1.00 52.40 H new ATOM 0 HA ASN A 28 -6.426 -11.510 6.286 1.00 73.15 H new ATOM 0 HB2 ASN A 28 -5.733 -8.984 6.099 1.00 42.10 H new ATOM 0 HB3 ASN A 28 -6.371 -9.087 4.470 1.00 42.10 H new ATOM 0 HD21 ASN A 28 -9.785 -9.145 5.407 1.00 51.02 H new ATOM 0 HD22 ASN A 28 -8.603 -9.365 4.112 1.00 51.02 H new ATOM 348 N THR A 29 -6.157 -11.244 2.993 1.00 24.14 N ATOM 349 CA THR A 29 -6.649 -11.784 1.732 1.00 31.11 C ATOM 350 C THR A 29 -5.816 -11.284 0.557 1.00 31.12 C ATOM 351 O THR A 29 -5.263 -10.185 0.581 1.00 12.15 O ATOM 352 CB THR A 29 -8.124 -11.410 1.499 1.00 65.52 C ATOM 353 OG1 THR A 29 -8.557 -10.480 2.497 1.00 74.41 O ATOM 354 CG2 THR A 29 -9.009 -12.647 1.531 1.00 21.10 C ATOM 0 H THR A 29 -5.419 -10.547 2.894 1.00 24.14 H new ATOM 0 HA THR A 29 -6.564 -12.869 1.797 1.00 31.11 H new ATOM 0 HB THR A 29 -8.208 -10.950 0.514 1.00 65.52 H new ATOM 0 HG1 THR A 29 -9.469 -10.702 2.777 1.00 74.41 H new ATOM 0 HG21 THR A 29 -10.046 -12.357 1.364 1.00 21.10 H new ATOM 0 HG22 THR A 29 -8.695 -13.339 0.749 1.00 21.10 H new ATOM 0 HG23 THR A 29 -8.920 -13.133 2.503 1.00 21.10 H new ATOM 362 N PRO A 30 -5.724 -12.107 -0.498 1.00 35.43 N ATOM 363 CA PRO A 30 -4.962 -11.769 -1.703 1.00 3.24 C ATOM 364 C PRO A 30 -5.617 -10.653 -2.508 1.00 51.55 C ATOM 365 O PRO A 30 -4.974 -9.656 -2.840 1.00 63.12 O ATOM 366 CB PRO A 30 -4.962 -13.075 -2.501 1.00 52.31 C ATOM 367 CG PRO A 30 -6.180 -13.799 -2.043 1.00 31.43 C ATOM 368 CD PRO A 30 -6.358 -13.433 -0.595 1.00 3.12 C ATOM 0 HA PRO A 30 -3.965 -11.400 -1.464 1.00 3.24 H new ATOM 0 HB2 PRO A 30 -4.995 -12.884 -3.574 1.00 52.31 H new ATOM 0 HB3 PRO A 30 -4.060 -13.656 -2.309 1.00 52.31 H new ATOM 0 HG2 PRO A 30 -7.051 -13.507 -2.629 1.00 31.43 H new ATOM 0 HG3 PRO A 30 -6.062 -14.876 -2.162 1.00 31.43 H new ATOM 0 HD2 PRO A 30 -7.411 -13.396 -0.316 1.00 3.12 H new ATOM 0 HD3 PRO A 30 -5.879 -14.157 0.064 1.00 3.12 H new ATOM 376 N GLU A 31 -6.898 -10.823 -2.818 1.00 30.24 N ATOM 377 CA GLU A 31 -7.638 -9.830 -3.584 1.00 50.35 C ATOM 378 C GLU A 31 -7.834 -8.552 -2.773 1.00 64.31 C ATOM 379 O GLU A 31 -7.783 -7.445 -3.312 1.00 4.05 O ATOM 380 CB GLU A 31 -8.998 -10.389 -4.010 1.00 51.32 C ATOM 381 CG GLU A 31 -9.775 -9.464 -4.932 1.00 0.12 C ATOM 382 CD GLU A 31 -9.750 -9.925 -6.376 1.00 63.32 C ATOM 383 OE1 GLU A 31 -8.798 -10.640 -6.755 1.00 1.01 O ATOM 384 OE2 GLU A 31 -10.681 -9.570 -7.128 1.00 11.30 O ATOM 0 H GLU A 31 -7.445 -11.641 -2.549 1.00 30.24 H new ATOM 0 HA GLU A 31 -7.057 -9.590 -4.474 1.00 50.35 H new ATOM 0 HB2 GLU A 31 -8.847 -11.345 -4.511 1.00 51.32 H new ATOM 0 HB3 GLU A 31 -9.595 -10.586 -3.120 1.00 51.32 H new ATOM 0 HG2 GLU A 31 -10.809 -9.402 -4.592 1.00 0.12 H new ATOM 0 HG3 GLU A 31 -9.358 -8.459 -4.868 1.00 0.12 H new ATOM 391 N THR A 32 -8.059 -8.712 -1.473 1.00 44.03 N ATOM 392 CA THR A 32 -8.263 -7.573 -0.586 1.00 71.44 C ATOM 393 C THR A 32 -6.971 -6.785 -0.396 1.00 14.01 C ATOM 394 O THR A 32 -6.982 -5.555 -0.358 1.00 1.12 O ATOM 395 CB THR A 32 -8.787 -8.020 0.791 1.00 20.33 C ATOM 396 OG1 THR A 32 -9.972 -8.808 0.632 1.00 54.31 O ATOM 397 CG2 THR A 32 -9.084 -6.818 1.673 1.00 52.34 C ATOM 0 H THR A 32 -8.105 -9.620 -1.010 1.00 44.03 H new ATOM 0 HA THR A 32 -9.008 -6.934 -1.059 1.00 71.44 H new ATOM 0 HB THR A 32 -8.015 -8.620 1.272 1.00 20.33 H new ATOM 0 HG1 THR A 32 -9.933 -9.582 1.232 1.00 54.31 H new ATOM 0 HG21 THR A 32 -9.453 -7.159 2.640 1.00 52.34 H new ATOM 0 HG22 THR A 32 -8.173 -6.238 1.816 1.00 52.34 H new ATOM 0 HG23 THR A 32 -9.840 -6.194 1.196 1.00 52.34 H new ATOM 405 N PHE A 33 -5.858 -7.503 -0.276 1.00 53.25 N ATOM 406 CA PHE A 33 -4.558 -6.871 -0.090 1.00 53.31 C ATOM 407 C PHE A 33 -4.149 -6.088 -1.334 1.00 72.40 C ATOM 408 O PHE A 33 -3.591 -4.994 -1.238 1.00 32.13 O ATOM 409 CB PHE A 33 -3.497 -7.925 0.235 1.00 70.01 C ATOM 410 CG PHE A 33 -2.103 -7.502 -0.127 1.00 2.44 C ATOM 411 CD1 PHE A 33 -1.573 -6.319 0.363 1.00 22.41 C ATOM 412 CD2 PHE A 33 -1.320 -8.288 -0.957 1.00 60.13 C ATOM 413 CE1 PHE A 33 -0.290 -5.928 0.031 1.00 45.44 C ATOM 414 CE2 PHE A 33 -0.036 -7.902 -1.293 1.00 4.22 C ATOM 415 CZ PHE A 33 0.480 -6.721 -0.797 1.00 73.42 C ATOM 0 H PHE A 33 -5.831 -8.522 -0.304 1.00 53.25 H new ATOM 0 HA PHE A 33 -4.637 -6.175 0.745 1.00 53.31 H new ATOM 0 HB2 PHE A 33 -3.535 -8.151 1.301 1.00 70.01 H new ATOM 0 HB3 PHE A 33 -3.738 -8.847 -0.295 1.00 70.01 H new ATOM 0 HD1 PHE A 33 -2.170 -5.695 1.012 1.00 22.41 H new ATOM 0 HD2 PHE A 33 -1.718 -9.214 -1.346 1.00 60.13 H new ATOM 0 HE1 PHE A 33 0.110 -5.003 0.419 1.00 45.44 H new ATOM 0 HE2 PHE A 33 0.563 -8.523 -1.943 1.00 4.22 H new ATOM 0 HZ PHE A 33 1.484 -6.418 -1.056 1.00 73.42 H new ATOM 425 N LEU A 34 -4.431 -6.656 -2.502 1.00 11.34 N ATOM 426 CA LEU A 34 -4.093 -6.013 -3.766 1.00 73.45 C ATOM 427 C LEU A 34 -4.790 -4.661 -3.893 1.00 20.42 C ATOM 428 O LEU A 34 -4.165 -3.662 -4.245 1.00 61.21 O ATOM 429 CB LEU A 34 -4.484 -6.913 -4.939 1.00 24.40 C ATOM 430 CG LEU A 34 -3.389 -7.182 -5.973 1.00 53.21 C ATOM 431 CD1 LEU A 34 -2.812 -5.874 -6.491 1.00 41.22 C ATOM 432 CD2 LEU A 34 -2.293 -8.051 -5.375 1.00 51.20 C ATOM 0 H LEU A 34 -4.893 -7.560 -2.599 1.00 11.34 H new ATOM 0 HA LEU A 34 -3.016 -5.849 -3.785 1.00 73.45 H new ATOM 0 HB2 LEU A 34 -4.822 -7.869 -4.540 1.00 24.40 H new ATOM 0 HB3 LEU A 34 -5.335 -6.462 -5.449 1.00 24.40 H new ATOM 0 HG LEU A 34 -3.832 -7.718 -6.813 1.00 53.21 H new ATOM 0 HD11 LEU A 34 -2.035 -6.085 -7.225 1.00 41.22 H new ATOM 0 HD12 LEU A 34 -3.603 -5.287 -6.958 1.00 41.22 H new ATOM 0 HD13 LEU A 34 -2.384 -5.311 -5.661 1.00 41.22 H new ATOM 0 HD21 LEU A 34 -1.523 -8.232 -6.125 1.00 51.20 H new ATOM 0 HD22 LEU A 34 -1.852 -7.542 -4.518 1.00 51.20 H new ATOM 0 HD23 LEU A 34 -2.717 -9.002 -5.054 1.00 51.20 H new ATOM 444 N GLU A 35 -6.087 -4.640 -3.602 1.00 61.11 N ATOM 445 CA GLU A 35 -6.867 -3.412 -3.683 1.00 44.11 C ATOM 446 C GLU A 35 -6.543 -2.482 -2.516 1.00 22.42 C ATOM 447 O GLU A 35 -6.352 -1.282 -2.701 1.00 13.52 O ATOM 448 CB GLU A 35 -8.363 -3.730 -3.694 1.00 35.41 C ATOM 449 CG GLU A 35 -9.036 -3.451 -5.028 1.00 54.34 C ATOM 450 CD GLU A 35 -8.278 -4.044 -6.200 1.00 54.35 C ATOM 451 OE1 GLU A 35 -8.320 -5.279 -6.370 1.00 4.42 O ATOM 452 OE2 GLU A 35 -7.644 -3.269 -6.946 1.00 45.44 O ATOM 0 H GLU A 35 -6.619 -5.459 -3.308 1.00 61.11 H new ATOM 0 HA GLU A 35 -6.603 -2.907 -4.612 1.00 44.11 H new ATOM 0 HB2 GLU A 35 -8.504 -4.780 -3.438 1.00 35.41 H new ATOM 0 HB3 GLU A 35 -8.856 -3.144 -2.918 1.00 35.41 H new ATOM 0 HG2 GLU A 35 -10.048 -3.857 -5.012 1.00 54.34 H new ATOM 0 HG3 GLU A 35 -9.127 -2.374 -5.167 1.00 54.34 H new ATOM 459 N ALA A 36 -6.483 -3.051 -1.316 1.00 65.15 N ATOM 460 CA ALA A 36 -6.180 -2.275 -0.119 1.00 23.13 C ATOM 461 C ALA A 36 -4.798 -1.638 -0.212 1.00 30.31 C ATOM 462 O ALA A 36 -4.565 -0.553 0.321 1.00 75.20 O ATOM 463 CB ALA A 36 -6.275 -3.155 1.117 1.00 10.43 C ATOM 0 H ALA A 36 -6.640 -4.045 -1.147 1.00 65.15 H new ATOM 0 HA ALA A 36 -6.915 -1.474 -0.040 1.00 23.13 H new ATOM 0 HB1 ALA A 36 -6.046 -2.563 2.003 1.00 10.43 H new ATOM 0 HB2 ALA A 36 -7.284 -3.558 1.200 1.00 10.43 H new ATOM 0 HB3 ALA A 36 -5.562 -3.976 1.035 1.00 10.43 H new ATOM 469 N SER A 37 -3.882 -2.320 -0.894 1.00 4.50 N ATOM 470 CA SER A 37 -2.521 -1.823 -1.053 1.00 44.05 C ATOM 471 C SER A 37 -2.442 -0.808 -2.190 1.00 74.14 C ATOM 472 O SER A 37 -1.741 0.199 -2.092 1.00 44.43 O ATOM 473 CB SER A 37 -1.559 -2.981 -1.322 1.00 63.43 C ATOM 474 OG SER A 37 -1.841 -3.597 -2.568 1.00 5.42 O ATOM 0 H SER A 37 -4.059 -3.218 -1.345 1.00 4.50 H new ATOM 0 HA SER A 37 -2.232 -1.328 -0.126 1.00 44.05 H new ATOM 0 HB2 SER A 37 -0.533 -2.614 -1.318 1.00 63.43 H new ATOM 0 HB3 SER A 37 -1.638 -3.717 -0.522 1.00 63.43 H new ATOM 0 HG SER A 37 -2.543 -4.270 -2.449 1.00 5.42 H new ATOM 480 N LYS A 38 -3.169 -1.080 -3.268 1.00 54.24 N ATOM 481 CA LYS A 38 -3.184 -0.192 -4.425 1.00 74.55 C ATOM 482 C LYS A 38 -3.546 1.232 -4.012 1.00 65.12 C ATOM 483 O LYS A 38 -2.909 2.195 -4.445 1.00 14.34 O ATOM 484 CB LYS A 38 -4.182 -0.699 -5.470 1.00 41.13 C ATOM 485 CG LYS A 38 -3.965 -0.110 -6.852 1.00 24.51 C ATOM 486 CD LYS A 38 -5.114 -0.449 -7.787 1.00 62.15 C ATOM 487 CE LYS A 38 -4.851 -1.737 -8.552 1.00 41.24 C ATOM 488 NZ LYS A 38 -5.620 -1.794 -9.826 1.00 1.33 N ATOM 0 H LYS A 38 -3.756 -1.909 -3.365 1.00 54.24 H new ATOM 0 HA LYS A 38 -2.184 -0.184 -4.859 1.00 74.55 H new ATOM 0 HB2 LYS A 38 -4.111 -1.785 -5.532 1.00 41.13 H new ATOM 0 HB3 LYS A 38 -5.193 -0.464 -5.139 1.00 41.13 H new ATOM 0 HG2 LYS A 38 -3.864 0.973 -6.776 1.00 24.51 H new ATOM 0 HG3 LYS A 38 -3.032 -0.489 -7.268 1.00 24.51 H new ATOM 0 HD2 LYS A 38 -6.035 -0.548 -7.212 1.00 62.15 H new ATOM 0 HD3 LYS A 38 -5.264 0.369 -8.491 1.00 62.15 H new ATOM 0 HE2 LYS A 38 -3.786 -1.820 -8.767 1.00 41.24 H new ATOM 0 HE3 LYS A 38 -5.118 -2.590 -7.929 1.00 41.24 H new ATOM 0 HZ1 LYS A 38 -5.413 -2.687 -10.317 1.00 1.33 H new ATOM 0 HZ2 LYS A 38 -6.638 -1.740 -9.620 1.00 1.33 H new ATOM 0 HZ3 LYS A 38 -5.347 -0.994 -10.432 1.00 1.33 H new ATOM 502 N LEU A 39 -4.569 1.359 -3.175 1.00 52.43 N ATOM 503 CA LEU A 39 -5.013 2.666 -2.703 1.00 51.40 C ATOM 504 C LEU A 39 -3.888 3.392 -1.972 1.00 40.53 C ATOM 505 O LEU A 39 -3.629 4.570 -2.224 1.00 22.14 O ATOM 506 CB LEU A 39 -6.221 2.513 -1.778 1.00 21.33 C ATOM 507 CG LEU A 39 -7.436 1.801 -2.373 1.00 64.42 C ATOM 508 CD1 LEU A 39 -7.976 0.761 -1.404 1.00 35.20 C ATOM 509 CD2 LEU A 39 -8.519 2.808 -2.736 1.00 35.34 C ATOM 0 H LEU A 39 -5.107 0.573 -2.809 1.00 52.43 H new ATOM 0 HA LEU A 39 -5.300 3.259 -3.571 1.00 51.40 H new ATOM 0 HB2 LEU A 39 -5.905 1.968 -0.888 1.00 21.33 H new ATOM 0 HB3 LEU A 39 -6.531 3.505 -1.451 1.00 21.33 H new ATOM 0 HG LEU A 39 -7.122 1.289 -3.283 1.00 64.42 H new ATOM 0 HD11 LEU A 39 -8.840 0.266 -1.846 1.00 35.20 H new ATOM 0 HD12 LEU A 39 -7.202 0.022 -1.195 1.00 35.20 H new ATOM 0 HD13 LEU A 39 -8.273 1.248 -0.475 1.00 35.20 H new ATOM 0 HD21 LEU A 39 -9.376 2.284 -3.158 1.00 35.34 H new ATOM 0 HD22 LEU A 39 -8.828 3.348 -1.841 1.00 35.34 H new ATOM 0 HD23 LEU A 39 -8.128 3.514 -3.469 1.00 35.34 H new ATOM 521 N LEU A 40 -3.222 2.683 -1.068 1.00 34.24 N ATOM 522 CA LEU A 40 -2.123 3.259 -0.302 1.00 4.12 C ATOM 523 C LEU A 40 -1.004 3.730 -1.225 1.00 63.15 C ATOM 524 O LEU A 40 -0.387 4.771 -0.990 1.00 22.32 O ATOM 525 CB LEU A 40 -1.579 2.235 0.696 1.00 1.03 C ATOM 526 CG LEU A 40 -2.617 1.535 1.573 1.00 62.10 C ATOM 527 CD1 LEU A 40 -2.094 0.187 2.046 1.00 33.43 C ATOM 528 CD2 LEU A 40 -2.992 2.410 2.760 1.00 63.32 C ATOM 0 H LEU A 40 -3.424 1.708 -0.847 1.00 34.24 H new ATOM 0 HA LEU A 40 -2.506 4.121 0.244 1.00 4.12 H new ATOM 0 HB2 LEU A 40 -1.029 1.474 0.142 1.00 1.03 H new ATOM 0 HB3 LEU A 40 -0.862 2.737 1.346 1.00 1.03 H new ATOM 0 HG LEU A 40 -3.513 1.365 0.976 1.00 62.10 H new ATOM 0 HD11 LEU A 40 -2.846 -0.297 2.669 1.00 33.43 H new ATOM 0 HD12 LEU A 40 -1.878 -0.443 1.183 1.00 33.43 H new ATOM 0 HD13 LEU A 40 -1.183 0.333 2.626 1.00 33.43 H new ATOM 0 HD21 LEU A 40 -3.732 1.895 3.372 1.00 63.32 H new ATOM 0 HD22 LEU A 40 -2.103 2.612 3.358 1.00 63.32 H new ATOM 0 HD23 LEU A 40 -3.410 3.351 2.401 1.00 63.32 H new ATOM 540 N LEU A 41 -0.748 2.961 -2.276 1.00 64.01 N ATOM 541 CA LEU A 41 0.295 3.301 -3.238 1.00 41.23 C ATOM 542 C LEU A 41 -0.050 4.587 -3.984 1.00 1.02 C ATOM 543 O LEU A 41 0.808 5.446 -4.192 1.00 54.21 O ATOM 544 CB LEU A 41 0.491 2.157 -4.234 1.00 23.33 C ATOM 545 CG LEU A 41 1.932 1.882 -4.667 1.00 54.33 C ATOM 546 CD1 LEU A 41 2.485 3.059 -5.456 1.00 41.13 C ATOM 547 CD2 LEU A 41 2.806 1.591 -3.456 1.00 42.44 C ATOM 0 H LEU A 41 -1.248 2.097 -2.485 1.00 64.01 H new ATOM 0 HA LEU A 41 1.223 3.459 -2.689 1.00 41.23 H new ATOM 0 HB2 LEU A 41 0.085 1.246 -3.794 1.00 23.33 H new ATOM 0 HB3 LEU A 41 -0.100 2.372 -5.124 1.00 23.33 H new ATOM 0 HG LEU A 41 1.937 1.004 -5.313 1.00 54.33 H new ATOM 0 HD11 LEU A 41 3.511 2.846 -5.756 1.00 41.13 H new ATOM 0 HD12 LEU A 41 1.874 3.221 -6.344 1.00 41.13 H new ATOM 0 HD13 LEU A 41 2.467 3.954 -4.834 1.00 41.13 H new ATOM 0 HD21 LEU A 41 3.828 1.398 -3.783 1.00 42.44 H new ATOM 0 HD22 LEU A 41 2.796 2.450 -2.785 1.00 42.44 H new ATOM 0 HD23 LEU A 41 2.421 0.716 -2.931 1.00 42.44 H new ATOM 559 N THR A 42 -1.311 4.713 -4.384 1.00 24.22 N ATOM 560 CA THR A 42 -1.770 5.891 -5.106 1.00 54.21 C ATOM 561 C THR A 42 -1.605 7.151 -4.263 1.00 1.40 C ATOM 562 O THR A 42 -1.152 8.185 -4.755 1.00 35.33 O ATOM 563 CB THR A 42 -3.246 5.756 -5.523 1.00 54.14 C ATOM 564 OG1 THR A 42 -3.404 4.649 -6.417 1.00 4.14 O ATOM 565 CG2 THR A 42 -3.738 7.030 -6.194 1.00 13.11 C ATOM 0 H THR A 42 -2.033 4.012 -4.219 1.00 24.22 H new ATOM 0 HA THR A 42 -1.154 5.972 -6.002 1.00 54.21 H new ATOM 0 HB THR A 42 -3.839 5.585 -4.625 1.00 54.14 H new ATOM 0 HG1 THR A 42 -3.288 3.811 -5.923 1.00 4.14 H new ATOM 0 HG21 THR A 42 -4.783 6.911 -6.480 1.00 13.11 H new ATOM 0 HG22 THR A 42 -3.645 7.866 -5.501 1.00 13.11 H new ATOM 0 HG23 THR A 42 -3.139 7.228 -7.083 1.00 13.11 H new ATOM 573 N TYR A 43 -1.973 7.056 -2.990 1.00 41.42 N ATOM 574 CA TYR A 43 -1.867 8.190 -2.077 1.00 72.14 C ATOM 575 C TYR A 43 -0.410 8.600 -1.885 1.00 75.20 C ATOM 576 O TYR A 43 -0.082 9.785 -1.899 1.00 44.54 O ATOM 577 CB TYR A 43 -2.494 7.843 -0.726 1.00 62.24 C ATOM 578 CG TYR A 43 -4.000 7.717 -0.771 1.00 61.44 C ATOM 579 CD1 TYR A 43 -4.775 8.652 -1.444 1.00 52.14 C ATOM 580 CD2 TYR A 43 -4.647 6.662 -0.140 1.00 63.41 C ATOM 581 CE1 TYR A 43 -6.151 8.542 -1.487 1.00 35.11 C ATOM 582 CE2 TYR A 43 -6.023 6.541 -0.180 1.00 73.03 C ATOM 583 CZ TYR A 43 -6.771 7.485 -0.854 1.00 1.12 C ATOM 584 OH TYR A 43 -8.142 7.369 -0.897 1.00 12.42 O ATOM 0 H TYR A 43 -2.347 6.207 -2.567 1.00 41.42 H new ATOM 0 HA TYR A 43 -2.407 9.030 -2.515 1.00 72.14 H new ATOM 0 HB2 TYR A 43 -2.070 6.905 -0.369 1.00 62.24 H new ATOM 0 HB3 TYR A 43 -2.224 8.611 -0.002 1.00 62.24 H new ATOM 0 HD1 TYR A 43 -4.293 9.480 -1.943 1.00 52.14 H new ATOM 0 HD2 TYR A 43 -4.065 5.924 0.391 1.00 63.41 H new ATOM 0 HE1 TYR A 43 -6.738 9.280 -2.013 1.00 35.11 H new ATOM 0 HE2 TYR A 43 -6.510 5.713 0.313 1.00 73.03 H new ATOM 0 HH TYR A 43 -8.418 6.569 -0.403 1.00 12.42 H new ATOM 594 N ALA A 44 0.458 7.610 -1.707 1.00 3.52 N ATOM 595 CA ALA A 44 1.880 7.866 -1.515 1.00 2.41 C ATOM 596 C ALA A 44 2.520 8.396 -2.793 1.00 11.41 C ATOM 597 O ALA A 44 3.503 9.136 -2.745 1.00 72.43 O ATOM 598 CB ALA A 44 2.587 6.600 -1.053 1.00 24.40 C ATOM 0 H ALA A 44 0.201 6.623 -1.692 1.00 3.52 H new ATOM 0 HA ALA A 44 1.985 8.629 -0.744 1.00 2.41 H new ATOM 0 HB1 ALA A 44 3.648 6.806 -0.914 1.00 24.40 H new ATOM 0 HB2 ALA A 44 2.155 6.266 -0.110 1.00 24.40 H new ATOM 0 HB3 ALA A 44 2.464 5.820 -1.804 1.00 24.40 H new ATOM 604 N ASP A 45 1.958 8.013 -3.932 1.00 65.41 N ATOM 605 CA ASP A 45 2.474 8.450 -5.225 1.00 33.02 C ATOM 606 C ASP A 45 2.510 9.972 -5.309 1.00 72.34 C ATOM 607 O ASP A 45 3.426 10.549 -5.892 1.00 65.34 O ATOM 608 CB ASP A 45 1.615 7.885 -6.359 1.00 10.53 C ATOM 609 CG ASP A 45 2.411 7.006 -7.304 1.00 42.23 C ATOM 610 OD1 ASP A 45 3.081 7.555 -8.203 1.00 70.24 O ATOM 611 OD2 ASP A 45 2.365 5.769 -7.143 1.00 75.10 O ATOM 0 H ASP A 45 1.144 7.400 -3.988 1.00 65.41 H new ATOM 0 HA ASP A 45 3.492 8.074 -5.328 1.00 33.02 H new ATOM 0 HB2 ASP A 45 0.793 7.308 -5.936 1.00 10.53 H new ATOM 0 HB3 ASP A 45 1.171 8.708 -6.919 1.00 10.53 H new ATOM 616 N ASN A 46 1.508 10.616 -4.720 1.00 64.43 N ATOM 617 CA ASN A 46 1.424 12.072 -4.729 1.00 72.44 C ATOM 618 C ASN A 46 2.588 12.689 -3.960 1.00 72.23 C ATOM 619 O ASN A 46 3.257 13.600 -4.451 1.00 73.30 O ATOM 620 CB ASN A 46 0.097 12.532 -4.122 1.00 65.34 C ATOM 621 CG ASN A 46 -1.095 12.132 -4.971 1.00 53.25 C ATOM 622 OD1 ASN A 46 -2.036 11.506 -4.482 1.00 1.20 O ATOM 623 ND2 ASN A 46 -1.062 12.495 -6.247 1.00 22.44 N ATOM 0 H ASN A 46 0.743 10.153 -4.230 1.00 64.43 H new ATOM 0 HA ASN A 46 1.477 12.407 -5.765 1.00 72.44 H new ATOM 0 HB2 ASN A 46 -0.011 12.105 -3.125 1.00 65.34 H new ATOM 0 HB3 ASN A 46 0.110 13.616 -4.006 1.00 65.34 H new ATOM 0 HD21 ASN A 46 -1.837 12.256 -6.865 1.00 22.44 H new ATOM 0 HD22 ASN A 46 -0.262 13.013 -6.609 1.00 22.44 H new ATOM 630 N ILE A 47 2.826 12.186 -2.754 1.00 70.50 N ATOM 631 CA ILE A 47 3.910 12.686 -1.918 1.00 60.45 C ATOM 632 C ILE A 47 5.270 12.352 -2.523 1.00 62.44 C ATOM 633 O ILE A 47 6.196 13.163 -2.480 1.00 63.42 O ATOM 634 CB ILE A 47 3.838 12.103 -0.494 1.00 60.14 C ATOM 635 CG1 ILE A 47 2.560 12.569 0.206 1.00 14.02 C ATOM 636 CG2 ILE A 47 5.066 12.508 0.307 1.00 2.21 C ATOM 637 CD1 ILE A 47 1.434 11.561 0.146 1.00 11.12 C ATOM 0 H ILE A 47 2.283 11.432 -2.334 1.00 70.50 H new ATOM 0 HA ILE A 47 3.794 13.769 -1.865 1.00 60.45 H new ATOM 0 HB ILE A 47 3.817 11.015 -0.562 1.00 60.14 H new ATOM 0 HG12 ILE A 47 2.786 12.787 1.250 1.00 14.02 H new ATOM 0 HG13 ILE A 47 2.226 13.502 -0.249 1.00 14.02 H new ATOM 0 HG21 ILE A 47 5.000 12.088 1.311 1.00 2.21 H new ATOM 0 HG22 ILE A 47 5.962 12.131 -0.186 1.00 2.21 H new ATOM 0 HG23 ILE A 47 5.117 13.595 0.371 1.00 2.21 H new ATOM 0 HD11 ILE A 47 0.561 11.960 0.663 1.00 11.12 H new ATOM 0 HD12 ILE A 47 1.180 11.361 -0.895 1.00 11.12 H new ATOM 0 HD13 ILE A 47 1.749 10.635 0.627 1.00 11.12 H new ATOM 649 N LEU A 48 5.381 11.156 -3.089 1.00 61.22 N ATOM 650 CA LEU A 48 6.626 10.715 -3.706 1.00 4.44 C ATOM 651 C LEU A 48 6.922 11.514 -4.971 1.00 53.13 C ATOM 652 O LEU A 48 8.065 11.888 -5.229 1.00 4.44 O ATOM 653 CB LEU A 48 6.556 9.222 -4.037 1.00 55.14 C ATOM 654 CG LEU A 48 6.415 8.276 -2.844 1.00 53.23 C ATOM 655 CD1 LEU A 48 5.845 6.939 -3.290 1.00 11.35 C ATOM 656 CD2 LEU A 48 7.757 8.085 -2.155 1.00 34.35 C ATOM 0 H LEU A 48 4.624 10.474 -3.133 1.00 61.22 H new ATOM 0 HA LEU A 48 7.433 10.885 -2.994 1.00 4.44 H new ATOM 0 HB2 LEU A 48 5.712 9.058 -4.707 1.00 55.14 H new ATOM 0 HB3 LEU A 48 7.457 8.950 -4.587 1.00 55.14 H new ATOM 0 HG LEU A 48 5.724 8.721 -2.129 1.00 53.23 H new ATOM 0 HD11 LEU A 48 5.751 6.278 -2.429 1.00 11.35 H new ATOM 0 HD12 LEU A 48 4.863 7.093 -3.738 1.00 11.35 H new ATOM 0 HD13 LEU A 48 6.511 6.486 -4.024 1.00 11.35 H new ATOM 0 HD21 LEU A 48 7.638 7.409 -1.308 1.00 34.35 H new ATOM 0 HD22 LEU A 48 8.471 7.661 -2.861 1.00 34.35 H new ATOM 0 HD23 LEU A 48 8.125 9.048 -1.801 1.00 34.35 H new ATOM 668 N ARG A 49 5.880 11.775 -5.756 1.00 53.41 N ATOM 669 CA ARG A 49 6.026 12.532 -6.992 1.00 44.22 C ATOM 670 C ARG A 49 6.306 14.003 -6.701 1.00 72.30 C ATOM 671 O ARG A 49 7.014 14.672 -7.453 1.00 21.42 O ATOM 672 CB ARG A 49 4.765 12.401 -7.847 1.00 65.11 C ATOM 673 CG ARG A 49 4.649 11.063 -8.561 1.00 44.23 C ATOM 674 CD ARG A 49 5.782 10.862 -9.556 1.00 71.30 C ATOM 675 NE ARG A 49 5.286 10.557 -10.895 1.00 52.20 N ATOM 676 CZ ARG A 49 4.854 11.480 -11.747 1.00 61.35 C ATOM 677 NH1 ARG A 49 4.855 12.759 -11.399 1.00 43.43 N ATOM 678 NH2 ARG A 49 4.419 11.124 -12.948 1.00 53.13 N ATOM 0 H ARG A 49 4.926 11.473 -5.557 1.00 53.41 H new ATOM 0 HA ARG A 49 6.874 12.122 -7.541 1.00 44.22 H new ATOM 0 HB2 ARG A 49 3.890 12.542 -7.213 1.00 65.11 H new ATOM 0 HB3 ARG A 49 4.754 13.201 -8.588 1.00 65.11 H new ATOM 0 HG2 ARG A 49 4.660 10.256 -7.828 1.00 44.23 H new ATOM 0 HG3 ARG A 49 3.693 11.009 -9.081 1.00 44.23 H new ATOM 0 HD2 ARG A 49 6.396 11.762 -9.593 1.00 71.30 H new ATOM 0 HD3 ARG A 49 6.425 10.051 -9.214 1.00 71.30 H new ATOM 0 HE ARG A 49 5.270 9.581 -11.193 1.00 52.20 H new ATOM 0 HH11 ARG A 49 5.188 13.036 -10.476 1.00 43.43 H new ATOM 0 HH12 ARG A 49 4.523 13.466 -12.055 1.00 43.43 H new ATOM 0 HH21 ARG A 49 4.416 10.141 -13.218 1.00 53.13 H new ATOM 0 HH22 ARG A 49 4.087 11.834 -13.601 1.00 53.13 H new ATOM 692 N ASN A 50 5.744 14.500 -5.604 1.00 33.43 N ATOM 693 CA ASN A 50 5.932 15.893 -5.213 1.00 25.52 C ATOM 694 C ASN A 50 6.094 16.016 -3.702 1.00 54.13 C ATOM 695 O ASN A 50 5.210 16.499 -2.994 1.00 74.52 O ATOM 696 CB ASN A 50 4.745 16.739 -5.681 1.00 3.51 C ATOM 697 CG ASN A 50 4.239 16.319 -7.047 1.00 42.11 C ATOM 698 OD1 ASN A 50 4.951 16.429 -8.046 1.00 30.42 O ATOM 699 ND2 ASN A 50 3.003 15.836 -7.097 1.00 74.01 N ATOM 0 H ASN A 50 5.155 13.960 -4.970 1.00 33.43 H new ATOM 0 HA ASN A 50 6.842 16.259 -5.689 1.00 25.52 H new ATOM 0 HB2 ASN A 50 3.935 16.657 -4.956 1.00 3.51 H new ATOM 0 HB3 ASN A 50 5.040 17.788 -5.712 1.00 3.51 H new ATOM 0 HD21 ASN A 50 2.608 15.538 -7.989 1.00 74.01 H new ATOM 0 HD22 ASN A 50 2.449 15.763 -6.244 1.00 74.01 H new ATOM 706 N PRO A 51 7.252 15.570 -3.193 1.00 55.53 N ATOM 707 CA PRO A 51 7.558 15.622 -1.759 1.00 64.51 C ATOM 708 C PRO A 51 7.776 17.047 -1.264 1.00 31.04 C ATOM 709 O PRO A 51 7.593 17.338 -0.082 1.00 30.24 O ATOM 710 CB PRO A 51 8.853 14.813 -1.645 1.00 23.41 C ATOM 711 CG PRO A 51 9.485 14.916 -2.990 1.00 54.33 C ATOM 712 CD PRO A 51 8.352 14.985 -3.976 1.00 35.44 C ATOM 0 HA PRO A 51 6.740 15.233 -1.153 1.00 64.51 H new ATOM 0 HB2 PRO A 51 9.505 15.216 -0.870 1.00 23.41 H new ATOM 0 HB3 PRO A 51 8.649 13.775 -1.382 1.00 23.41 H new ATOM 0 HG2 PRO A 51 10.116 15.802 -3.058 1.00 54.33 H new ATOM 0 HG3 PRO A 51 10.123 14.055 -3.188 1.00 54.33 H new ATOM 0 HD2 PRO A 51 8.606 15.604 -4.837 1.00 35.44 H new ATOM 0 HD3 PRO A 51 8.092 13.998 -4.359 1.00 35.44 H new ATOM 720 N SER A 52 8.166 17.933 -2.174 1.00 63.12 N ATOM 721 CA SER A 52 8.412 19.328 -1.829 1.00 32.23 C ATOM 722 C SER A 52 7.099 20.095 -1.702 1.00 60.14 C ATOM 723 O SER A 52 7.022 21.103 -0.999 1.00 54.11 O ATOM 724 CB SER A 52 9.301 19.988 -2.883 1.00 65.51 C ATOM 725 OG SER A 52 9.298 21.398 -2.743 1.00 72.04 O ATOM 0 H SER A 52 8.319 17.709 -3.157 1.00 63.12 H new ATOM 0 HA SER A 52 8.923 19.354 -0.867 1.00 32.23 H new ATOM 0 HB2 SER A 52 10.320 19.613 -2.790 1.00 65.51 H new ATOM 0 HB3 SER A 52 8.951 19.718 -3.879 1.00 65.51 H new ATOM 0 HG SER A 52 9.875 21.796 -3.428 1.00 72.04 H new ATOM 731 N ASP A 53 6.069 19.612 -2.387 1.00 21.15 N ATOM 732 CA ASP A 53 4.758 20.249 -2.351 1.00 24.43 C ATOM 733 C ASP A 53 4.113 20.086 -0.979 1.00 53.21 C ATOM 734 O ASP A 53 3.491 19.065 -0.692 1.00 21.41 O ATOM 735 CB ASP A 53 3.850 19.657 -3.429 1.00 32.53 C ATOM 736 CG ASP A 53 4.112 20.252 -4.799 1.00 60.24 C ATOM 737 OD1 ASP A 53 5.067 21.045 -4.927 1.00 43.32 O ATOM 738 OD2 ASP A 53 3.360 19.927 -5.742 1.00 5.24 O ATOM 0 H ASP A 53 6.117 18.780 -2.975 1.00 21.15 H new ATOM 0 HA ASP A 53 4.893 21.313 -2.545 1.00 24.43 H new ATOM 0 HB2 ASP A 53 3.997 18.578 -3.471 1.00 32.53 H new ATOM 0 HB3 ASP A 53 2.809 19.827 -3.156 1.00 32.53 H new ATOM 743 N GLU A 54 4.267 21.103 -0.135 1.00 35.14 N ATOM 744 CA GLU A 54 3.699 21.071 1.209 1.00 21.20 C ATOM 745 C GLU A 54 2.175 21.027 1.154 1.00 13.20 C ATOM 746 O GLU A 54 1.521 20.577 2.095 1.00 12.02 O ATOM 747 CB GLU A 54 4.158 22.291 2.009 1.00 43.11 C ATOM 748 CG GLU A 54 5.573 22.168 2.548 1.00 40.35 C ATOM 749 CD GLU A 54 5.977 23.355 3.403 1.00 71.15 C ATOM 750 OE1 GLU A 54 5.399 23.520 4.499 1.00 24.41 O ATOM 751 OE2 GLU A 54 6.866 24.119 2.977 1.00 24.12 O ATOM 0 H GLU A 54 4.779 21.957 -0.357 1.00 35.14 H new ATOM 0 HA GLU A 54 4.053 20.167 1.705 1.00 21.20 H new ATOM 0 HB2 GLU A 54 4.095 23.175 1.375 1.00 43.11 H new ATOM 0 HB3 GLU A 54 3.473 22.447 2.842 1.00 43.11 H new ATOM 0 HG2 GLU A 54 5.655 21.255 3.138 1.00 40.35 H new ATOM 0 HG3 GLU A 54 6.268 22.072 1.714 1.00 40.35 H new ATOM 758 N LYS A 55 1.615 21.501 0.046 1.00 33.54 N ATOM 759 CA LYS A 55 0.168 21.516 -0.134 1.00 14.10 C ATOM 760 C LYS A 55 -0.388 20.097 -0.198 1.00 2.11 C ATOM 761 O LYS A 55 -1.556 19.863 0.115 1.00 51.11 O ATOM 762 CB LYS A 55 -0.201 22.278 -1.407 1.00 44.14 C ATOM 763 CG LYS A 55 0.473 21.736 -2.656 1.00 63.15 C ATOM 764 CD LYS A 55 -0.286 20.551 -3.229 1.00 4.02 C ATOM 765 CE LYS A 55 -0.426 20.656 -4.740 1.00 2.32 C ATOM 766 NZ LYS A 55 0.035 19.417 -5.427 1.00 60.13 N ATOM 0 H LYS A 55 2.142 21.880 -0.741 1.00 33.54 H new ATOM 0 HA LYS A 55 -0.274 22.021 0.725 1.00 14.10 H new ATOM 0 HB2 LYS A 55 -1.282 22.241 -1.542 1.00 44.14 H new ATOM 0 HB3 LYS A 55 0.069 23.327 -1.284 1.00 44.14 H new ATOM 0 HG2 LYS A 55 0.539 22.524 -3.406 1.00 63.15 H new ATOM 0 HG3 LYS A 55 1.493 21.435 -2.419 1.00 63.15 H new ATOM 0 HD2 LYS A 55 0.233 19.627 -2.974 1.00 4.02 H new ATOM 0 HD3 LYS A 55 -1.275 20.497 -2.774 1.00 4.02 H new ATOM 0 HE2 LYS A 55 -1.468 20.847 -4.996 1.00 2.32 H new ATOM 0 HE3 LYS A 55 0.152 21.507 -5.100 1.00 2.32 H new ATOM 0 HZ1 LYS A 55 -0.387 19.369 -6.376 1.00 60.13 H new ATOM 0 HZ2 LYS A 55 1.072 19.431 -5.509 1.00 60.13 H new ATOM 0 HZ3 LYS A 55 -0.258 18.585 -4.876 1.00 60.13 H new ATOM 780 N TYR A 56 0.455 19.155 -0.606 1.00 15.44 N ATOM 781 CA TYR A 56 0.047 17.760 -0.712 1.00 15.12 C ATOM 782 C TYR A 56 0.376 16.997 0.568 1.00 31.42 C ATOM 783 O TYR A 56 0.381 15.766 0.587 1.00 61.52 O ATOM 784 CB TYR A 56 0.735 17.095 -1.905 1.00 34.32 C ATOM 785 CG TYR A 56 -0.221 16.382 -2.835 1.00 63.55 C ATOM 786 CD1 TYR A 56 -1.238 15.578 -2.335 1.00 21.04 C ATOM 787 CD2 TYR A 56 -0.108 16.515 -4.213 1.00 22.54 C ATOM 788 CE1 TYR A 56 -2.113 14.924 -3.181 1.00 32.25 C ATOM 789 CE2 TYR A 56 -0.980 15.864 -5.068 1.00 50.52 C ATOM 790 CZ TYR A 56 -1.979 15.071 -4.546 1.00 31.42 C ATOM 791 OH TYR A 56 -2.850 14.423 -5.392 1.00 32.14 O ATOM 0 H TYR A 56 1.425 19.332 -0.869 1.00 15.44 H new ATOM 0 HA TYR A 56 -1.032 17.734 -0.862 1.00 15.12 H new ATOM 0 HB2 TYR A 56 1.280 17.853 -2.468 1.00 34.32 H new ATOM 0 HB3 TYR A 56 1.472 16.381 -1.537 1.00 34.32 H new ATOM 0 HD1 TYR A 56 -1.346 15.462 -1.267 1.00 21.04 H new ATOM 0 HD2 TYR A 56 0.673 17.137 -4.624 1.00 22.54 H new ATOM 0 HE1 TYR A 56 -2.897 14.301 -2.776 1.00 32.25 H new ATOM 0 HE2 TYR A 56 -0.878 15.977 -6.137 1.00 50.52 H new ATOM 0 HH TYR A 56 -2.619 14.632 -6.321 1.00 32.14 H new ATOM 801 N ARG A 57 0.649 17.737 1.637 1.00 13.02 N ATOM 802 CA ARG A 57 0.980 17.133 2.921 1.00 15.10 C ATOM 803 C ARG A 57 -0.200 16.331 3.465 1.00 41.41 C ATOM 804 O ARG A 57 -0.042 15.512 4.370 1.00 70.45 O ATOM 805 CB ARG A 57 1.384 18.210 3.928 1.00 51.34 C ATOM 806 CG ARG A 57 2.831 18.656 3.796 1.00 64.42 C ATOM 807 CD ARG A 57 3.094 19.936 4.573 1.00 4.33 C ATOM 808 NE ARG A 57 3.927 19.699 5.750 1.00 51.35 N ATOM 809 CZ ARG A 57 3.450 19.274 6.914 1.00 13.32 C ATOM 810 NH1 ARG A 57 2.153 19.039 7.056 1.00 31.44 N ATOM 811 NH2 ARG A 57 4.272 19.082 7.939 1.00 73.34 N ATOM 0 H ARG A 57 0.647 18.757 1.639 1.00 13.02 H new ATOM 0 HA ARG A 57 1.820 16.455 2.768 1.00 15.10 H new ATOM 0 HB2 ARG A 57 0.733 19.075 3.802 1.00 51.34 H new ATOM 0 HB3 ARG A 57 1.220 17.832 4.937 1.00 51.34 H new ATOM 0 HG2 ARG A 57 3.490 17.867 4.159 1.00 64.42 H new ATOM 0 HG3 ARG A 57 3.070 18.812 2.744 1.00 64.42 H new ATOM 0 HD2 ARG A 57 3.583 20.661 3.923 1.00 4.33 H new ATOM 0 HD3 ARG A 57 2.145 20.374 4.882 1.00 4.33 H new ATOM 0 HE ARG A 57 4.930 19.869 5.673 1.00 51.35 H new ATOM 0 HH11 ARG A 57 1.519 19.185 6.270 1.00 31.44 H new ATOM 0 HH12 ARG A 57 1.789 18.713 7.951 1.00 31.44 H new ATOM 0 HH21 ARG A 57 5.270 19.261 7.832 1.00 73.34 H new ATOM 0 HH22 ARG A 57 3.905 18.756 8.833 1.00 73.34 H new ATOM 825 N SER A 58 -1.382 16.575 2.906 1.00 25.05 N ATOM 826 CA SER A 58 -2.588 15.880 3.337 1.00 11.31 C ATOM 827 C SER A 58 -3.269 15.192 2.158 1.00 12.22 C ATOM 828 O SER A 58 -3.057 15.561 1.003 1.00 35.12 O ATOM 829 CB SER A 58 -3.558 16.860 3.999 1.00 33.34 C ATOM 830 OG SER A 58 -4.337 17.540 3.030 1.00 63.02 O ATOM 0 H SER A 58 -1.529 17.249 2.154 1.00 25.05 H new ATOM 0 HA SER A 58 -2.299 15.119 4.062 1.00 11.31 H new ATOM 0 HB2 SER A 58 -4.213 16.321 4.684 1.00 33.34 H new ATOM 0 HB3 SER A 58 -3.000 17.583 4.594 1.00 33.34 H new ATOM 0 HG SER A 58 -4.950 18.159 3.479 1.00 63.02 H new ATOM 836 N ILE A 59 -4.088 14.189 2.459 1.00 20.31 N ATOM 837 CA ILE A 59 -4.802 13.449 1.425 1.00 13.04 C ATOM 838 C ILE A 59 -6.292 13.372 1.734 1.00 61.51 C ATOM 839 O ILE A 59 -6.701 12.764 2.724 1.00 44.34 O ATOM 840 CB ILE A 59 -4.246 12.022 1.271 1.00 65.30 C ATOM 841 CG1 ILE A 59 -3.906 11.431 2.641 1.00 62.13 C ATOM 842 CG2 ILE A 59 -3.019 12.024 0.370 1.00 74.11 C ATOM 843 CD1 ILE A 59 -3.403 10.006 2.577 1.00 14.24 C ATOM 0 H ILE A 59 -4.273 13.870 3.410 1.00 20.31 H new ATOM 0 HA ILE A 59 -4.656 13.990 0.490 1.00 13.04 H new ATOM 0 HB ILE A 59 -5.012 11.400 0.808 1.00 65.30 H new ATOM 0 HG12 ILE A 59 -3.149 12.054 3.118 1.00 62.13 H new ATOM 0 HG13 ILE A 59 -4.793 11.466 3.273 1.00 62.13 H new ATOM 0 HG21 ILE A 59 -2.638 11.007 0.272 1.00 74.11 H new ATOM 0 HG22 ILE A 59 -3.291 12.407 -0.614 1.00 74.11 H new ATOM 0 HG23 ILE A 59 -2.248 12.659 0.806 1.00 74.11 H new ATOM 0 HD11 ILE A 59 -3.182 9.653 3.584 1.00 14.24 H new ATOM 0 HD12 ILE A 59 -4.167 9.370 2.129 1.00 14.24 H new ATOM 0 HD13 ILE A 59 -2.497 9.967 1.972 1.00 14.24 H new ATOM 855 N ARG A 60 -7.101 13.990 0.879 1.00 12.31 N ATOM 856 CA ARG A 60 -8.548 13.991 1.060 1.00 14.43 C ATOM 857 C ARG A 60 -9.143 12.633 0.695 1.00 43.33 C ATOM 858 O ARG A 60 -8.914 12.121 -0.401 1.00 62.33 O ATOM 859 CB ARG A 60 -9.189 15.087 0.208 1.00 41.04 C ATOM 860 CG ARG A 60 -8.996 14.888 -1.286 1.00 45.24 C ATOM 861 CD ARG A 60 -8.440 16.140 -1.947 1.00 55.23 C ATOM 862 NE ARG A 60 -9.245 17.322 -1.644 1.00 3.42 N ATOM 863 CZ ARG A 60 -8.792 18.567 -1.753 1.00 24.41 C ATOM 864 NH1 ARG A 60 -7.548 18.791 -2.156 1.00 31.11 N ATOM 865 NH2 ARG A 60 -9.584 19.589 -1.459 1.00 72.40 N ATOM 0 H ARG A 60 -6.779 14.496 0.054 1.00 12.31 H new ATOM 0 HA ARG A 60 -8.757 14.189 2.111 1.00 14.43 H new ATOM 0 HB2 ARG A 60 -10.256 15.127 0.426 1.00 41.04 H new ATOM 0 HB3 ARG A 60 -8.769 16.051 0.495 1.00 41.04 H new ATOM 0 HG2 ARG A 60 -8.318 14.052 -1.458 1.00 45.24 H new ATOM 0 HG3 ARG A 60 -9.949 14.625 -1.745 1.00 45.24 H new ATOM 0 HD2 ARG A 60 -7.416 16.303 -1.611 1.00 55.23 H new ATOM 0 HD3 ARG A 60 -8.402 15.994 -3.027 1.00 55.23 H new ATOM 0 HE ARG A 60 -10.206 17.184 -1.332 1.00 3.42 H new ATOM 0 HH11 ARG A 60 -6.936 18.007 -2.383 1.00 31.11 H new ATOM 0 HH12 ARG A 60 -7.203 19.747 -2.239 1.00 31.11 H new ATOM 0 HH21 ARG A 60 -10.541 19.420 -1.149 1.00 72.40 H new ATOM 0 HH22 ARG A 60 -9.236 20.544 -1.543 1.00 72.40 H new ATOM 879 N ILE A 61 -9.904 12.059 1.618 1.00 33.45 N ATOM 880 CA ILE A 61 -10.532 10.763 1.392 1.00 4.33 C ATOM 881 C ILE A 61 -11.943 10.728 1.966 1.00 74.11 C ATOM 882 O ILE A 61 -12.231 9.969 2.891 1.00 50.51 O ATOM 883 CB ILE A 61 -9.707 9.621 2.017 1.00 72.24 C ATOM 884 CG1 ILE A 61 -9.332 9.965 3.460 1.00 44.00 C ATOM 885 CG2 ILE A 61 -8.459 9.356 1.188 1.00 45.21 C ATOM 886 CD1 ILE A 61 -9.692 8.880 4.452 1.00 43.51 C ATOM 0 H ILE A 61 -10.101 12.470 2.530 1.00 33.45 H new ATOM 0 HA ILE A 61 -10.578 10.619 0.313 1.00 4.33 H new ATOM 0 HB ILE A 61 -10.313 8.715 2.025 1.00 72.24 H new ATOM 0 HG12 ILE A 61 -8.260 10.154 3.513 1.00 44.00 H new ATOM 0 HG13 ILE A 61 -9.833 10.889 3.747 1.00 44.00 H new ATOM 0 HG21 ILE A 61 -7.886 8.547 1.641 1.00 45.21 H new ATOM 0 HG22 ILE A 61 -8.748 9.073 0.176 1.00 45.21 H new ATOM 0 HG23 ILE A 61 -7.848 10.258 1.152 1.00 45.21 H new ATOM 0 HD11 ILE A 61 -9.398 9.191 5.454 1.00 43.51 H new ATOM 0 HD12 ILE A 61 -10.768 8.707 4.427 1.00 43.51 H new ATOM 0 HD13 ILE A 61 -9.170 7.960 4.190 1.00 43.51 H new ATOM 898 N GLY A 62 -12.824 11.554 1.409 1.00 50.22 N ATOM 899 CA GLY A 62 -14.197 11.600 1.878 1.00 72.15 C ATOM 900 C GLY A 62 -15.068 10.544 1.227 1.00 32.13 C ATOM 901 O GLY A 62 -16.223 10.363 1.607 1.00 72.10 O ATOM 0 H GLY A 62 -12.612 12.192 0.642 1.00 50.22 H new ATOM 0 HA2 GLY A 62 -14.213 11.464 2.959 1.00 72.15 H new ATOM 0 HA3 GLY A 62 -14.614 12.586 1.675 1.00 72.15 H new ATOM 905 N ASN A 63 -14.511 9.844 0.244 1.00 5.32 N ATOM 906 CA ASN A 63 -15.246 8.801 -0.462 1.00 13.12 C ATOM 907 C ASN A 63 -15.872 7.816 0.521 1.00 2.21 C ATOM 908 O ASN A 63 -15.173 7.187 1.317 1.00 52.41 O ATOM 909 CB ASN A 63 -14.319 8.058 -1.427 1.00 11.51 C ATOM 910 CG ASN A 63 -13.463 9.002 -2.249 1.00 73.05 C ATOM 911 OD1 ASN A 63 -12.239 9.020 -2.122 1.00 14.52 O ATOM 912 ND2 ASN A 63 -14.107 9.794 -3.100 1.00 14.40 N ATOM 0 H ASN A 63 -13.554 9.980 -0.081 1.00 5.32 H new ATOM 0 HA ASN A 63 -16.045 9.276 -1.031 1.00 13.12 H new ATOM 0 HB2 ASN A 63 -13.674 7.386 -0.861 1.00 11.51 H new ATOM 0 HB3 ASN A 63 -14.916 7.438 -2.096 1.00 11.51 H new ATOM 0 HD21 ASN A 63 -13.585 10.450 -3.681 1.00 14.40 H new ATOM 0 HD22 ASN A 63 -15.123 9.745 -3.173 1.00 14.40 H new ATOM 919 N THR A 64 -17.193 7.683 0.459 1.00 44.21 N ATOM 920 CA THR A 64 -17.912 6.775 1.342 1.00 72.10 C ATOM 921 C THR A 64 -17.360 5.360 1.244 1.00 24.45 C ATOM 922 O THR A 64 -17.408 4.595 2.208 1.00 25.22 O ATOM 923 CB THR A 64 -19.418 6.751 1.017 1.00 63.11 C ATOM 924 OG1 THR A 64 -19.672 7.490 -0.182 1.00 21.30 O ATOM 925 CG2 THR A 64 -20.229 7.337 2.162 1.00 43.35 C ATOM 0 H THR A 64 -17.787 8.194 -0.195 1.00 44.21 H new ATOM 0 HA THR A 64 -17.773 7.146 2.358 1.00 72.10 H new ATOM 0 HB THR A 64 -19.720 5.713 0.874 1.00 63.11 H new ATOM 0 HG1 THR A 64 -20.631 7.468 -0.383 1.00 21.30 H new ATOM 0 HG21 THR A 64 -21.289 7.309 1.909 1.00 43.35 H new ATOM 0 HG22 THR A 64 -20.056 6.753 3.066 1.00 43.35 H new ATOM 0 HG23 THR A 64 -19.924 8.369 2.333 1.00 43.35 H new ATOM 933 N ALA A 65 -16.832 5.014 0.075 1.00 43.15 N ATOM 934 CA ALA A 65 -16.267 3.689 -0.149 1.00 44.20 C ATOM 935 C ALA A 65 -15.114 3.416 0.811 1.00 12.41 C ATOM 936 O ALA A 65 -14.897 2.278 1.229 1.00 53.40 O ATOM 937 CB ALA A 65 -15.800 3.550 -1.591 1.00 35.11 C ATOM 0 H ALA A 65 -16.784 5.634 -0.733 1.00 43.15 H new ATOM 0 HA ALA A 65 -17.047 2.952 0.041 1.00 44.20 H new ATOM 0 HB1 ALA A 65 -15.380 2.556 -1.743 1.00 35.11 H new ATOM 0 HB2 ALA A 65 -16.646 3.694 -2.263 1.00 35.11 H new ATOM 0 HB3 ALA A 65 -15.038 4.301 -1.801 1.00 35.11 H new ATOM 943 N PHE A 66 -14.375 4.466 1.155 1.00 63.01 N ATOM 944 CA PHE A 66 -13.242 4.338 2.064 1.00 44.21 C ATOM 945 C PHE A 66 -13.708 3.944 3.462 1.00 71.15 C ATOM 946 O PHE A 66 -13.127 3.066 4.098 1.00 3.14 O ATOM 947 CB PHE A 66 -12.459 5.652 2.126 1.00 75.55 C ATOM 948 CG PHE A 66 -11.472 5.710 3.256 1.00 3.14 C ATOM 949 CD1 PHE A 66 -11.872 6.100 4.523 1.00 33.13 C ATOM 950 CD2 PHE A 66 -10.143 5.374 3.050 1.00 11.11 C ATOM 951 CE1 PHE A 66 -10.966 6.153 5.566 1.00 42.33 C ATOM 952 CE2 PHE A 66 -9.233 5.424 4.088 1.00 45.03 C ATOM 953 CZ PHE A 66 -9.644 5.817 5.347 1.00 41.23 C ATOM 0 H PHE A 66 -14.541 5.414 0.818 1.00 63.01 H new ATOM 0 HA PHE A 66 -12.590 3.552 1.683 1.00 44.21 H new ATOM 0 HB2 PHE A 66 -11.929 5.795 1.184 1.00 75.55 H new ATOM 0 HB3 PHE A 66 -13.161 6.480 2.225 1.00 75.55 H new ATOM 0 HD1 PHE A 66 -12.904 6.366 4.699 1.00 33.13 H new ATOM 0 HD2 PHE A 66 -9.815 5.070 2.067 1.00 11.11 H new ATOM 0 HE1 PHE A 66 -11.291 6.457 6.550 1.00 42.33 H new ATOM 0 HE2 PHE A 66 -8.201 5.156 3.915 1.00 45.03 H new ATOM 0 HZ PHE A 66 -8.933 5.861 6.159 1.00 41.23 H new ATOM 963 N SER A 67 -14.761 4.603 3.935 1.00 72.33 N ATOM 964 CA SER A 67 -15.304 4.325 5.260 1.00 43.25 C ATOM 965 C SER A 67 -16.020 2.979 5.281 1.00 35.32 C ATOM 966 O SER A 67 -16.208 2.379 6.341 1.00 43.10 O ATOM 967 CB SER A 67 -16.269 5.437 5.681 1.00 13.24 C ATOM 968 OG SER A 67 -17.614 5.053 5.463 1.00 72.55 O ATOM 0 H SER A 67 -15.255 5.333 3.421 1.00 72.33 H new ATOM 0 HA SER A 67 -14.475 4.286 5.966 1.00 43.25 H new ATOM 0 HB2 SER A 67 -16.121 5.672 6.735 1.00 13.24 H new ATOM 0 HB3 SER A 67 -16.051 6.345 5.118 1.00 13.24 H new ATOM 0 HG SER A 67 -17.743 4.838 4.516 1.00 72.55 H new ATOM 974 N THR A 68 -16.421 2.509 4.105 1.00 22.23 N ATOM 975 CA THR A 68 -17.118 1.233 3.987 1.00 73.23 C ATOM 976 C THR A 68 -16.132 0.074 3.898 1.00 42.22 C ATOM 977 O THR A 68 -16.373 -1.001 4.446 1.00 1.22 O ATOM 978 CB THR A 68 -18.038 1.207 2.752 1.00 44.52 C ATOM 979 OG1 THR A 68 -17.257 1.324 1.558 1.00 41.13 O ATOM 980 CG2 THR A 68 -19.054 2.338 2.810 1.00 34.11 C ATOM 0 H THR A 68 -16.275 2.993 3.219 1.00 22.23 H new ATOM 0 HA THR A 68 -17.726 1.121 4.885 1.00 73.23 H new ATOM 0 HB THR A 68 -18.574 0.258 2.745 1.00 44.52 H new ATOM 0 HG1 THR A 68 -16.365 1.661 1.783 1.00 41.13 H new ATOM 0 HG21 THR A 68 -19.692 2.299 1.927 1.00 34.11 H new ATOM 0 HG22 THR A 68 -19.666 2.232 3.706 1.00 34.11 H new ATOM 0 HG23 THR A 68 -18.532 3.295 2.839 1.00 34.11 H new ATOM 988 N ARG A 69 -15.022 0.300 3.203 1.00 23.05 N ATOM 989 CA ARG A 69 -13.999 -0.726 3.042 1.00 24.31 C ATOM 990 C ARG A 69 -12.613 -0.100 2.923 1.00 34.14 C ATOM 991 O ARG A 69 -12.088 0.070 1.823 1.00 64.35 O ATOM 992 CB ARG A 69 -14.293 -1.577 1.805 1.00 24.42 C ATOM 993 CG ARG A 69 -13.842 -3.023 1.938 1.00 11.14 C ATOM 994 CD ARG A 69 -12.355 -3.116 2.245 1.00 14.04 C ATOM 995 NE ARG A 69 -11.930 -4.495 2.474 1.00 42.01 N ATOM 996 CZ ARG A 69 -12.266 -5.199 3.549 1.00 20.32 C ATOM 997 NH1 ARG A 69 -13.028 -4.658 4.488 1.00 13.14 N ATOM 998 NH2 ARG A 69 -11.839 -6.449 3.684 1.00 31.35 N ATOM 0 H ARG A 69 -14.808 1.185 2.742 1.00 23.05 H new ATOM 0 HA ARG A 69 -14.016 -1.362 3.927 1.00 24.31 H new ATOM 0 HB2 ARG A 69 -15.365 -1.556 1.607 1.00 24.42 H new ATOM 0 HB3 ARG A 69 -13.801 -1.130 0.942 1.00 24.42 H new ATOM 0 HG2 ARG A 69 -14.410 -3.511 2.730 1.00 11.14 H new ATOM 0 HG3 ARG A 69 -14.058 -3.559 1.014 1.00 11.14 H new ATOM 0 HD2 ARG A 69 -11.786 -2.694 1.416 1.00 14.04 H new ATOM 0 HD3 ARG A 69 -12.128 -2.515 3.126 1.00 14.04 H new ATOM 0 HE ARG A 69 -11.343 -4.942 1.770 1.00 42.01 H new ATOM 0 HH11 ARG A 69 -13.358 -3.698 4.387 1.00 13.14 H new ATOM 0 HH12 ARG A 69 -13.284 -5.201 5.312 1.00 13.14 H new ATOM 0 HH21 ARG A 69 -11.253 -6.869 2.962 1.00 31.35 H new ATOM 0 HH22 ARG A 69 -12.097 -6.990 4.510 1.00 31.35 H new ATOM 1012 N LEU A 70 -12.025 0.242 4.064 1.00 74.13 N ATOM 1013 CA LEU A 70 -10.700 0.850 4.090 1.00 73.23 C ATOM 1014 C LEU A 70 -10.316 1.258 5.510 1.00 24.14 C ATOM 1015 O LEU A 70 -9.141 1.224 5.880 1.00 24.43 O ATOM 1016 CB LEU A 70 -10.659 2.070 3.169 1.00 74.23 C ATOM 1017 CG LEU A 70 -9.565 2.068 2.101 1.00 14.02 C ATOM 1018 CD1 LEU A 70 -10.054 2.754 0.834 1.00 14.11 C ATOM 1019 CD2 LEU A 70 -8.306 2.746 2.625 1.00 74.24 C ATOM 0 H LEU A 70 -12.445 0.108 4.984 1.00 74.13 H new ATOM 0 HA LEU A 70 -9.981 0.111 3.736 1.00 73.23 H new ATOM 0 HB2 LEU A 70 -11.625 2.157 2.671 1.00 74.23 H new ATOM 0 HB3 LEU A 70 -10.536 2.961 3.785 1.00 74.23 H new ATOM 0 HG LEU A 70 -9.323 1.033 1.859 1.00 14.02 H new ATOM 0 HD11 LEU A 70 -9.262 2.743 0.085 1.00 14.11 H new ATOM 0 HD12 LEU A 70 -10.926 2.226 0.448 1.00 14.11 H new ATOM 0 HD13 LEU A 70 -10.325 3.785 1.060 1.00 14.11 H new ATOM 0 HD21 LEU A 70 -7.538 2.735 1.851 1.00 74.24 H new ATOM 0 HD22 LEU A 70 -8.534 3.777 2.896 1.00 74.24 H new ATOM 0 HD23 LEU A 70 -7.944 2.212 3.503 1.00 74.24 H new ATOM 1031 N LEU A 71 -11.311 1.640 6.300 1.00 61.12 N ATOM 1032 CA LEU A 71 -11.078 2.052 7.680 1.00 33.40 C ATOM 1033 C LEU A 71 -11.064 0.845 8.613 1.00 72.41 C ATOM 1034 O LEU A 71 -10.064 0.545 9.264 1.00 15.43 O ATOM 1035 CB LEU A 71 -12.155 3.043 8.127 1.00 43.12 C ATOM 1036 CG LEU A 71 -11.668 4.453 8.467 1.00 33.40 C ATOM 1037 CD1 LEU A 71 -12.816 5.447 8.389 1.00 75.43 C ATOM 1038 CD2 LEU A 71 -11.032 4.479 9.849 1.00 22.14 C ATOM 0 H LEU A 71 -12.288 1.673 6.009 1.00 61.12 H new ATOM 0 HA LEU A 71 -10.103 2.538 7.728 1.00 33.40 H new ATOM 0 HB2 LEU A 71 -12.902 3.119 7.337 1.00 43.12 H new ATOM 0 HB3 LEU A 71 -12.658 2.632 9.003 1.00 43.12 H new ATOM 0 HG LEU A 71 -10.913 4.742 7.736 1.00 33.40 H new ATOM 0 HD11 LEU A 71 -12.451 6.444 8.634 1.00 75.43 H new ATOM 0 HD12 LEU A 71 -13.228 5.449 7.380 1.00 75.43 H new ATOM 0 HD13 LEU A 71 -13.594 5.161 9.097 1.00 75.43 H new ATOM 0 HD21 LEU A 71 -10.691 5.490 10.074 1.00 22.14 H new ATOM 0 HD22 LEU A 71 -11.766 4.169 10.593 1.00 22.14 H new ATOM 0 HD23 LEU A 71 -10.182 3.797 9.871 1.00 22.14 H new ATOM 1050 N PRO A 72 -12.200 0.135 8.679 1.00 72.25 N ATOM 1051 CA PRO A 72 -12.343 -1.052 9.527 1.00 52.01 C ATOM 1052 C PRO A 72 -11.520 -2.231 9.019 1.00 34.11 C ATOM 1053 O PRO A 72 -11.432 -3.269 9.675 1.00 12.40 O ATOM 1054 CB PRO A 72 -13.839 -1.368 9.445 1.00 23.22 C ATOM 1055 CG PRO A 72 -14.278 -0.790 8.144 1.00 11.43 C ATOM 1056 CD PRO A 72 -13.433 0.435 7.931 1.00 64.22 C ATOM 0 HA PRO A 72 -11.986 -0.874 10.541 1.00 52.01 H new ATOM 0 HB2 PRO A 72 -14.019 -2.442 9.482 1.00 23.22 H new ATOM 0 HB3 PRO A 72 -14.383 -0.925 10.279 1.00 23.22 H new ATOM 0 HG2 PRO A 72 -14.141 -1.505 7.333 1.00 11.43 H new ATOM 0 HG3 PRO A 72 -15.337 -0.534 8.168 1.00 11.43 H new ATOM 0 HD2 PRO A 72 -13.230 0.604 6.873 1.00 64.22 H new ATOM 0 HD3 PRO A 72 -13.924 1.332 8.309 1.00 64.22 H new ATOM 1064 N VAL A 73 -10.919 -2.063 7.845 1.00 3.35 N ATOM 1065 CA VAL A 73 -10.101 -3.113 7.249 1.00 25.42 C ATOM 1066 C VAL A 73 -8.821 -3.334 8.048 1.00 73.54 C ATOM 1067 O VAL A 73 -8.144 -2.379 8.432 1.00 75.51 O ATOM 1068 CB VAL A 73 -9.733 -2.778 5.791 1.00 34.04 C ATOM 1069 CG1 VAL A 73 -8.752 -1.616 5.742 1.00 33.13 C ATOM 1070 CG2 VAL A 73 -9.158 -4.001 5.093 1.00 21.32 C ATOM 0 H VAL A 73 -10.983 -1.211 7.288 1.00 3.35 H new ATOM 0 HA VAL A 73 -10.697 -4.026 7.265 1.00 25.42 H new ATOM 0 HB VAL A 73 -10.640 -2.480 5.264 1.00 34.04 H new ATOM 0 HG11 VAL A 73 -8.503 -1.393 4.704 1.00 33.13 H new ATOM 0 HG12 VAL A 73 -9.205 -0.738 6.203 1.00 33.13 H new ATOM 0 HG13 VAL A 73 -7.844 -1.883 6.283 1.00 33.13 H new ATOM 0 HG21 VAL A 73 -8.904 -3.747 4.064 1.00 21.32 H new ATOM 0 HG22 VAL A 73 -8.261 -4.331 5.618 1.00 21.32 H new ATOM 0 HG23 VAL A 73 -9.896 -4.803 5.096 1.00 21.32 H new ATOM 1080 N ARG A 74 -8.496 -4.599 8.295 1.00 50.23 N ATOM 1081 CA ARG A 74 -7.297 -4.945 9.049 1.00 44.03 C ATOM 1082 C ARG A 74 -6.075 -4.996 8.136 1.00 73.42 C ATOM 1083 O ARG A 74 -5.939 -5.903 7.315 1.00 4.52 O ATOM 1084 CB ARG A 74 -7.480 -6.292 9.748 1.00 12.14 C ATOM 1085 CG ARG A 74 -6.741 -6.397 11.073 1.00 13.32 C ATOM 1086 CD ARG A 74 -5.267 -6.708 10.865 1.00 25.33 C ATOM 1087 NE ARG A 74 -4.792 -7.741 11.780 1.00 32.44 N ATOM 1088 CZ ARG A 74 -3.635 -8.378 11.634 1.00 41.03 C ATOM 1089 NH1 ARG A 74 -2.840 -8.087 10.614 1.00 2.20 N ATOM 1090 NH2 ARG A 74 -3.272 -9.306 12.509 1.00 50.30 N ATOM 0 H ARG A 74 -9.045 -5.400 7.984 1.00 50.23 H new ATOM 0 HA ARG A 74 -7.136 -4.172 9.800 1.00 44.03 H new ATOM 0 HB2 ARG A 74 -8.543 -6.461 9.920 1.00 12.14 H new ATOM 0 HB3 ARG A 74 -7.135 -7.085 9.085 1.00 12.14 H new ATOM 0 HG2 ARG A 74 -6.843 -5.461 11.623 1.00 13.32 H new ATOM 0 HG3 ARG A 74 -7.196 -7.177 11.684 1.00 13.32 H new ATOM 0 HD2 ARG A 74 -5.107 -7.033 9.837 1.00 25.33 H new ATOM 0 HD3 ARG A 74 -4.681 -5.800 11.008 1.00 25.33 H new ATOM 0 HE ARG A 74 -5.381 -7.988 12.576 1.00 32.44 H new ATOM 0 HH11 ARG A 74 -3.116 -7.373 9.940 1.00 2.20 H new ATOM 0 HH12 ARG A 74 -1.952 -8.577 10.503 1.00 2.20 H new ATOM 0 HH21 ARG A 74 -3.881 -9.532 13.295 1.00 50.30 H new ATOM 0 HH22 ARG A 74 -2.384 -9.794 12.396 1.00 50.30 H new ATOM 1104 N GLY A 75 -5.190 -4.015 8.282 1.00 25.14 N ATOM 1105 CA GLY A 75 -3.993 -3.968 7.464 1.00 45.44 C ATOM 1106 C GLY A 75 -3.741 -2.590 6.886 1.00 62.43 C ATOM 1107 O GLY A 75 -2.617 -2.090 6.923 1.00 53.45 O ATOM 0 H GLY A 75 -5.281 -3.252 8.953 1.00 25.14 H new ATOM 0 HA2 GLY A 75 -3.134 -4.270 8.064 1.00 45.44 H new ATOM 0 HA3 GLY A 75 -4.083 -4.689 6.651 1.00 45.44 H new ATOM 1111 N ALA A 76 -4.789 -1.976 6.345 1.00 51.20 N ATOM 1112 CA ALA A 76 -4.676 -0.647 5.757 1.00 3.15 C ATOM 1113 C ALA A 76 -4.308 0.391 6.810 1.00 71.55 C ATOM 1114 O ALA A 76 -3.367 1.165 6.633 1.00 24.42 O ATOM 1115 CB ALA A 76 -5.976 -0.264 5.066 1.00 54.22 C ATOM 0 H ALA A 76 -5.725 -2.378 6.302 1.00 51.20 H new ATOM 0 HA ALA A 76 -3.877 -0.672 5.016 1.00 3.15 H new ATOM 0 HB1 ALA A 76 -5.878 0.731 4.631 1.00 54.22 H new ATOM 0 HB2 ALA A 76 -6.195 -0.984 4.278 1.00 54.22 H new ATOM 0 HB3 ALA A 76 -6.788 -0.264 5.793 1.00 54.22 H new ATOM 1121 N VAL A 77 -5.056 0.405 7.909 1.00 34.42 N ATOM 1122 CA VAL A 77 -4.809 1.348 8.991 1.00 51.42 C ATOM 1123 C VAL A 77 -3.403 1.179 9.557 1.00 73.25 C ATOM 1124 O VAL A 77 -2.674 2.154 9.732 1.00 4.44 O ATOM 1125 CB VAL A 77 -5.831 1.178 10.130 1.00 30.45 C ATOM 1126 CG1 VAL A 77 -5.694 2.302 11.146 1.00 43.21 C ATOM 1127 CG2 VAL A 77 -7.246 1.122 9.571 1.00 11.40 C ATOM 0 H VAL A 77 -5.839 -0.228 8.073 1.00 34.42 H new ATOM 0 HA VAL A 77 -4.911 2.347 8.568 1.00 51.42 H new ATOM 0 HB VAL A 77 -5.627 0.236 10.639 1.00 30.45 H new ATOM 0 HG11 VAL A 77 -6.425 2.163 11.943 1.00 43.21 H new ATOM 0 HG12 VAL A 77 -4.690 2.290 11.569 1.00 43.21 H new ATOM 0 HG13 VAL A 77 -5.869 3.259 10.655 1.00 43.21 H new ATOM 0 HG21 VAL A 77 -7.956 1.002 10.389 1.00 11.40 H new ATOM 0 HG22 VAL A 77 -7.463 2.046 9.036 1.00 11.40 H new ATOM 0 HG23 VAL A 77 -7.334 0.278 8.887 1.00 11.40 H new ATOM 1137 N GLU A 78 -3.030 -0.066 9.838 1.00 42.24 N ATOM 1138 CA GLU A 78 -1.710 -0.361 10.384 1.00 4.11 C ATOM 1139 C GLU A 78 -0.619 -0.073 9.356 1.00 53.43 C ATOM 1140 O GLU A 78 0.504 0.285 9.712 1.00 10.32 O ATOM 1141 CB GLU A 78 -1.633 -1.824 10.828 1.00 45.05 C ATOM 1142 CG GLU A 78 -2.235 -2.076 12.200 1.00 52.43 C ATOM 1143 CD GLU A 78 -1.207 -2.548 13.209 1.00 40.51 C ATOM 1144 OE1 GLU A 78 -0.477 -1.693 13.756 1.00 71.21 O ATOM 1145 OE2 GLU A 78 -1.132 -3.770 13.455 1.00 1.33 O ATOM 0 H GLU A 78 -3.622 -0.885 9.697 1.00 42.24 H new ATOM 0 HA GLU A 78 -1.550 0.283 11.249 1.00 4.11 H new ATOM 0 HB2 GLU A 78 -2.148 -2.445 10.095 1.00 45.05 H new ATOM 0 HB3 GLU A 78 -0.589 -2.138 10.835 1.00 45.05 H new ATOM 0 HG2 GLU A 78 -2.700 -1.159 12.563 1.00 52.43 H new ATOM 0 HG3 GLU A 78 -3.025 -2.822 12.115 1.00 52.43 H new ATOM 1152 N CYS A 79 -0.958 -0.230 8.083 1.00 53.03 N ATOM 1153 CA CYS A 79 -0.008 0.013 7.002 1.00 11.14 C ATOM 1154 C CYS A 79 0.384 1.486 6.943 1.00 12.15 C ATOM 1155 O CYS A 79 1.567 1.822 6.874 1.00 14.10 O ATOM 1156 CB CYS A 79 -0.604 -0.423 5.664 1.00 63.54 C ATOM 1157 SG CYS A 79 0.452 -0.076 4.237 1.00 73.20 S ATOM 0 H CYS A 79 -1.884 -0.525 7.772 1.00 53.03 H new ATOM 0 HA CYS A 79 0.888 -0.575 7.200 1.00 11.14 H new ATOM 0 HB2 CYS A 79 -0.807 -1.493 5.700 1.00 63.54 H new ATOM 0 HB3 CYS A 79 -1.562 0.079 5.524 1.00 63.54 H new ATOM 0 HG CYS A 79 0.108 -0.844 3.246 1.00 73.20 H new ATOM 1163 N LEU A 80 -0.616 2.359 6.971 1.00 45.11 N ATOM 1164 CA LEU A 80 -0.376 3.797 6.919 1.00 73.02 C ATOM 1165 C LEU A 80 0.419 4.262 8.135 1.00 34.41 C ATOM 1166 O LEU A 80 1.415 4.974 8.005 1.00 73.32 O ATOM 1167 CB LEU A 80 -1.705 4.553 6.843 1.00 10.31 C ATOM 1168 CG LEU A 80 -2.700 4.060 5.793 1.00 3.12 C ATOM 1169 CD1 LEU A 80 -4.090 3.927 6.395 1.00 23.11 C ATOM 1170 CD2 LEU A 80 -2.721 5.001 4.597 1.00 72.41 C ATOM 0 H LEU A 80 -1.600 2.097 7.029 1.00 45.11 H new ATOM 0 HA LEU A 80 0.208 4.011 6.024 1.00 73.02 H new ATOM 0 HB2 LEU A 80 -2.185 4.503 7.820 1.00 10.31 H new ATOM 0 HB3 LEU A 80 -1.491 5.604 6.647 1.00 10.31 H new ATOM 0 HG LEU A 80 -2.381 3.076 5.450 1.00 3.12 H new ATOM 0 HD11 LEU A 80 -4.785 3.575 5.632 1.00 23.11 H new ATOM 0 HD12 LEU A 80 -4.063 3.213 7.219 1.00 23.11 H new ATOM 0 HD13 LEU A 80 -4.420 4.897 6.766 1.00 23.11 H new ATOM 0 HD21 LEU A 80 -3.435 4.635 3.859 1.00 72.41 H new ATOM 0 HD22 LEU A 80 -3.016 5.998 4.924 1.00 72.41 H new ATOM 0 HD23 LEU A 80 -1.728 5.044 4.151 1.00 72.41 H new ATOM 1182 N PHE A 81 -0.027 3.852 9.317 1.00 34.01 N ATOM 1183 CA PHE A 81 0.643 4.224 10.558 1.00 13.42 C ATOM 1184 C PHE A 81 2.087 3.729 10.567 1.00 32.42 C ATOM 1185 O PHE A 81 2.997 4.447 10.975 1.00 1.12 O ATOM 1186 CB PHE A 81 -0.111 3.653 11.761 1.00 44.32 C ATOM 1187 CG PHE A 81 -1.063 4.631 12.390 1.00 1.00 C ATOM 1188 CD1 PHE A 81 -2.190 5.057 11.707 1.00 73.22 C ATOM 1189 CD2 PHE A 81 -0.831 5.121 13.665 1.00 44.42 C ATOM 1190 CE1 PHE A 81 -3.066 5.959 12.283 1.00 35.34 C ATOM 1191 CE2 PHE A 81 -1.705 6.022 14.247 1.00 5.21 C ATOM 1192 CZ PHE A 81 -2.824 6.439 13.555 1.00 44.13 C ATOM 0 H PHE A 81 -0.850 3.262 9.442 1.00 34.01 H new ATOM 0 HA PHE A 81 0.650 5.312 10.625 1.00 13.42 H new ATOM 0 HB2 PHE A 81 -0.666 2.769 11.446 1.00 44.32 H new ATOM 0 HB3 PHE A 81 0.610 3.327 12.510 1.00 44.32 H new ATOM 0 HD1 PHE A 81 -2.387 4.681 10.714 1.00 73.22 H new ATOM 0 HD2 PHE A 81 0.042 4.796 14.211 1.00 44.42 H new ATOM 0 HE1 PHE A 81 -3.939 6.288 11.738 1.00 35.34 H new ATOM 0 HE2 PHE A 81 -1.512 6.398 15.241 1.00 5.21 H new ATOM 0 HZ PHE A 81 -3.510 7.140 14.008 1.00 44.13 H new ATOM 1202 N GLU A 82 2.284 2.494 10.114 1.00 51.35 N ATOM 1203 CA GLU A 82 3.615 1.902 10.070 1.00 41.03 C ATOM 1204 C GLU A 82 4.471 2.565 8.996 1.00 3.31 C ATOM 1205 O GLU A 82 5.675 2.753 9.174 1.00 51.34 O ATOM 1206 CB GLU A 82 3.520 0.398 9.807 1.00 22.20 C ATOM 1207 CG GLU A 82 3.062 -0.405 11.012 1.00 45.13 C ATOM 1208 CD GLU A 82 4.218 -0.884 11.869 1.00 64.33 C ATOM 1209 OE1 GLU A 82 4.850 -1.896 11.499 1.00 60.34 O ATOM 1210 OE2 GLU A 82 4.492 -0.247 12.907 1.00 11.11 O ATOM 0 H GLU A 82 1.540 1.886 9.773 1.00 51.35 H new ATOM 0 HA GLU A 82 4.089 2.065 11.038 1.00 41.03 H new ATOM 0 HB2 GLU A 82 2.828 0.225 8.982 1.00 22.20 H new ATOM 0 HB3 GLU A 82 4.495 0.032 9.487 1.00 22.20 H new ATOM 0 HG2 GLU A 82 2.394 0.207 11.619 1.00 45.13 H new ATOM 0 HG3 GLU A 82 2.486 -1.266 10.672 1.00 45.13 H new ATOM 1217 N MET A 83 3.843 2.915 7.879 1.00 52.44 N ATOM 1218 CA MET A 83 4.546 3.559 6.775 1.00 21.24 C ATOM 1219 C MET A 83 4.845 5.019 7.098 1.00 72.14 C ATOM 1220 O MET A 83 5.760 5.615 6.532 1.00 45.33 O ATOM 1221 CB MET A 83 3.719 3.465 5.491 1.00 73.01 C ATOM 1222 CG MET A 83 4.460 3.945 4.254 1.00 62.22 C ATOM 1223 SD MET A 83 3.890 3.136 2.746 1.00 43.42 S ATOM 1224 CE MET A 83 4.293 1.428 3.104 1.00 13.43 C ATOM 0 H MET A 83 2.848 2.764 7.714 1.00 52.44 H new ATOM 0 HA MET A 83 5.492 3.039 6.627 1.00 21.24 H new ATOM 0 HB2 MET A 83 3.412 2.430 5.342 1.00 73.01 H new ATOM 0 HB3 MET A 83 2.809 4.053 5.611 1.00 73.01 H new ATOM 0 HG2 MET A 83 4.332 5.023 4.154 1.00 62.22 H new ATOM 0 HG3 MET A 83 5.527 3.761 4.380 1.00 62.22 H new ATOM 0 HE1 MET A 83 4.445 0.886 2.170 1.00 13.43 H new ATOM 0 HE2 MET A 83 5.205 1.386 3.700 1.00 13.43 H new ATOM 0 HE3 MET A 83 3.475 0.970 3.660 1.00 13.43 H new ATOM 1234 N GLY A 84 4.065 5.590 8.010 1.00 50.33 N ATOM 1235 CA GLY A 84 4.261 6.978 8.391 1.00 32.35 C ATOM 1236 C GLY A 84 3.139 7.875 7.911 1.00 60.53 C ATOM 1237 O GLY A 84 3.350 8.747 7.067 1.00 4.41 O ATOM 0 H GLY A 84 3.301 5.117 8.492 1.00 50.33 H new ATOM 0 HA2 GLY A 84 4.337 7.046 9.476 1.00 32.35 H new ATOM 0 HA3 GLY A 84 5.207 7.334 7.982 1.00 32.35 H new ATOM 1241 N PHE A 85 1.942 7.662 8.445 1.00 21.44 N ATOM 1242 CA PHE A 85 0.781 8.457 8.062 1.00 11.12 C ATOM 1243 C PHE A 85 -0.053 8.823 9.285 1.00 54.31 C ATOM 1244 O PHE A 85 0.209 8.352 10.393 1.00 65.44 O ATOM 1245 CB PHE A 85 -0.080 7.691 7.055 1.00 40.22 C ATOM 1246 CG PHE A 85 0.007 8.234 5.657 1.00 51.24 C ATOM 1247 CD1 PHE A 85 -0.593 9.439 5.330 1.00 31.30 C ATOM 1248 CD2 PHE A 85 0.690 7.540 4.672 1.00 70.53 C ATOM 1249 CE1 PHE A 85 -0.515 9.940 4.044 1.00 62.10 C ATOM 1250 CE2 PHE A 85 0.772 8.036 3.384 1.00 73.13 C ATOM 1251 CZ PHE A 85 0.169 9.239 3.070 1.00 54.34 C ATOM 0 H PHE A 85 1.750 6.945 9.145 1.00 21.44 H new ATOM 0 HA PHE A 85 1.139 9.376 7.598 1.00 11.12 H new ATOM 0 HB2 PHE A 85 0.225 6.645 7.050 1.00 40.22 H new ATOM 0 HB3 PHE A 85 -1.119 7.718 7.383 1.00 40.22 H new ATOM 0 HD1 PHE A 85 -1.127 9.993 6.088 1.00 31.30 H new ATOM 0 HD2 PHE A 85 1.164 6.600 4.913 1.00 70.53 H new ATOM 0 HE1 PHE A 85 -0.989 10.880 3.801 1.00 62.10 H new ATOM 0 HE2 PHE A 85 1.306 7.484 2.625 1.00 73.13 H new ATOM 0 HZ PHE A 85 0.232 9.630 2.065 1.00 54.34 H new ATOM 1261 N GLU A 86 -1.059 9.669 9.078 1.00 0.32 N ATOM 1262 CA GLU A 86 -1.931 10.100 10.165 1.00 24.52 C ATOM 1263 C GLU A 86 -3.397 10.007 9.753 1.00 71.15 C ATOM 1264 O GLU A 86 -3.898 10.850 9.009 1.00 55.31 O ATOM 1265 CB GLU A 86 -1.594 11.534 10.578 1.00 53.12 C ATOM 1266 CG GLU A 86 -2.338 11.999 11.820 1.00 3.12 C ATOM 1267 CD GLU A 86 -1.520 12.958 12.664 1.00 31.40 C ATOM 1268 OE1 GLU A 86 -0.610 13.606 12.108 1.00 53.44 O ATOM 1269 OE2 GLU A 86 -1.792 13.059 13.877 1.00 11.14 O ATOM 0 H GLU A 86 -1.290 10.069 8.168 1.00 0.32 H new ATOM 0 HA GLU A 86 -1.768 9.437 11.015 1.00 24.52 H new ATOM 0 HB2 GLU A 86 -0.521 11.609 10.757 1.00 53.12 H new ATOM 0 HB3 GLU A 86 -1.827 12.206 9.752 1.00 53.12 H new ATOM 0 HG2 GLU A 86 -3.267 12.485 11.522 1.00 3.12 H new ATOM 0 HG3 GLU A 86 -2.610 11.132 12.422 1.00 3.12 H new ATOM 1276 N GLU A 87 -4.080 8.978 10.244 1.00 31.42 N ATOM 1277 CA GLU A 87 -5.489 8.775 9.928 1.00 65.20 C ATOM 1278 C GLU A 87 -6.357 9.824 10.614 1.00 21.53 C ATOM 1279 O GLU A 87 -6.412 9.894 11.841 1.00 72.50 O ATOM 1280 CB GLU A 87 -5.932 7.372 10.350 1.00 51.14 C ATOM 1281 CG GLU A 87 -5.312 6.261 9.520 1.00 53.14 C ATOM 1282 CD GLU A 87 -6.305 5.616 8.572 1.00 54.42 C ATOM 1283 OE1 GLU A 87 -6.797 6.317 7.664 1.00 31.41 O ATOM 1284 OE2 GLU A 87 -6.588 4.411 8.740 1.00 74.34 O ATOM 0 H GLU A 87 -3.680 8.272 10.862 1.00 31.42 H new ATOM 0 HA GLU A 87 -5.612 8.877 8.850 1.00 65.20 H new ATOM 0 HB2 GLU A 87 -5.673 7.219 11.398 1.00 51.14 H new ATOM 0 HB3 GLU A 87 -7.018 7.306 10.277 1.00 51.14 H new ATOM 0 HG2 GLU A 87 -4.477 6.664 8.947 1.00 53.14 H new ATOM 0 HG3 GLU A 87 -4.904 5.500 10.185 1.00 53.14 H new ATOM 1291 N GLY A 88 -7.036 10.639 9.813 1.00 53.21 N ATOM 1292 CA GLY A 88 -7.893 11.675 10.361 1.00 3.13 C ATOM 1293 C GLY A 88 -9.358 11.283 10.345 1.00 41.55 C ATOM 1294 O GLY A 88 -9.689 10.100 10.301 1.00 31.52 O ATOM 0 H GLY A 88 -7.008 10.601 8.794 1.00 53.21 H new ATOM 0 HA2 GLY A 88 -7.589 11.890 11.385 1.00 3.13 H new ATOM 0 HA3 GLY A 88 -7.759 12.593 9.789 1.00 3.13 H new ATOM 1298 N GLU A 89 -10.235 12.281 10.382 1.00 64.15 N ATOM 1299 CA GLU A 89 -11.672 12.035 10.374 1.00 10.25 C ATOM 1300 C GLU A 89 -12.209 11.986 8.946 1.00 25.40 C ATOM 1301 O GLU A 89 -12.988 11.101 8.592 1.00 31.31 O ATOM 1302 CB GLU A 89 -12.402 13.119 11.168 1.00 15.52 C ATOM 1303 CG GLU A 89 -13.135 12.590 12.389 1.00 51.32 C ATOM 1304 CD GLU A 89 -14.052 13.625 13.012 1.00 33.23 C ATOM 1305 OE1 GLU A 89 -14.971 14.099 12.314 1.00 54.34 O ATOM 1306 OE2 GLU A 89 -13.851 13.959 14.199 1.00 21.12 O ATOM 0 H GLU A 89 -9.976 13.267 10.418 1.00 64.15 H new ATOM 0 HA GLU A 89 -11.851 11.068 10.844 1.00 10.25 H new ATOM 0 HB2 GLU A 89 -11.681 13.872 11.486 1.00 15.52 H new ATOM 0 HB3 GLU A 89 -13.117 13.618 10.513 1.00 15.52 H new ATOM 0 HG2 GLU A 89 -13.720 11.715 12.106 1.00 51.32 H new ATOM 0 HG3 GLU A 89 -12.407 12.261 13.131 1.00 51.32 H new ATOM 1313 N THR A 90 -11.785 12.945 8.128 1.00 32.32 N ATOM 1314 CA THR A 90 -12.223 13.013 6.740 1.00 54.43 C ATOM 1315 C THR A 90 -11.047 12.855 5.784 1.00 1.41 C ATOM 1316 O THR A 90 -11.221 12.477 4.625 1.00 55.45 O ATOM 1317 CB THR A 90 -12.937 14.345 6.441 1.00 24.22 C ATOM 1318 OG1 THR A 90 -13.307 14.403 5.060 1.00 62.14 O ATOM 1319 CG2 THR A 90 -12.042 15.527 6.782 1.00 41.15 C ATOM 0 H THR A 90 -11.139 13.685 8.403 1.00 32.32 H new ATOM 0 HA THR A 90 -12.923 12.192 6.589 1.00 54.43 H new ATOM 0 HB THR A 90 -13.833 14.398 7.059 1.00 24.22 H new ATOM 0 HG1 THR A 90 -13.762 15.252 4.879 1.00 62.14 H new ATOM 0 HG21 THR A 90 -12.567 16.456 6.563 1.00 41.15 H new ATOM 0 HG22 THR A 90 -11.786 15.496 7.841 1.00 41.15 H new ATOM 0 HG23 THR A 90 -11.130 15.477 6.187 1.00 41.15 H new ATOM 1327 N HIS A 91 -9.847 13.147 6.276 1.00 51.41 N ATOM 1328 CA HIS A 91 -8.639 13.036 5.465 1.00 41.21 C ATOM 1329 C HIS A 91 -7.445 12.626 6.322 1.00 24.00 C ATOM 1330 O HIS A 91 -7.473 12.753 7.547 1.00 25.41 O ATOM 1331 CB HIS A 91 -8.347 14.363 4.763 1.00 15.32 C ATOM 1332 CG HIS A 91 -8.270 15.531 5.697 1.00 2.00 C ATOM 1333 ND1 HIS A 91 -8.241 15.395 7.070 1.00 75.25 N ATOM 1334 CD2 HIS A 91 -8.215 16.860 5.451 1.00 44.34 C ATOM 1335 CE1 HIS A 91 -8.172 16.592 7.626 1.00 74.54 C ATOM 1336 NE2 HIS A 91 -8.154 17.498 6.664 1.00 74.21 N ATOM 0 H HIS A 91 -9.685 13.462 7.232 1.00 51.41 H new ATOM 0 HA HIS A 91 -8.805 12.265 4.713 1.00 41.21 H new ATOM 0 HB2 HIS A 91 -7.405 14.278 4.222 1.00 15.32 H new ATOM 0 HB3 HIS A 91 -9.124 14.551 4.022 1.00 15.32 H new ATOM 0 HD1 HIS A 91 -8.268 14.510 7.576 1.00 75.25 H new ATOM 0 HD2 HIS A 91 -8.218 17.332 4.479 1.00 44.34 H new ATOM 0 HE1 HIS A 91 -8.136 16.795 8.686 1.00 74.54 H new ATOM 1344 N LEU A 92 -6.397 12.134 5.669 1.00 14.33 N ATOM 1345 CA LEU A 92 -5.192 11.704 6.371 1.00 41.52 C ATOM 1346 C LEU A 92 -4.086 12.748 6.243 1.00 54.05 C ATOM 1347 O LEU A 92 -3.958 13.408 5.212 1.00 71.34 O ATOM 1348 CB LEU A 92 -4.709 10.363 5.820 1.00 42.42 C ATOM 1349 CG LEU A 92 -5.786 9.450 5.236 1.00 33.40 C ATOM 1350 CD1 LEU A 92 -5.178 8.136 4.769 1.00 43.41 C ATOM 1351 CD2 LEU A 92 -6.884 9.197 6.259 1.00 12.13 C ATOM 0 H LEU A 92 -6.357 12.023 4.656 1.00 14.33 H new ATOM 0 HA LEU A 92 -5.437 11.589 7.427 1.00 41.52 H new ATOM 0 HB2 LEU A 92 -3.967 10.557 5.046 1.00 42.42 H new ATOM 0 HB3 LEU A 92 -4.201 9.826 6.621 1.00 42.42 H new ATOM 0 HG LEU A 92 -6.228 9.949 4.374 1.00 33.40 H new ATOM 0 HD11 LEU A 92 -5.961 7.499 4.356 1.00 43.41 H new ATOM 0 HD12 LEU A 92 -4.429 8.334 4.002 1.00 43.41 H new ATOM 0 HD13 LEU A 92 -4.708 7.632 5.614 1.00 43.41 H new ATOM 0 HD21 LEU A 92 -7.642 8.545 5.825 1.00 12.13 H new ATOM 0 HD22 LEU A 92 -6.457 8.720 7.141 1.00 12.13 H new ATOM 0 HD23 LEU A 92 -7.341 10.145 6.544 1.00 12.13 H new ATOM 1363 N ILE A 93 -3.290 12.891 7.299 1.00 65.44 N ATOM 1364 CA ILE A 93 -2.194 13.852 7.301 1.00 14.14 C ATOM 1365 C ILE A 93 -0.845 13.147 7.213 1.00 20.10 C ATOM 1366 O ILE A 93 -0.643 12.091 7.815 1.00 41.41 O ATOM 1367 CB ILE A 93 -2.220 14.729 8.568 1.00 5.21 C ATOM 1368 CG1 ILE A 93 -3.185 15.902 8.382 1.00 23.52 C ATOM 1369 CG2 ILE A 93 -0.822 15.234 8.890 1.00 45.11 C ATOM 1370 CD1 ILE A 93 -4.579 15.478 7.973 1.00 2.05 C ATOM 0 H ILE A 93 -3.384 12.355 8.162 1.00 65.44 H new ATOM 0 HA ILE A 93 -2.327 14.487 6.425 1.00 14.14 H new ATOM 0 HB ILE A 93 -2.569 14.124 9.405 1.00 5.21 H new ATOM 0 HG12 ILE A 93 -3.244 16.465 9.313 1.00 23.52 H new ATOM 0 HG13 ILE A 93 -2.783 16.577 7.626 1.00 23.52 H new ATOM 0 HG21 ILE A 93 -0.856 15.852 9.787 1.00 45.11 H new ATOM 0 HG22 ILE A 93 -0.159 14.386 9.059 1.00 45.11 H new ATOM 0 HG23 ILE A 93 -0.448 15.827 8.055 1.00 45.11 H new ATOM 0 HD11 ILE A 93 -5.209 16.360 7.859 1.00 2.05 H new ATOM 0 HD12 ILE A 93 -4.533 14.941 7.026 1.00 2.05 H new ATOM 0 HD13 ILE A 93 -5.001 14.827 8.739 1.00 2.05 H new ATOM 1382 N PHE A 94 0.077 13.736 6.461 1.00 71.25 N ATOM 1383 CA PHE A 94 1.409 13.165 6.293 1.00 41.11 C ATOM 1384 C PHE A 94 2.367 13.702 7.352 1.00 42.13 C ATOM 1385 O PHE A 94 2.648 14.898 7.422 1.00 64.25 O ATOM 1386 CB PHE A 94 1.947 13.477 4.895 1.00 1.33 C ATOM 1387 CG PHE A 94 2.924 12.453 4.388 1.00 61.02 C ATOM 1388 CD1 PHE A 94 4.241 12.463 4.813 1.00 31.43 C ATOM 1389 CD2 PHE A 94 2.521 11.481 3.486 1.00 73.32 C ATOM 1390 CE1 PHE A 94 5.141 11.522 4.347 1.00 53.22 C ATOM 1391 CE2 PHE A 94 3.416 10.537 3.017 1.00 41.33 C ATOM 1392 CZ PHE A 94 4.726 10.557 3.449 1.00 44.53 C ATOM 0 H PHE A 94 -0.073 14.610 5.957 1.00 71.25 H new ATOM 0 HA PHE A 94 1.333 12.084 6.412 1.00 41.11 H new ATOM 0 HB2 PHE A 94 1.111 13.546 4.199 1.00 1.33 H new ATOM 0 HB3 PHE A 94 2.431 14.454 4.910 1.00 1.33 H new ATOM 0 HD1 PHE A 94 4.570 13.214 5.516 1.00 31.43 H new ATOM 0 HD2 PHE A 94 1.496 11.461 3.146 1.00 73.32 H new ATOM 0 HE1 PHE A 94 6.167 11.541 4.684 1.00 53.22 H new ATOM 0 HE2 PHE A 94 3.090 9.785 2.314 1.00 41.33 H new ATOM 0 HZ PHE A 94 5.426 9.819 3.086 1.00 44.53 H new ATOM 1402 N PRO A 95 2.881 12.796 8.197 1.00 32.23 N ATOM 1403 CA PRO A 95 3.816 13.154 9.269 1.00 62.43 C ATOM 1404 C PRO A 95 5.181 13.572 8.731 1.00 71.12 C ATOM 1405 O PRO A 95 5.739 12.919 7.850 1.00 23.23 O ATOM 1406 CB PRO A 95 3.933 11.864 10.082 1.00 3.52 C ATOM 1407 CG PRO A 95 3.606 10.776 9.118 1.00 10.01 C ATOM 1408 CD PRO A 95 2.589 11.352 8.172 1.00 51.43 C ATOM 0 HA PRO A 95 3.466 14.008 9.848 1.00 62.43 H new ATOM 0 HB2 PRO A 95 4.937 11.743 10.490 1.00 3.52 H new ATOM 0 HB3 PRO A 95 3.244 11.865 10.927 1.00 3.52 H new ATOM 0 HG2 PRO A 95 4.497 10.449 8.582 1.00 10.01 H new ATOM 0 HG3 PRO A 95 3.207 9.903 9.635 1.00 10.01 H new ATOM 0 HD2 PRO A 95 2.693 10.938 7.169 1.00 51.43 H new ATOM 0 HD3 PRO A 95 1.571 11.142 8.500 1.00 51.43 H new ATOM 1416 N LYS A 96 5.715 14.664 9.269 1.00 74.54 N ATOM 1417 CA LYS A 96 7.015 15.168 8.845 1.00 72.53 C ATOM 1418 C LYS A 96 8.123 14.187 9.210 1.00 63.24 C ATOM 1419 O LYS A 96 9.245 14.288 8.710 1.00 31.31 O ATOM 1420 CB LYS A 96 7.291 16.529 9.488 1.00 33.43 C ATOM 1421 CG LYS A 96 7.139 17.697 8.529 1.00 3.43 C ATOM 1422 CD LYS A 96 8.489 18.239 8.093 1.00 52.32 C ATOM 1423 CE LYS A 96 9.172 19.005 9.215 1.00 14.54 C ATOM 1424 NZ LYS A 96 10.656 18.935 9.113 1.00 51.23 N ATOM 0 H LYS A 96 5.267 15.217 10.000 1.00 74.54 H new ATOM 0 HA LYS A 96 6.998 15.282 7.761 1.00 72.53 H new ATOM 0 HB2 LYS A 96 6.611 16.669 10.328 1.00 33.43 H new ATOM 0 HB3 LYS A 96 8.303 16.532 9.893 1.00 33.43 H new ATOM 0 HG2 LYS A 96 6.574 17.379 7.653 1.00 3.43 H new ATOM 0 HG3 LYS A 96 6.565 18.490 9.008 1.00 3.43 H new ATOM 0 HD2 LYS A 96 9.127 17.415 7.773 1.00 52.32 H new ATOM 0 HD3 LYS A 96 8.358 18.894 7.231 1.00 52.32 H new ATOM 0 HE2 LYS A 96 8.855 20.048 9.188 1.00 14.54 H new ATOM 0 HE3 LYS A 96 8.855 18.600 10.176 1.00 14.54 H new ATOM 0 HZ1 LYS A 96 11.083 19.470 9.896 1.00 51.23 H new ATOM 0 HZ2 LYS A 96 10.961 17.942 9.165 1.00 51.23 H new ATOM 0 HZ3 LYS A 96 10.961 19.344 8.207 1.00 51.23 H new ATOM 1438 N LYS A 97 7.804 13.236 10.081 1.00 42.52 N ATOM 1439 CA LYS A 97 8.772 12.235 10.512 1.00 20.51 C ATOM 1440 C LYS A 97 8.875 11.105 9.492 1.00 74.24 C ATOM 1441 O LYS A 97 9.852 10.357 9.477 1.00 74.11 O ATOM 1442 CB LYS A 97 8.379 11.669 11.877 1.00 14.44 C ATOM 1443 CG LYS A 97 8.366 12.707 12.986 1.00 21.30 C ATOM 1444 CD LYS A 97 9.700 13.424 13.092 1.00 52.24 C ATOM 1445 CE LYS A 97 9.666 14.773 12.390 1.00 52.23 C ATOM 1446 NZ LYS A 97 10.736 14.891 11.362 1.00 73.33 N ATOM 0 H LYS A 97 6.881 13.138 10.503 1.00 42.52 H new ATOM 0 HA LYS A 97 9.745 12.719 10.594 1.00 20.51 H new ATOM 0 HB2 LYS A 97 7.390 11.217 11.802 1.00 14.44 H new ATOM 0 HB3 LYS A 97 9.074 10.873 12.144 1.00 14.44 H new ATOM 0 HG2 LYS A 97 7.575 13.433 12.797 1.00 21.30 H new ATOM 0 HG3 LYS A 97 8.135 12.224 13.935 1.00 21.30 H new ATOM 0 HD2 LYS A 97 9.956 13.566 14.142 1.00 52.24 H new ATOM 0 HD3 LYS A 97 10.483 12.805 12.654 1.00 52.24 H new ATOM 0 HE2 LYS A 97 8.693 14.913 11.919 1.00 52.23 H new ATOM 0 HE3 LYS A 97 9.781 15.568 13.126 1.00 52.23 H new ATOM 0 HZ1 LYS A 97 11.165 15.837 11.414 1.00 73.33 H new ATOM 0 HZ2 LYS A 97 11.465 14.170 11.536 1.00 73.33 H new ATOM 0 HZ3 LYS A 97 10.327 14.748 10.417 1.00 73.33 H new ATOM 1460 N ALA A 98 7.862 10.989 8.639 1.00 54.23 N ATOM 1461 CA ALA A 98 7.841 9.953 7.613 1.00 14.31 C ATOM 1462 C ALA A 98 9.061 10.057 6.704 1.00 75.44 C ATOM 1463 O ALA A 98 9.577 11.149 6.464 1.00 63.43 O ATOM 1464 CB ALA A 98 6.561 10.047 6.797 1.00 22.44 C ATOM 0 H ALA A 98 7.045 11.600 8.638 1.00 54.23 H new ATOM 0 HA ALA A 98 7.872 8.983 8.108 1.00 14.31 H new ATOM 0 HB1 ALA A 98 6.558 9.268 6.034 1.00 22.44 H new ATOM 0 HB2 ALA A 98 5.701 9.916 7.453 1.00 22.44 H new ATOM 0 HB3 ALA A 98 6.506 11.024 6.318 1.00 22.44 H new ATOM 1470 N SER A 99 9.516 8.915 6.201 1.00 31.45 N ATOM 1471 CA SER A 99 10.679 8.877 5.322 1.00 22.51 C ATOM 1472 C SER A 99 10.269 8.527 3.894 1.00 60.32 C ATOM 1473 O SER A 99 9.866 7.399 3.609 1.00 74.43 O ATOM 1474 CB SER A 99 11.699 7.858 5.833 1.00 3.42 C ATOM 1475 OG SER A 99 11.144 7.047 6.856 1.00 44.04 O ATOM 0 H SER A 99 9.098 8.004 6.387 1.00 31.45 H new ATOM 0 HA SER A 99 11.134 9.868 5.321 1.00 22.51 H new ATOM 0 HB2 SER A 99 12.034 7.229 5.008 1.00 3.42 H new ATOM 0 HB3 SER A 99 12.578 8.378 6.214 1.00 3.42 H new ATOM 0 HG SER A 99 11.816 6.403 7.164 1.00 44.04 H new ATOM 1481 N VAL A 100 10.373 9.506 2.999 1.00 75.10 N ATOM 1482 CA VAL A 100 10.014 9.303 1.601 1.00 3.31 C ATOM 1483 C VAL A 100 10.947 8.298 0.934 1.00 14.33 C ATOM 1484 O VAL A 100 10.609 7.713 -0.096 1.00 40.52 O ATOM 1485 CB VAL A 100 10.057 10.627 0.814 1.00 4.13 C ATOM 1486 CG1 VAL A 100 9.149 11.662 1.461 1.00 24.41 C ATOM 1487 CG2 VAL A 100 11.484 11.143 0.719 1.00 62.21 C ATOM 0 H VAL A 100 10.703 10.446 3.218 1.00 75.10 H new ATOM 0 HA VAL A 100 8.996 8.913 1.588 1.00 3.31 H new ATOM 0 HB VAL A 100 9.694 10.441 -0.197 1.00 4.13 H new ATOM 0 HG11 VAL A 100 9.192 12.591 0.892 1.00 24.41 H new ATOM 0 HG12 VAL A 100 8.124 11.291 1.472 1.00 24.41 H new ATOM 0 HG13 VAL A 100 9.479 11.847 2.483 1.00 24.41 H new ATOM 0 HG21 VAL A 100 11.496 12.079 0.160 1.00 62.21 H new ATOM 0 HG22 VAL A 100 11.877 11.314 1.721 1.00 62.21 H new ATOM 0 HG23 VAL A 100 12.104 10.407 0.207 1.00 62.21 H new ATOM 1497 N GLU A 101 12.119 8.102 1.528 1.00 60.03 N ATOM 1498 CA GLU A 101 13.101 7.166 0.990 1.00 54.12 C ATOM 1499 C GLU A 101 12.645 5.724 1.194 1.00 4.13 C ATOM 1500 O GLU A 101 12.773 4.891 0.297 1.00 14.04 O ATOM 1501 CB GLU A 101 14.462 7.383 1.656 1.00 73.24 C ATOM 1502 CG GLU A 101 15.136 8.683 1.253 1.00 62.20 C ATOM 1503 CD GLU A 101 16.609 8.713 1.614 1.00 44.21 C ATOM 1504 OE1 GLU A 101 17.057 7.812 2.353 1.00 64.32 O ATOM 1505 OE2 GLU A 101 17.312 9.637 1.156 1.00 43.34 O ATOM 0 H GLU A 101 12.413 8.578 2.381 1.00 60.03 H new ATOM 0 HA GLU A 101 13.195 7.351 -0.080 1.00 54.12 H new ATOM 0 HB2 GLU A 101 14.334 7.370 2.738 1.00 73.24 H new ATOM 0 HB3 GLU A 101 15.118 6.550 1.403 1.00 73.24 H new ATOM 0 HG2 GLU A 101 15.026 8.827 0.178 1.00 62.20 H new ATOM 0 HG3 GLU A 101 14.629 9.517 1.740 1.00 62.20 H new ATOM 1512 N GLN A 102 12.118 5.438 2.379 1.00 71.05 N ATOM 1513 CA GLN A 102 11.645 4.097 2.701 1.00 41.32 C ATOM 1514 C GLN A 102 10.307 3.814 2.026 1.00 51.21 C ATOM 1515 O GLN A 102 10.022 2.679 1.643 1.00 73.44 O ATOM 1516 CB GLN A 102 11.511 3.931 4.216 1.00 35.53 C ATOM 1517 CG GLN A 102 10.158 4.367 4.757 1.00 3.55 C ATOM 1518 CD GLN A 102 9.120 3.264 4.691 1.00 64.22 C ATOM 1519 OE1 GLN A 102 9.378 2.127 5.089 1.00 24.24 O ATOM 1520 NE2 GLN A 102 7.938 3.593 4.185 1.00 73.20 N ATOM 0 H GLN A 102 12.008 6.117 3.132 1.00 71.05 H new ATOM 0 HA GLN A 102 12.377 3.381 2.327 1.00 41.32 H new ATOM 0 HB2 GLN A 102 11.677 2.885 4.475 1.00 35.53 H new ATOM 0 HB3 GLN A 102 12.293 4.509 4.707 1.00 35.53 H new ATOM 0 HG2 GLN A 102 10.272 4.692 5.791 1.00 3.55 H new ATOM 0 HG3 GLN A 102 9.804 5.228 4.190 1.00 3.55 H new ATOM 0 HE21 GLN A 102 7.767 4.547 3.867 1.00 73.20 H new ATOM 0 HE22 GLN A 102 7.201 2.892 4.114 1.00 73.20 H new ATOM 1529 N LEU A 103 9.492 4.852 1.883 1.00 14.31 N ATOM 1530 CA LEU A 103 8.182 4.716 1.253 1.00 32.45 C ATOM 1531 C LEU A 103 8.319 4.232 -0.186 1.00 22.32 C ATOM 1532 O LEU A 103 7.476 3.484 -0.681 1.00 20.31 O ATOM 1533 CB LEU A 103 7.437 6.051 1.286 1.00 43.02 C ATOM 1534 CG LEU A 103 5.990 6.000 1.778 1.00 52.44 C ATOM 1535 CD1 LEU A 103 5.558 7.358 2.308 1.00 44.03 C ATOM 1536 CD2 LEU A 103 5.062 5.543 0.661 1.00 2.21 C ATOM 0 H LEU A 103 9.714 5.798 2.194 1.00 14.31 H new ATOM 0 HA LEU A 103 7.611 3.976 1.813 1.00 32.45 H new ATOM 0 HB2 LEU A 103 7.993 6.739 1.924 1.00 43.02 H new ATOM 0 HB3 LEU A 103 7.443 6.473 0.281 1.00 43.02 H new ATOM 0 HG LEU A 103 5.929 5.278 2.593 1.00 52.44 H new ATOM 0 HD11 LEU A 103 4.526 7.302 2.654 1.00 44.03 H new ATOM 0 HD12 LEU A 103 6.203 7.647 3.138 1.00 44.03 H new ATOM 0 HD13 LEU A 103 5.635 8.100 1.513 1.00 44.03 H new ATOM 0 HD21 LEU A 103 4.037 5.513 1.029 1.00 2.21 H new ATOM 0 HD22 LEU A 103 5.127 6.240 -0.174 1.00 2.21 H new ATOM 0 HD23 LEU A 103 5.357 4.548 0.327 1.00 2.21 H new ATOM 1548 N GLN A 104 9.385 4.662 -0.853 1.00 13.41 N ATOM 1549 CA GLN A 104 9.632 4.272 -2.235 1.00 21.33 C ATOM 1550 C GLN A 104 10.019 2.799 -2.322 1.00 61.13 C ATOM 1551 O GLN A 104 9.492 2.055 -3.150 1.00 33.40 O ATOM 1552 CB GLN A 104 10.735 5.138 -2.844 1.00 24.22 C ATOM 1553 CG GLN A 104 10.491 5.499 -4.301 1.00 1.14 C ATOM 1554 CD GLN A 104 11.771 5.838 -5.039 1.00 74.21 C ATOM 1555 OE1 GLN A 104 12.415 6.850 -4.756 1.00 31.32 O ATOM 1556 NE2 GLN A 104 12.148 4.992 -5.992 1.00 53.45 N ATOM 0 H GLN A 104 10.092 5.282 -0.457 1.00 13.41 H new ATOM 0 HA GLN A 104 8.711 4.422 -2.799 1.00 21.33 H new ATOM 0 HB2 GLN A 104 10.829 6.055 -2.262 1.00 24.22 H new ATOM 0 HB3 GLN A 104 11.686 4.611 -2.763 1.00 24.22 H new ATOM 0 HG2 GLN A 104 9.998 4.665 -4.801 1.00 1.14 H new ATOM 0 HG3 GLN A 104 9.810 6.349 -4.352 1.00 1.14 H new ATOM 0 HE21 GLN A 104 11.584 4.166 -6.193 1.00 53.45 H new ATOM 0 HE22 GLN A 104 13.001 5.169 -6.522 1.00 53.45 H new ATOM 1565 N LYS A 105 10.945 2.383 -1.465 1.00 23.32 N ATOM 1566 CA LYS A 105 11.404 0.999 -1.445 1.00 0.23 C ATOM 1567 C LYS A 105 10.229 0.040 -1.282 1.00 12.35 C ATOM 1568 O LYS A 105 10.125 -0.955 -2.001 1.00 35.42 O ATOM 1569 CB LYS A 105 12.408 0.791 -0.308 1.00 65.42 C ATOM 1570 CG LYS A 105 13.818 1.240 -0.652 1.00 31.53 C ATOM 1571 CD LYS A 105 14.735 1.171 0.556 1.00 13.42 C ATOM 1572 CE LYS A 105 15.414 -0.187 0.666 1.00 52.45 C ATOM 1573 NZ LYS A 105 16.875 -0.098 0.393 1.00 61.32 N ATOM 0 H LYS A 105 11.393 2.985 -0.774 1.00 23.32 H new ATOM 0 HA LYS A 105 11.893 0.789 -2.396 1.00 0.23 H new ATOM 0 HB2 LYS A 105 12.066 1.337 0.572 1.00 65.42 H new ATOM 0 HB3 LYS A 105 12.427 -0.265 -0.040 1.00 65.42 H new ATOM 0 HG2 LYS A 105 14.217 0.612 -1.449 1.00 31.53 H new ATOM 0 HG3 LYS A 105 13.793 2.261 -1.033 1.00 31.53 H new ATOM 0 HD2 LYS A 105 15.492 1.952 0.484 1.00 13.42 H new ATOM 0 HD3 LYS A 105 14.160 1.366 1.462 1.00 13.42 H new ATOM 0 HE2 LYS A 105 15.255 -0.593 1.665 1.00 52.45 H new ATOM 0 HE3 LYS A 105 14.954 -0.881 -0.037 1.00 52.45 H new ATOM 0 HZ1 LYS A 105 17.302 -1.042 0.477 1.00 61.32 H new ATOM 0 HZ2 LYS A 105 17.027 0.266 -0.569 1.00 61.32 H new ATOM 0 HZ3 LYS A 105 17.318 0.545 1.080 1.00 61.32 H new ATOM 1587 N ILE A 106 9.349 0.344 -0.335 1.00 11.20 N ATOM 1588 CA ILE A 106 8.181 -0.491 -0.081 1.00 14.25 C ATOM 1589 C ILE A 106 7.136 -0.321 -1.177 1.00 74.01 C ATOM 1590 O ILE A 106 6.447 -1.274 -1.546 1.00 44.25 O ATOM 1591 CB ILE A 106 7.540 -0.164 1.281 1.00 63.01 C ATOM 1592 CG1 ILE A 106 6.361 -1.100 1.551 1.00 74.21 C ATOM 1593 CG2 ILE A 106 7.090 1.289 1.318 1.00 2.14 C ATOM 1594 CD1 ILE A 106 6.037 -1.254 3.021 1.00 10.41 C ATOM 0 H ILE A 106 9.422 1.162 0.269 1.00 11.20 H new ATOM 0 HA ILE A 106 8.528 -1.524 -0.070 1.00 14.25 H new ATOM 0 HB ILE A 106 8.284 -0.314 2.063 1.00 63.01 H new ATOM 0 HG12 ILE A 106 5.481 -0.722 1.031 1.00 74.21 H new ATOM 0 HG13 ILE A 106 6.583 -2.081 1.131 1.00 74.21 H new ATOM 0 HG21 ILE A 106 6.639 1.506 2.286 1.00 2.14 H new ATOM 0 HG22 ILE A 106 7.950 1.940 1.165 1.00 2.14 H new ATOM 0 HG23 ILE A 106 6.358 1.463 0.530 1.00 2.14 H new ATOM 0 HD11 ILE A 106 5.191 -1.931 3.138 1.00 10.41 H new ATOM 0 HD12 ILE A 106 6.903 -1.661 3.544 1.00 10.41 H new ATOM 0 HD13 ILE A 106 5.784 -0.281 3.442 1.00 10.41 H new ATOM 1606 N ARG A 107 7.020 0.898 -1.694 1.00 45.11 N ATOM 1607 CA ARG A 107 6.059 1.193 -2.750 1.00 41.34 C ATOM 1608 C ARG A 107 6.345 0.360 -3.995 1.00 23.53 C ATOM 1609 O ARG A 107 5.431 0.003 -4.738 1.00 1.41 O ATOM 1610 CB ARG A 107 6.095 2.682 -3.100 1.00 35.31 C ATOM 1611 CG ARG A 107 5.477 3.006 -4.451 1.00 0.24 C ATOM 1612 CD ARG A 107 6.540 3.361 -5.478 1.00 34.12 C ATOM 1613 NE ARG A 107 6.804 2.256 -6.397 1.00 73.32 N ATOM 1614 CZ ARG A 107 7.619 2.348 -7.441 1.00 72.31 C ATOM 1615 NH1 ARG A 107 8.247 3.487 -7.698 1.00 4.25 N ATOM 1616 NH2 ARG A 107 7.807 1.300 -8.232 1.00 22.44 N ATOM 0 H ARG A 107 7.580 1.698 -1.398 1.00 45.11 H new ATOM 0 HA ARG A 107 5.065 0.936 -2.384 1.00 41.34 H new ATOM 0 HB2 ARG A 107 5.569 3.241 -2.326 1.00 35.31 H new ATOM 0 HB3 ARG A 107 7.130 3.023 -3.092 1.00 35.31 H new ATOM 0 HG2 ARG A 107 4.900 2.151 -4.803 1.00 0.24 H new ATOM 0 HG3 ARG A 107 4.781 3.838 -4.344 1.00 0.24 H new ATOM 0 HD2 ARG A 107 6.219 4.235 -6.045 1.00 34.12 H new ATOM 0 HD3 ARG A 107 7.462 3.635 -4.965 1.00 34.12 H new ATOM 0 HE ARG A 107 6.337 1.365 -6.227 1.00 73.32 H new ATOM 0 HH11 ARG A 107 8.105 4.296 -7.093 1.00 4.25 H new ATOM 0 HH12 ARG A 107 8.873 3.555 -8.501 1.00 4.25 H new ATOM 0 HH21 ARG A 107 7.325 0.422 -8.039 1.00 22.44 H new ATOM 0 HH22 ARG A 107 8.433 1.372 -9.034 1.00 22.44 H new ATOM 1630 N ASP A 108 7.619 0.054 -4.216 1.00 72.10 N ATOM 1631 CA ASP A 108 8.026 -0.738 -5.371 1.00 14.14 C ATOM 1632 C ASP A 108 7.414 -2.135 -5.315 1.00 73.42 C ATOM 1633 O ASP A 108 7.061 -2.712 -6.345 1.00 12.42 O ATOM 1634 CB ASP A 108 9.550 -0.838 -5.436 1.00 42.05 C ATOM 1635 CG ASP A 108 10.048 -1.195 -6.823 1.00 43.10 C ATOM 1636 OD1 ASP A 108 9.966 -2.385 -7.194 1.00 4.21 O ATOM 1637 OD2 ASP A 108 10.519 -0.286 -7.537 1.00 62.00 O ATOM 0 H ASP A 108 8.388 0.342 -3.611 1.00 72.10 H new ATOM 0 HA ASP A 108 7.664 -0.238 -6.269 1.00 14.14 H new ATOM 0 HB2 ASP A 108 9.987 0.112 -5.130 1.00 42.05 H new ATOM 0 HB3 ASP A 108 9.893 -1.590 -4.725 1.00 42.05 H new ATOM 1642 N LEU A 109 7.293 -2.673 -4.107 1.00 74.23 N ATOM 1643 CA LEU A 109 6.725 -4.004 -3.916 1.00 75.20 C ATOM 1644 C LEU A 109 5.281 -4.055 -4.405 1.00 72.34 C ATOM 1645 O LEU A 109 4.889 -4.977 -5.121 1.00 1.12 O ATOM 1646 CB LEU A 109 6.790 -4.400 -2.441 1.00 34.03 C ATOM 1647 CG LEU A 109 7.822 -5.468 -2.077 1.00 2.11 C ATOM 1648 CD1 LEU A 109 7.587 -6.734 -2.885 1.00 33.43 C ATOM 1649 CD2 LEU A 109 9.233 -4.944 -2.304 1.00 34.23 C ATOM 0 H LEU A 109 7.580 -2.209 -3.245 1.00 74.23 H new ATOM 0 HA LEU A 109 7.313 -4.711 -4.502 1.00 75.20 H new ATOM 0 HB2 LEU A 109 7.000 -3.506 -1.854 1.00 34.03 H new ATOM 0 HB3 LEU A 109 5.806 -4.756 -2.138 1.00 34.03 H new ATOM 0 HG LEU A 109 7.710 -5.709 -1.020 1.00 2.11 H new ATOM 0 HD11 LEU A 109 8.331 -7.483 -2.613 1.00 33.43 H new ATOM 0 HD12 LEU A 109 6.590 -7.120 -2.675 1.00 33.43 H new ATOM 0 HD13 LEU A 109 7.672 -6.508 -3.948 1.00 33.43 H new ATOM 0 HD21 LEU A 109 9.955 -5.717 -2.040 1.00 34.23 H new ATOM 0 HD22 LEU A 109 9.357 -4.675 -3.353 1.00 34.23 H new ATOM 0 HD23 LEU A 109 9.399 -4.065 -1.682 1.00 34.23 H new ATOM 1661 N ILE A 110 4.494 -3.056 -4.016 1.00 10.12 N ATOM 1662 CA ILE A 110 3.095 -2.986 -4.417 1.00 12.10 C ATOM 1663 C ILE A 110 2.965 -2.655 -5.901 1.00 33.23 C ATOM 1664 O ILE A 110 2.080 -3.167 -6.585 1.00 32.44 O ATOM 1665 CB ILE A 110 2.327 -1.931 -3.599 1.00 21.40 C ATOM 1666 CG1 ILE A 110 2.314 -2.315 -2.117 1.00 44.05 C ATOM 1667 CG2 ILE A 110 0.907 -1.784 -4.126 1.00 54.21 C ATOM 1668 CD1 ILE A 110 3.540 -1.850 -1.362 1.00 61.22 C ATOM 0 H ILE A 110 4.802 -2.285 -3.424 1.00 10.12 H new ATOM 0 HA ILE A 110 2.662 -3.968 -4.226 1.00 12.10 H new ATOM 0 HB ILE A 110 2.833 -0.971 -3.703 1.00 21.40 H new ATOM 0 HG12 ILE A 110 1.426 -1.891 -1.648 1.00 44.05 H new ATOM 0 HG13 ILE A 110 2.234 -3.399 -2.031 1.00 44.05 H new ATOM 0 HG21 ILE A 110 0.376 -1.035 -3.538 1.00 54.21 H new ATOM 0 HG22 ILE A 110 0.937 -1.472 -5.170 1.00 54.21 H new ATOM 0 HG23 ILE A 110 0.389 -2.740 -4.048 1.00 54.21 H new ATOM 0 HD11 ILE A 110 3.463 -2.157 -0.319 1.00 61.22 H new ATOM 0 HD12 ILE A 110 4.431 -2.294 -1.806 1.00 61.22 H new ATOM 0 HD13 ILE A 110 3.611 -0.764 -1.417 1.00 61.22 H new ATOM 1680 N ALA A 111 3.853 -1.797 -6.391 1.00 53.41 N ATOM 1681 CA ALA A 111 3.840 -1.401 -7.793 1.00 31.24 C ATOM 1682 C ALA A 111 3.998 -2.611 -8.706 1.00 25.01 C ATOM 1683 O ALA A 111 3.263 -2.766 -9.682 1.00 52.13 O ATOM 1684 CB ALA A 111 4.939 -0.384 -8.065 1.00 15.11 C ATOM 0 H ALA A 111 4.591 -1.363 -5.837 1.00 53.41 H new ATOM 0 HA ALA A 111 2.875 -0.941 -8.006 1.00 31.24 H new ATOM 0 HB1 ALA A 111 4.917 -0.097 -9.116 1.00 15.11 H new ATOM 0 HB2 ALA A 111 4.780 0.498 -7.445 1.00 15.11 H new ATOM 0 HB3 ALA A 111 5.908 -0.824 -7.829 1.00 15.11 H new ATOM 1690 N ILE A 112 4.963 -3.468 -8.385 1.00 53.13 N ATOM 1691 CA ILE A 112 5.217 -4.664 -9.177 1.00 1.12 C ATOM 1692 C ILE A 112 4.147 -5.722 -8.933 1.00 22.43 C ATOM 1693 O ILE A 112 3.744 -6.435 -9.852 1.00 4.10 O ATOM 1694 CB ILE A 112 6.599 -5.265 -8.861 1.00 63.12 C ATOM 1695 CG1 ILE A 112 6.882 -6.458 -9.777 1.00 1.24 C ATOM 1696 CG2 ILE A 112 6.674 -5.682 -7.400 1.00 44.51 C ATOM 1697 CD1 ILE A 112 6.843 -6.113 -11.248 1.00 65.23 C ATOM 0 H ILE A 112 5.581 -3.355 -7.582 1.00 53.13 H new ATOM 0 HA ILE A 112 5.193 -4.361 -10.224 1.00 1.12 H new ATOM 0 HB ILE A 112 7.359 -4.505 -9.041 1.00 63.12 H new ATOM 0 HG12 ILE A 112 7.863 -6.867 -9.534 1.00 1.24 H new ATOM 0 HG13 ILE A 112 6.151 -7.241 -9.576 1.00 1.24 H new ATOM 0 HG21 ILE A 112 7.657 -6.105 -7.192 1.00 44.51 H new ATOM 0 HG22 ILE A 112 6.512 -4.811 -6.764 1.00 44.51 H new ATOM 0 HG23 ILE A 112 5.907 -6.429 -7.195 1.00 44.51 H new ATOM 0 HD11 ILE A 112 7.052 -7.006 -11.837 1.00 65.23 H new ATOM 0 HD12 ILE A 112 5.855 -5.732 -11.506 1.00 65.23 H new ATOM 0 HD13 ILE A 112 7.593 -5.352 -11.463 1.00 65.23 H new ATOM 1709 N GLU A 113 3.689 -5.817 -7.689 1.00 11.22 N ATOM 1710 CA GLU A 113 2.664 -6.788 -7.325 1.00 14.25 C ATOM 1711 C GLU A 113 1.368 -6.523 -8.086 1.00 52.52 C ATOM 1712 O GLU A 113 0.640 -7.452 -8.435 1.00 40.44 O ATOM 1713 CB GLU A 113 2.401 -6.745 -5.817 1.00 65.13 C ATOM 1714 CG GLU A 113 1.631 -7.947 -5.300 1.00 11.14 C ATOM 1715 CD GLU A 113 2.498 -9.186 -5.173 1.00 53.32 C ATOM 1716 OE1 GLU A 113 3.670 -9.050 -4.763 1.00 13.24 O ATOM 1717 OE2 GLU A 113 2.004 -10.290 -5.482 1.00 31.11 O ATOM 0 H GLU A 113 4.011 -5.234 -6.917 1.00 11.22 H new ATOM 0 HA GLU A 113 3.027 -7.779 -7.595 1.00 14.25 H new ATOM 0 HB2 GLU A 113 3.354 -6.681 -5.292 1.00 65.13 H new ATOM 0 HB3 GLU A 113 1.845 -5.838 -5.579 1.00 65.13 H new ATOM 0 HG2 GLU A 113 1.202 -7.708 -4.327 1.00 11.14 H new ATOM 0 HG3 GLU A 113 0.799 -8.158 -5.972 1.00 11.14 H new ATOM 1724 N ARG A 114 1.087 -5.248 -8.337 1.00 41.14 N ATOM 1725 CA ARG A 114 -0.121 -4.859 -9.054 1.00 63.31 C ATOM 1726 C ARG A 114 -0.190 -5.545 -10.415 1.00 31.02 C ATOM 1727 O ARG A 114 -1.213 -6.124 -10.779 1.00 42.21 O ATOM 1728 CB ARG A 114 -0.168 -3.341 -9.232 1.00 72.22 C ATOM 1729 CG ARG A 114 -0.630 -2.595 -7.991 1.00 63.22 C ATOM 1730 CD ARG A 114 0.165 -1.316 -7.782 1.00 3.44 C ATOM 1731 NE ARG A 114 -0.688 -0.131 -7.802 1.00 13.53 N ATOM 1732 CZ ARG A 114 -1.121 0.443 -8.918 1.00 52.45 C ATOM 1733 NH1 ARG A 114 -0.783 -0.057 -10.100 1.00 1.33 N ATOM 1734 NH2 ARG A 114 -1.894 1.519 -8.856 1.00 2.00 N ATOM 0 H ARG A 114 1.680 -4.467 -8.054 1.00 41.14 H new ATOM 0 HA ARG A 114 -0.981 -5.175 -8.464 1.00 63.31 H new ATOM 0 HB2 ARG A 114 0.824 -2.986 -9.511 1.00 72.22 H new ATOM 0 HB3 ARG A 114 -0.836 -3.101 -10.059 1.00 72.22 H new ATOM 0 HG2 ARG A 114 -1.689 -2.355 -8.082 1.00 63.22 H new ATOM 0 HG3 ARG A 114 -0.523 -3.238 -7.118 1.00 63.22 H new ATOM 0 HD2 ARG A 114 0.691 -1.368 -6.829 1.00 3.44 H new ATOM 0 HD3 ARG A 114 0.924 -1.230 -8.560 1.00 3.44 H new ATOM 0 HE ARG A 114 -0.966 0.278 -6.910 1.00 13.53 H new ATOM 0 HH11 ARG A 114 -0.189 -0.885 -10.153 1.00 1.33 H new ATOM 0 HH12 ARG A 114 -1.117 0.386 -10.956 1.00 1.33 H new ATOM 0 HH21 ARG A 114 -2.157 1.907 -7.950 1.00 2.00 H new ATOM 0 HH22 ARG A 114 -2.226 1.959 -9.714 1.00 2.00 H new ATOM 1748 N SER A 115 0.906 -5.474 -11.164 1.00 44.43 N ATOM 1749 CA SER A 115 0.969 -6.083 -12.487 1.00 4.53 C ATOM 1750 C SER A 115 1.053 -7.602 -12.382 1.00 15.22 C ATOM 1751 O SER A 115 0.537 -8.325 -13.234 1.00 62.02 O ATOM 1752 CB SER A 115 2.174 -5.546 -13.262 1.00 33.23 C ATOM 1753 OG SER A 115 2.645 -4.335 -12.697 1.00 73.15 O ATOM 0 H SER A 115 1.763 -5.001 -10.877 1.00 44.43 H new ATOM 0 HA SER A 115 0.056 -5.823 -13.023 1.00 4.53 H new ATOM 0 HB2 SER A 115 2.973 -6.288 -13.258 1.00 33.23 H new ATOM 0 HB3 SER A 115 1.897 -5.382 -14.303 1.00 33.23 H new ATOM 0 HG SER A 115 3.416 -4.013 -13.209 1.00 73.15 H new ATOM 1759 N SER A 116 1.708 -8.081 -11.328 1.00 13.31 N ATOM 1760 CA SER A 116 1.864 -9.514 -11.112 1.00 61.50 C ATOM 1761 C SER A 116 0.508 -10.183 -10.907 1.00 12.04 C ATOM 1762 O SER A 116 0.284 -11.308 -11.357 1.00 52.14 O ATOM 1763 CB SER A 116 2.761 -9.774 -9.901 1.00 64.21 C ATOM 1764 OG SER A 116 3.804 -10.678 -10.223 1.00 2.34 O ATOM 0 H SER A 116 2.139 -7.497 -10.611 1.00 13.31 H new ATOM 0 HA SER A 116 2.331 -9.941 -11.999 1.00 61.50 H new ATOM 0 HB2 SER A 116 3.186 -8.833 -9.551 1.00 64.21 H new ATOM 0 HB3 SER A 116 2.165 -10.178 -9.083 1.00 64.21 H new ATOM 0 HG SER A 116 4.364 -10.826 -9.433 1.00 2.34 H new ATOM 1770 N ARG A 117 -0.393 -9.484 -10.225 1.00 11.45 N ATOM 1771 CA ARG A 117 -1.726 -10.011 -9.959 1.00 13.52 C ATOM 1772 C ARG A 117 -2.624 -9.861 -11.184 1.00 12.41 C ATOM 1773 O ARG A 117 -3.570 -10.626 -11.370 1.00 24.20 O ATOM 1774 CB ARG A 117 -2.352 -9.290 -8.762 1.00 31.33 C ATOM 1775 CG ARG A 117 -3.697 -9.861 -8.343 1.00 33.41 C ATOM 1776 CD ARG A 117 -3.583 -10.671 -7.061 1.00 23.21 C ATOM 1777 NE ARG A 117 -3.470 -12.103 -7.327 1.00 51.41 N ATOM 1778 CZ ARG A 117 -4.484 -12.858 -7.733 1.00 12.53 C ATOM 1779 NH1 ARG A 117 -5.682 -12.320 -7.918 1.00 23.43 N ATOM 1780 NH2 ARG A 117 -4.301 -14.153 -7.953 1.00 33.45 N ATOM 0 H ARG A 117 -0.224 -8.552 -9.847 1.00 11.45 H new ATOM 0 HA ARG A 117 -1.632 -11.072 -9.727 1.00 13.52 H new ATOM 0 HB2 ARG A 117 -1.665 -9.343 -7.917 1.00 31.33 H new ATOM 0 HB3 ARG A 117 -2.475 -8.235 -9.008 1.00 31.33 H new ATOM 0 HG2 ARG A 117 -4.410 -9.049 -8.199 1.00 33.41 H new ATOM 0 HG3 ARG A 117 -4.090 -10.492 -9.140 1.00 33.41 H new ATOM 0 HD2 ARG A 117 -2.712 -10.337 -6.497 1.00 23.21 H new ATOM 0 HD3 ARG A 117 -4.457 -10.486 -6.436 1.00 23.21 H new ATOM 0 HE ARG A 117 -2.562 -12.548 -7.193 1.00 51.41 H new ATOM 0 HH11 ARG A 117 -5.826 -11.325 -7.748 1.00 23.43 H new ATOM 0 HH12 ARG A 117 -6.460 -12.902 -8.230 1.00 23.43 H new ATOM 0 HH21 ARG A 117 -3.381 -14.570 -7.810 1.00 33.45 H new ATOM 0 HH22 ARG A 117 -5.080 -14.732 -8.265 1.00 33.45 H new