USER MOD reduce.3.24.130724 H: found=0, std=0, add=787, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 786 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 90 GLN : amide:sc= -6.48! C(o=-6!,f=-14!) USER MOD Set 1.2: A 108 THR OG1 : rot 18:sc= 0.447 USER MOD Set 2.1: A 29 SER OG : rot 150:sc= -0.0683 USER MOD Set 2.2: A 37 ASN : amide:sc= -0.0369 X(o=-0.11,f=-0.23) USER MOD Set 3.1: A 16 GLN : amide:sc= -4.36! C(o=-4.4!,f=-14!) USER MOD Set 3.2: A 47 ASN : amide:sc=-0.00027 X(o=-4.4,f=-4.4) USER MOD Single : A 19 HIS : no HD1:sc= 0 X(o=0,f=-0.0069) USER MOD Single : A 23 HIS : no HD1:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 180:sc= -0.486 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 SER OG : rot 180:sc= -0.589 USER MOD Single : A 53 TYR OH : rot 90:sc= -4.05! USER MOD Single : A 57 MET CE :methyl 161:sc= -0.0319 (180deg=-0.398) USER MOD Single : A 58 SER OG : rot 73:sc= 0.509 USER MOD Single : A 60 ASN : amide:sc= -2.36 X(o=-2.4,f=-1.9!) USER MOD Single : A 61 ASN : amide:sc=-0.000124 X(o=-0.00012,f=-0.013) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 THR OG1 : rot 51:sc= 0.0387 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 89 TYR OH : rot 66:sc= 0.932 USER MOD Single : A 94 CYS SG : rot -120:sc= -2.6! USER MOD Single : A 97 ASN : amide:sc= -3.31! C(o=-3.3!,f=-16!) USER MOD Single : A 101 LYS NZ :NH3+ -144:sc= -0.0109 (180deg=-0.256) USER MOD Single : A 103 GLN : amide:sc= -0.276 K(o=-0.28,f=-2.1!) USER MOD Single : A 105 SER OG : rot 160:sc= -1.03 USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 211 N GLN A 16 17.947 -15.023 0.994 1.00 0.00 N ATOM 212 CA GLN A 16 16.854 -15.461 0.144 1.00 0.00 C ATOM 213 C GLN A 16 15.890 -14.303 -0.121 1.00 0.00 C ATOM 214 O GLN A 16 15.961 -13.268 0.540 1.00 0.00 O ATOM 215 CB GLN A 16 16.121 -16.653 0.763 1.00 0.00 C ATOM 216 CG GLN A 16 15.504 -16.276 2.111 1.00 0.00 C ATOM 217 CD GLN A 16 16.415 -16.694 3.267 1.00 0.00 C ATOM 218 OE1 GLN A 16 16.933 -15.876 4.010 1.00 0.00 O ATOM 219 NE2 GLN A 16 16.582 -18.009 3.377 1.00 0.00 N ATOM 0 HA GLN A 16 17.270 -15.787 -0.809 1.00 0.00 H new ATOM 0 HB2 GLN A 16 15.340 -16.997 0.085 1.00 0.00 H new ATOM 0 HB3 GLN A 16 16.815 -17.483 0.896 1.00 0.00 H new ATOM 0 HG2 GLN A 16 15.333 -15.200 2.149 1.00 0.00 H new ATOM 0 HG3 GLN A 16 14.532 -16.757 2.217 1.00 0.00 H new ATOM 0 HE21 GLN A 16 16.119 -18.638 2.721 1.00 0.00 H new ATOM 0 HE22 GLN A 16 17.173 -18.388 4.117 1.00 0.00 H new ATOM 228 N LEU A 17 15.012 -14.515 -1.090 1.00 0.00 N ATOM 229 CA LEU A 17 14.035 -13.502 -1.451 1.00 0.00 C ATOM 230 C LEU A 17 13.122 -13.230 -0.253 1.00 0.00 C ATOM 231 O LEU A 17 12.803 -14.142 0.508 1.00 0.00 O ATOM 232 CB LEU A 17 13.282 -13.910 -2.718 1.00 0.00 C ATOM 233 CG LEU A 17 13.964 -13.566 -4.044 1.00 0.00 C ATOM 234 CD1 LEU A 17 13.095 -13.985 -5.232 1.00 0.00 C ATOM 235 CD2 LEU A 17 14.335 -12.083 -4.101 1.00 0.00 C ATOM 0 H LEU A 17 14.957 -15.374 -1.637 1.00 0.00 H new ATOM 0 HA LEU A 17 14.532 -12.563 -1.693 1.00 0.00 H new ATOM 0 HB2 LEU A 17 13.115 -14.987 -2.687 1.00 0.00 H new ATOM 0 HB3 LEU A 17 12.301 -13.435 -2.703 1.00 0.00 H new ATOM 0 HG LEU A 17 14.893 -14.133 -4.108 1.00 0.00 H new ATOM 0 HD11 LEU A 17 13.603 -13.729 -6.162 1.00 0.00 H new ATOM 0 HD12 LEU A 17 12.924 -15.061 -5.196 1.00 0.00 H new ATOM 0 HD13 LEU A 17 12.139 -13.464 -5.185 1.00 0.00 H new ATOM 0 HD21 LEU A 17 14.818 -11.865 -5.053 1.00 0.00 H new ATOM 0 HD22 LEU A 17 13.433 -11.478 -4.005 1.00 0.00 H new ATOM 0 HD23 LEU A 17 15.018 -11.847 -3.285 1.00 0.00 H new ATOM 247 N PRO A 18 12.717 -11.939 -0.121 1.00 0.00 N ATOM 248 CA PRO A 18 11.847 -11.536 0.971 1.00 0.00 C ATOM 249 C PRO A 18 10.409 -11.998 0.726 1.00 0.00 C ATOM 250 O PRO A 18 10.127 -12.655 -0.275 1.00 0.00 O ATOM 251 CB PRO A 18 11.981 -10.024 1.043 1.00 0.00 C ATOM 252 CG PRO A 18 12.553 -9.592 -0.297 1.00 0.00 C ATOM 253 CD PRO A 18 13.075 -10.832 -1.003 1.00 0.00 C ATOM 0 HA PRO A 18 12.125 -11.993 1.921 1.00 0.00 H new ATOM 0 HB2 PRO A 18 11.014 -9.554 1.225 1.00 0.00 H new ATOM 0 HB3 PRO A 18 12.638 -9.729 1.861 1.00 0.00 H new ATOM 0 HG2 PRO A 18 11.787 -9.104 -0.899 1.00 0.00 H new ATOM 0 HG3 PRO A 18 13.355 -8.868 -0.154 1.00 0.00 H new ATOM 0 HD2 PRO A 18 12.622 -10.948 -1.987 1.00 0.00 H new ATOM 0 HD3 PRO A 18 14.153 -10.778 -1.153 1.00 0.00 H new ATOM 261 N HIS A 19 9.539 -11.638 1.657 1.00 0.00 N ATOM 262 CA HIS A 19 8.137 -12.007 1.555 1.00 0.00 C ATOM 263 C HIS A 19 7.274 -10.744 1.530 1.00 0.00 C ATOM 264 O HIS A 19 7.713 -9.679 1.962 1.00 0.00 O ATOM 265 CB HIS A 19 7.746 -12.971 2.677 1.00 0.00 C ATOM 266 CG HIS A 19 7.778 -14.426 2.274 1.00 0.00 C ATOM 267 ND1 HIS A 19 6.695 -15.273 2.439 1.00 0.00 N ATOM 268 CD2 HIS A 19 8.770 -15.174 1.713 1.00 0.00 C ATOM 269 CE1 HIS A 19 7.033 -16.475 1.994 1.00 0.00 C ATOM 270 NE2 HIS A 19 8.319 -16.412 1.545 1.00 0.00 N ATOM 0 H HIS A 19 9.777 -11.094 2.486 1.00 0.00 H new ATOM 0 HA HIS A 19 7.965 -12.541 0.620 1.00 0.00 H new ATOM 0 HB2 HIS A 19 8.420 -12.823 3.521 1.00 0.00 H new ATOM 0 HB3 HIS A 19 6.743 -12.722 3.023 1.00 0.00 H new ATOM 0 HD2 HIS A 19 9.756 -14.820 1.450 1.00 0.00 H new ATOM 0 HE1 HIS A 19 6.401 -17.351 1.988 1.00 0.00 H new ATOM 0 HE2 HIS A 19 8.848 -17.188 1.146 1.00 0.00 H new ATOM 278 N ALA A 20 6.061 -10.905 1.022 1.00 0.00 N ATOM 279 CA ALA A 20 5.132 -9.791 0.936 1.00 0.00 C ATOM 280 C ALA A 20 4.773 -9.321 2.347 1.00 0.00 C ATOM 281 O ALA A 20 5.022 -10.028 3.322 1.00 0.00 O ATOM 282 CB ALA A 20 3.901 -10.213 0.131 1.00 0.00 C ATOM 0 H ALA A 20 5.700 -11.790 0.666 1.00 0.00 H new ATOM 0 HA ALA A 20 5.589 -8.950 0.415 1.00 0.00 H new ATOM 0 HB1 ALA A 20 3.204 -9.377 0.067 1.00 0.00 H new ATOM 0 HB2 ALA A 20 4.206 -10.509 -0.873 1.00 0.00 H new ATOM 0 HB3 ALA A 20 3.414 -11.054 0.625 1.00 0.00 H new ATOM 288 N PRO A 21 4.179 -8.100 2.413 1.00 0.00 N ATOM 289 CA PRO A 21 3.783 -7.527 3.688 1.00 0.00 C ATOM 290 C PRO A 21 2.523 -8.208 4.227 1.00 0.00 C ATOM 291 O PRO A 21 1.725 -8.741 3.459 1.00 0.00 O ATOM 292 CB PRO A 21 3.586 -6.046 3.410 1.00 0.00 C ATOM 293 CG PRO A 21 3.424 -5.922 1.904 1.00 0.00 C ATOM 294 CD PRO A 21 3.869 -7.234 1.278 1.00 0.00 C ATOM 0 HA PRO A 21 4.531 -7.676 4.467 1.00 0.00 H new ATOM 0 HB2 PRO A 21 2.707 -5.665 3.930 1.00 0.00 H new ATOM 0 HB3 PRO A 21 4.440 -5.466 3.760 1.00 0.00 H new ATOM 0 HG2 PRO A 21 2.386 -5.709 1.648 1.00 0.00 H new ATOM 0 HG3 PRO A 21 4.022 -5.095 1.522 1.00 0.00 H new ATOM 0 HD2 PRO A 21 3.083 -7.663 0.656 1.00 0.00 H new ATOM 0 HD3 PRO A 21 4.740 -7.092 0.638 1.00 0.00 H new ATOM 302 N GLU A 22 2.385 -8.167 5.544 1.00 0.00 N ATOM 303 CA GLU A 22 1.236 -8.773 6.195 1.00 0.00 C ATOM 304 C GLU A 22 0.263 -7.691 6.669 1.00 0.00 C ATOM 305 O GLU A 22 0.525 -6.501 6.505 1.00 0.00 O ATOM 306 CB GLU A 22 1.672 -9.666 7.358 1.00 0.00 C ATOM 307 CG GLU A 22 1.712 -11.136 6.936 1.00 0.00 C ATOM 308 CD GLU A 22 1.194 -12.041 8.055 1.00 0.00 C ATOM 309 OE1 GLU A 22 1.851 -12.062 9.119 1.00 0.00 O ATOM 310 OE2 GLU A 22 0.153 -12.693 7.822 1.00 0.00 O ATOM 0 H GLU A 22 3.050 -7.724 6.178 1.00 0.00 H new ATOM 0 HA GLU A 22 0.723 -9.404 5.469 1.00 0.00 H new ATOM 0 HB2 GLU A 22 2.657 -9.358 7.708 1.00 0.00 H new ATOM 0 HB3 GLU A 22 0.983 -9.543 8.194 1.00 0.00 H new ATOM 0 HG2 GLU A 22 1.108 -11.277 6.040 1.00 0.00 H new ATOM 0 HG3 GLU A 22 2.733 -11.417 6.680 1.00 0.00 H new ATOM 317 N HIS A 23 -0.840 -8.145 7.246 1.00 0.00 N ATOM 318 CA HIS A 23 -1.854 -7.231 7.745 1.00 0.00 C ATOM 319 C HIS A 23 -1.949 -6.016 6.820 1.00 0.00 C ATOM 320 O HIS A 23 -1.802 -4.879 7.266 1.00 0.00 O ATOM 321 CB HIS A 23 -1.572 -6.848 9.199 1.00 0.00 C ATOM 322 CG HIS A 23 -2.710 -7.150 10.145 1.00 0.00 C ATOM 323 ND1 HIS A 23 -3.960 -6.569 10.025 1.00 0.00 N ATOM 324 CD2 HIS A 23 -2.773 -7.979 11.227 1.00 0.00 C ATOM 325 CE1 HIS A 23 -4.733 -7.033 10.996 1.00 0.00 C ATOM 326 NE2 HIS A 23 -3.995 -7.906 11.740 1.00 0.00 N ATOM 0 H HIS A 23 -1.054 -9.133 7.379 1.00 0.00 H new ATOM 0 HA HIS A 23 -2.826 -7.724 7.742 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -0.681 -7.378 9.537 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -1.347 -5.783 9.246 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -1.966 -8.591 11.602 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -5.765 -6.767 11.168 1.00 0.00 H new ATOM 0 HE2 HIS A 23 -4.328 -8.419 12.557 1.00 0.00 H new ATOM 334 N PRO A 24 -2.200 -6.305 5.515 1.00 0.00 N ATOM 335 CA PRO A 24 -2.316 -5.249 4.524 1.00 0.00 C ATOM 336 C PRO A 24 -3.654 -4.519 4.655 1.00 0.00 C ATOM 337 O PRO A 24 -4.599 -4.810 3.923 1.00 0.00 O ATOM 338 CB PRO A 24 -2.150 -5.948 3.184 1.00 0.00 C ATOM 339 CG PRO A 24 -2.411 -7.422 3.447 1.00 0.00 C ATOM 340 CD PRO A 24 -2.379 -7.640 4.951 1.00 0.00 C ATOM 0 HA PRO A 24 -1.563 -4.470 4.649 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -2.850 -5.553 2.448 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -1.147 -5.794 2.785 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -3.378 -7.717 3.039 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -1.657 -8.037 2.956 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -3.302 -8.099 5.304 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -1.563 -8.304 5.238 1.00 0.00 H new ATOM 348 N VAL A 25 -3.692 -3.583 5.592 1.00 0.00 N ATOM 349 CA VAL A 25 -4.898 -2.809 5.829 1.00 0.00 C ATOM 350 C VAL A 25 -4.797 -1.476 5.084 1.00 0.00 C ATOM 351 O VAL A 25 -3.734 -0.858 5.051 1.00 0.00 O ATOM 352 CB VAL A 25 -5.124 -2.638 7.333 1.00 0.00 C ATOM 353 CG1 VAL A 25 -6.567 -2.223 7.627 1.00 0.00 C ATOM 354 CG2 VAL A 25 -4.754 -3.914 8.091 1.00 0.00 C ATOM 0 H VAL A 25 -2.906 -3.343 6.196 1.00 0.00 H new ATOM 0 HA VAL A 25 -5.771 -3.334 5.441 1.00 0.00 H new ATOM 0 HB VAL A 25 -4.469 -1.840 7.682 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -6.701 -2.108 8.703 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -6.781 -1.276 7.132 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -7.249 -2.989 7.256 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -4.924 -3.766 9.157 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -5.371 -4.740 7.737 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -3.703 -4.147 7.920 1.00 0.00 H new ATOM 364 N ALA A 26 -5.918 -1.072 4.505 1.00 0.00 N ATOM 365 CA ALA A 26 -5.970 0.176 3.763 1.00 0.00 C ATOM 366 C ALA A 26 -7.257 0.923 4.119 1.00 0.00 C ATOM 367 O ALA A 26 -8.354 0.400 3.932 1.00 0.00 O ATOM 368 CB ALA A 26 -5.860 -0.116 2.265 1.00 0.00 C ATOM 0 H ALA A 26 -6.798 -1.587 4.535 1.00 0.00 H new ATOM 0 HA ALA A 26 -5.131 0.818 4.032 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -5.899 0.820 1.708 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -4.916 -0.621 2.061 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -6.687 -0.756 1.957 1.00 0.00 H new ATOM 374 N THR A 27 -7.079 2.135 4.624 1.00 0.00 N ATOM 375 CA THR A 27 -8.213 2.959 5.008 1.00 0.00 C ATOM 376 C THR A 27 -7.974 4.415 4.603 1.00 0.00 C ATOM 377 O THR A 27 -6.849 4.907 4.676 1.00 0.00 O ATOM 378 CB THR A 27 -8.444 2.776 6.509 1.00 0.00 C ATOM 379 OG1 THR A 27 -7.170 2.386 7.012 1.00 0.00 O ATOM 380 CG2 THR A 27 -9.349 1.582 6.820 1.00 0.00 C ATOM 0 H THR A 27 -6.167 2.566 4.776 1.00 0.00 H new ATOM 0 HA THR A 27 -9.120 2.653 4.486 1.00 0.00 H new ATOM 0 HB THR A 27 -8.885 3.683 6.922 1.00 0.00 H new ATOM 0 HG1 THR A 27 -7.229 2.248 7.980 1.00 0.00 H new ATOM 0 HG21 THR A 27 -9.481 1.497 7.899 1.00 0.00 H new ATOM 0 HG22 THR A 27 -10.320 1.728 6.346 1.00 0.00 H new ATOM 0 HG23 THR A 27 -8.892 0.670 6.437 1.00 0.00 H new ATOM 388 N LEU A 28 -9.052 5.064 4.186 1.00 0.00 N ATOM 389 CA LEU A 28 -8.974 6.454 3.769 1.00 0.00 C ATOM 390 C LEU A 28 -8.408 7.294 4.915 1.00 0.00 C ATOM 391 O LEU A 28 -8.349 6.836 6.055 1.00 0.00 O ATOM 392 CB LEU A 28 -10.334 6.939 3.265 1.00 0.00 C ATOM 393 CG LEU A 28 -10.378 7.426 1.815 1.00 0.00 C ATOM 394 CD1 LEU A 28 -11.094 6.414 0.918 1.00 0.00 C ATOM 395 CD2 LEU A 28 -11.004 8.818 1.722 1.00 0.00 C ATOM 0 H LEU A 28 -9.984 4.653 4.128 1.00 0.00 H new ATOM 0 HA LEU A 28 -8.291 6.561 2.926 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -11.051 6.126 3.376 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -10.670 7.751 3.910 1.00 0.00 H new ATOM 0 HG LEU A 28 -9.354 7.510 1.452 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -11.111 6.785 -0.107 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -10.566 5.461 0.950 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -12.116 6.274 1.271 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -11.023 9.140 0.681 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -12.022 8.786 2.110 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -10.414 9.522 2.309 1.00 0.00 H new ATOM 407 N SER A 29 -8.006 8.509 4.573 1.00 0.00 N ATOM 408 CA SER A 29 -7.446 9.418 5.560 1.00 0.00 C ATOM 409 C SER A 29 -8.565 10.225 6.221 1.00 0.00 C ATOM 410 O SER A 29 -9.151 11.108 5.597 1.00 0.00 O ATOM 411 CB SER A 29 -6.419 10.357 4.924 1.00 0.00 C ATOM 412 OG SER A 29 -5.441 10.794 5.864 1.00 0.00 O ATOM 0 H SER A 29 -8.057 8.886 3.626 1.00 0.00 H new ATOM 0 HA SER A 29 -6.935 8.826 6.320 1.00 0.00 H new ATOM 0 HB2 SER A 29 -5.925 9.847 4.097 1.00 0.00 H new ATOM 0 HB3 SER A 29 -6.931 11.223 4.504 1.00 0.00 H new ATOM 0 HG SER A 29 -4.594 10.960 5.401 1.00 0.00 H new ATOM 418 N THR A 30 -8.827 9.893 7.477 1.00 0.00 N ATOM 419 CA THR A 30 -9.865 10.576 8.230 1.00 0.00 C ATOM 420 C THR A 30 -9.375 11.951 8.687 1.00 0.00 C ATOM 421 O THR A 30 -10.109 12.690 9.341 1.00 0.00 O ATOM 422 CB THR A 30 -10.287 9.666 9.385 1.00 0.00 C ATOM 423 OG1 THR A 30 -9.118 9.567 10.194 1.00 0.00 O ATOM 424 CG2 THR A 30 -10.551 8.229 8.933 1.00 0.00 C ATOM 0 H THR A 30 -8.338 9.160 7.992 1.00 0.00 H new ATOM 0 HA THR A 30 -10.742 10.768 7.611 1.00 0.00 H new ATOM 0 HB THR A 30 -11.185 10.069 9.854 1.00 0.00 H new ATOM 0 HG1 THR A 30 -9.303 8.995 10.968 1.00 0.00 H new ATOM 0 HG21 THR A 30 -10.847 7.626 9.791 1.00 0.00 H new ATOM 0 HG22 THR A 30 -11.350 8.222 8.192 1.00 0.00 H new ATOM 0 HG23 THR A 30 -9.644 7.814 8.493 1.00 0.00 H new ATOM 432 N VAL A 31 -8.137 12.253 8.325 1.00 0.00 N ATOM 433 CA VAL A 31 -7.540 13.526 8.690 1.00 0.00 C ATOM 434 C VAL A 31 -7.309 14.358 7.427 1.00 0.00 C ATOM 435 O VAL A 31 -7.407 15.583 7.459 1.00 0.00 O ATOM 436 CB VAL A 31 -6.259 13.293 9.494 1.00 0.00 C ATOM 437 CG1 VAL A 31 -6.475 12.230 10.574 1.00 0.00 C ATOM 438 CG2 VAL A 31 -5.097 12.911 8.575 1.00 0.00 C ATOM 0 H VAL A 31 -7.531 11.638 7.782 1.00 0.00 H new ATOM 0 HA VAL A 31 -8.214 14.092 9.334 1.00 0.00 H new ATOM 0 HB VAL A 31 -6.001 14.228 9.991 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -5.549 12.084 11.131 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -7.260 12.558 11.255 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -6.769 11.291 10.106 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -4.199 12.751 9.171 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -5.344 11.995 8.038 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -4.919 13.714 7.860 1.00 0.00 H new ATOM 448 N GLU A 32 -7.007 13.658 6.343 1.00 0.00 N ATOM 449 CA GLU A 32 -6.762 14.316 5.071 1.00 0.00 C ATOM 450 C GLU A 32 -7.846 13.937 4.060 1.00 0.00 C ATOM 451 O GLU A 32 -8.428 12.857 4.144 1.00 0.00 O ATOM 452 CB GLU A 32 -5.370 13.973 4.536 1.00 0.00 C ATOM 453 CG GLU A 32 -4.464 15.207 4.535 1.00 0.00 C ATOM 454 CD GLU A 32 -5.068 16.329 3.688 1.00 0.00 C ATOM 455 OE1 GLU A 32 -5.081 16.161 2.450 1.00 0.00 O ATOM 456 OE2 GLU A 32 -5.503 17.329 4.299 1.00 0.00 O ATOM 0 H GLU A 32 -6.926 12.641 6.320 1.00 0.00 H new ATOM 0 HA GLU A 32 -6.800 15.394 5.228 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -4.924 13.190 5.149 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -5.453 13.577 3.524 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -4.318 15.556 5.557 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -3.481 14.941 4.146 1.00 0.00 H new ATOM 463 N ARG A 33 -8.085 14.848 3.129 1.00 0.00 N ATOM 464 CA ARG A 33 -9.090 14.624 2.103 1.00 0.00 C ATOM 465 C ARG A 33 -8.450 13.995 0.863 1.00 0.00 C ATOM 466 O ARG A 33 -7.274 14.221 0.585 1.00 0.00 O ATOM 467 CB ARG A 33 -9.774 15.933 1.706 1.00 0.00 C ATOM 468 CG ARG A 33 -10.929 16.257 2.656 1.00 0.00 C ATOM 469 CD ARG A 33 -12.094 15.286 2.455 1.00 0.00 C ATOM 470 NE ARG A 33 -12.928 15.236 3.676 1.00 0.00 N ATOM 471 CZ ARG A 33 -14.172 14.738 3.717 1.00 0.00 C ATOM 472 NH1 ARG A 33 -14.732 14.245 2.604 1.00 0.00 N ATOM 473 NH2 ARG A 33 -14.854 14.734 4.870 1.00 0.00 N ATOM 0 H ARG A 33 -7.600 15.743 3.063 1.00 0.00 H new ATOM 0 HA ARG A 33 -9.839 13.947 2.514 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -9.048 16.746 1.720 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -10.148 15.857 0.685 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -10.581 16.205 3.688 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -11.269 17.279 2.486 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -12.698 15.601 1.605 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -11.713 14.291 2.224 1.00 0.00 H new ATOM 0 HE ARG A 33 -12.532 15.604 4.541 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -14.212 14.249 1.727 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -15.678 13.866 2.634 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -14.427 15.110 5.717 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -15.801 14.355 4.901 1.00 0.00 H new ATOM 487 N ARG A 34 -9.254 13.219 0.151 1.00 0.00 N ATOM 488 CA ARG A 34 -8.782 12.556 -1.052 1.00 0.00 C ATOM 489 C ARG A 34 -7.420 11.906 -0.801 1.00 0.00 C ATOM 490 O ARG A 34 -6.568 11.877 -1.688 1.00 0.00 O ATOM 491 CB ARG A 34 -8.661 13.544 -2.214 1.00 0.00 C ATOM 492 CG ARG A 34 -9.781 14.585 -2.167 1.00 0.00 C ATOM 493 CD ARG A 34 -10.168 15.038 -3.576 1.00 0.00 C ATOM 494 NE ARG A 34 -11.556 15.550 -3.579 1.00 0.00 N ATOM 495 CZ ARG A 34 -11.909 16.769 -3.147 1.00 0.00 C ATOM 496 NH1 ARG A 34 -10.976 17.607 -2.674 1.00 0.00 N ATOM 497 NH2 ARG A 34 -13.193 17.149 -3.188 1.00 0.00 N ATOM 0 H ARG A 34 -10.230 13.035 0.385 1.00 0.00 H new ATOM 0 HA ARG A 34 -9.511 11.790 -1.315 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -7.693 14.044 -2.172 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -8.700 13.005 -3.160 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -10.652 14.165 -1.664 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -9.458 15.445 -1.580 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -9.484 15.815 -3.918 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -10.077 14.205 -4.273 1.00 0.00 H new ATOM 0 HE ARG A 34 -12.291 14.937 -3.932 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -9.999 17.317 -2.643 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -11.243 18.535 -2.345 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -13.903 16.511 -3.548 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -13.461 18.077 -2.859 1.00 0.00 H new ATOM 511 N ALA A 35 -7.256 11.401 0.413 1.00 0.00 N ATOM 512 CA ALA A 35 -6.012 10.753 0.793 1.00 0.00 C ATOM 513 C ALA A 35 -6.323 9.420 1.477 1.00 0.00 C ATOM 514 O ALA A 35 -7.189 9.353 2.348 1.00 0.00 O ATOM 515 CB ALA A 35 -5.200 11.692 1.688 1.00 0.00 C ATOM 0 H ALA A 35 -7.964 11.428 1.147 1.00 0.00 H new ATOM 0 HA ALA A 35 -5.407 10.538 -0.088 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -4.267 11.206 1.973 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -4.979 12.611 1.146 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -5.775 11.928 2.584 1.00 0.00 H new ATOM 521 N ILE A 36 -5.601 8.393 1.056 1.00 0.00 N ATOM 522 CA ILE A 36 -5.790 7.066 1.617 1.00 0.00 C ATOM 523 C ILE A 36 -4.607 6.729 2.527 1.00 0.00 C ATOM 524 O ILE A 36 -3.479 7.142 2.263 1.00 0.00 O ATOM 525 CB ILE A 36 -6.021 6.041 0.504 1.00 0.00 C ATOM 526 CG1 ILE A 36 -7.429 6.173 -0.079 1.00 0.00 C ATOM 527 CG2 ILE A 36 -5.735 4.622 0.998 1.00 0.00 C ATOM 528 CD1 ILE A 36 -7.554 5.399 -1.393 1.00 0.00 C ATOM 0 H ILE A 36 -4.884 8.452 0.333 1.00 0.00 H new ATOM 0 HA ILE A 36 -6.687 7.038 2.235 1.00 0.00 H new ATOM 0 HB ILE A 36 -5.318 6.248 -0.303 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -8.160 5.799 0.638 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -7.659 7.225 -0.249 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -5.907 3.913 0.188 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -4.698 4.553 1.327 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -6.396 4.387 1.832 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -8.565 5.510 -1.786 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -6.839 5.791 -2.116 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -7.348 4.344 -1.215 1.00 0.00 H new ATOM 540 N ASN A 37 -4.906 5.981 3.580 1.00 0.00 N ATOM 541 CA ASN A 37 -3.881 5.584 4.530 1.00 0.00 C ATOM 542 C ASN A 37 -3.697 4.066 4.471 1.00 0.00 C ATOM 543 O ASN A 37 -4.619 3.313 4.781 1.00 0.00 O ATOM 544 CB ASN A 37 -4.281 5.956 5.959 1.00 0.00 C ATOM 545 CG ASN A 37 -3.325 6.998 6.543 1.00 0.00 C ATOM 546 OD1 ASN A 37 -2.113 6.885 6.453 1.00 0.00 O ATOM 547 ND2 ASN A 37 -3.934 8.014 7.146 1.00 0.00 N ATOM 0 H ASN A 37 -5.843 5.640 3.796 1.00 0.00 H new ATOM 0 HA ASN A 37 -2.959 6.102 4.267 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -5.298 6.347 5.965 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -4.278 5.064 6.585 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -3.383 8.761 7.569 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -4.953 8.047 7.186 1.00 0.00 H new ATOM 554 N LEU A 38 -2.500 3.663 4.070 1.00 0.00 N ATOM 555 CA LEU A 38 -2.184 2.248 3.965 1.00 0.00 C ATOM 556 C LEU A 38 -1.329 1.832 5.164 1.00 0.00 C ATOM 557 O LEU A 38 -0.437 2.569 5.581 1.00 0.00 O ATOM 558 CB LEU A 38 -1.537 1.942 2.613 1.00 0.00 C ATOM 559 CG LEU A 38 -1.675 0.503 2.114 1.00 0.00 C ATOM 560 CD1 LEU A 38 -2.924 0.341 1.245 1.00 0.00 C ATOM 561 CD2 LEU A 38 -0.408 0.051 1.386 1.00 0.00 C ATOM 0 H LEU A 38 -1.738 4.291 3.814 1.00 0.00 H new ATOM 0 HA LEU A 38 -3.095 1.650 3.998 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -1.970 2.608 1.866 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -0.476 2.183 2.678 1.00 0.00 H new ATOM 0 HG LEU A 38 -1.798 -0.148 2.980 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -2.998 -0.691 0.903 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -3.809 0.594 1.829 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -2.856 1.004 0.383 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -0.533 -0.976 1.042 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -0.228 0.702 0.530 1.00 0.00 H new ATOM 0 HD23 LEU A 38 0.442 0.104 2.067 1.00 0.00 H new ATOM 573 N THR A 39 -1.632 0.652 5.685 1.00 0.00 N ATOM 574 CA THR A 39 -0.903 0.129 6.827 1.00 0.00 C ATOM 575 C THR A 39 -0.697 -1.380 6.683 1.00 0.00 C ATOM 576 O THR A 39 -1.661 -2.132 6.545 1.00 0.00 O ATOM 577 CB THR A 39 -1.666 0.519 8.095 1.00 0.00 C ATOM 578 OG1 THR A 39 -2.947 -0.083 7.928 1.00 0.00 O ATOM 579 CG2 THR A 39 -1.965 2.018 8.160 1.00 0.00 C ATOM 0 H THR A 39 -2.373 0.043 5.337 1.00 0.00 H new ATOM 0 HA THR A 39 0.097 0.558 6.887 1.00 0.00 H new ATOM 0 HB THR A 39 -1.088 0.225 8.971 1.00 0.00 H new ATOM 0 HG1 THR A 39 -3.507 0.118 8.707 1.00 0.00 H new ATOM 0 HG21 THR A 39 -2.507 2.241 9.079 1.00 0.00 H new ATOM 0 HG22 THR A 39 -1.029 2.577 8.146 1.00 0.00 H new ATOM 0 HG23 THR A 39 -2.572 2.306 7.301 1.00 0.00 H new ATOM 587 N TRP A 40 0.566 -1.779 6.719 1.00 0.00 N ATOM 588 CA TRP A 40 0.912 -3.185 6.593 1.00 0.00 C ATOM 589 C TRP A 40 1.949 -3.515 7.669 1.00 0.00 C ATOM 590 O TRP A 40 2.498 -2.615 8.303 1.00 0.00 O ATOM 591 CB TRP A 40 1.395 -3.507 5.178 1.00 0.00 C ATOM 592 CG TRP A 40 2.700 -2.808 4.792 1.00 0.00 C ATOM 593 CD1 TRP A 40 3.951 -3.272 4.915 1.00 0.00 C ATOM 594 CD2 TRP A 40 2.833 -1.493 4.212 1.00 0.00 C ATOM 595 NE1 TRP A 40 4.877 -2.356 4.458 1.00 0.00 N ATOM 596 CE2 TRP A 40 4.175 -1.240 4.017 1.00 0.00 C ATOM 597 CE3 TRP A 40 1.851 -0.549 3.863 1.00 0.00 C ATOM 598 CZ2 TRP A 40 4.659 -0.047 3.468 1.00 0.00 C ATOM 599 CZ3 TRP A 40 2.351 0.638 3.316 1.00 0.00 C ATOM 600 CH2 TRP A 40 3.699 0.909 3.113 1.00 0.00 C ATOM 0 H TRP A 40 1.363 -1.153 6.834 1.00 0.00 H new ATOM 0 HA TRP A 40 0.035 -3.813 6.750 1.00 0.00 H new ATOM 0 HB2 TRP A 40 1.532 -4.585 5.088 1.00 0.00 H new ATOM 0 HB3 TRP A 40 0.619 -3.224 4.467 1.00 0.00 H new ATOM 0 HD1 TRP A 40 4.203 -4.241 5.321 1.00 0.00 H new ATOM 0 HE1 TRP A 40 5.890 -2.476 4.446 1.00 0.00 H new ATOM 0 HE3 TRP A 40 0.795 -0.726 4.006 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 5.715 0.127 3.326 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 1.638 1.398 3.031 1.00 0.00 H new ATOM 0 HH2 TRP A 40 4.005 1.852 2.684 1.00 0.00 H new ATOM 611 N THR A 41 2.186 -4.807 7.841 1.00 0.00 N ATOM 612 CA THR A 41 3.147 -5.267 8.828 1.00 0.00 C ATOM 613 C THR A 41 4.506 -5.520 8.172 1.00 0.00 C ATOM 614 O THR A 41 4.583 -5.752 6.967 1.00 0.00 O ATOM 615 CB THR A 41 2.565 -6.503 9.516 1.00 0.00 C ATOM 616 OG1 THR A 41 1.700 -5.970 10.515 1.00 0.00 O ATOM 617 CG2 THR A 41 3.616 -7.282 10.309 1.00 0.00 C ATOM 0 H THR A 41 1.729 -5.550 7.313 1.00 0.00 H new ATOM 0 HA THR A 41 3.325 -4.508 9.589 1.00 0.00 H new ATOM 0 HB THR A 41 2.117 -7.157 8.768 1.00 0.00 H new ATOM 0 HG1 THR A 41 1.279 -6.704 11.009 1.00 0.00 H new ATOM 0 HG21 THR A 41 3.150 -8.149 10.777 1.00 0.00 H new ATOM 0 HG22 THR A 41 4.407 -7.614 9.636 1.00 0.00 H new ATOM 0 HG23 THR A 41 4.041 -6.639 11.079 1.00 0.00 H new ATOM 625 N LYS A 42 5.544 -5.466 8.994 1.00 0.00 N ATOM 626 CA LYS A 42 6.895 -5.686 8.509 1.00 0.00 C ATOM 627 C LYS A 42 7.132 -7.188 8.338 1.00 0.00 C ATOM 628 O LYS A 42 7.159 -7.932 9.317 1.00 0.00 O ATOM 629 CB LYS A 42 7.912 -5.004 9.426 1.00 0.00 C ATOM 630 CG LYS A 42 9.237 -4.771 8.698 1.00 0.00 C ATOM 631 CD LYS A 42 10.324 -5.711 9.223 1.00 0.00 C ATOM 632 CE LYS A 42 11.555 -5.688 8.315 1.00 0.00 C ATOM 633 NZ LYS A 42 12.290 -4.413 8.470 1.00 0.00 N ATOM 0 H LYS A 42 5.476 -5.273 9.993 1.00 0.00 H new ATOM 0 HA LYS A 42 7.027 -5.228 7.529 1.00 0.00 H new ATOM 0 HB2 LYS A 42 7.512 -4.052 9.774 1.00 0.00 H new ATOM 0 HB3 LYS A 42 8.082 -5.620 10.309 1.00 0.00 H new ATOM 0 HG2 LYS A 42 9.101 -4.929 7.628 1.00 0.00 H new ATOM 0 HG3 LYS A 42 9.552 -3.736 8.830 1.00 0.00 H new ATOM 0 HD2 LYS A 42 10.608 -5.416 10.233 1.00 0.00 H new ATOM 0 HD3 LYS A 42 9.933 -6.726 9.285 1.00 0.00 H new ATOM 0 HE2 LYS A 42 12.210 -6.524 8.559 1.00 0.00 H new ATOM 0 HE3 LYS A 42 11.250 -5.815 7.276 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 13.123 -4.414 7.847 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 11.667 -3.620 8.215 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 12.597 -4.307 9.458 1.00 0.00 H new ATOM 647 N PRO A 43 7.303 -7.601 7.053 1.00 0.00 N ATOM 648 CA PRO A 43 7.537 -9.000 6.741 1.00 0.00 C ATOM 649 C PRO A 43 8.967 -9.410 7.099 1.00 0.00 C ATOM 650 O PRO A 43 9.774 -8.574 7.500 1.00 0.00 O ATOM 651 CB PRO A 43 7.236 -9.128 5.257 1.00 0.00 C ATOM 652 CG PRO A 43 7.296 -7.717 4.696 1.00 0.00 C ATOM 653 CD PRO A 43 7.277 -6.749 5.868 1.00 0.00 C ATOM 0 HA PRO A 43 6.904 -9.672 7.321 1.00 0.00 H new ATOM 0 HB2 PRO A 43 7.963 -9.775 4.766 1.00 0.00 H new ATOM 0 HB3 PRO A 43 6.254 -9.571 5.095 1.00 0.00 H new ATOM 0 HG2 PRO A 43 8.200 -7.580 4.102 1.00 0.00 H new ATOM 0 HG3 PRO A 43 6.449 -7.533 4.035 1.00 0.00 H new ATOM 0 HD2 PRO A 43 8.137 -6.080 5.843 1.00 0.00 H new ATOM 0 HD3 PRO A 43 6.385 -6.123 5.850 1.00 0.00 H new ATOM 661 N PHE A 44 9.237 -10.698 6.940 1.00 0.00 N ATOM 662 CA PHE A 44 10.555 -11.229 7.242 1.00 0.00 C ATOM 663 C PHE A 44 11.448 -11.216 6.000 1.00 0.00 C ATOM 664 O PHE A 44 11.078 -11.757 4.959 1.00 0.00 O ATOM 665 CB PHE A 44 10.361 -12.675 7.700 1.00 0.00 C ATOM 666 CG PHE A 44 11.668 -13.425 7.966 1.00 0.00 C ATOM 667 CD1 PHE A 44 12.495 -13.737 6.932 1.00 0.00 C ATOM 668 CD2 PHE A 44 12.003 -13.779 9.236 1.00 0.00 C ATOM 669 CE1 PHE A 44 13.708 -14.433 7.179 1.00 0.00 C ATOM 670 CE2 PHE A 44 13.216 -14.475 9.482 1.00 0.00 C ATOM 671 CZ PHE A 44 14.043 -14.787 8.448 1.00 0.00 C ATOM 0 H PHE A 44 8.565 -11.389 6.606 1.00 0.00 H new ATOM 0 HA PHE A 44 11.034 -10.621 8.009 1.00 0.00 H new ATOM 0 HB2 PHE A 44 9.760 -12.680 8.609 1.00 0.00 H new ATOM 0 HB3 PHE A 44 9.794 -13.213 6.940 1.00 0.00 H new ATOM 0 HD1 PHE A 44 12.229 -13.456 5.924 1.00 0.00 H new ATOM 0 HD2 PHE A 44 11.347 -13.531 10.057 1.00 0.00 H new ATOM 0 HE1 PHE A 44 14.365 -14.681 6.358 1.00 0.00 H new ATOM 0 HE2 PHE A 44 13.482 -14.757 10.490 1.00 0.00 H new ATOM 0 HZ PHE A 44 14.966 -15.316 8.635 1.00 0.00 H new ATOM 681 N ASP A 45 12.607 -10.592 6.150 1.00 0.00 N ATOM 682 CA ASP A 45 13.556 -10.501 5.053 1.00 0.00 C ATOM 683 C ASP A 45 14.458 -11.737 5.062 1.00 0.00 C ATOM 684 O ASP A 45 14.883 -12.193 6.122 1.00 0.00 O ATOM 685 CB ASP A 45 14.447 -9.265 5.196 1.00 0.00 C ATOM 686 CG ASP A 45 15.405 -9.293 6.389 1.00 0.00 C ATOM 687 OD1 ASP A 45 16.510 -9.852 6.216 1.00 0.00 O ATOM 688 OD2 ASP A 45 15.012 -8.755 7.446 1.00 0.00 O ATOM 0 H ASP A 45 12.911 -10.144 7.015 1.00 0.00 H new ATOM 0 HA ASP A 45 12.991 -10.433 4.123 1.00 0.00 H new ATOM 0 HB2 ASP A 45 15.031 -9.149 4.283 1.00 0.00 H new ATOM 0 HB3 ASP A 45 13.810 -8.384 5.281 1.00 0.00 H new ATOM 693 N GLY A 46 14.724 -12.244 3.867 1.00 0.00 N ATOM 694 CA GLY A 46 15.568 -13.418 3.723 1.00 0.00 C ATOM 695 C GLY A 46 16.698 -13.411 4.754 1.00 0.00 C ATOM 696 O GLY A 46 16.684 -14.197 5.700 1.00 0.00 O ATOM 0 H GLY A 46 14.370 -11.863 2.990 1.00 0.00 H new ATOM 0 HA2 GLY A 46 14.967 -14.319 3.843 1.00 0.00 H new ATOM 0 HA3 GLY A 46 15.988 -13.447 2.718 1.00 0.00 H new ATOM 700 N ASN A 47 17.649 -12.515 4.536 1.00 0.00 N ATOM 701 CA ASN A 47 18.785 -12.395 5.434 1.00 0.00 C ATOM 702 C ASN A 47 19.500 -11.069 5.171 1.00 0.00 C ATOM 703 O ASN A 47 20.711 -10.964 5.363 1.00 0.00 O ATOM 704 CB ASN A 47 19.789 -13.527 5.207 1.00 0.00 C ATOM 705 CG ASN A 47 19.900 -14.418 6.446 1.00 0.00 C ATOM 706 OD1 ASN A 47 20.265 -13.982 7.525 1.00 0.00 O ATOM 707 ND2 ASN A 47 19.566 -15.688 6.231 1.00 0.00 N ATOM 0 H ASN A 47 17.656 -11.865 3.750 1.00 0.00 H new ATOM 0 HA ASN A 47 18.412 -12.444 6.457 1.00 0.00 H new ATOM 0 HB2 ASN A 47 19.480 -14.126 4.350 1.00 0.00 H new ATOM 0 HB3 ASN A 47 20.766 -13.108 4.967 1.00 0.00 H new ATOM 0 HD21 ASN A 47 19.607 -16.363 6.995 1.00 0.00 H new ATOM 0 HD22 ASN A 47 19.269 -15.987 5.302 1.00 0.00 H new ATOM 714 N SER A 48 18.722 -10.090 4.735 1.00 0.00 N ATOM 715 CA SER A 48 19.266 -8.774 4.443 1.00 0.00 C ATOM 716 C SER A 48 18.211 -7.700 4.712 1.00 0.00 C ATOM 717 O SER A 48 17.016 -7.992 4.746 1.00 0.00 O ATOM 718 CB SER A 48 19.754 -8.689 2.995 1.00 0.00 C ATOM 719 OG SER A 48 21.082 -8.182 2.909 1.00 0.00 O ATOM 0 H SER A 48 17.719 -10.181 4.577 1.00 0.00 H new ATOM 0 HA SER A 48 20.122 -8.605 5.097 1.00 0.00 H new ATOM 0 HB2 SER A 48 19.714 -9.679 2.540 1.00 0.00 H new ATOM 0 HB3 SER A 48 19.083 -8.048 2.423 1.00 0.00 H new ATOM 0 HG SER A 48 21.358 -8.145 1.969 1.00 0.00 H new ATOM 725 N PRO A 49 18.702 -6.446 4.902 1.00 0.00 N ATOM 726 CA PRO A 49 17.815 -5.327 5.167 1.00 0.00 C ATOM 727 C PRO A 49 17.091 -4.887 3.893 1.00 0.00 C ATOM 728 O PRO A 49 17.729 -4.561 2.893 1.00 0.00 O ATOM 729 CB PRO A 49 18.710 -4.243 5.745 1.00 0.00 C ATOM 730 CG PRO A 49 20.129 -4.621 5.352 1.00 0.00 C ATOM 731 CD PRO A 49 20.110 -6.063 4.869 1.00 0.00 C ATOM 0 HA PRO A 49 17.017 -5.580 5.865 1.00 0.00 H new ATOM 0 HB2 PRO A 49 18.443 -3.263 5.349 1.00 0.00 H new ATOM 0 HB3 PRO A 49 18.606 -4.188 6.829 1.00 0.00 H new ATOM 0 HG2 PRO A 49 20.497 -3.960 4.567 1.00 0.00 H new ATOM 0 HG3 PRO A 49 20.803 -4.512 6.202 1.00 0.00 H new ATOM 0 HD2 PRO A 49 20.520 -6.149 3.863 1.00 0.00 H new ATOM 0 HD3 PRO A 49 20.710 -6.705 5.514 1.00 0.00 H new ATOM 739 N LEU A 50 15.768 -4.893 3.970 1.00 0.00 N ATOM 740 CA LEU A 50 14.950 -4.499 2.835 1.00 0.00 C ATOM 741 C LEU A 50 15.592 -3.295 2.143 1.00 0.00 C ATOM 742 O LEU A 50 16.384 -2.575 2.750 1.00 0.00 O ATOM 743 CB LEU A 50 13.505 -4.257 3.275 1.00 0.00 C ATOM 744 CG LEU A 50 12.753 -5.478 3.809 1.00 0.00 C ATOM 745 CD1 LEU A 50 11.743 -5.073 4.884 1.00 0.00 C ATOM 746 CD2 LEU A 50 12.096 -6.260 2.670 1.00 0.00 C ATOM 0 H LEU A 50 15.242 -5.164 4.801 1.00 0.00 H new ATOM 0 HA LEU A 50 14.905 -5.303 2.100 1.00 0.00 H new ATOM 0 HB2 LEU A 50 13.505 -3.489 4.048 1.00 0.00 H new ATOM 0 HB3 LEU A 50 12.950 -3.856 2.427 1.00 0.00 H new ATOM 0 HG LEU A 50 13.475 -6.144 4.281 1.00 0.00 H new ATOM 0 HD11 LEU A 50 11.222 -5.959 5.246 1.00 0.00 H new ATOM 0 HD12 LEU A 50 12.266 -4.595 5.713 1.00 0.00 H new ATOM 0 HD13 LEU A 50 11.020 -4.376 4.460 1.00 0.00 H new ATOM 0 HD21 LEU A 50 11.569 -7.122 3.078 1.00 0.00 H new ATOM 0 HD22 LEU A 50 11.389 -5.616 2.147 1.00 0.00 H new ATOM 0 HD23 LEU A 50 12.862 -6.600 1.973 1.00 0.00 H new ATOM 758 N ILE A 51 15.226 -3.113 0.883 1.00 0.00 N ATOM 759 CA ILE A 51 15.757 -2.008 0.102 1.00 0.00 C ATOM 760 C ILE A 51 14.640 -0.998 -0.168 1.00 0.00 C ATOM 761 O ILE A 51 14.794 0.192 0.105 1.00 0.00 O ATOM 762 CB ILE A 51 16.437 -2.526 -1.167 1.00 0.00 C ATOM 763 CG1 ILE A 51 17.834 -3.067 -0.858 1.00 0.00 C ATOM 764 CG2 ILE A 51 16.466 -1.449 -2.253 1.00 0.00 C ATOM 765 CD1 ILE A 51 18.537 -3.531 -2.135 1.00 0.00 C ATOM 0 H ILE A 51 14.568 -3.712 0.383 1.00 0.00 H new ATOM 0 HA ILE A 51 16.533 -1.485 0.661 1.00 0.00 H new ATOM 0 HB ILE A 51 15.848 -3.357 -1.555 1.00 0.00 H new ATOM 0 HG12 ILE A 51 18.428 -2.293 -0.372 1.00 0.00 H new ATOM 0 HG13 ILE A 51 17.759 -3.898 -0.157 1.00 0.00 H new ATOM 0 HG21 ILE A 51 16.955 -1.844 -3.144 1.00 0.00 H new ATOM 0 HG22 ILE A 51 15.446 -1.153 -2.499 1.00 0.00 H new ATOM 0 HG23 ILE A 51 17.018 -0.582 -1.891 1.00 0.00 H new ATOM 0 HD11 ILE A 51 19.528 -3.911 -1.887 1.00 0.00 H new ATOM 0 HD12 ILE A 51 17.952 -4.322 -2.605 1.00 0.00 H new ATOM 0 HD13 ILE A 51 18.632 -2.691 -2.824 1.00 0.00 H new ATOM 777 N ARG A 52 13.540 -1.508 -0.701 1.00 0.00 N ATOM 778 CA ARG A 52 12.397 -0.665 -1.011 1.00 0.00 C ATOM 779 C ARG A 52 11.162 -1.525 -1.287 1.00 0.00 C ATOM 780 O ARG A 52 11.248 -2.752 -1.306 1.00 0.00 O ATOM 781 CB ARG A 52 12.678 0.217 -2.229 1.00 0.00 C ATOM 782 CG ARG A 52 12.511 -0.573 -3.529 1.00 0.00 C ATOM 783 CD ARG A 52 12.835 0.297 -4.745 1.00 0.00 C ATOM 784 NE ARG A 52 14.302 0.409 -4.910 1.00 0.00 N ATOM 785 CZ ARG A 52 14.897 1.002 -5.954 1.00 0.00 C ATOM 786 NH1 ARG A 52 14.154 1.540 -6.932 1.00 0.00 N ATOM 787 NH2 ARG A 52 16.234 1.058 -6.021 1.00 0.00 N ATOM 0 H ARG A 52 13.415 -2.495 -0.926 1.00 0.00 H new ATOM 0 HA ARG A 52 12.213 -0.025 -0.148 1.00 0.00 H new ATOM 0 HB2 ARG A 52 12.000 1.071 -2.228 1.00 0.00 H new ATOM 0 HB3 ARG A 52 13.691 0.615 -2.169 1.00 0.00 H new ATOM 0 HG2 ARG A 52 13.166 -1.444 -3.516 1.00 0.00 H new ATOM 0 HG3 ARG A 52 11.489 -0.944 -3.605 1.00 0.00 H new ATOM 0 HD2 ARG A 52 12.392 -0.137 -5.641 1.00 0.00 H new ATOM 0 HD3 ARG A 52 12.398 1.288 -4.621 1.00 0.00 H new ATOM 0 HE ARG A 52 14.897 0.010 -4.184 1.00 0.00 H new ATOM 0 HH11 ARG A 52 13.136 1.498 -6.881 1.00 0.00 H new ATOM 0 HH12 ARG A 52 14.607 1.991 -7.727 1.00 0.00 H new ATOM 0 HH21 ARG A 52 16.799 0.649 -5.277 1.00 0.00 H new ATOM 0 HH22 ARG A 52 16.686 1.510 -6.816 1.00 0.00 H new ATOM 801 N TYR A 53 10.043 -0.848 -1.493 1.00 0.00 N ATOM 802 CA TYR A 53 8.792 -1.534 -1.767 1.00 0.00 C ATOM 803 C TYR A 53 8.059 -0.890 -2.945 1.00 0.00 C ATOM 804 O TYR A 53 7.961 0.334 -3.026 1.00 0.00 O ATOM 805 CB TYR A 53 7.940 -1.379 -0.505 1.00 0.00 C ATOM 806 CG TYR A 53 8.323 -2.335 0.626 1.00 0.00 C ATOM 807 CD1 TYR A 53 9.550 -2.214 1.247 1.00 0.00 C ATOM 808 CD2 TYR A 53 7.442 -3.319 1.025 1.00 0.00 C ATOM 809 CE1 TYR A 53 9.910 -3.114 2.311 1.00 0.00 C ATOM 810 CE2 TYR A 53 7.802 -4.220 2.089 1.00 0.00 C ATOM 811 CZ TYR A 53 9.018 -4.073 2.680 1.00 0.00 C ATOM 812 OH TYR A 53 9.359 -4.923 3.685 1.00 0.00 O ATOM 0 H TYR A 53 9.976 0.170 -1.476 1.00 0.00 H new ATOM 0 HA TYR A 53 8.975 -2.578 -2.022 1.00 0.00 H new ATOM 0 HB2 TYR A 53 8.026 -0.354 -0.145 1.00 0.00 H new ATOM 0 HB3 TYR A 53 6.893 -1.539 -0.764 1.00 0.00 H new ATOM 0 HD1 TYR A 53 10.240 -1.444 0.934 1.00 0.00 H new ATOM 0 HD2 TYR A 53 6.482 -3.414 0.539 1.00 0.00 H new ATOM 0 HE1 TYR A 53 10.867 -3.030 2.805 1.00 0.00 H new ATOM 0 HE2 TYR A 53 7.122 -4.995 2.410 1.00 0.00 H new ATOM 0 HH TYR A 53 9.073 -4.546 4.543 1.00 0.00 H new ATOM 822 N ILE A 54 7.562 -1.742 -3.830 1.00 0.00 N ATOM 823 CA ILE A 54 6.841 -1.271 -5.000 1.00 0.00 C ATOM 824 C ILE A 54 5.337 -1.339 -4.728 1.00 0.00 C ATOM 825 O ILE A 54 4.732 -2.405 -4.830 1.00 0.00 O ATOM 826 CB ILE A 54 7.277 -2.045 -6.245 1.00 0.00 C ATOM 827 CG1 ILE A 54 8.796 -1.994 -6.419 1.00 0.00 C ATOM 828 CG2 ILE A 54 6.540 -1.543 -7.489 1.00 0.00 C ATOM 829 CD1 ILE A 54 9.240 -2.841 -7.614 1.00 0.00 C ATOM 0 H ILE A 54 7.645 -2.756 -3.760 1.00 0.00 H new ATOM 0 HA ILE A 54 7.082 -0.227 -5.202 1.00 0.00 H new ATOM 0 HB ILE A 54 7.004 -3.091 -6.109 1.00 0.00 H new ATOM 0 HG12 ILE A 54 9.115 -0.962 -6.562 1.00 0.00 H new ATOM 0 HG13 ILE A 54 9.282 -2.355 -5.512 1.00 0.00 H new ATOM 0 HG21 ILE A 54 6.868 -2.110 -8.360 1.00 0.00 H new ATOM 0 HG22 ILE A 54 5.466 -1.675 -7.354 1.00 0.00 H new ATOM 0 HG23 ILE A 54 6.759 -0.486 -7.640 1.00 0.00 H new ATOM 0 HD11 ILE A 54 10.324 -2.787 -7.715 1.00 0.00 H new ATOM 0 HD12 ILE A 54 8.941 -3.877 -7.457 1.00 0.00 H new ATOM 0 HD13 ILE A 54 8.772 -2.462 -8.522 1.00 0.00 H new ATOM 841 N LEU A 55 4.777 -0.188 -4.388 1.00 0.00 N ATOM 842 CA LEU A 55 3.355 -0.104 -4.101 1.00 0.00 C ATOM 843 C LEU A 55 2.588 0.124 -5.405 1.00 0.00 C ATOM 844 O LEU A 55 2.814 1.115 -6.097 1.00 0.00 O ATOM 845 CB LEU A 55 3.086 0.961 -3.036 1.00 0.00 C ATOM 846 CG LEU A 55 1.651 1.489 -2.963 1.00 0.00 C ATOM 847 CD1 LEU A 55 0.886 0.840 -1.808 1.00 0.00 C ATOM 848 CD2 LEU A 55 1.633 3.017 -2.876 1.00 0.00 C ATOM 0 H LEU A 55 5.282 0.694 -4.305 1.00 0.00 H new ATOM 0 HA LEU A 55 2.996 -1.043 -3.679 1.00 0.00 H new ATOM 0 HB2 LEU A 55 3.350 0.548 -2.063 1.00 0.00 H new ATOM 0 HB3 LEU A 55 3.753 1.804 -3.216 1.00 0.00 H new ATOM 0 HG LEU A 55 1.138 1.213 -3.884 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -0.130 1.233 -1.779 1.00 0.00 H new ATOM 0 HD12 LEU A 55 0.854 -0.240 -1.954 1.00 0.00 H new ATOM 0 HD13 LEU A 55 1.389 1.064 -0.867 1.00 0.00 H new ATOM 0 HD21 LEU A 55 0.602 3.366 -2.825 1.00 0.00 H new ATOM 0 HD22 LEU A 55 2.169 3.337 -1.982 1.00 0.00 H new ATOM 0 HD23 LEU A 55 2.116 3.437 -3.758 1.00 0.00 H new ATOM 860 N GLU A 56 1.698 -0.812 -5.702 1.00 0.00 N ATOM 861 CA GLU A 56 0.897 -0.726 -6.911 1.00 0.00 C ATOM 862 C GLU A 56 -0.562 -0.427 -6.561 1.00 0.00 C ATOM 863 O GLU A 56 -1.151 -1.097 -5.714 1.00 0.00 O ATOM 864 CB GLU A 56 1.011 -2.009 -7.737 1.00 0.00 C ATOM 865 CG GLU A 56 2.476 -2.393 -7.954 1.00 0.00 C ATOM 866 CD GLU A 56 2.679 -3.022 -9.334 1.00 0.00 C ATOM 867 OE1 GLU A 56 1.877 -2.689 -10.233 1.00 0.00 O ATOM 868 OE2 GLU A 56 3.631 -3.822 -9.458 1.00 0.00 O ATOM 0 H GLU A 56 1.514 -1.634 -5.126 1.00 0.00 H new ATOM 0 HA GLU A 56 1.280 0.094 -7.519 1.00 0.00 H new ATOM 0 HB2 GLU A 56 0.490 -2.820 -7.229 1.00 0.00 H new ATOM 0 HB3 GLU A 56 0.521 -1.870 -8.701 1.00 0.00 H new ATOM 0 HG2 GLU A 56 3.106 -1.509 -7.857 1.00 0.00 H new ATOM 0 HG3 GLU A 56 2.790 -3.094 -7.181 1.00 0.00 H new ATOM 875 N MET A 57 -1.103 0.581 -7.231 1.00 0.00 N ATOM 876 CA MET A 57 -2.482 0.977 -7.001 1.00 0.00 C ATOM 877 C MET A 57 -3.390 0.483 -8.129 1.00 0.00 C ATOM 878 O MET A 57 -3.019 0.544 -9.300 1.00 0.00 O ATOM 879 CB MET A 57 -2.567 2.502 -6.907 1.00 0.00 C ATOM 880 CG MET A 57 -3.962 2.948 -6.467 1.00 0.00 C ATOM 881 SD MET A 57 -4.038 4.729 -6.389 1.00 0.00 S ATOM 882 CE MET A 57 -4.090 5.114 -8.131 1.00 0.00 C ATOM 0 H MET A 57 -0.611 1.135 -7.933 1.00 0.00 H new ATOM 0 HA MET A 57 -2.818 0.528 -6.067 1.00 0.00 H new ATOM 0 HB2 MET A 57 -1.824 2.868 -6.198 1.00 0.00 H new ATOM 0 HB3 MET A 57 -2.329 2.943 -7.875 1.00 0.00 H new ATOM 0 HG2 MET A 57 -4.710 2.574 -7.167 1.00 0.00 H new ATOM 0 HG3 MET A 57 -4.198 2.523 -5.491 1.00 0.00 H new ATOM 0 HE1 MET A 57 -4.472 6.126 -8.269 1.00 0.00 H new ATOM 0 HE2 MET A 57 -3.086 5.045 -8.549 1.00 0.00 H new ATOM 0 HE3 MET A 57 -4.744 4.407 -8.641 1.00 0.00 H new ATOM 892 N SER A 58 -4.562 0.006 -7.737 1.00 0.00 N ATOM 893 CA SER A 58 -5.525 -0.498 -8.701 1.00 0.00 C ATOM 894 C SER A 58 -6.864 0.223 -8.528 1.00 0.00 C ATOM 895 O SER A 58 -7.604 -0.052 -7.585 1.00 0.00 O ATOM 896 CB SER A 58 -5.713 -2.009 -8.553 1.00 0.00 C ATOM 897 OG SER A 58 -7.020 -2.425 -8.940 1.00 0.00 O ATOM 0 H SER A 58 -4.867 -0.042 -6.765 1.00 0.00 H new ATOM 0 HA SER A 58 -5.141 -0.303 -9.702 1.00 0.00 H new ATOM 0 HB2 SER A 58 -4.972 -2.528 -9.162 1.00 0.00 H new ATOM 0 HB3 SER A 58 -5.533 -2.297 -7.517 1.00 0.00 H new ATOM 0 HG SER A 58 -7.100 -2.387 -9.916 1.00 0.00 H new ATOM 903 N GLU A 59 -7.134 1.131 -9.454 1.00 0.00 N ATOM 904 CA GLU A 59 -8.371 1.893 -9.416 1.00 0.00 C ATOM 905 C GLU A 59 -9.558 0.996 -9.775 1.00 0.00 C ATOM 906 O GLU A 59 -9.520 -0.212 -9.546 1.00 0.00 O ATOM 907 CB GLU A 59 -8.297 3.104 -10.348 1.00 0.00 C ATOM 908 CG GLU A 59 -9.068 4.291 -9.767 1.00 0.00 C ATOM 909 CD GLU A 59 -9.414 5.307 -10.857 1.00 0.00 C ATOM 910 OE1 GLU A 59 -9.548 4.868 -12.020 1.00 0.00 O ATOM 911 OE2 GLU A 59 -9.538 6.499 -10.503 1.00 0.00 O ATOM 0 H GLU A 59 -6.518 1.356 -10.235 1.00 0.00 H new ATOM 0 HA GLU A 59 -8.516 2.265 -8.402 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -7.255 3.384 -10.504 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -8.707 2.842 -11.324 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -9.983 3.937 -9.291 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -8.471 4.773 -8.992 1.00 0.00 H new ATOM 918 N ASN A 60 -10.585 1.623 -10.331 1.00 0.00 N ATOM 919 CA ASN A 60 -11.781 0.897 -10.723 1.00 0.00 C ATOM 920 C ASN A 60 -11.440 -0.057 -11.870 1.00 0.00 C ATOM 921 O ASN A 60 -11.433 0.343 -13.033 1.00 0.00 O ATOM 922 CB ASN A 60 -12.870 1.853 -11.211 1.00 0.00 C ATOM 923 CG ASN A 60 -13.959 2.031 -10.151 1.00 0.00 C ATOM 924 OD1 ASN A 60 -14.529 1.079 -9.643 1.00 0.00 O ATOM 925 ND2 ASN A 60 -14.216 3.300 -9.847 1.00 0.00 N ATOM 0 H ASN A 60 -10.613 2.625 -10.519 1.00 0.00 H new ATOM 0 HA ASN A 60 -12.145 0.351 -9.853 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -12.429 2.821 -11.450 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -13.312 1.468 -12.130 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -14.927 3.524 -9.151 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -13.702 4.050 -10.310 1.00 0.00 H new ATOM 932 N ASN A 61 -11.167 -1.300 -11.502 1.00 0.00 N ATOM 933 CA ASN A 61 -10.826 -2.314 -12.486 1.00 0.00 C ATOM 934 C ASN A 61 -9.527 -1.919 -13.190 1.00 0.00 C ATOM 935 O ASN A 61 -9.172 -2.497 -14.216 1.00 0.00 O ATOM 936 CB ASN A 61 -11.920 -2.440 -13.548 1.00 0.00 C ATOM 937 CG ASN A 61 -12.257 -3.908 -13.817 1.00 0.00 C ATOM 938 OD1 ASN A 61 -11.390 -4.749 -13.989 1.00 0.00 O ATOM 939 ND2 ASN A 61 -13.561 -4.167 -13.844 1.00 0.00 N ATOM 0 H ASN A 61 -11.175 -1.628 -10.536 1.00 0.00 H new ATOM 0 HA ASN A 61 -10.717 -3.266 -11.966 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -12.815 -1.912 -13.218 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -11.592 -1.963 -14.472 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -13.889 -5.117 -14.017 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -14.234 -3.415 -13.692 1.00 0.00 H new ATOM 946 N ALA A 62 -8.852 -0.937 -12.610 1.00 0.00 N ATOM 947 CA ALA A 62 -7.599 -0.459 -13.169 1.00 0.00 C ATOM 948 C ALA A 62 -6.490 -1.467 -12.861 1.00 0.00 C ATOM 949 O ALA A 62 -6.512 -2.120 -11.819 1.00 0.00 O ATOM 950 CB ALA A 62 -7.291 0.934 -12.615 1.00 0.00 C ATOM 0 H ALA A 62 -9.149 -0.460 -11.759 1.00 0.00 H new ATOM 0 HA ALA A 62 -7.672 -0.370 -14.253 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -6.351 1.293 -13.034 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -8.094 1.619 -12.886 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -7.208 0.884 -11.529 1.00 0.00 H new ATOM 956 N PRO A 63 -5.522 -1.564 -13.812 1.00 0.00 N ATOM 957 CA PRO A 63 -4.406 -2.482 -13.652 1.00 0.00 C ATOM 958 C PRO A 63 -3.399 -1.948 -12.632 1.00 0.00 C ATOM 959 O PRO A 63 -3.171 -0.742 -12.551 1.00 0.00 O ATOM 960 CB PRO A 63 -3.818 -2.631 -15.046 1.00 0.00 C ATOM 961 CG PRO A 63 -4.327 -1.441 -15.843 1.00 0.00 C ATOM 962 CD PRO A 63 -5.464 -0.806 -15.058 1.00 0.00 C ATOM 0 HA PRO A 63 -4.711 -3.451 -13.257 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -2.729 -2.641 -15.011 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -4.131 -3.570 -15.503 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -3.526 -0.720 -16.006 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -4.673 -1.760 -16.826 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -5.274 0.251 -14.870 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -6.405 -0.868 -15.604 1.00 0.00 H new ATOM 970 N TRP A 64 -2.823 -2.873 -11.877 1.00 0.00 N ATOM 971 CA TRP A 64 -1.846 -2.511 -10.865 1.00 0.00 C ATOM 972 C TRP A 64 -0.891 -1.484 -11.476 1.00 0.00 C ATOM 973 O TRP A 64 -0.075 -1.822 -12.333 1.00 0.00 O ATOM 974 CB TRP A 64 -1.127 -3.750 -10.329 1.00 0.00 C ATOM 975 CG TRP A 64 -2.066 -4.823 -9.774 1.00 0.00 C ATOM 976 CD1 TRP A 64 -2.281 -6.057 -10.249 1.00 0.00 C ATOM 977 CD2 TRP A 64 -2.914 -4.706 -8.612 1.00 0.00 C ATOM 978 NE1 TRP A 64 -3.202 -6.742 -9.481 1.00 0.00 N ATOM 979 CE2 TRP A 64 -3.599 -5.894 -8.454 1.00 0.00 C ATOM 980 CE3 TRP A 64 -3.096 -3.632 -7.723 1.00 0.00 C ATOM 981 CZ2 TRP A 64 -4.512 -6.120 -7.417 1.00 0.00 C ATOM 982 CZ3 TRP A 64 -4.012 -3.874 -6.692 1.00 0.00 C ATOM 983 CH2 TRP A 64 -4.709 -5.064 -6.520 1.00 0.00 C ATOM 0 H TRP A 64 -3.015 -3.872 -11.946 1.00 0.00 H new ATOM 0 HA TRP A 64 -2.335 -2.061 -10.001 1.00 0.00 H new ATOM 0 HB2 TRP A 64 -0.528 -4.185 -11.129 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -0.436 -3.445 -9.543 1.00 0.00 H new ATOM 0 HD1 TRP A 64 -1.795 -6.465 -11.123 1.00 0.00 H new ATOM 0 HE1 TRP A 64 -3.530 -7.695 -9.639 1.00 0.00 H new ATOM 0 HE3 TRP A 64 -2.571 -2.694 -7.827 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -5.036 -7.059 -7.315 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 -4.189 -3.081 -5.981 1.00 0.00 H new ATOM 0 HH2 TRP A 64 -5.400 -5.173 -5.697 1.00 0.00 H new ATOM 994 N THR A 65 -1.023 -0.250 -11.012 1.00 0.00 N ATOM 995 CA THR A 65 -0.182 0.829 -11.502 1.00 0.00 C ATOM 996 C THR A 65 0.858 1.215 -10.448 1.00 0.00 C ATOM 997 O THR A 65 0.507 1.695 -9.371 1.00 0.00 O ATOM 998 CB THR A 65 -1.092 1.989 -11.912 1.00 0.00 C ATOM 999 OG1 THR A 65 -0.349 2.674 -12.917 1.00 0.00 O ATOM 1000 CG2 THR A 65 -1.257 3.025 -10.798 1.00 0.00 C ATOM 0 H THR A 65 -1.700 0.027 -10.301 1.00 0.00 H new ATOM 0 HA THR A 65 0.388 0.520 -12.378 1.00 0.00 H new ATOM 0 HB THR A 65 -2.071 1.601 -12.194 1.00 0.00 H new ATOM 0 HG1 THR A 65 -0.866 3.441 -13.241 1.00 0.00 H new ATOM 0 HG21 THR A 65 -1.912 3.826 -11.140 1.00 0.00 H new ATOM 0 HG22 THR A 65 -1.695 2.549 -9.920 1.00 0.00 H new ATOM 0 HG23 THR A 65 -0.282 3.439 -10.538 1.00 0.00 H new ATOM 1008 N VAL A 66 2.116 0.991 -10.796 1.00 0.00 N ATOM 1009 CA VAL A 66 3.210 1.310 -9.893 1.00 0.00 C ATOM 1010 C VAL A 66 3.130 2.788 -9.504 1.00 0.00 C ATOM 1011 O VAL A 66 3.534 3.659 -10.273 1.00 0.00 O ATOM 1012 CB VAL A 66 4.546 0.933 -10.536 1.00 0.00 C ATOM 1013 CG1 VAL A 66 5.720 1.484 -9.724 1.00 0.00 C ATOM 1014 CG2 VAL A 66 4.662 -0.583 -10.709 1.00 0.00 C ATOM 0 H VAL A 66 2.403 0.593 -11.690 1.00 0.00 H new ATOM 0 HA VAL A 66 3.130 0.727 -8.975 1.00 0.00 H new ATOM 0 HB VAL A 66 4.582 1.387 -11.526 1.00 0.00 H new ATOM 0 HG11 VAL A 66 6.658 1.202 -10.203 1.00 0.00 H new ATOM 0 HG12 VAL A 66 5.650 2.571 -9.675 1.00 0.00 H new ATOM 0 HG13 VAL A 66 5.690 1.073 -8.715 1.00 0.00 H new ATOM 0 HG21 VAL A 66 5.621 -0.825 -11.168 1.00 0.00 H new ATOM 0 HG22 VAL A 66 4.594 -1.067 -9.735 1.00 0.00 H new ATOM 0 HG23 VAL A 66 3.854 -0.939 -11.348 1.00 0.00 H new ATOM 1024 N LEU A 67 2.606 3.025 -8.310 1.00 0.00 N ATOM 1025 CA LEU A 67 2.468 4.382 -7.810 1.00 0.00 C ATOM 1026 C LEU A 67 3.800 4.838 -7.211 1.00 0.00 C ATOM 1027 O LEU A 67 4.345 5.865 -7.612 1.00 0.00 O ATOM 1028 CB LEU A 67 1.292 4.476 -6.836 1.00 0.00 C ATOM 1029 CG LEU A 67 0.811 5.889 -6.500 1.00 0.00 C ATOM 1030 CD1 LEU A 67 0.070 6.512 -7.685 1.00 0.00 C ATOM 1031 CD2 LEU A 67 -0.039 5.892 -5.228 1.00 0.00 C ATOM 0 H LEU A 67 2.272 2.300 -7.675 1.00 0.00 H new ATOM 0 HA LEU A 67 2.233 5.067 -8.625 1.00 0.00 H new ATOM 0 HB2 LEU A 67 0.454 3.918 -7.254 1.00 0.00 H new ATOM 0 HB3 LEU A 67 1.574 3.979 -5.908 1.00 0.00 H new ATOM 0 HG LEU A 67 1.686 6.509 -6.304 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -0.261 7.516 -7.420 1.00 0.00 H new ATOM 0 HD12 LEU A 67 0.738 6.566 -8.545 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -0.796 5.899 -7.936 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -0.368 6.909 -5.012 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -0.910 5.252 -5.371 1.00 0.00 H new ATOM 0 HD23 LEU A 67 0.554 5.518 -4.393 1.00 0.00 H new ATOM 1043 N LEU A 68 4.286 4.051 -6.262 1.00 0.00 N ATOM 1044 CA LEU A 68 5.544 4.362 -5.605 1.00 0.00 C ATOM 1045 C LEU A 68 6.550 3.243 -5.883 1.00 0.00 C ATOM 1046 O LEU A 68 6.398 2.129 -5.384 1.00 0.00 O ATOM 1047 CB LEU A 68 5.319 4.630 -4.116 1.00 0.00 C ATOM 1048 CG LEU A 68 5.813 5.981 -3.595 1.00 0.00 C ATOM 1049 CD1 LEU A 68 5.194 6.303 -2.233 1.00 0.00 C ATOM 1050 CD2 LEU A 68 7.341 6.029 -3.557 1.00 0.00 C ATOM 0 H LEU A 68 3.832 3.199 -5.933 1.00 0.00 H new ATOM 0 HA LEU A 68 5.968 5.281 -6.010 1.00 0.00 H new ATOM 0 HB2 LEU A 68 4.251 4.552 -3.911 1.00 0.00 H new ATOM 0 HB3 LEU A 68 5.811 3.842 -3.547 1.00 0.00 H new ATOM 0 HG LEU A 68 5.485 6.755 -4.288 1.00 0.00 H new ATOM 0 HD11 LEU A 68 5.562 7.268 -1.885 1.00 0.00 H new ATOM 0 HD12 LEU A 68 4.109 6.340 -2.326 1.00 0.00 H new ATOM 0 HD13 LEU A 68 5.470 5.530 -1.516 1.00 0.00 H new ATOM 0 HD21 LEU A 68 7.665 7.000 -3.183 1.00 0.00 H new ATOM 0 HD22 LEU A 68 7.713 5.244 -2.899 1.00 0.00 H new ATOM 0 HD23 LEU A 68 7.735 5.877 -4.562 1.00 0.00 H new ATOM 1062 N ALA A 69 7.555 3.578 -6.679 1.00 0.00 N ATOM 1063 CA ALA A 69 8.585 2.615 -7.030 1.00 0.00 C ATOM 1064 C ALA A 69 9.660 2.606 -5.942 1.00 0.00 C ATOM 1065 O ALA A 69 10.261 1.569 -5.666 1.00 0.00 O ATOM 1066 CB ALA A 69 9.154 2.955 -8.409 1.00 0.00 C ATOM 0 H ALA A 69 7.678 4.503 -7.091 1.00 0.00 H new ATOM 0 HA ALA A 69 8.167 1.610 -7.089 1.00 0.00 H new ATOM 0 HB1 ALA A 69 9.927 2.233 -8.672 1.00 0.00 H new ATOM 0 HB2 ALA A 69 8.356 2.919 -9.151 1.00 0.00 H new ATOM 0 HB3 ALA A 69 9.585 3.956 -8.388 1.00 0.00 H new ATOM 1072 N SER A 70 9.870 3.774 -5.352 1.00 0.00 N ATOM 1073 CA SER A 70 10.863 3.914 -4.300 1.00 0.00 C ATOM 1074 C SER A 70 10.172 4.170 -2.960 1.00 0.00 C ATOM 1075 O SER A 70 9.744 5.289 -2.681 1.00 0.00 O ATOM 1076 CB SER A 70 11.844 5.045 -4.616 1.00 0.00 C ATOM 1077 OG SER A 70 12.797 5.231 -3.573 1.00 0.00 O ATOM 0 H SER A 70 9.369 4.632 -5.583 1.00 0.00 H new ATOM 0 HA SER A 70 11.429 2.985 -4.238 1.00 0.00 H new ATOM 0 HB2 SER A 70 12.365 4.824 -5.548 1.00 0.00 H new ATOM 0 HB3 SER A 70 11.291 5.972 -4.772 1.00 0.00 H new ATOM 0 HG SER A 70 13.406 5.960 -3.813 1.00 0.00 H new ATOM 1083 N VAL A 71 10.083 3.114 -2.165 1.00 0.00 N ATOM 1084 CA VAL A 71 9.451 3.210 -0.860 1.00 0.00 C ATOM 1085 C VAL A 71 10.461 2.820 0.221 1.00 0.00 C ATOM 1086 O VAL A 71 11.337 1.989 -0.014 1.00 0.00 O ATOM 1087 CB VAL A 71 8.182 2.355 -0.829 1.00 0.00 C ATOM 1088 CG1 VAL A 71 7.610 2.275 0.588 1.00 0.00 C ATOM 1089 CG2 VAL A 71 7.139 2.887 -1.813 1.00 0.00 C ATOM 0 H VAL A 71 10.438 2.187 -2.399 1.00 0.00 H new ATOM 0 HA VAL A 71 9.141 4.236 -0.660 1.00 0.00 H new ATOM 0 HB VAL A 71 8.450 1.345 -1.139 1.00 0.00 H new ATOM 0 HG11 VAL A 71 6.709 1.662 0.583 1.00 0.00 H new ATOM 0 HG12 VAL A 71 8.349 1.829 1.254 1.00 0.00 H new ATOM 0 HG13 VAL A 71 7.365 3.278 0.938 1.00 0.00 H new ATOM 0 HG21 VAL A 71 6.247 2.262 -1.771 1.00 0.00 H new ATOM 0 HG22 VAL A 71 6.877 3.911 -1.547 1.00 0.00 H new ATOM 0 HG23 VAL A 71 7.549 2.868 -2.823 1.00 0.00 H new ATOM 1099 N ASP A 72 10.305 3.438 1.382 1.00 0.00 N ATOM 1100 CA ASP A 72 11.193 3.166 2.500 1.00 0.00 C ATOM 1101 C ASP A 72 10.931 1.751 3.021 1.00 0.00 C ATOM 1102 O ASP A 72 9.780 1.337 3.152 1.00 0.00 O ATOM 1103 CB ASP A 72 10.947 4.146 3.650 1.00 0.00 C ATOM 1104 CG ASP A 72 12.053 5.181 3.864 1.00 0.00 C ATOM 1105 OD1 ASP A 72 12.384 5.871 2.875 1.00 0.00 O ATOM 1106 OD2 ASP A 72 12.542 5.260 5.011 1.00 0.00 O ATOM 0 H ASP A 72 9.577 4.126 1.573 1.00 0.00 H new ATOM 0 HA ASP A 72 12.219 3.272 2.149 1.00 0.00 H new ATOM 0 HB2 ASP A 72 10.009 4.671 3.466 1.00 0.00 H new ATOM 0 HB3 ASP A 72 10.819 3.577 4.571 1.00 0.00 H new ATOM 1111 N PRO A 73 12.047 1.030 3.311 1.00 0.00 N ATOM 1112 CA PRO A 73 11.950 -0.329 3.815 1.00 0.00 C ATOM 1113 C PRO A 73 11.519 -0.341 5.283 1.00 0.00 C ATOM 1114 O PRO A 73 11.011 -1.346 5.776 1.00 0.00 O ATOM 1115 CB PRO A 73 13.329 -0.930 3.596 1.00 0.00 C ATOM 1116 CG PRO A 73 14.271 0.248 3.410 1.00 0.00 C ATOM 1117 CD PRO A 73 13.426 1.488 3.168 1.00 0.00 C ATOM 0 HA PRO A 73 11.189 -0.915 3.300 1.00 0.00 H new ATOM 0 HB2 PRO A 73 13.629 -1.540 4.448 1.00 0.00 H new ATOM 0 HB3 PRO A 73 13.338 -1.579 2.721 1.00 0.00 H new ATOM 0 HG2 PRO A 73 14.897 0.379 4.293 1.00 0.00 H new ATOM 0 HG3 PRO A 73 14.940 0.072 2.568 1.00 0.00 H new ATOM 0 HD2 PRO A 73 13.659 2.273 3.887 1.00 0.00 H new ATOM 0 HD3 PRO A 73 13.605 1.902 2.176 1.00 0.00 H new ATOM 1125 N LYS A 74 11.737 0.789 5.939 1.00 0.00 N ATOM 1126 CA LYS A 74 11.378 0.922 7.341 1.00 0.00 C ATOM 1127 C LYS A 74 9.953 1.469 7.448 1.00 0.00 C ATOM 1128 O LYS A 74 9.421 1.614 8.547 1.00 0.00 O ATOM 1129 CB LYS A 74 12.417 1.764 8.083 1.00 0.00 C ATOM 1130 CG LYS A 74 13.826 1.202 7.877 1.00 0.00 C ATOM 1131 CD LYS A 74 14.658 1.325 9.155 1.00 0.00 C ATOM 1132 CE LYS A 74 14.718 2.778 9.633 1.00 0.00 C ATOM 1133 NZ LYS A 74 14.877 2.834 11.103 1.00 0.00 N ATOM 0 H LYS A 74 12.158 1.621 5.526 1.00 0.00 H new ATOM 0 HA LYS A 74 11.384 -0.052 7.830 1.00 0.00 H new ATOM 0 HB2 LYS A 74 12.377 2.794 7.728 1.00 0.00 H new ATOM 0 HB3 LYS A 74 12.181 1.784 9.147 1.00 0.00 H new ATOM 0 HG2 LYS A 74 13.764 0.155 7.579 1.00 0.00 H new ATOM 0 HG3 LYS A 74 14.319 1.736 7.065 1.00 0.00 H new ATOM 0 HD2 LYS A 74 14.226 0.699 9.936 1.00 0.00 H new ATOM 0 HD3 LYS A 74 15.667 0.956 8.973 1.00 0.00 H new ATOM 0 HE2 LYS A 74 15.550 3.291 9.152 1.00 0.00 H new ATOM 0 HE3 LYS A 74 13.808 3.301 9.340 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 14.916 3.827 11.410 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 14.069 2.362 11.558 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 15.758 2.352 11.376 1.00 0.00 H new ATOM 1147 N ALA A 75 9.376 1.759 6.291 1.00 0.00 N ATOM 1148 CA ALA A 75 8.024 2.288 6.240 1.00 0.00 C ATOM 1149 C ALA A 75 7.033 1.130 6.098 1.00 0.00 C ATOM 1150 O ALA A 75 7.179 0.290 5.211 1.00 0.00 O ATOM 1151 CB ALA A 75 7.911 3.296 5.095 1.00 0.00 C ATOM 0 H ALA A 75 9.821 1.637 5.381 1.00 0.00 H new ATOM 0 HA ALA A 75 7.784 2.816 7.163 1.00 0.00 H new ATOM 0 HB1 ALA A 75 6.896 3.692 5.058 1.00 0.00 H new ATOM 0 HB2 ALA A 75 8.614 4.113 5.259 1.00 0.00 H new ATOM 0 HB3 ALA A 75 8.142 2.802 4.151 1.00 0.00 H new ATOM 1157 N THR A 76 6.049 1.123 6.984 1.00 0.00 N ATOM 1158 CA THR A 76 5.035 0.083 6.968 1.00 0.00 C ATOM 1159 C THR A 76 3.679 0.666 6.564 1.00 0.00 C ATOM 1160 O THR A 76 2.685 -0.056 6.494 1.00 0.00 O ATOM 1161 CB THR A 76 5.023 -0.587 8.344 1.00 0.00 C ATOM 1162 OG1 THR A 76 5.265 0.483 9.253 1.00 0.00 O ATOM 1163 CG2 THR A 76 6.213 -1.526 8.548 1.00 0.00 C ATOM 0 H THR A 76 5.932 1.821 7.718 1.00 0.00 H new ATOM 0 HA THR A 76 5.261 -0.678 6.222 1.00 0.00 H new ATOM 0 HB THR A 76 4.095 -1.145 8.468 1.00 0.00 H new ATOM 0 HG1 THR A 76 4.645 1.218 9.066 1.00 0.00 H new ATOM 0 HG21 THR A 76 6.156 -1.975 9.540 1.00 0.00 H new ATOM 0 HG22 THR A 76 6.191 -2.311 7.792 1.00 0.00 H new ATOM 0 HG23 THR A 76 7.141 -0.962 8.458 1.00 0.00 H new ATOM 1171 N SER A 77 3.682 1.966 6.309 1.00 0.00 N ATOM 1172 CA SER A 77 2.464 2.653 5.914 1.00 0.00 C ATOM 1173 C SER A 77 2.784 3.726 4.871 1.00 0.00 C ATOM 1174 O SER A 77 3.882 4.281 4.863 1.00 0.00 O ATOM 1175 CB SER A 77 1.769 3.281 7.124 1.00 0.00 C ATOM 1176 OG SER A 77 2.698 3.876 8.025 1.00 0.00 O ATOM 0 H SER A 77 4.508 2.562 6.368 1.00 0.00 H new ATOM 0 HA SER A 77 1.784 1.921 5.477 1.00 0.00 H new ATOM 0 HB2 SER A 77 1.060 4.036 6.783 1.00 0.00 H new ATOM 0 HB3 SER A 77 1.194 2.518 7.648 1.00 0.00 H new ATOM 0 HG SER A 77 2.215 4.267 8.783 1.00 0.00 H new ATOM 1182 N VAL A 78 1.806 3.985 4.015 1.00 0.00 N ATOM 1183 CA VAL A 78 1.970 4.981 2.970 1.00 0.00 C ATOM 1184 C VAL A 78 0.645 5.717 2.762 1.00 0.00 C ATOM 1185 O VAL A 78 -0.418 5.195 3.091 1.00 0.00 O ATOM 1186 CB VAL A 78 2.493 4.319 1.694 1.00 0.00 C ATOM 1187 CG1 VAL A 78 1.368 3.598 0.949 1.00 0.00 C ATOM 1188 CG2 VAL A 78 3.182 5.342 0.789 1.00 0.00 C ATOM 0 H VAL A 78 0.897 3.522 4.024 1.00 0.00 H new ATOM 0 HA VAL A 78 2.712 5.724 3.262 1.00 0.00 H new ATOM 0 HB VAL A 78 3.234 3.574 1.983 1.00 0.00 H new ATOM 0 HG11 VAL A 78 1.767 3.136 0.046 1.00 0.00 H new ATOM 0 HG12 VAL A 78 0.941 2.828 1.592 1.00 0.00 H new ATOM 0 HG13 VAL A 78 0.593 4.315 0.678 1.00 0.00 H new ATOM 0 HG21 VAL A 78 3.545 4.846 -0.111 1.00 0.00 H new ATOM 0 HG22 VAL A 78 2.471 6.120 0.513 1.00 0.00 H new ATOM 0 HG23 VAL A 78 4.022 5.790 1.320 1.00 0.00 H new ATOM 1198 N THR A 79 0.753 6.920 2.215 1.00 0.00 N ATOM 1199 CA THR A 79 -0.423 7.733 1.959 1.00 0.00 C ATOM 1200 C THR A 79 -0.530 8.062 0.469 1.00 0.00 C ATOM 1201 O THR A 79 0.467 8.395 -0.170 1.00 0.00 O ATOM 1202 CB THR A 79 -0.343 8.974 2.850 1.00 0.00 C ATOM 1203 OG1 THR A 79 -0.182 8.448 4.165 1.00 0.00 O ATOM 1204 CG2 THR A 79 -1.668 9.736 2.914 1.00 0.00 C ATOM 0 H THR A 79 1.637 7.350 1.942 1.00 0.00 H new ATOM 0 HA THR A 79 -1.337 7.194 2.208 1.00 0.00 H new ATOM 0 HB THR A 79 0.439 9.636 2.479 1.00 0.00 H new ATOM 0 HG1 THR A 79 -0.120 9.186 4.807 1.00 0.00 H new ATOM 0 HG21 THR A 79 -1.556 10.607 3.559 1.00 0.00 H new ATOM 0 HG22 THR A 79 -1.950 10.060 1.912 1.00 0.00 H new ATOM 0 HG23 THR A 79 -2.444 9.084 3.316 1.00 0.00 H new ATOM 1212 N VAL A 80 -1.748 7.956 -0.042 1.00 0.00 N ATOM 1213 CA VAL A 80 -1.998 8.237 -1.446 1.00 0.00 C ATOM 1214 C VAL A 80 -2.885 9.478 -1.562 1.00 0.00 C ATOM 1215 O VAL A 80 -4.097 9.400 -1.362 1.00 0.00 O ATOM 1216 CB VAL A 80 -2.599 7.006 -2.127 1.00 0.00 C ATOM 1217 CG1 VAL A 80 -2.813 7.257 -3.621 1.00 0.00 C ATOM 1218 CG2 VAL A 80 -1.726 5.771 -1.897 1.00 0.00 C ATOM 0 H VAL A 80 -2.573 7.679 0.491 1.00 0.00 H new ATOM 0 HA VAL A 80 -1.064 8.455 -1.965 1.00 0.00 H new ATOM 0 HB VAL A 80 -3.573 6.815 -1.676 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -3.241 6.367 -4.082 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -3.494 8.098 -3.755 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -1.857 7.485 -4.092 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -2.176 4.910 -2.392 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -0.732 5.947 -2.308 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -1.647 5.575 -0.828 1.00 0.00 H new ATOM 1228 N LYS A 81 -2.248 10.594 -1.885 1.00 0.00 N ATOM 1229 CA LYS A 81 -2.965 11.850 -2.031 1.00 0.00 C ATOM 1230 C LYS A 81 -3.413 12.011 -3.485 1.00 0.00 C ATOM 1231 O LYS A 81 -2.919 11.315 -4.371 1.00 0.00 O ATOM 1232 CB LYS A 81 -2.116 13.014 -1.517 1.00 0.00 C ATOM 1233 CG LYS A 81 -1.549 12.708 -0.129 1.00 0.00 C ATOM 1234 CD LYS A 81 -0.223 13.437 0.095 1.00 0.00 C ATOM 1235 CE LYS A 81 0.799 12.522 0.774 1.00 0.00 C ATOM 1236 NZ LYS A 81 2.095 12.573 0.061 1.00 0.00 N ATOM 0 H LYS A 81 -1.243 10.655 -2.050 1.00 0.00 H new ATOM 0 HA LYS A 81 -3.866 11.847 -1.418 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -1.300 13.208 -2.213 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -2.721 13.920 -1.475 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -2.266 13.008 0.635 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -1.400 11.634 -0.022 1.00 0.00 H new ATOM 0 HD2 LYS A 81 0.172 13.783 -0.860 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -0.390 14.321 0.710 1.00 0.00 H new ATOM 0 HE2 LYS A 81 0.936 12.827 1.812 1.00 0.00 H new ATOM 0 HE3 LYS A 81 0.426 11.498 0.789 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 2.777 11.947 0.535 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 1.963 12.261 -0.922 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 2.457 13.548 0.069 1.00 0.00 H new ATOM 1250 N GLY A 82 -4.343 12.932 -3.685 1.00 0.00 N ATOM 1251 CA GLY A 82 -4.863 13.194 -5.017 1.00 0.00 C ATOM 1252 C GLY A 82 -5.668 12.000 -5.535 1.00 0.00 C ATOM 1253 O GLY A 82 -5.238 11.310 -6.458 1.00 0.00 O ATOM 0 H GLY A 82 -4.751 13.507 -2.947 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -5.495 14.082 -4.997 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -4.039 13.405 -5.698 1.00 0.00 H new ATOM 1257 N LEU A 83 -6.822 11.793 -4.918 1.00 0.00 N ATOM 1258 CA LEU A 83 -7.691 10.694 -5.305 1.00 0.00 C ATOM 1259 C LEU A 83 -9.033 11.255 -5.780 1.00 0.00 C ATOM 1260 O LEU A 83 -9.431 12.348 -5.378 1.00 0.00 O ATOM 1261 CB LEU A 83 -7.816 9.682 -4.164 1.00 0.00 C ATOM 1262 CG LEU A 83 -6.558 8.872 -3.845 1.00 0.00 C ATOM 1263 CD1 LEU A 83 -6.883 7.694 -2.924 1.00 0.00 C ATOM 1264 CD2 LEU A 83 -5.857 8.421 -5.128 1.00 0.00 C ATOM 0 H LEU A 83 -7.176 12.367 -4.153 1.00 0.00 H new ATOM 0 HA LEU A 83 -7.261 10.144 -6.142 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -8.119 10.216 -3.263 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -8.619 8.987 -4.408 1.00 0.00 H new ATOM 0 HG LEU A 83 -5.863 9.517 -3.308 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -5.971 7.135 -2.713 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -7.304 8.067 -1.990 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -7.605 7.039 -3.412 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -4.966 7.847 -4.873 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -6.534 7.799 -5.713 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -5.571 9.295 -5.713 1.00 0.00 H new ATOM 1276 N VAL A 84 -9.695 10.481 -6.627 1.00 0.00 N ATOM 1277 CA VAL A 84 -10.984 10.886 -7.161 1.00 0.00 C ATOM 1278 C VAL A 84 -12.096 10.357 -6.254 1.00 0.00 C ATOM 1279 O VAL A 84 -12.060 9.203 -5.830 1.00 0.00 O ATOM 1280 CB VAL A 84 -11.121 10.417 -8.611 1.00 0.00 C ATOM 1281 CG1 VAL A 84 -12.580 10.471 -9.069 1.00 0.00 C ATOM 1282 CG2 VAL A 84 -10.224 11.236 -9.540 1.00 0.00 C ATOM 0 H VAL A 84 -9.363 9.575 -6.957 1.00 0.00 H new ATOM 0 HA VAL A 84 -11.066 11.973 -7.176 1.00 0.00 H new ATOM 0 HB VAL A 84 -10.793 9.379 -8.659 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -12.650 10.133 -10.103 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -13.185 9.824 -8.434 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -12.946 11.495 -8.997 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -10.341 10.882 -10.564 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -10.507 12.287 -9.485 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -9.184 11.124 -9.234 1.00 0.00 H new ATOM 1292 N PRO A 85 -13.083 11.250 -5.974 1.00 0.00 N ATOM 1293 CA PRO A 85 -14.204 10.885 -5.124 1.00 0.00 C ATOM 1294 C PRO A 85 -15.186 9.980 -5.871 1.00 0.00 C ATOM 1295 O PRO A 85 -15.389 10.137 -7.074 1.00 0.00 O ATOM 1296 CB PRO A 85 -14.821 12.207 -4.697 1.00 0.00 C ATOM 1297 CG PRO A 85 -14.316 13.242 -5.689 1.00 0.00 C ATOM 1298 CD PRO A 85 -13.159 12.625 -6.458 1.00 0.00 C ATOM 0 HA PRO A 85 -13.900 10.303 -4.254 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -15.910 12.152 -4.710 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -14.527 12.465 -3.680 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -15.113 13.538 -6.371 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -13.991 14.143 -5.169 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -13.336 12.657 -7.533 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -12.229 13.162 -6.272 1.00 0.00 H new ATOM 1306 N ALA A 86 -15.770 9.052 -5.126 1.00 0.00 N ATOM 1307 CA ALA A 86 -16.726 8.122 -5.703 1.00 0.00 C ATOM 1308 C ALA A 86 -16.010 7.222 -6.712 1.00 0.00 C ATOM 1309 O ALA A 86 -16.473 7.057 -7.840 1.00 0.00 O ATOM 1310 CB ALA A 86 -17.881 8.902 -6.334 1.00 0.00 C ATOM 0 H ALA A 86 -15.599 8.925 -4.128 1.00 0.00 H new ATOM 0 HA ALA A 86 -17.150 7.480 -4.931 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -18.598 8.204 -6.767 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -18.375 9.502 -5.570 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -17.494 9.556 -7.116 1.00 0.00 H new ATOM 1316 N ARG A 87 -14.893 6.664 -6.271 1.00 0.00 N ATOM 1317 CA ARG A 87 -14.108 5.785 -7.122 1.00 0.00 C ATOM 1318 C ARG A 87 -13.404 4.720 -6.279 1.00 0.00 C ATOM 1319 O ARG A 87 -12.988 4.989 -5.153 1.00 0.00 O ATOM 1320 CB ARG A 87 -13.063 6.573 -7.913 1.00 0.00 C ATOM 1321 CG ARG A 87 -13.632 7.051 -9.250 1.00 0.00 C ATOM 1322 CD ARG A 87 -12.515 7.292 -10.267 1.00 0.00 C ATOM 1323 NE ARG A 87 -13.019 8.119 -11.386 1.00 0.00 N ATOM 1324 CZ ARG A 87 -12.233 8.720 -12.289 1.00 0.00 C ATOM 1325 NH1 ARG A 87 -10.902 8.590 -12.211 1.00 0.00 N ATOM 1326 NH2 ARG A 87 -12.778 9.452 -13.271 1.00 0.00 N ATOM 0 H ARG A 87 -14.512 6.803 -5.335 1.00 0.00 H new ATOM 0 HA ARG A 87 -14.791 5.305 -7.823 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -12.730 7.430 -7.328 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -12.188 5.948 -8.089 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -14.329 6.308 -9.639 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -14.197 7.971 -9.101 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -11.674 7.791 -9.785 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -12.145 6.339 -10.646 1.00 0.00 H new ATOM 0 HE ARG A 87 -14.028 8.239 -11.475 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -10.487 8.033 -11.464 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -10.304 9.048 -12.899 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -13.791 9.551 -13.331 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -12.179 9.910 -13.958 1.00 0.00 H new ATOM 1340 N SER A 88 -13.292 3.533 -6.856 1.00 0.00 N ATOM 1341 CA SER A 88 -12.645 2.426 -6.172 1.00 0.00 C ATOM 1342 C SER A 88 -11.125 2.554 -6.290 1.00 0.00 C ATOM 1343 O SER A 88 -10.613 2.984 -7.323 1.00 0.00 O ATOM 1344 CB SER A 88 -13.110 1.082 -6.737 1.00 0.00 C ATOM 1345 OG SER A 88 -12.030 0.333 -7.288 1.00 0.00 O ATOM 0 H SER A 88 -13.638 3.313 -7.790 1.00 0.00 H new ATOM 0 HA SER A 88 -12.926 2.464 -5.119 1.00 0.00 H new ATOM 0 HB2 SER A 88 -13.588 0.502 -5.947 1.00 0.00 H new ATOM 0 HB3 SER A 88 -13.863 1.253 -7.507 1.00 0.00 H new ATOM 0 HG SER A 88 -12.367 -0.519 -7.637 1.00 0.00 H new ATOM 1351 N TYR A 89 -10.446 2.174 -5.218 1.00 0.00 N ATOM 1352 CA TYR A 89 -8.995 2.241 -5.189 1.00 0.00 C ATOM 1353 C TYR A 89 -8.407 1.065 -4.407 1.00 0.00 C ATOM 1354 O TYR A 89 -8.878 0.741 -3.318 1.00 0.00 O ATOM 1355 CB TYR A 89 -8.647 3.543 -4.465 1.00 0.00 C ATOM 1356 CG TYR A 89 -8.707 4.786 -5.356 1.00 0.00 C ATOM 1357 CD1 TYR A 89 -7.779 4.957 -6.363 1.00 0.00 C ATOM 1358 CD2 TYR A 89 -9.688 5.734 -5.153 1.00 0.00 C ATOM 1359 CE1 TYR A 89 -7.835 6.127 -7.202 1.00 0.00 C ATOM 1360 CE2 TYR A 89 -9.744 6.903 -5.992 1.00 0.00 C ATOM 1361 CZ TYR A 89 -8.815 7.042 -6.975 1.00 0.00 C ATOM 1362 OH TYR A 89 -8.867 8.146 -7.767 1.00 0.00 O ATOM 0 H TYR A 89 -10.874 1.819 -4.363 1.00 0.00 H new ATOM 0 HA TYR A 89 -8.589 2.203 -6.200 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -9.332 3.675 -3.628 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -7.644 3.457 -4.046 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -7.011 4.214 -6.522 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -10.414 5.600 -4.365 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -7.115 6.274 -7.993 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -10.507 7.653 -5.844 1.00 0.00 H new ATOM 0 HH TYR A 89 -9.082 7.880 -8.685 1.00 0.00 H new ATOM 1372 N GLN A 90 -7.386 0.457 -4.993 1.00 0.00 N ATOM 1373 CA GLN A 90 -6.729 -0.677 -4.365 1.00 0.00 C ATOM 1374 C GLN A 90 -5.224 -0.426 -4.260 1.00 0.00 C ATOM 1375 O GLN A 90 -4.693 0.471 -4.912 1.00 0.00 O ATOM 1376 CB GLN A 90 -7.017 -1.971 -5.130 1.00 0.00 C ATOM 1377 CG GLN A 90 -8.263 -2.667 -4.579 1.00 0.00 C ATOM 1378 CD GLN A 90 -7.900 -3.616 -3.435 1.00 0.00 C ATOM 1379 OE1 GLN A 90 -6.858 -3.506 -2.810 1.00 0.00 O ATOM 1380 NE2 GLN A 90 -8.815 -4.552 -3.197 1.00 0.00 N ATOM 0 H GLN A 90 -6.997 0.728 -5.896 1.00 0.00 H new ATOM 0 HA GLN A 90 -7.130 -0.792 -3.358 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -7.158 -1.749 -6.188 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -6.160 -2.640 -5.056 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -8.974 -1.921 -4.225 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -8.755 -3.224 -5.376 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -9.666 -4.588 -3.758 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -8.666 -5.234 -2.453 1.00 0.00 H new ATOM 1389 N PHE A 91 -4.578 -1.235 -3.432 1.00 0.00 N ATOM 1390 CA PHE A 91 -3.144 -1.113 -3.233 1.00 0.00 C ATOM 1391 C PHE A 91 -2.518 -2.469 -2.904 1.00 0.00 C ATOM 1392 O PHE A 91 -3.194 -3.361 -2.393 1.00 0.00 O ATOM 1393 CB PHE A 91 -2.937 -0.168 -2.048 1.00 0.00 C ATOM 1394 CG PHE A 91 -3.462 1.250 -2.283 1.00 0.00 C ATOM 1395 CD1 PHE A 91 -2.790 2.097 -3.108 1.00 0.00 C ATOM 1396 CD2 PHE A 91 -4.602 1.664 -1.666 1.00 0.00 C ATOM 1397 CE1 PHE A 91 -3.278 3.412 -3.326 1.00 0.00 C ATOM 1398 CE2 PHE A 91 -5.090 2.979 -1.885 1.00 0.00 C ATOM 1399 CZ PHE A 91 -4.417 3.826 -2.710 1.00 0.00 C ATOM 0 H PHE A 91 -5.022 -1.977 -2.891 1.00 0.00 H new ATOM 0 HA PHE A 91 -2.673 -0.737 -4.141 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -3.432 -0.587 -1.172 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -1.873 -0.117 -1.819 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -1.885 1.769 -3.597 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -5.135 0.992 -1.010 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -2.744 4.084 -3.982 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -5.996 3.307 -1.397 1.00 0.00 H new ATOM 0 HZ PHE A 91 -4.787 4.827 -2.875 1.00 0.00 H new ATOM 1409 N ARG A 92 -1.234 -2.582 -3.210 1.00 0.00 N ATOM 1410 CA ARG A 92 -0.509 -3.815 -2.952 1.00 0.00 C ATOM 1411 C ARG A 92 0.985 -3.618 -3.219 1.00 0.00 C ATOM 1412 O ARG A 92 1.400 -3.468 -4.367 1.00 0.00 O ATOM 1413 CB ARG A 92 -1.031 -4.954 -3.831 1.00 0.00 C ATOM 1414 CG ARG A 92 -1.196 -4.496 -5.281 1.00 0.00 C ATOM 1415 CD ARG A 92 -1.276 -5.695 -6.229 1.00 0.00 C ATOM 1416 NE ARG A 92 -0.543 -5.401 -7.481 1.00 0.00 N ATOM 1417 CZ ARG A 92 -0.019 -6.338 -8.282 1.00 0.00 C ATOM 1418 NH1 ARG A 92 -0.144 -7.634 -7.968 1.00 0.00 N ATOM 1419 NH2 ARG A 92 0.630 -5.979 -9.398 1.00 0.00 N ATOM 0 H ARG A 92 -0.677 -1.840 -3.634 1.00 0.00 H new ATOM 0 HA ARG A 92 -0.663 -4.078 -1.905 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -0.341 -5.797 -3.788 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -1.988 -5.306 -3.446 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -2.099 -3.893 -5.375 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -0.357 -3.860 -5.563 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -0.853 -6.577 -5.749 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -2.318 -5.923 -6.453 1.00 0.00 H new ATOM 0 HE ARG A 92 -0.430 -4.424 -7.751 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -0.638 -7.908 -7.119 1.00 0.00 H new ATOM 0 HH12 ARG A 92 0.255 -8.347 -8.578 1.00 0.00 H new ATOM 0 HH21 ARG A 92 0.725 -4.992 -9.638 1.00 0.00 H new ATOM 0 HH22 ARG A 92 1.029 -6.693 -10.008 1.00 0.00 H new ATOM 1433 N LEU A 93 1.752 -3.626 -2.138 1.00 0.00 N ATOM 1434 CA LEU A 93 3.190 -3.450 -2.241 1.00 0.00 C ATOM 1435 C LEU A 93 3.886 -4.770 -1.904 1.00 0.00 C ATOM 1436 O LEU A 93 3.326 -5.610 -1.201 1.00 0.00 O ATOM 1437 CB LEU A 93 3.649 -2.274 -1.375 1.00 0.00 C ATOM 1438 CG LEU A 93 3.511 -2.461 0.137 1.00 0.00 C ATOM 1439 CD1 LEU A 93 4.452 -1.521 0.894 1.00 0.00 C ATOM 1440 CD2 LEU A 93 2.056 -2.292 0.579 1.00 0.00 C ATOM 0 H LEU A 93 1.404 -3.752 -1.187 1.00 0.00 H new ATOM 0 HA LEU A 93 3.470 -3.193 -3.262 1.00 0.00 H new ATOM 0 HB2 LEU A 93 4.695 -2.068 -1.602 1.00 0.00 H new ATOM 0 HB3 LEU A 93 3.080 -1.391 -1.665 1.00 0.00 H new ATOM 0 HG LEU A 93 3.807 -3.481 0.384 1.00 0.00 H new ATOM 0 HD11 LEU A 93 4.334 -1.674 1.967 1.00 0.00 H new ATOM 0 HD12 LEU A 93 5.483 -1.731 0.609 1.00 0.00 H new ATOM 0 HD13 LEU A 93 4.210 -0.487 0.646 1.00 0.00 H new ATOM 0 HD21 LEU A 93 1.985 -2.430 1.658 1.00 0.00 H new ATOM 0 HD22 LEU A 93 1.710 -1.292 0.317 1.00 0.00 H new ATOM 0 HD23 LEU A 93 1.435 -3.034 0.077 1.00 0.00 H new ATOM 1452 N CYS A 94 5.098 -4.912 -2.421 1.00 0.00 N ATOM 1453 CA CYS A 94 5.877 -6.115 -2.184 1.00 0.00 C ATOM 1454 C CYS A 94 7.172 -5.717 -1.473 1.00 0.00 C ATOM 1455 O CYS A 94 7.437 -4.533 -1.275 1.00 0.00 O ATOM 1456 CB CYS A 94 6.149 -6.878 -3.482 1.00 0.00 C ATOM 1457 SG CYS A 94 6.894 -5.756 -4.722 1.00 0.00 S ATOM 0 H CYS A 94 5.559 -4.213 -3.003 1.00 0.00 H new ATOM 0 HA CYS A 94 5.312 -6.798 -1.550 1.00 0.00 H new ATOM 0 HB2 CYS A 94 6.819 -7.715 -3.288 1.00 0.00 H new ATOM 0 HB3 CYS A 94 5.220 -7.296 -3.869 1.00 0.00 H new ATOM 0 HG CYS A 94 6.129 -5.700 -5.772 1.00 0.00 H new ATOM 1463 N ALA A 95 7.945 -6.730 -1.109 1.00 0.00 N ATOM 1464 CA ALA A 95 9.206 -6.501 -0.424 1.00 0.00 C ATOM 1465 C ALA A 95 10.358 -6.670 -1.417 1.00 0.00 C ATOM 1466 O ALA A 95 10.503 -7.726 -2.031 1.00 0.00 O ATOM 1467 CB ALA A 95 9.319 -7.452 0.769 1.00 0.00 C ATOM 0 H ALA A 95 7.722 -7.711 -1.276 1.00 0.00 H new ATOM 0 HA ALA A 95 9.253 -5.484 -0.035 1.00 0.00 H new ATOM 0 HB1 ALA A 95 10.265 -7.280 1.283 1.00 0.00 H new ATOM 0 HB2 ALA A 95 8.494 -7.271 1.458 1.00 0.00 H new ATOM 0 HB3 ALA A 95 9.279 -8.483 0.418 1.00 0.00 H new ATOM 1473 N VAL A 96 11.148 -5.614 -1.543 1.00 0.00 N ATOM 1474 CA VAL A 96 12.283 -5.633 -2.450 1.00 0.00 C ATOM 1475 C VAL A 96 13.570 -5.407 -1.654 1.00 0.00 C ATOM 1476 O VAL A 96 13.694 -4.418 -0.934 1.00 0.00 O ATOM 1477 CB VAL A 96 12.080 -4.602 -3.563 1.00 0.00 C ATOM 1478 CG1 VAL A 96 13.181 -4.712 -4.619 1.00 0.00 C ATOM 1479 CG2 VAL A 96 10.695 -4.747 -4.197 1.00 0.00 C ATOM 0 H VAL A 96 11.025 -4.740 -1.032 1.00 0.00 H new ATOM 0 HA VAL A 96 12.368 -6.605 -2.936 1.00 0.00 H new ATOM 0 HB VAL A 96 12.142 -3.609 -3.117 1.00 0.00 H new ATOM 0 HG11 VAL A 96 13.013 -3.969 -5.398 1.00 0.00 H new ATOM 0 HG12 VAL A 96 14.151 -4.537 -4.153 1.00 0.00 H new ATOM 0 HG13 VAL A 96 13.165 -5.709 -5.059 1.00 0.00 H new ATOM 0 HG21 VAL A 96 10.576 -4.003 -4.985 1.00 0.00 H new ATOM 0 HG22 VAL A 96 10.592 -5.745 -4.622 1.00 0.00 H new ATOM 0 HG23 VAL A 96 9.929 -4.596 -3.436 1.00 0.00 H new ATOM 1489 N ASN A 97 14.496 -6.342 -1.810 1.00 0.00 N ATOM 1490 CA ASN A 97 15.769 -6.258 -1.116 1.00 0.00 C ATOM 1491 C ASN A 97 16.899 -6.606 -2.087 1.00 0.00 C ATOM 1492 O ASN A 97 16.646 -7.058 -3.203 1.00 0.00 O ATOM 1493 CB ASN A 97 15.827 -7.247 0.050 1.00 0.00 C ATOM 1494 CG ASN A 97 15.905 -8.688 -0.456 1.00 0.00 C ATOM 1495 OD1 ASN A 97 15.909 -8.956 -1.647 1.00 0.00 O ATOM 1496 ND2 ASN A 97 15.967 -9.599 0.511 1.00 0.00 N ATOM 0 H ASN A 97 14.389 -7.162 -2.407 1.00 0.00 H new ATOM 0 HA ASN A 97 15.878 -5.243 -0.734 1.00 0.00 H new ATOM 0 HB2 ASN A 97 16.694 -7.029 0.673 1.00 0.00 H new ATOM 0 HB3 ASN A 97 14.945 -7.126 0.678 1.00 0.00 H new ATOM 0 HD21 ASN A 97 16.022 -10.590 0.275 1.00 0.00 H new ATOM 0 HD22 ASN A 97 15.960 -9.307 1.488 1.00 0.00 H new ATOM 1503 N ASP A 98 18.121 -6.383 -1.627 1.00 0.00 N ATOM 1504 CA ASP A 98 19.291 -6.667 -2.441 1.00 0.00 C ATOM 1505 C ASP A 98 19.078 -7.984 -3.190 1.00 0.00 C ATOM 1506 O ASP A 98 19.192 -8.032 -4.414 1.00 0.00 O ATOM 1507 CB ASP A 98 20.543 -6.813 -1.574 1.00 0.00 C ATOM 1508 CG ASP A 98 21.863 -6.848 -2.346 1.00 0.00 C ATOM 1509 OD1 ASP A 98 21.934 -6.151 -3.381 1.00 0.00 O ATOM 1510 OD2 ASP A 98 22.772 -7.570 -1.883 1.00 0.00 O ATOM 0 H ASP A 98 18.327 -6.009 -0.701 1.00 0.00 H new ATOM 0 HA ASP A 98 19.428 -5.838 -3.135 1.00 0.00 H new ATOM 0 HB2 ASP A 98 20.575 -5.985 -0.866 1.00 0.00 H new ATOM 0 HB3 ASP A 98 20.457 -7.729 -0.989 1.00 0.00 H new ATOM 1515 N VAL A 99 18.771 -9.020 -2.424 1.00 0.00 N ATOM 1516 CA VAL A 99 18.541 -10.334 -2.999 1.00 0.00 C ATOM 1517 C VAL A 99 17.620 -10.200 -4.214 1.00 0.00 C ATOM 1518 O VAL A 99 17.901 -10.754 -5.275 1.00 0.00 O ATOM 1519 CB VAL A 99 17.990 -11.284 -1.933 1.00 0.00 C ATOM 1520 CG1 VAL A 99 17.984 -12.729 -2.436 1.00 0.00 C ATOM 1521 CG2 VAL A 99 18.780 -11.160 -0.629 1.00 0.00 C ATOM 0 H VAL A 99 18.676 -8.976 -1.409 1.00 0.00 H new ATOM 0 HA VAL A 99 19.479 -10.767 -3.347 1.00 0.00 H new ATOM 0 HB VAL A 99 16.958 -10.997 -1.729 1.00 0.00 H new ATOM 0 HG11 VAL A 99 17.588 -13.383 -1.659 1.00 0.00 H new ATOM 0 HG12 VAL A 99 17.358 -12.802 -3.326 1.00 0.00 H new ATOM 0 HG13 VAL A 99 19.001 -13.033 -2.682 1.00 0.00 H new ATOM 0 HG21 VAL A 99 18.369 -11.845 0.112 1.00 0.00 H new ATOM 0 HG22 VAL A 99 19.825 -11.408 -0.812 1.00 0.00 H new ATOM 0 HG23 VAL A 99 18.710 -10.138 -0.257 1.00 0.00 H new ATOM 1531 N GLY A 100 16.537 -9.462 -4.016 1.00 0.00 N ATOM 1532 CA GLY A 100 15.573 -9.248 -5.082 1.00 0.00 C ATOM 1533 C GLY A 100 14.198 -8.889 -4.513 1.00 0.00 C ATOM 1534 O GLY A 100 14.091 -8.454 -3.368 1.00 0.00 O ATOM 0 H GLY A 100 16.306 -9.005 -3.134 1.00 0.00 H new ATOM 0 HA2 GLY A 100 15.920 -8.448 -5.736 1.00 0.00 H new ATOM 0 HA3 GLY A 100 15.495 -10.148 -5.692 1.00 0.00 H new ATOM 1538 N LYS A 101 13.182 -9.084 -5.341 1.00 0.00 N ATOM 1539 CA LYS A 101 11.819 -8.786 -4.935 1.00 0.00 C ATOM 1540 C LYS A 101 11.065 -10.096 -4.697 1.00 0.00 C ATOM 1541 O LYS A 101 11.251 -11.065 -5.430 1.00 0.00 O ATOM 1542 CB LYS A 101 11.146 -7.865 -5.955 1.00 0.00 C ATOM 1543 CG LYS A 101 9.670 -7.652 -5.611 1.00 0.00 C ATOM 1544 CD LYS A 101 8.839 -7.430 -6.876 1.00 0.00 C ATOM 1545 CE LYS A 101 9.312 -6.186 -7.631 1.00 0.00 C ATOM 1546 NZ LYS A 101 8.596 -6.059 -8.920 1.00 0.00 N ATOM 0 H LYS A 101 13.275 -9.444 -6.291 1.00 0.00 H new ATOM 0 HA LYS A 101 11.813 -8.238 -3.993 1.00 0.00 H new ATOM 0 HB2 LYS A 101 11.660 -6.904 -5.978 1.00 0.00 H new ATOM 0 HB3 LYS A 101 11.232 -8.296 -6.952 1.00 0.00 H new ATOM 0 HG2 LYS A 101 9.290 -8.519 -5.070 1.00 0.00 H new ATOM 0 HG3 LYS A 101 9.568 -6.792 -4.949 1.00 0.00 H new ATOM 0 HD2 LYS A 101 8.915 -8.304 -7.523 1.00 0.00 H new ATOM 0 HD3 LYS A 101 7.788 -7.321 -6.610 1.00 0.00 H new ATOM 0 HE2 LYS A 101 9.140 -5.297 -7.024 1.00 0.00 H new ATOM 0 HE3 LYS A 101 10.386 -6.248 -7.809 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 9.243 -5.679 -9.640 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 8.254 -6.994 -9.221 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 7.788 -5.415 -8.806 1.00 0.00 H new ATOM 1560 N GLY A 102 10.229 -10.081 -3.669 1.00 0.00 N ATOM 1561 CA GLY A 102 9.446 -11.256 -3.324 1.00 0.00 C ATOM 1562 C GLY A 102 8.078 -11.223 -4.009 1.00 0.00 C ATOM 1563 O GLY A 102 7.979 -11.444 -5.215 1.00 0.00 O ATOM 0 H GLY A 102 10.077 -9.274 -3.064 1.00 0.00 H new ATOM 0 HA2 GLY A 102 9.984 -12.156 -3.621 1.00 0.00 H new ATOM 0 HA3 GLY A 102 9.315 -11.305 -2.243 1.00 0.00 H new ATOM 1567 N GLN A 103 7.058 -10.945 -3.211 1.00 0.00 N ATOM 1568 CA GLN A 103 5.701 -10.880 -3.725 1.00 0.00 C ATOM 1569 C GLN A 103 4.965 -9.678 -3.130 1.00 0.00 C ATOM 1570 O GLN A 103 5.459 -9.041 -2.201 1.00 0.00 O ATOM 1571 CB GLN A 103 4.945 -12.180 -3.443 1.00 0.00 C ATOM 1572 CG GLN A 103 5.283 -12.720 -2.052 1.00 0.00 C ATOM 1573 CD GLN A 103 4.047 -13.328 -1.385 1.00 0.00 C ATOM 1574 OE1 GLN A 103 2.916 -12.993 -1.693 1.00 0.00 O ATOM 1575 NE2 GLN A 103 4.327 -14.239 -0.457 1.00 0.00 N ATOM 0 H GLN A 103 7.144 -10.762 -2.211 1.00 0.00 H new ATOM 0 HA GLN A 103 5.749 -10.753 -4.807 1.00 0.00 H new ATOM 0 HB2 GLN A 103 3.872 -12.004 -3.518 1.00 0.00 H new ATOM 0 HB3 GLN A 103 5.200 -12.924 -4.198 1.00 0.00 H new ATOM 0 HG2 GLN A 103 6.066 -13.474 -2.131 1.00 0.00 H new ATOM 0 HG3 GLN A 103 5.677 -11.915 -1.431 1.00 0.00 H new ATOM 0 HE21 GLN A 103 5.298 -14.473 -0.248 1.00 0.00 H new ATOM 0 HE22 GLN A 103 3.571 -14.704 0.046 1.00 0.00 H new ATOM 1584 N PHE A 104 3.795 -9.404 -3.690 1.00 0.00 N ATOM 1585 CA PHE A 104 2.986 -8.290 -3.226 1.00 0.00 C ATOM 1586 C PHE A 104 1.855 -8.775 -2.317 1.00 0.00 C ATOM 1587 O PHE A 104 1.304 -9.854 -2.527 1.00 0.00 O ATOM 1588 CB PHE A 104 2.380 -7.631 -4.466 1.00 0.00 C ATOM 1589 CG PHE A 104 3.416 -7.052 -5.433 1.00 0.00 C ATOM 1590 CD1 PHE A 104 4.281 -7.880 -6.078 1.00 0.00 C ATOM 1591 CD2 PHE A 104 3.471 -5.710 -5.646 1.00 0.00 C ATOM 1592 CE1 PHE A 104 5.242 -7.343 -6.974 1.00 0.00 C ATOM 1593 CE2 PHE A 104 4.433 -5.173 -6.543 1.00 0.00 C ATOM 1594 CZ PHE A 104 5.298 -6.001 -7.188 1.00 0.00 C ATOM 0 H PHE A 104 3.389 -9.934 -4.461 1.00 0.00 H new ATOM 0 HA PHE A 104 3.602 -7.595 -2.655 1.00 0.00 H new ATOM 0 HB2 PHE A 104 1.774 -8.366 -4.996 1.00 0.00 H new ATOM 0 HB3 PHE A 104 1.708 -6.833 -4.149 1.00 0.00 H new ATOM 0 HD1 PHE A 104 4.237 -8.946 -5.908 1.00 0.00 H new ATOM 0 HD2 PHE A 104 2.784 -5.053 -5.134 1.00 0.00 H new ATOM 0 HE1 PHE A 104 5.929 -8.000 -7.486 1.00 0.00 H new ATOM 0 HE2 PHE A 104 4.477 -4.107 -6.713 1.00 0.00 H new ATOM 0 HZ PHE A 104 6.029 -5.593 -7.870 1.00 0.00 H new ATOM 1604 N SER A 105 1.543 -7.953 -1.325 1.00 0.00 N ATOM 1605 CA SER A 105 0.488 -8.285 -0.383 1.00 0.00 C ATOM 1606 C SER A 105 -0.858 -8.354 -1.107 1.00 0.00 C ATOM 1607 O SER A 105 -1.036 -7.733 -2.154 1.00 0.00 O ATOM 1608 CB SER A 105 0.426 -7.264 0.756 1.00 0.00 C ATOM 1609 OG SER A 105 0.646 -5.935 0.293 1.00 0.00 O ATOM 0 H SER A 105 2.002 -7.059 -1.154 1.00 0.00 H new ATOM 0 HA SER A 105 0.711 -9.260 0.050 1.00 0.00 H new ATOM 0 HB2 SER A 105 -0.548 -7.322 1.242 1.00 0.00 H new ATOM 0 HB3 SER A 105 1.174 -7.514 1.509 1.00 0.00 H new ATOM 0 HG SER A 105 0.293 -5.298 0.948 1.00 0.00 H new ATOM 1615 N LYS A 106 -1.770 -9.116 -0.522 1.00 0.00 N ATOM 1616 CA LYS A 106 -3.094 -9.275 -1.099 1.00 0.00 C ATOM 1617 C LYS A 106 -3.710 -7.895 -1.340 1.00 0.00 C ATOM 1618 O LYS A 106 -3.257 -6.901 -0.773 1.00 0.00 O ATOM 1619 CB LYS A 106 -3.955 -10.187 -0.222 1.00 0.00 C ATOM 1620 CG LYS A 106 -4.498 -9.429 0.991 1.00 0.00 C ATOM 1621 CD LYS A 106 -5.777 -8.669 0.636 1.00 0.00 C ATOM 1622 CE LYS A 106 -6.979 -9.236 1.394 1.00 0.00 C ATOM 1623 NZ LYS A 106 -7.063 -8.645 2.748 1.00 0.00 N ATOM 0 H LYS A 106 -1.618 -9.630 0.346 1.00 0.00 H new ATOM 0 HA LYS A 106 -3.030 -9.770 -2.068 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -4.784 -10.584 -0.808 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -3.364 -11.040 0.112 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -4.700 -10.130 1.801 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -3.745 -8.730 1.354 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -5.656 -7.613 0.877 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -5.956 -8.733 -0.437 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -7.896 -9.028 0.842 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -6.891 -10.320 1.469 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -7.884 -9.040 3.249 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -6.195 -8.865 3.277 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -7.169 -7.613 2.671 1.00 0.00 H new ATOM 1637 N ASP A 107 -4.732 -7.877 -2.182 1.00 0.00 N ATOM 1638 CA ASP A 107 -5.414 -6.636 -2.506 1.00 0.00 C ATOM 1639 C ASP A 107 -6.112 -6.101 -1.253 1.00 0.00 C ATOM 1640 O ASP A 107 -7.058 -6.711 -0.757 1.00 0.00 O ATOM 1641 CB ASP A 107 -6.479 -6.856 -3.582 1.00 0.00 C ATOM 1642 CG ASP A 107 -7.316 -8.125 -3.414 1.00 0.00 C ATOM 1643 OD1 ASP A 107 -6.814 -9.195 -3.823 1.00 0.00 O ATOM 1644 OD2 ASP A 107 -8.439 -7.998 -2.880 1.00 0.00 O ATOM 0 H ASP A 107 -5.105 -8.703 -2.650 1.00 0.00 H new ATOM 0 HA ASP A 107 -4.670 -5.929 -2.874 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -7.148 -5.996 -3.590 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -5.989 -6.888 -4.555 1.00 0.00 H new ATOM 1649 N THR A 108 -5.618 -4.967 -0.778 1.00 0.00 N ATOM 1650 CA THR A 108 -6.183 -4.343 0.407 1.00 0.00 C ATOM 1651 C THR A 108 -7.689 -4.137 0.235 1.00 0.00 C ATOM 1652 O THR A 108 -8.163 -3.893 -0.874 1.00 0.00 O ATOM 1653 CB THR A 108 -5.417 -3.044 0.667 1.00 0.00 C ATOM 1654 OG1 THR A 108 -5.328 -2.430 -0.616 1.00 0.00 O ATOM 1655 CG2 THR A 108 -3.961 -3.292 1.064 1.00 0.00 C ATOM 0 H THR A 108 -4.833 -4.464 -1.192 1.00 0.00 H new ATOM 0 HA THR A 108 -6.073 -4.983 1.282 1.00 0.00 H new ATOM 0 HB THR A 108 -5.916 -2.480 1.455 1.00 0.00 H new ATOM 0 HG1 THR A 108 -5.994 -2.827 -1.215 1.00 0.00 H new ATOM 0 HG21 THR A 108 -3.463 -2.338 1.237 1.00 0.00 H new ATOM 0 HG22 THR A 108 -3.929 -3.888 1.976 1.00 0.00 H new ATOM 0 HG23 THR A 108 -3.451 -3.827 0.263 1.00 0.00 H new ATOM 1663 N GLU A 109 -8.399 -4.243 1.348 1.00 0.00 N ATOM 1664 CA GLU A 109 -9.842 -4.071 1.335 1.00 0.00 C ATOM 1665 C GLU A 109 -10.236 -2.968 0.351 1.00 0.00 C ATOM 1666 O GLU A 109 -9.959 -1.793 0.588 1.00 0.00 O ATOM 1667 CB GLU A 109 -10.371 -3.770 2.738 1.00 0.00 C ATOM 1668 CG GLU A 109 -11.645 -4.566 3.027 1.00 0.00 C ATOM 1669 CD GLU A 109 -12.540 -3.827 4.024 1.00 0.00 C ATOM 1670 OE1 GLU A 109 -13.069 -2.764 3.632 1.00 0.00 O ATOM 1671 OE2 GLU A 109 -12.675 -4.341 5.155 1.00 0.00 O ATOM 0 H GLU A 109 -8.002 -4.446 2.265 1.00 0.00 H new ATOM 0 HA GLU A 109 -10.297 -5.005 1.004 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -9.609 -4.015 3.478 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -10.575 -2.703 2.832 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -12.191 -4.735 2.099 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -11.383 -5.546 3.425 1.00 0.00 H new ATOM 1678 N ARG A 110 -10.876 -3.385 -0.731 1.00 0.00 N ATOM 1679 CA ARG A 110 -11.310 -2.446 -1.752 1.00 0.00 C ATOM 1680 C ARG A 110 -11.632 -1.089 -1.123 1.00 0.00 C ATOM 1681 O ARG A 110 -12.727 -0.888 -0.599 1.00 0.00 O ATOM 1682 CB ARG A 110 -12.547 -2.966 -2.487 1.00 0.00 C ATOM 1683 CG ARG A 110 -12.605 -2.421 -3.916 1.00 0.00 C ATOM 1684 CD ARG A 110 -14.043 -2.081 -4.315 1.00 0.00 C ATOM 1685 NE ARG A 110 -14.232 -2.308 -5.765 1.00 0.00 N ATOM 1686 CZ ARG A 110 -15.393 -2.123 -6.409 1.00 0.00 C ATOM 1687 NH1 ARG A 110 -16.474 -1.708 -5.735 1.00 0.00 N ATOM 1688 NH2 ARG A 110 -15.472 -2.354 -7.727 1.00 0.00 N ATOM 0 H ARG A 110 -11.105 -4.360 -0.923 1.00 0.00 H new ATOM 0 HA ARG A 110 -10.496 -2.334 -2.468 1.00 0.00 H new ATOM 0 HB2 ARG A 110 -12.530 -4.056 -2.510 1.00 0.00 H new ATOM 0 HB3 ARG A 110 -13.446 -2.673 -1.945 1.00 0.00 H new ATOM 0 HG2 ARG A 110 -11.982 -1.530 -3.995 1.00 0.00 H new ATOM 0 HG3 ARG A 110 -12.197 -3.158 -4.607 1.00 0.00 H new ATOM 0 HD2 ARG A 110 -14.742 -2.696 -3.748 1.00 0.00 H new ATOM 0 HD3 ARG A 110 -14.261 -1.042 -4.070 1.00 0.00 H new ATOM 0 HE ARG A 110 -13.429 -2.625 -6.308 1.00 0.00 H new ATOM 0 HH11 ARG A 110 -16.413 -1.533 -4.732 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -17.357 -1.567 -6.225 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -14.649 -2.670 -8.240 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -16.355 -2.213 -8.217 1.00 0.00 H new ATOM 1702 N VAL A 111 -10.659 -0.193 -1.194 1.00 0.00 N ATOM 1703 CA VAL A 111 -10.825 1.139 -0.638 1.00 0.00 C ATOM 1704 C VAL A 111 -11.447 2.054 -1.694 1.00 0.00 C ATOM 1705 O VAL A 111 -10.820 2.351 -2.710 1.00 0.00 O ATOM 1706 CB VAL A 111 -9.485 1.657 -0.112 1.00 0.00 C ATOM 1707 CG1 VAL A 111 -9.667 2.968 0.655 1.00 0.00 C ATOM 1708 CG2 VAL A 111 -8.793 0.605 0.756 1.00 0.00 C ATOM 0 H VAL A 111 -9.752 -0.363 -1.629 1.00 0.00 H new ATOM 0 HA VAL A 111 -11.506 1.116 0.213 1.00 0.00 H new ATOM 0 HB VAL A 111 -8.843 1.857 -0.970 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -8.699 3.314 1.018 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -10.097 3.720 -0.007 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -10.335 2.805 1.501 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -7.843 0.999 1.117 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -9.430 0.358 1.606 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -8.613 -0.293 0.165 1.00 0.00 H new ATOM 1718 N SER A 112 -12.673 2.475 -1.419 1.00 0.00 N ATOM 1719 CA SER A 112 -13.387 3.350 -2.333 1.00 0.00 C ATOM 1720 C SER A 112 -13.324 4.794 -1.831 1.00 0.00 C ATOM 1721 O SER A 112 -13.394 5.041 -0.628 1.00 0.00 O ATOM 1722 CB SER A 112 -14.843 2.908 -2.495 1.00 0.00 C ATOM 1723 OG SER A 112 -15.682 3.979 -2.917 1.00 0.00 O ATOM 0 H SER A 112 -13.190 2.226 -0.576 1.00 0.00 H new ATOM 0 HA SER A 112 -12.907 3.290 -3.310 1.00 0.00 H new ATOM 0 HB2 SER A 112 -14.897 2.097 -3.222 1.00 0.00 H new ATOM 0 HB3 SER A 112 -15.209 2.512 -1.548 1.00 0.00 H new ATOM 0 HG SER A 112 -16.603 3.656 -3.010 1.00 0.00 H new ATOM 1729 N LEU A 113 -13.193 5.711 -2.778 1.00 0.00 N ATOM 1730 CA LEU A 113 -13.120 7.124 -2.448 1.00 0.00 C ATOM 1731 C LEU A 113 -14.522 7.640 -2.123 1.00 0.00 C ATOM 1732 O LEU A 113 -15.483 7.319 -2.820 1.00 0.00 O ATOM 1733 CB LEU A 113 -12.422 7.901 -3.566 1.00 0.00 C ATOM 1734 CG LEU A 113 -11.227 8.758 -3.143 1.00 0.00 C ATOM 1735 CD1 LEU A 113 -11.686 10.125 -2.633 1.00 0.00 C ATOM 1736 CD2 LEU A 113 -10.362 8.024 -2.117 1.00 0.00 C ATOM 0 H LEU A 113 -13.135 5.503 -3.775 1.00 0.00 H new ATOM 0 HA LEU A 113 -12.510 7.276 -1.558 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -12.085 7.190 -4.320 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -13.157 8.548 -4.045 1.00 0.00 H new ATOM 0 HG LEU A 113 -10.605 8.934 -4.021 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -10.817 10.714 -2.339 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -12.227 10.645 -3.423 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -12.342 9.991 -1.773 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -9.520 8.655 -1.833 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -10.959 7.797 -1.234 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -9.990 7.096 -2.552 1.00 0.00 H new ATOM 1748 N PRO A 114 -14.598 8.454 -1.036 1.00 0.00 N ATOM 1749 CA PRO A 114 -15.867 9.018 -0.610 1.00 0.00 C ATOM 1750 C PRO A 114 -16.299 10.157 -1.535 1.00 0.00 C ATOM 1751 O PRO A 114 -15.518 11.066 -1.814 1.00 0.00 O ATOM 1752 CB PRO A 114 -15.636 9.472 0.822 1.00 0.00 C ATOM 1753 CG PRO A 114 -14.128 9.571 0.990 1.00 0.00 C ATOM 1754 CD PRO A 114 -13.481 8.857 -0.186 1.00 0.00 C ATOM 0 HA PRO A 114 -16.684 8.298 -0.659 1.00 0.00 H new ATOM 0 HB2 PRO A 114 -16.114 10.434 1.009 1.00 0.00 H new ATOM 0 HB3 PRO A 114 -16.062 8.762 1.530 1.00 0.00 H new ATOM 0 HG2 PRO A 114 -13.815 10.615 1.022 1.00 0.00 H new ATOM 0 HG3 PRO A 114 -13.818 9.116 1.931 1.00 0.00 H new ATOM 0 HD2 PRO A 114 -12.795 9.515 -0.720 1.00 0.00 H new ATOM 0 HD3 PRO A 114 -12.903 7.994 0.144 1.00 0.00 H new ATOM 1762 N GLU A 115 -17.542 10.072 -1.987 1.00 0.00 N ATOM 1763 CA GLU A 115 -18.087 11.084 -2.875 1.00 0.00 C ATOM 1764 C GLU A 115 -18.043 12.459 -2.204 1.00 0.00 C ATOM 1765 O GLU A 115 -18.264 12.572 -0.999 1.00 0.00 O ATOM 1766 CB GLU A 115 -19.512 10.729 -3.303 1.00 0.00 C ATOM 1767 CG GLU A 115 -19.842 11.337 -4.668 1.00 0.00 C ATOM 1768 CD GLU A 115 -21.261 10.967 -5.104 1.00 0.00 C ATOM 1769 OE1 GLU A 115 -22.120 10.854 -4.203 1.00 0.00 O ATOM 1770 OE2 GLU A 115 -21.455 10.806 -6.328 1.00 0.00 O ATOM 0 H GLU A 115 -18.187 9.317 -1.754 1.00 0.00 H new ATOM 0 HA GLU A 115 -17.471 11.120 -3.774 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -19.623 9.646 -3.347 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -20.220 11.092 -2.558 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -19.743 12.421 -4.621 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -19.126 10.984 -5.410 1.00 0.00 H new