USER MOD reduce.3.24.130724 H: found=0, std=0, add=723, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 720 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 63 GLN : amide:sc= -0.0104 X(o=0.72,f=0.44) USER MOD Set 1.2: A 78 ASN : amide:sc= 0.929 K(o=0.72,f=-7.1!) USER MOD Set 1.3: A 98 TYR OH : rot 173:sc= -0.196 USER MOD Set 2.1: A 67 CYS SG : rot -41:sc= 0.646 USER MOD Set 2.2: A 70 CYS SG : rot -3:sc= 1.52 USER MOD Set 2.3: A 84 HIS : no HE2:sc= -2.1 K(o=-0.13,f=1.1) USER MOD Set 2.4: A 99 TYR OH : rot 100:sc= 0 USER MOD Set 2.5: A 101 CYS SG : rot 86:sc= -0.192 USER MOD Set 3.1: A 66 ASN : amide:sc= -0.0736 K(o=0.57,f=0.032) USER MOD Set 3.2: A 71 SER OG : rot 150:sc= 0.00941 USER MOD Set 3.3: A 76 CYS SG : rot -97:sc= 0.639 USER MOD Set 4.1: A 27 LYS NZ :NH3+ 179:sc= 0.83 (180deg=-0.342) USER MOD Set 4.2: A 58 TYR OH : rot 180:sc= 1.08 USER MOD Single : A 18 GLN : amide:sc= -1.11! K(o=-1.1!,f=-0.14) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 GLN : amide:sc= -0.978 K(o=-0.98,f=0) USER MOD Single : A 24 MET CE :methyl -131:sc= -0.648 (180deg=-2.73!) USER MOD Single : A 25 LYS NZ :NH3+ 138:sc= -1.12 (180deg=-6.39!) USER MOD Single : A 29 MET CE :methyl -167:sc= -0.0559 (180deg=-0.315) USER MOD Single : A 30 LYS NZ :NH3+ -101:sc= 1.17 (180deg=-0.559!) USER MOD Single : A 32 GLN : amide:sc= -3.61! C(o=-3.6!,f=-2.3!) USER MOD Single : A 35 GLN : amide:sc= 0.542 K(o=0.54,f=-0.44) USER MOD Single : A 39 LYS NZ :NH3+ 142:sc= 1.19 (180deg=0.847) USER MOD Single : A 41 ASN : amide:sc= -0.0028 X(o=-0.0028,f=0) USER MOD Single : A 47 GLN : amide:sc= 0 K(o=0,f=-0.92) USER MOD Single : A 48 LYS NZ :NH3+ 153:sc= -0.108 (180deg=-1.93!) USER MOD Single : A 49 MET CE :methyl -120:sc= -0.414 (180deg=-1.49) USER MOD Single : A 52 LYS NZ :NH3+ -150:sc= -0.0569 (180deg=-0.741) USER MOD Single : A 53 SER OG : rot -76:sc= 0.994 USER MOD Single : A 55 ASN : amide:sc= -0.98 K(o=-0.98,f=-9.8!) USER MOD Single : A 56 LYS NZ :NH3+ -178:sc= 0.199 (180deg=0.177) USER MOD Single : A 60 TYR OH : rot -122:sc= 1.26 USER MOD Single : A 64 SER OG : rot 159:sc= 1.23 USER MOD Single : A 65 LYS NZ :NH3+ -138:sc= 0.0528 (180deg=-4.66!) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 ASN : amide:sc= 0.00225 X(o=0.0023,f=-0.092) USER MOD Single : A 77 ASN : amide:sc= 0 X(o=0,f=-0.09) USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ -118:sc= -0.0138 (180deg=-0.244) USER MOD Single : A 90 ASN : amide:sc= -0.013 K(o=-0.013,f=-0.89) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 104 LYS NZ :NH3+ 174:sc= 1.26 (180deg=1.2) USER MOD ----------------------------------------------------------------- ATOM 225 N ASP A 16 -19.153 2.938 5.994 1.00 0.00 N ATOM 226 CA ASP A 16 -20.077 3.495 5.009 1.00 0.00 C ATOM 227 C ASP A 16 -19.514 4.791 4.441 1.00 0.00 C ATOM 228 O ASP A 16 -19.867 5.201 3.334 1.00 0.00 O ATOM 229 CB ASP A 16 -21.469 3.742 5.614 1.00 0.00 C ATOM 230 CG ASP A 16 -21.540 4.983 6.487 1.00 0.00 C ATOM 231 OD1 ASP A 16 -21.243 4.888 7.697 1.00 0.00 O ATOM 232 OD2 ASP A 16 -21.908 6.059 5.971 1.00 0.00 O ATOM 0 HA ASP A 16 -20.189 2.766 4.206 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -22.196 3.833 4.807 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -21.758 2.874 6.206 1.00 0.00 H new ATOM 237 N PHE A 17 -18.617 5.417 5.201 1.00 0.00 N ATOM 238 CA PHE A 17 -17.983 6.666 4.796 1.00 0.00 C ATOM 239 C PHE A 17 -17.300 6.533 3.437 1.00 0.00 C ATOM 240 O PHE A 17 -17.561 7.320 2.524 1.00 0.00 O ATOM 241 CB PHE A 17 -16.968 7.113 5.854 1.00 0.00 C ATOM 242 CG PHE A 17 -16.185 8.337 5.465 1.00 0.00 C ATOM 243 CD1 PHE A 17 -16.790 9.583 5.435 1.00 0.00 C ATOM 244 CD2 PHE A 17 -14.846 8.236 5.120 1.00 0.00 C ATOM 245 CE1 PHE A 17 -16.073 10.706 5.070 1.00 0.00 C ATOM 246 CE2 PHE A 17 -14.126 9.356 4.753 1.00 0.00 C ATOM 247 CZ PHE A 17 -14.739 10.592 4.730 1.00 0.00 C ATOM 0 H PHE A 17 -18.312 5.073 6.111 1.00 0.00 H new ATOM 0 HA PHE A 17 -18.764 7.421 4.706 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -17.494 7.311 6.788 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -16.274 6.295 6.047 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -17.833 9.677 5.700 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -14.361 7.271 5.138 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -16.555 11.672 5.050 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -13.084 9.264 4.484 1.00 0.00 H new ATOM 0 HZ PHE A 17 -14.176 11.469 4.447 1.00 0.00 H new ATOM 257 N GLN A 18 -16.436 5.528 3.299 1.00 0.00 N ATOM 258 CA GLN A 18 -15.687 5.340 2.062 1.00 0.00 C ATOM 259 C GLN A 18 -16.623 5.037 0.902 1.00 0.00 C ATOM 260 O GLN A 18 -16.351 5.412 -0.236 1.00 0.00 O ATOM 261 CB GLN A 18 -14.652 4.224 2.192 1.00 0.00 C ATOM 262 CG GLN A 18 -15.254 2.845 2.402 1.00 0.00 C ATOM 263 CD GLN A 18 -14.286 1.718 2.082 1.00 0.00 C ATOM 264 OE1 GLN A 18 -14.300 0.679 2.735 1.00 0.00 O ATOM 265 NE2 GLN A 18 -13.487 1.883 1.034 1.00 0.00 N ATOM 0 H GLN A 18 -16.240 4.838 4.024 1.00 0.00 H new ATOM 0 HA GLN A 18 -15.161 6.274 1.863 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -14.036 4.207 1.293 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -13.990 4.452 3.028 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -15.582 2.752 3.437 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -16.141 2.743 1.777 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -13.502 2.761 0.514 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -12.858 1.132 0.749 1.00 0.00 H new ATOM 274 N LYS A 19 -17.738 4.379 1.200 1.00 0.00 N ATOM 275 CA LYS A 19 -18.693 4.012 0.168 1.00 0.00 C ATOM 276 C LYS A 19 -19.299 5.258 -0.469 1.00 0.00 C ATOM 277 O LYS A 19 -19.540 5.284 -1.671 1.00 0.00 O ATOM 278 CB LYS A 19 -19.795 3.110 0.729 1.00 0.00 C ATOM 279 CG LYS A 19 -19.277 1.822 1.354 1.00 0.00 C ATOM 280 CD LYS A 19 -20.390 0.798 1.540 1.00 0.00 C ATOM 281 CE LYS A 19 -21.557 1.366 2.333 1.00 0.00 C ATOM 282 NZ LYS A 19 -22.691 0.407 2.415 1.00 0.00 N ATOM 0 H LYS A 19 -17.999 4.091 2.143 1.00 0.00 H new ATOM 0 HA LYS A 19 -18.157 3.453 -0.599 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -20.359 3.665 1.478 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -20.490 2.860 -0.073 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -18.496 1.400 0.722 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -18.821 2.043 2.319 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -20.743 0.464 0.564 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -19.995 -0.079 2.053 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -21.223 1.620 3.339 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -21.897 2.291 1.867 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -23.466 0.832 2.963 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -23.027 0.184 1.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -22.374 -0.466 2.883 1.00 0.00 H new ATOM 296 N ARG A 20 -19.532 6.295 0.335 1.00 0.00 N ATOM 297 CA ARG A 20 -20.018 7.564 -0.201 1.00 0.00 C ATOM 298 C ARG A 20 -18.894 8.239 -0.966 1.00 0.00 C ATOM 299 O ARG A 20 -19.059 8.645 -2.117 1.00 0.00 O ATOM 300 CB ARG A 20 -20.460 8.526 0.903 1.00 0.00 C ATOM 301 CG ARG A 20 -20.936 7.875 2.184 1.00 0.00 C ATOM 302 CD ARG A 20 -21.271 8.938 3.212 1.00 0.00 C ATOM 303 NE ARG A 20 -21.355 8.407 4.567 1.00 0.00 N ATOM 304 CZ ARG A 20 -21.084 9.125 5.654 1.00 0.00 C ATOM 305 NH1 ARG A 20 -20.661 10.381 5.538 1.00 0.00 N ATOM 306 NH2 ARG A 20 -21.208 8.574 6.852 1.00 0.00 N ATOM 0 H ARG A 20 -19.394 6.282 1.346 1.00 0.00 H new ATOM 0 HA ARG A 20 -20.873 7.341 -0.839 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -19.626 9.187 1.140 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -21.263 9.153 0.515 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -21.814 7.260 1.985 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -20.164 7.211 2.573 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -20.512 9.720 3.180 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -22.221 9.404 2.950 1.00 0.00 H new ATOM 0 HE ARG A 20 -21.636 7.434 4.688 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -20.544 10.796 4.614 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -20.454 10.929 6.373 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -21.510 7.604 6.938 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -21.001 9.120 7.688 1.00 0.00 H new ATOM 320 N LEU A 21 -17.748 8.332 -0.297 1.00 0.00 N ATOM 321 CA LEU A 21 -16.576 9.027 -0.818 1.00 0.00 C ATOM 322 C LEU A 21 -16.171 8.513 -2.197 1.00 0.00 C ATOM 323 O LEU A 21 -15.996 9.297 -3.132 1.00 0.00 O ATOM 324 CB LEU A 21 -15.418 8.857 0.176 1.00 0.00 C ATOM 325 CG LEU A 21 -14.018 9.180 -0.357 1.00 0.00 C ATOM 326 CD1 LEU A 21 -13.912 10.639 -0.779 1.00 0.00 C ATOM 327 CD2 LEU A 21 -12.967 8.855 0.694 1.00 0.00 C ATOM 0 H LEU A 21 -17.606 7.925 0.627 1.00 0.00 H new ATOM 0 HA LEU A 21 -16.823 10.082 -0.933 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -15.611 9.493 1.040 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -15.420 7.827 0.532 1.00 0.00 H new ATOM 0 HG LEU A 21 -13.841 8.563 -1.238 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -12.907 10.838 -1.153 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -14.639 10.844 -1.565 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -14.114 11.281 0.078 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -11.977 9.089 0.303 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -13.153 9.448 1.590 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -13.017 7.795 0.943 1.00 0.00 H new ATOM 339 N GLU A 22 -16.060 7.202 -2.331 1.00 0.00 N ATOM 340 CA GLU A 22 -15.639 6.611 -3.591 1.00 0.00 C ATOM 341 C GLU A 22 -16.762 6.663 -4.620 1.00 0.00 C ATOM 342 O GLU A 22 -16.507 6.858 -5.805 1.00 0.00 O ATOM 343 CB GLU A 22 -15.162 5.174 -3.379 1.00 0.00 C ATOM 344 CG GLU A 22 -13.934 5.078 -2.484 1.00 0.00 C ATOM 345 CD GLU A 22 -13.396 3.670 -2.377 1.00 0.00 C ATOM 346 OE1 GLU A 22 -13.861 2.915 -1.502 1.00 0.00 O ATOM 347 OE2 GLU A 22 -12.498 3.310 -3.166 1.00 0.00 O ATOM 0 H GLU A 22 -16.254 6.530 -1.588 1.00 0.00 H new ATOM 0 HA GLU A 22 -14.803 7.195 -3.977 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -15.971 4.590 -2.940 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -14.935 4.726 -4.347 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -13.154 5.732 -2.874 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -14.186 5.442 -1.488 1.00 0.00 H new ATOM 354 N GLN A 23 -18.000 6.520 -4.161 1.00 0.00 N ATOM 355 CA GLN A 23 -19.152 6.556 -5.055 1.00 0.00 C ATOM 356 C GLN A 23 -19.278 7.918 -5.722 1.00 0.00 C ATOM 357 O GLN A 23 -19.299 8.019 -6.947 1.00 0.00 O ATOM 358 CB GLN A 23 -20.431 6.254 -4.285 1.00 0.00 C ATOM 359 CG GLN A 23 -21.638 6.000 -5.172 1.00 0.00 C ATOM 360 CD GLN A 23 -22.904 5.772 -4.371 1.00 0.00 C ATOM 361 OE1 GLN A 23 -24.005 6.076 -4.829 1.00 0.00 O ATOM 362 NE2 GLN A 23 -22.758 5.242 -3.167 1.00 0.00 N ATOM 0 H GLN A 23 -18.232 6.378 -3.178 1.00 0.00 H new ATOM 0 HA GLN A 23 -19.002 5.797 -5.823 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -20.266 5.381 -3.654 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -20.650 7.090 -3.621 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -21.781 6.850 -5.839 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -21.447 5.130 -5.801 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -21.827 5.004 -2.824 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -23.576 5.072 -2.582 1.00 0.00 H new ATOM 371 N MET A 24 -19.357 8.966 -4.908 1.00 0.00 N ATOM 372 CA MET A 24 -19.510 10.318 -5.429 1.00 0.00 C ATOM 373 C MET A 24 -18.318 10.701 -6.291 1.00 0.00 C ATOM 374 O MET A 24 -18.470 11.363 -7.312 1.00 0.00 O ATOM 375 CB MET A 24 -19.699 11.343 -4.305 1.00 0.00 C ATOM 376 CG MET A 24 -18.531 11.441 -3.336 1.00 0.00 C ATOM 377 SD MET A 24 -18.817 12.630 -2.009 1.00 0.00 S ATOM 378 CE MET A 24 -19.069 14.139 -2.945 1.00 0.00 C ATOM 0 H MET A 24 -19.318 8.905 -3.891 1.00 0.00 H new ATOM 0 HA MET A 24 -20.410 10.327 -6.044 1.00 0.00 H new ATOM 0 HB2 MET A 24 -19.869 12.324 -4.750 1.00 0.00 H new ATOM 0 HB3 MET A 24 -20.598 11.087 -3.745 1.00 0.00 H new ATOM 0 HG2 MET A 24 -18.342 10.459 -2.902 1.00 0.00 H new ATOM 0 HG3 MET A 24 -17.633 11.726 -3.885 1.00 0.00 H new ATOM 0 HE1 MET A 24 -18.450 14.933 -2.528 1.00 0.00 H new ATOM 0 HE2 MET A 24 -18.793 13.972 -3.986 1.00 0.00 H new ATOM 0 HE3 MET A 24 -20.118 14.430 -2.890 1.00 0.00 H new ATOM 388 N LYS A 25 -17.132 10.271 -5.885 1.00 0.00 N ATOM 389 CA LYS A 25 -15.931 10.555 -6.647 1.00 0.00 C ATOM 390 C LYS A 25 -15.972 9.823 -7.985 1.00 0.00 C ATOM 391 O LYS A 25 -15.666 10.408 -9.025 1.00 0.00 O ATOM 392 CB LYS A 25 -14.677 10.160 -5.863 1.00 0.00 C ATOM 393 CG LYS A 25 -13.365 10.619 -6.497 1.00 0.00 C ATOM 394 CD LYS A 25 -13.270 12.138 -6.591 1.00 0.00 C ATOM 395 CE LYS A 25 -13.824 12.667 -7.908 1.00 0.00 C ATOM 396 NZ LYS A 25 -13.947 14.150 -7.912 1.00 0.00 N ATOM 0 H LYS A 25 -16.979 9.727 -5.036 1.00 0.00 H new ATOM 0 HA LYS A 25 -15.890 11.628 -6.832 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -14.746 10.576 -4.858 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -14.656 9.075 -5.758 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -12.528 10.240 -5.910 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -13.276 10.189 -7.495 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -13.817 12.587 -5.762 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -12.229 12.443 -6.488 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -13.173 12.356 -8.725 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -14.802 12.223 -8.093 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -13.627 14.522 -8.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -14.940 14.416 -7.757 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -13.359 14.549 -7.152 1.00 0.00 H new ATOM 410 N GLU A 26 -16.367 8.553 -7.960 1.00 0.00 N ATOM 411 CA GLU A 26 -16.454 7.761 -9.180 1.00 0.00 C ATOM 412 C GLU A 26 -17.526 8.326 -10.104 1.00 0.00 C ATOM 413 O GLU A 26 -17.366 8.323 -11.320 1.00 0.00 O ATOM 414 CB GLU A 26 -16.772 6.300 -8.872 1.00 0.00 C ATOM 415 CG GLU A 26 -16.468 5.366 -10.032 1.00 0.00 C ATOM 416 CD GLU A 26 -17.329 4.125 -10.026 1.00 0.00 C ATOM 417 OE1 GLU A 26 -17.540 3.539 -8.948 1.00 0.00 O ATOM 418 OE2 GLU A 26 -17.836 3.754 -11.104 1.00 0.00 O ATOM 0 H GLU A 26 -16.631 8.053 -7.111 1.00 0.00 H new ATOM 0 HA GLU A 26 -15.483 7.810 -9.673 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -16.198 5.986 -8.000 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -17.826 6.212 -8.609 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -16.615 5.900 -10.971 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -15.418 5.075 -9.992 1.00 0.00 H new ATOM 425 N LYS A 27 -18.621 8.801 -9.516 1.00 0.00 N ATOM 426 CA LYS A 27 -19.685 9.452 -10.275 1.00 0.00 C ATOM 427 C LYS A 27 -19.144 10.652 -11.039 1.00 0.00 C ATOM 428 O LYS A 27 -19.451 10.843 -12.214 1.00 0.00 O ATOM 429 CB LYS A 27 -20.817 9.895 -9.348 1.00 0.00 C ATOM 430 CG LYS A 27 -21.735 8.760 -8.923 1.00 0.00 C ATOM 431 CD LYS A 27 -22.924 9.264 -8.123 1.00 0.00 C ATOM 432 CE LYS A 27 -23.782 10.220 -8.936 1.00 0.00 C ATOM 433 NZ LYS A 27 -24.979 10.663 -8.178 1.00 0.00 N ATOM 0 H LYS A 27 -18.795 8.747 -8.512 1.00 0.00 H new ATOM 0 HA LYS A 27 -20.078 8.728 -10.989 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -20.388 10.356 -8.459 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -21.408 10.661 -9.850 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -22.090 8.230 -9.807 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -21.173 8.043 -8.325 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -23.529 8.418 -7.798 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -22.571 9.767 -7.223 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -23.189 11.089 -9.220 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -24.096 9.732 -9.859 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -25.531 11.327 -8.758 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -25.566 9.837 -7.943 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -24.679 11.135 -7.301 1.00 0.00 H new ATOM 447 N VAL A 28 -18.323 11.444 -10.367 1.00 0.00 N ATOM 448 CA VAL A 28 -17.704 12.602 -10.987 1.00 0.00 C ATOM 449 C VAL A 28 -16.761 12.154 -12.105 1.00 0.00 C ATOM 450 O VAL A 28 -16.666 12.792 -13.149 1.00 0.00 O ATOM 451 CB VAL A 28 -16.924 13.440 -9.949 1.00 0.00 C ATOM 452 CG1 VAL A 28 -16.261 14.640 -10.605 1.00 0.00 C ATOM 453 CG2 VAL A 28 -17.842 13.893 -8.820 1.00 0.00 C ATOM 0 H VAL A 28 -18.070 11.304 -9.389 1.00 0.00 H new ATOM 0 HA VAL A 28 -18.494 13.225 -11.405 1.00 0.00 H new ATOM 0 HB VAL A 28 -16.144 12.807 -9.527 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -15.719 15.213 -9.853 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -15.565 14.298 -11.371 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -17.023 15.272 -11.062 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -17.272 14.481 -8.101 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -18.648 14.502 -9.229 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -18.264 13.020 -8.321 1.00 0.00 H new ATOM 463 N MET A 29 -16.093 11.026 -11.889 1.00 0.00 N ATOM 464 CA MET A 29 -15.148 10.496 -12.870 1.00 0.00 C ATOM 465 C MET A 29 -15.865 9.656 -13.925 1.00 0.00 C ATOM 466 O MET A 29 -15.231 9.096 -14.814 1.00 0.00 O ATOM 467 CB MET A 29 -14.067 9.652 -12.184 1.00 0.00 C ATOM 468 CG MET A 29 -13.304 10.389 -11.091 1.00 0.00 C ATOM 469 SD MET A 29 -12.507 11.906 -11.671 1.00 0.00 S ATOM 470 CE MET A 29 -11.365 11.249 -12.884 1.00 0.00 C ATOM 0 H MET A 29 -16.187 10.461 -11.045 1.00 0.00 H new ATOM 0 HA MET A 29 -14.675 11.345 -13.363 1.00 0.00 H new ATOM 0 HB2 MET A 29 -14.532 8.765 -11.753 1.00 0.00 H new ATOM 0 HB3 MET A 29 -13.359 9.306 -12.937 1.00 0.00 H new ATOM 0 HG2 MET A 29 -13.991 10.635 -10.281 1.00 0.00 H new ATOM 0 HG3 MET A 29 -12.546 9.725 -10.676 1.00 0.00 H new ATOM 0 HE1 MET A 29 -10.646 12.020 -13.162 1.00 0.00 H new ATOM 0 HE2 MET A 29 -10.836 10.395 -12.461 1.00 0.00 H new ATOM 0 HE3 MET A 29 -11.917 10.932 -13.769 1.00 0.00 H new ATOM 480 N LYS A 30 -17.180 9.543 -13.797 1.00 0.00 N ATOM 481 CA LYS A 30 -18.003 8.857 -14.786 1.00 0.00 C ATOM 482 C LYS A 30 -18.513 9.843 -15.824 1.00 0.00 C ATOM 483 O LYS A 30 -18.642 9.522 -17.006 1.00 0.00 O ATOM 484 CB LYS A 30 -19.208 8.222 -14.099 1.00 0.00 C ATOM 485 CG LYS A 30 -19.478 6.801 -14.529 1.00 0.00 C ATOM 486 CD LYS A 30 -19.194 5.844 -13.393 1.00 0.00 C ATOM 487 CE LYS A 30 -20.263 5.929 -12.312 1.00 0.00 C ATOM 488 NZ LYS A 30 -20.223 4.763 -11.391 1.00 0.00 N ATOM 0 H LYS A 30 -17.705 9.922 -13.009 1.00 0.00 H new ATOM 0 HA LYS A 30 -17.394 8.094 -15.270 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -19.051 8.241 -13.021 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -20.091 8.827 -14.303 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -20.516 6.701 -14.846 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -18.856 6.550 -15.389 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -19.144 4.825 -13.778 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -18.219 6.070 -12.961 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -20.127 6.847 -11.740 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -21.246 5.988 -12.779 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -20.972 4.090 -11.650 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -19.297 4.295 -11.463 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -20.372 5.087 -10.414 1.00 0.00 H new ATOM 502 N ASP A 31 -18.807 11.040 -15.351 1.00 0.00 N ATOM 503 CA ASP A 31 -19.480 12.056 -16.151 1.00 0.00 C ATOM 504 C ASP A 31 -18.654 12.474 -17.363 1.00 0.00 C ATOM 505 O ASP A 31 -17.521 12.933 -17.233 1.00 0.00 O ATOM 506 CB ASP A 31 -19.791 13.276 -15.295 1.00 0.00 C ATOM 507 CG ASP A 31 -20.639 14.281 -16.032 1.00 0.00 C ATOM 508 OD1 ASP A 31 -21.877 14.131 -16.034 1.00 0.00 O ATOM 509 OD2 ASP A 31 -20.078 15.224 -16.619 1.00 0.00 O ATOM 0 H ASP A 31 -18.587 11.339 -14.401 1.00 0.00 H new ATOM 0 HA ASP A 31 -20.407 11.617 -16.518 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -20.308 12.961 -14.389 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -18.859 13.747 -14.983 1.00 0.00 H new ATOM 514 N GLN A 32 -19.260 12.336 -18.539 1.00 0.00 N ATOM 515 CA GLN A 32 -18.596 12.617 -19.815 1.00 0.00 C ATOM 516 C GLN A 32 -18.146 14.069 -19.899 1.00 0.00 C ATOM 517 O GLN A 32 -17.051 14.371 -20.380 1.00 0.00 O ATOM 518 CB GLN A 32 -19.543 12.323 -20.984 1.00 0.00 C ATOM 519 CG GLN A 32 -20.145 10.928 -20.958 1.00 0.00 C ATOM 520 CD GLN A 32 -21.324 10.782 -20.005 1.00 0.00 C ATOM 521 OE1 GLN A 32 -21.516 9.732 -19.403 1.00 0.00 O ATOM 522 NE2 GLN A 32 -22.145 11.817 -19.889 1.00 0.00 N ATOM 0 H GLN A 32 -20.227 12.026 -18.638 1.00 0.00 H new ATOM 0 HA GLN A 32 -17.719 11.972 -19.875 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -20.350 13.056 -20.977 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -19.000 12.456 -21.920 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -20.469 10.664 -21.965 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -19.371 10.214 -20.675 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -21.957 12.677 -20.404 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -22.964 11.753 -19.285 1.00 0.00 H new ATOM 531 N ASP A 33 -19.009 14.952 -19.426 1.00 0.00 N ATOM 532 CA ASP A 33 -18.763 16.393 -19.474 1.00 0.00 C ATOM 533 C ASP A 33 -17.538 16.739 -18.635 1.00 0.00 C ATOM 534 O ASP A 33 -16.651 17.478 -19.068 1.00 0.00 O ATOM 535 CB ASP A 33 -19.985 17.141 -18.942 1.00 0.00 C ATOM 536 CG ASP A 33 -20.239 18.456 -19.641 1.00 0.00 C ATOM 537 OD1 ASP A 33 -19.672 18.683 -20.728 1.00 0.00 O ATOM 538 OD2 ASP A 33 -21.040 19.255 -19.116 1.00 0.00 O ATOM 0 H ASP A 33 -19.899 14.697 -18.998 1.00 0.00 H new ATOM 0 HA ASP A 33 -18.581 16.691 -20.507 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -20.865 16.506 -19.049 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -19.853 17.325 -17.876 1.00 0.00 H new ATOM 543 N VAL A 34 -17.507 16.183 -17.429 1.00 0.00 N ATOM 544 CA VAL A 34 -16.376 16.332 -16.517 1.00 0.00 C ATOM 545 C VAL A 34 -15.068 15.896 -17.175 1.00 0.00 C ATOM 546 O VAL A 34 -14.066 16.610 -17.124 1.00 0.00 O ATOM 547 CB VAL A 34 -16.620 15.509 -15.228 1.00 0.00 C ATOM 548 CG1 VAL A 34 -15.347 15.327 -14.418 1.00 0.00 C ATOM 549 CG2 VAL A 34 -17.692 16.172 -14.385 1.00 0.00 C ATOM 0 H VAL A 34 -18.267 15.615 -17.054 1.00 0.00 H new ATOM 0 HA VAL A 34 -16.289 17.388 -16.261 1.00 0.00 H new ATOM 0 HB VAL A 34 -16.957 14.517 -15.528 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -15.565 14.744 -13.523 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -14.604 14.803 -15.020 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -14.957 16.303 -14.129 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -17.857 15.587 -13.480 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -17.371 17.177 -14.113 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -18.619 16.229 -14.955 1.00 0.00 H new ATOM 559 N GLN A 35 -15.093 14.738 -17.818 1.00 0.00 N ATOM 560 CA GLN A 35 -13.896 14.168 -18.434 1.00 0.00 C ATOM 561 C GLN A 35 -13.355 15.064 -19.530 1.00 0.00 C ATOM 562 O GLN A 35 -12.145 15.241 -19.660 1.00 0.00 O ATOM 563 CB GLN A 35 -14.209 12.794 -18.997 1.00 0.00 C ATOM 564 CG GLN A 35 -14.844 11.903 -17.964 1.00 0.00 C ATOM 565 CD GLN A 35 -14.885 10.453 -18.373 1.00 0.00 C ATOM 566 OE1 GLN A 35 -14.982 10.127 -19.553 1.00 0.00 O ATOM 567 NE2 GLN A 35 -14.808 9.578 -17.392 1.00 0.00 N ATOM 0 H GLN A 35 -15.932 14.169 -17.929 1.00 0.00 H new ATOM 0 HA GLN A 35 -13.130 14.081 -17.663 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -14.878 12.894 -19.852 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -13.292 12.332 -19.362 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -14.293 11.994 -17.028 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -15.860 12.248 -17.771 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -14.728 9.899 -16.427 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -14.828 8.579 -17.597 1.00 0.00 H new ATOM 576 N ALA A 36 -14.261 15.623 -20.311 1.00 0.00 N ATOM 577 CA ALA A 36 -13.892 16.552 -21.374 1.00 0.00 C ATOM 578 C ALA A 36 -13.135 17.748 -20.802 1.00 0.00 C ATOM 579 O ALA A 36 -12.150 18.218 -21.379 1.00 0.00 O ATOM 580 CB ALA A 36 -15.130 17.011 -22.133 1.00 0.00 C ATOM 0 H ALA A 36 -15.263 15.452 -20.232 1.00 0.00 H new ATOM 0 HA ALA A 36 -13.234 16.035 -22.072 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -14.837 17.703 -22.922 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -15.627 16.147 -22.574 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -15.813 17.511 -21.446 1.00 0.00 H new ATOM 586 N PHE A 37 -13.589 18.224 -19.656 1.00 0.00 N ATOM 587 CA PHE A 37 -12.926 19.321 -18.975 1.00 0.00 C ATOM 588 C PHE A 37 -11.577 18.867 -18.423 1.00 0.00 C ATOM 589 O PHE A 37 -10.590 19.603 -18.485 1.00 0.00 O ATOM 590 CB PHE A 37 -13.815 19.854 -17.851 1.00 0.00 C ATOM 591 CG PHE A 37 -13.178 20.954 -17.055 1.00 0.00 C ATOM 592 CD1 PHE A 37 -13.039 22.222 -17.593 1.00 0.00 C ATOM 593 CD2 PHE A 37 -12.720 20.718 -15.774 1.00 0.00 C ATOM 594 CE1 PHE A 37 -12.452 23.236 -16.862 1.00 0.00 C ATOM 595 CE2 PHE A 37 -12.133 21.728 -15.036 1.00 0.00 C ATOM 596 CZ PHE A 37 -11.999 22.990 -15.581 1.00 0.00 C ATOM 0 H PHE A 37 -14.416 17.867 -19.177 1.00 0.00 H new ATOM 0 HA PHE A 37 -12.750 20.124 -19.690 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -14.748 20.220 -18.279 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -14.072 19.033 -17.181 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -13.393 22.420 -18.594 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -12.822 19.733 -15.344 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -12.347 24.221 -17.292 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -11.780 21.531 -14.035 1.00 0.00 H new ATOM 0 HZ PHE A 37 -11.541 23.782 -15.007 1.00 0.00 H new ATOM 606 N LEU A 38 -11.542 17.648 -17.892 1.00 0.00 N ATOM 607 CA LEU A 38 -10.321 17.086 -17.324 1.00 0.00 C ATOM 608 C LEU A 38 -9.232 16.925 -18.375 1.00 0.00 C ATOM 609 O LEU A 38 -8.081 17.269 -18.131 1.00 0.00 O ATOM 610 CB LEU A 38 -10.591 15.728 -16.666 1.00 0.00 C ATOM 611 CG LEU A 38 -10.760 15.742 -15.145 1.00 0.00 C ATOM 612 CD1 LEU A 38 -9.536 16.335 -14.469 1.00 0.00 C ATOM 613 CD2 LEU A 38 -12.015 16.496 -14.744 1.00 0.00 C ATOM 0 H LEU A 38 -12.350 17.028 -17.843 1.00 0.00 H new ATOM 0 HA LEU A 38 -9.975 17.791 -16.568 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -11.493 15.305 -17.108 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -9.769 15.056 -16.914 1.00 0.00 H new ATOM 0 HG LEU A 38 -10.865 14.710 -14.810 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -9.681 16.334 -13.389 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -8.658 15.739 -14.718 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -9.390 17.358 -14.814 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -12.111 16.491 -13.658 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -11.950 17.525 -15.098 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -12.886 16.014 -15.188 1.00 0.00 H new ATOM 625 N LYS A 39 -9.592 16.404 -19.540 1.00 0.00 N ATOM 626 CA LYS A 39 -8.609 16.161 -20.596 1.00 0.00 C ATOM 627 C LYS A 39 -8.087 17.476 -21.151 1.00 0.00 C ATOM 628 O LYS A 39 -6.947 17.565 -21.612 1.00 0.00 O ATOM 629 CB LYS A 39 -9.207 15.307 -21.725 1.00 0.00 C ATOM 630 CG LYS A 39 -10.422 15.926 -22.400 1.00 0.00 C ATOM 631 CD LYS A 39 -10.935 15.064 -23.543 1.00 0.00 C ATOM 632 CE LYS A 39 -9.991 15.092 -24.736 1.00 0.00 C ATOM 633 NZ LYS A 39 -10.065 16.377 -25.487 1.00 0.00 N ATOM 0 H LYS A 39 -10.548 16.142 -19.780 1.00 0.00 H new ATOM 0 HA LYS A 39 -7.777 15.610 -20.158 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -8.438 15.130 -22.477 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -9.487 14.334 -21.320 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -11.215 16.064 -21.665 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -10.163 16.915 -22.779 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -11.056 14.037 -23.198 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -11.920 15.415 -23.850 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -8.969 14.934 -24.391 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -10.233 14.267 -25.407 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -9.113 16.647 -25.807 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -10.688 16.262 -26.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -10.446 17.120 -24.867 1.00 0.00 H new ATOM 647 N GLU A 40 -8.922 18.496 -21.098 1.00 0.00 N ATOM 648 CA GLU A 40 -8.550 19.804 -21.595 1.00 0.00 C ATOM 649 C GLU A 40 -7.700 20.575 -20.592 1.00 0.00 C ATOM 650 O GLU A 40 -6.858 21.388 -20.973 1.00 0.00 O ATOM 651 CB GLU A 40 -9.805 20.588 -21.934 1.00 0.00 C ATOM 652 CG GLU A 40 -9.925 20.897 -23.413 1.00 0.00 C ATOM 653 CD GLU A 40 -9.592 19.697 -24.280 1.00 0.00 C ATOM 654 OE1 GLU A 40 -10.475 18.838 -24.484 1.00 0.00 O ATOM 655 OE2 GLU A 40 -8.437 19.602 -24.749 1.00 0.00 O ATOM 0 H GLU A 40 -9.865 18.442 -20.714 1.00 0.00 H new ATOM 0 HA GLU A 40 -7.944 19.667 -22.491 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -10.679 20.021 -21.614 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -9.807 21.522 -21.371 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -10.940 21.230 -23.631 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -9.258 21.721 -23.665 1.00 0.00 H new ATOM 662 N ASN A 41 -7.920 20.321 -19.314 1.00 0.00 N ATOM 663 CA ASN A 41 -7.217 21.057 -18.270 1.00 0.00 C ATOM 664 C ASN A 41 -6.374 20.144 -17.393 1.00 0.00 C ATOM 665 O ASN A 41 -6.083 20.476 -16.245 1.00 0.00 O ATOM 666 CB ASN A 41 -8.206 21.844 -17.411 1.00 0.00 C ATOM 667 CG ASN A 41 -8.725 23.078 -18.120 1.00 0.00 C ATOM 668 OD1 ASN A 41 -8.133 24.152 -18.034 1.00 0.00 O ATOM 669 ND2 ASN A 41 -9.836 22.935 -18.824 1.00 0.00 N ATOM 0 H ASN A 41 -8.574 19.617 -18.973 1.00 0.00 H new ATOM 0 HA ASN A 41 -6.540 21.752 -18.768 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -9.045 21.201 -17.144 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -7.722 22.139 -16.480 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -10.231 23.733 -19.321 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -10.297 22.026 -18.870 1.00 0.00 H new ATOM 676 N GLU A 42 -5.944 19.017 -17.946 1.00 0.00 N ATOM 677 CA GLU A 42 -5.088 18.084 -17.212 1.00 0.00 C ATOM 678 C GLU A 42 -3.739 18.729 -16.917 1.00 0.00 C ATOM 679 O GLU A 42 -2.989 18.269 -16.056 1.00 0.00 O ATOM 680 CB GLU A 42 -4.875 16.792 -18.005 1.00 0.00 C ATOM 681 CG GLU A 42 -4.149 16.999 -19.322 1.00 0.00 C ATOM 682 CD GLU A 42 -3.637 15.702 -19.903 1.00 0.00 C ATOM 683 OE1 GLU A 42 -2.520 15.284 -19.526 1.00 0.00 O ATOM 684 OE2 GLU A 42 -4.345 15.093 -20.729 1.00 0.00 O ATOM 0 H GLU A 42 -6.171 18.724 -18.896 1.00 0.00 H new ATOM 0 HA GLU A 42 -5.587 17.838 -16.275 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -4.308 16.090 -17.394 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -5.844 16.333 -18.202 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -4.823 17.473 -20.035 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -3.313 17.682 -19.170 1.00 0.00 H new ATOM 691 N GLU A 43 -3.443 19.795 -17.648 1.00 0.00 N ATOM 692 CA GLU A 43 -2.212 20.543 -17.467 1.00 0.00 C ATOM 693 C GLU A 43 -2.244 21.292 -16.140 1.00 0.00 C ATOM 694 O GLU A 43 -1.216 21.475 -15.486 1.00 0.00 O ATOM 695 CB GLU A 43 -2.051 21.542 -18.616 1.00 0.00 C ATOM 696 CG GLU A 43 -0.689 22.214 -18.668 1.00 0.00 C ATOM 697 CD GLU A 43 0.406 21.260 -19.085 1.00 0.00 C ATOM 698 OE1 GLU A 43 0.429 20.866 -20.269 1.00 0.00 O ATOM 699 OE2 GLU A 43 1.241 20.892 -18.235 1.00 0.00 O ATOM 0 H GLU A 43 -4.050 20.163 -18.381 1.00 0.00 H new ATOM 0 HA GLU A 43 -1.370 19.850 -17.462 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -2.225 21.025 -19.560 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -2.820 22.310 -18.526 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -0.725 23.050 -19.367 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -0.453 22.628 -17.688 1.00 0.00 H new ATOM 706 N VAL A 44 -3.445 21.695 -15.740 1.00 0.00 N ATOM 707 CA VAL A 44 -3.615 22.560 -14.583 1.00 0.00 C ATOM 708 C VAL A 44 -4.219 21.802 -13.401 1.00 0.00 C ATOM 709 O VAL A 44 -3.881 22.061 -12.244 1.00 0.00 O ATOM 710 CB VAL A 44 -4.523 23.764 -14.919 1.00 0.00 C ATOM 711 CG1 VAL A 44 -4.505 24.788 -13.799 1.00 0.00 C ATOM 712 CG2 VAL A 44 -4.102 24.405 -16.233 1.00 0.00 C ATOM 0 H VAL A 44 -4.316 21.435 -16.203 1.00 0.00 H new ATOM 0 HA VAL A 44 -2.622 22.917 -14.308 1.00 0.00 H new ATOM 0 HB VAL A 44 -5.543 23.395 -15.026 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -5.152 25.625 -14.061 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -4.863 24.327 -12.879 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -3.487 25.149 -13.652 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -4.754 25.251 -16.451 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -3.072 24.752 -16.155 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -4.178 23.672 -17.036 1.00 0.00 H new ATOM 722 N ILE A 45 -5.112 20.869 -13.693 1.00 0.00 N ATOM 723 CA ILE A 45 -5.820 20.150 -12.644 1.00 0.00 C ATOM 724 C ILE A 45 -4.949 19.062 -12.026 1.00 0.00 C ATOM 725 O ILE A 45 -4.270 18.306 -12.723 1.00 0.00 O ATOM 726 CB ILE A 45 -7.125 19.515 -13.163 1.00 0.00 C ATOM 727 CG1 ILE A 45 -8.029 20.580 -13.782 1.00 0.00 C ATOM 728 CG2 ILE A 45 -7.857 18.791 -12.037 1.00 0.00 C ATOM 729 CD1 ILE A 45 -9.271 20.009 -14.427 1.00 0.00 C ATOM 0 H ILE A 45 -5.363 20.593 -14.642 1.00 0.00 H new ATOM 0 HA ILE A 45 -6.067 20.889 -11.881 1.00 0.00 H new ATOM 0 HB ILE A 45 -6.867 18.787 -13.932 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -8.323 21.291 -13.010 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -7.464 21.137 -14.529 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -8.775 18.350 -12.425 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -7.218 18.005 -11.635 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -8.101 19.501 -11.246 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -9.868 20.819 -14.847 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -8.984 19.320 -15.222 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -9.857 19.476 -13.679 1.00 0.00 H new ATOM 741 N ASP A 46 -4.992 19.002 -10.708 1.00 0.00 N ATOM 742 CA ASP A 46 -4.252 18.013 -9.938 1.00 0.00 C ATOM 743 C ASP A 46 -5.241 17.046 -9.306 1.00 0.00 C ATOM 744 O ASP A 46 -6.436 17.335 -9.244 1.00 0.00 O ATOM 745 CB ASP A 46 -3.447 18.706 -8.832 1.00 0.00 C ATOM 746 CG ASP A 46 -2.310 17.862 -8.295 1.00 0.00 C ATOM 747 OD1 ASP A 46 -2.569 16.920 -7.517 1.00 0.00 O ATOM 748 OD2 ASP A 46 -1.145 18.149 -8.640 1.00 0.00 O ATOM 0 H ASP A 46 -5.544 19.641 -10.136 1.00 0.00 H new ATOM 0 HA ASP A 46 -3.567 17.477 -10.595 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -3.043 19.642 -9.219 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -4.117 18.963 -8.012 1.00 0.00 H new ATOM 753 N GLN A 47 -4.751 15.916 -8.829 1.00 0.00 N ATOM 754 CA GLN A 47 -5.582 14.987 -8.077 1.00 0.00 C ATOM 755 C GLN A 47 -6.098 15.667 -6.815 1.00 0.00 C ATOM 756 O GLN A 47 -7.241 15.471 -6.404 1.00 0.00 O ATOM 757 CB GLN A 47 -4.785 13.745 -7.702 1.00 0.00 C ATOM 758 CG GLN A 47 -4.382 12.895 -8.893 1.00 0.00 C ATOM 759 CD GLN A 47 -3.719 11.596 -8.483 1.00 0.00 C ATOM 760 OE1 GLN A 47 -4.017 11.038 -7.427 1.00 0.00 O ATOM 761 NE2 GLN A 47 -2.819 11.102 -9.319 1.00 0.00 N ATOM 0 H GLN A 47 -3.783 15.618 -8.948 1.00 0.00 H new ATOM 0 HA GLN A 47 -6.425 14.687 -8.700 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -3.887 14.049 -7.164 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -5.377 13.138 -7.017 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -5.265 12.675 -9.493 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -3.700 13.463 -9.526 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -2.601 11.596 -10.184 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -2.344 10.227 -9.098 1.00 0.00 H new ATOM 770 N LYS A 48 -5.239 16.491 -6.224 1.00 0.00 N ATOM 771 CA LYS A 48 -5.580 17.242 -5.023 1.00 0.00 C ATOM 772 C LYS A 48 -6.720 18.211 -5.312 1.00 0.00 C ATOM 773 O LYS A 48 -7.648 18.364 -4.518 1.00 0.00 O ATOM 774 CB LYS A 48 -4.358 18.015 -4.533 1.00 0.00 C ATOM 775 CG LYS A 48 -3.107 17.157 -4.356 1.00 0.00 C ATOM 776 CD LYS A 48 -3.318 15.978 -3.409 1.00 0.00 C ATOM 777 CE LYS A 48 -3.324 16.401 -1.946 1.00 0.00 C ATOM 778 NZ LYS A 48 -4.561 17.132 -1.565 1.00 0.00 N ATOM 0 H LYS A 48 -4.291 16.656 -6.563 1.00 0.00 H new ATOM 0 HA LYS A 48 -5.899 16.543 -4.250 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -4.140 18.815 -5.241 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -4.599 18.488 -3.581 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -2.791 16.781 -5.329 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -2.297 17.780 -3.976 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -4.263 15.489 -3.647 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -2.530 15.242 -3.568 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -3.221 15.517 -1.316 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -2.458 17.034 -1.752 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -4.743 17.001 -0.549 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -4.442 18.145 -1.767 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -5.365 16.762 -2.111 1.00 0.00 H new ATOM 792 N MET A 49 -6.629 18.857 -6.467 1.00 0.00 N ATOM 793 CA MET A 49 -7.656 19.765 -6.945 1.00 0.00 C ATOM 794 C MET A 49 -9.001 19.053 -7.012 1.00 0.00 C ATOM 795 O MET A 49 -10.032 19.601 -6.624 1.00 0.00 O ATOM 796 CB MET A 49 -7.276 20.267 -8.338 1.00 0.00 C ATOM 797 CG MET A 49 -8.272 21.238 -8.928 1.00 0.00 C ATOM 798 SD MET A 49 -8.011 22.934 -8.387 1.00 0.00 S ATOM 799 CE MET A 49 -6.430 23.288 -9.152 1.00 0.00 C ATOM 0 H MET A 49 -5.835 18.763 -7.100 1.00 0.00 H new ATOM 0 HA MET A 49 -7.736 20.606 -6.256 1.00 0.00 H new ATOM 0 HB2 MET A 49 -6.300 20.749 -8.287 1.00 0.00 H new ATOM 0 HB3 MET A 49 -7.175 19.413 -9.007 1.00 0.00 H new ATOM 0 HG2 MET A 49 -8.210 21.196 -10.015 1.00 0.00 H new ATOM 0 HG3 MET A 49 -9.280 20.927 -8.654 1.00 0.00 H new ATOM 0 HE1 MET A 49 -5.701 23.537 -8.381 1.00 0.00 H new ATOM 0 HE2 MET A 49 -6.089 22.413 -9.705 1.00 0.00 H new ATOM 0 HE3 MET A 49 -6.537 24.130 -9.836 1.00 0.00 H new ATOM 809 N ILE A 50 -8.962 17.820 -7.500 1.00 0.00 N ATOM 810 CA ILE A 50 -10.149 16.988 -7.652 1.00 0.00 C ATOM 811 C ILE A 50 -10.837 16.741 -6.308 1.00 0.00 C ATOM 812 O ILE A 50 -12.066 16.718 -6.221 1.00 0.00 O ATOM 813 CB ILE A 50 -9.763 15.637 -8.291 1.00 0.00 C ATOM 814 CG1 ILE A 50 -9.270 15.845 -9.722 1.00 0.00 C ATOM 815 CG2 ILE A 50 -10.923 14.661 -8.265 1.00 0.00 C ATOM 816 CD1 ILE A 50 -10.321 16.409 -10.659 1.00 0.00 C ATOM 0 H ILE A 50 -8.101 17.366 -7.803 1.00 0.00 H new ATOM 0 HA ILE A 50 -10.848 17.518 -8.299 1.00 0.00 H new ATOM 0 HB ILE A 50 -8.954 15.207 -7.700 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -8.413 16.518 -9.706 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -8.919 14.892 -10.117 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -10.617 13.720 -8.723 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -11.224 14.482 -7.233 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -11.762 15.079 -8.821 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -9.894 16.528 -11.655 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -11.170 15.727 -10.707 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -10.655 17.378 -10.290 1.00 0.00 H new ATOM 828 N GLU A 51 -10.030 16.536 -5.280 1.00 0.00 N ATOM 829 CA GLU A 51 -10.526 16.350 -3.917 1.00 0.00 C ATOM 830 C GLU A 51 -11.192 17.627 -3.412 1.00 0.00 C ATOM 831 O GLU A 51 -12.310 17.601 -2.895 1.00 0.00 O ATOM 832 CB GLU A 51 -9.379 15.992 -2.963 1.00 0.00 C ATOM 833 CG GLU A 51 -8.526 14.815 -3.406 1.00 0.00 C ATOM 834 CD GLU A 51 -7.404 14.526 -2.427 1.00 0.00 C ATOM 835 OE1 GLU A 51 -6.524 15.399 -2.247 1.00 0.00 O ATOM 836 OE2 GLU A 51 -7.408 13.439 -1.810 1.00 0.00 O ATOM 0 H GLU A 51 -9.014 16.493 -5.361 1.00 0.00 H new ATOM 0 HA GLU A 51 -11.251 15.536 -3.940 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -8.737 16.865 -2.846 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -9.797 15.770 -1.981 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -9.154 13.930 -3.509 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -8.104 15.023 -4.390 1.00 0.00 H new ATOM 843 N LYS A 52 -10.489 18.743 -3.577 1.00 0.00 N ATOM 844 CA LYS A 52 -10.956 20.037 -3.092 1.00 0.00 C ATOM 845 C LYS A 52 -12.277 20.422 -3.741 1.00 0.00 C ATOM 846 O LYS A 52 -13.222 20.810 -3.060 1.00 0.00 O ATOM 847 CB LYS A 52 -9.908 21.119 -3.370 1.00 0.00 C ATOM 848 CG LYS A 52 -8.603 20.920 -2.617 1.00 0.00 C ATOM 849 CD LYS A 52 -8.523 21.749 -1.334 1.00 0.00 C ATOM 850 CE LYS A 52 -9.685 21.482 -0.387 1.00 0.00 C ATOM 851 NZ LYS A 52 -10.757 22.507 -0.514 1.00 0.00 N ATOM 0 H LYS A 52 -9.585 18.776 -4.048 1.00 0.00 H new ATOM 0 HA LYS A 52 -11.112 19.954 -2.016 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -9.699 21.142 -4.440 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -10.324 22.091 -3.105 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -8.490 19.865 -2.369 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -7.770 21.186 -3.268 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -7.586 21.530 -0.823 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -8.506 22.808 -1.591 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -10.101 20.496 -0.593 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -9.319 21.466 0.640 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -11.240 22.620 0.400 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -10.337 23.415 -0.798 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -11.444 22.203 -1.233 1.00 0.00 H new ATOM 865 N SER A 53 -12.345 20.278 -5.051 1.00 0.00 N ATOM 866 CA SER A 53 -13.514 20.698 -5.803 1.00 0.00 C ATOM 867 C SER A 53 -14.505 19.548 -5.978 1.00 0.00 C ATOM 868 O SER A 53 -15.389 19.613 -6.825 1.00 0.00 O ATOM 869 CB SER A 53 -13.079 21.240 -7.166 1.00 0.00 C ATOM 870 OG SER A 53 -12.263 20.305 -7.847 1.00 0.00 O ATOM 0 H SER A 53 -11.602 19.872 -5.619 1.00 0.00 H new ATOM 0 HA SER A 53 -14.019 21.486 -5.244 1.00 0.00 H new ATOM 0 HB2 SER A 53 -13.958 21.467 -7.768 1.00 0.00 H new ATOM 0 HB3 SER A 53 -12.534 22.174 -7.033 1.00 0.00 H new ATOM 0 HG SER A 53 -11.366 20.305 -7.452 1.00 0.00 H new ATOM 876 N LEU A 54 -14.362 18.508 -5.158 1.00 0.00 N ATOM 877 CA LEU A 54 -15.236 17.341 -5.229 1.00 0.00 C ATOM 878 C LEU A 54 -16.700 17.758 -5.175 1.00 0.00 C ATOM 879 O LEU A 54 -17.510 17.333 -5.998 1.00 0.00 O ATOM 880 CB LEU A 54 -14.938 16.382 -4.075 1.00 0.00 C ATOM 881 CG LEU A 54 -14.706 14.934 -4.490 1.00 0.00 C ATOM 882 CD1 LEU A 54 -14.470 14.051 -3.277 1.00 0.00 C ATOM 883 CD2 LEU A 54 -15.875 14.413 -5.300 1.00 0.00 C ATOM 0 H LEU A 54 -13.646 18.451 -4.434 1.00 0.00 H new ATOM 0 HA LEU A 54 -15.047 16.837 -6.177 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -14.056 16.739 -3.544 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -15.769 16.414 -3.371 1.00 0.00 H new ATOM 0 HG LEU A 54 -13.812 14.905 -5.113 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -14.307 13.023 -3.601 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -13.592 14.404 -2.735 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -15.341 14.091 -2.623 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -15.687 13.378 -5.585 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -16.784 14.465 -4.701 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -15.996 15.020 -6.197 1.00 0.00 H new ATOM 895 N ASN A 55 -17.015 18.593 -4.200 1.00 0.00 N ATOM 896 CA ASN A 55 -18.366 19.124 -4.032 1.00 0.00 C ATOM 897 C ASN A 55 -18.803 19.951 -5.243 1.00 0.00 C ATOM 898 O ASN A 55 -19.938 19.828 -5.701 1.00 0.00 O ATOM 899 CB ASN A 55 -18.476 19.956 -2.744 1.00 0.00 C ATOM 900 CG ASN A 55 -17.287 20.876 -2.498 1.00 0.00 C ATOM 901 OD1 ASN A 55 -16.624 21.343 -3.426 1.00 0.00 O ATOM 902 ND2 ASN A 55 -17.006 21.138 -1.231 1.00 0.00 N ATOM 0 H ASN A 55 -16.348 18.924 -3.503 1.00 0.00 H new ATOM 0 HA ASN A 55 -19.040 18.271 -3.951 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -19.384 20.557 -2.788 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -18.582 19.281 -1.895 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -16.219 21.744 -0.998 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -17.576 20.734 -0.488 1.00 0.00 H new ATOM 909 N LYS A 56 -17.899 20.776 -5.759 1.00 0.00 N ATOM 910 CA LYS A 56 -18.181 21.607 -6.926 1.00 0.00 C ATOM 911 C LYS A 56 -18.515 20.734 -8.132 1.00 0.00 C ATOM 912 O LYS A 56 -19.538 20.929 -8.787 1.00 0.00 O ATOM 913 CB LYS A 56 -16.978 22.497 -7.252 1.00 0.00 C ATOM 914 CG LYS A 56 -16.531 23.382 -6.097 1.00 0.00 C ATOM 915 CD LYS A 56 -17.463 24.567 -5.882 1.00 0.00 C ATOM 916 CE LYS A 56 -17.312 25.610 -6.980 1.00 0.00 C ATOM 917 NZ LYS A 56 -18.020 26.878 -6.649 1.00 0.00 N ATOM 0 H LYS A 56 -16.957 20.888 -5.385 1.00 0.00 H new ATOM 0 HA LYS A 56 -19.039 22.239 -6.696 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -16.143 21.865 -7.556 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -17.227 23.129 -8.105 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -16.485 22.788 -5.184 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -15.522 23.747 -6.291 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -18.495 24.217 -5.852 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -17.253 25.024 -4.915 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -16.254 25.817 -7.140 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -17.703 25.210 -7.916 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -17.920 27.548 -7.438 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -19.028 26.681 -6.488 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -17.607 27.292 -5.789 1.00 0.00 H new ATOM 931 N LEU A 57 -17.646 19.766 -8.410 1.00 0.00 N ATOM 932 CA LEU A 57 -17.846 18.848 -9.528 1.00 0.00 C ATOM 933 C LEU A 57 -19.147 18.069 -9.371 1.00 0.00 C ATOM 934 O LEU A 57 -19.900 17.898 -10.331 1.00 0.00 O ATOM 935 CB LEU A 57 -16.680 17.856 -9.644 1.00 0.00 C ATOM 936 CG LEU A 57 -15.463 18.313 -10.462 1.00 0.00 C ATOM 937 CD1 LEU A 57 -15.884 18.723 -11.859 1.00 0.00 C ATOM 938 CD2 LEU A 57 -14.719 19.443 -9.772 1.00 0.00 C ATOM 0 H LEU A 57 -16.794 19.597 -7.875 1.00 0.00 H new ATOM 0 HA LEU A 57 -17.895 19.452 -10.434 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -16.341 17.611 -8.638 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -17.060 16.935 -10.085 1.00 0.00 H new ATOM 0 HG LEU A 57 -14.779 17.468 -10.539 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -15.008 19.044 -12.423 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -16.350 17.876 -12.362 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -16.597 19.545 -11.798 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -13.864 19.740 -10.380 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -15.387 20.294 -9.645 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -14.370 19.106 -8.796 1.00 0.00 H new ATOM 950 N TYR A 58 -19.406 17.598 -8.156 1.00 0.00 N ATOM 951 CA TYR A 58 -20.594 16.800 -7.889 1.00 0.00 C ATOM 952 C TYR A 58 -21.851 17.643 -8.065 1.00 0.00 C ATOM 953 O TYR A 58 -22.831 17.195 -8.659 1.00 0.00 O ATOM 954 CB TYR A 58 -20.543 16.209 -6.479 1.00 0.00 C ATOM 955 CG TYR A 58 -21.499 15.055 -6.286 1.00 0.00 C ATOM 956 CD1 TYR A 58 -21.245 13.826 -6.876 1.00 0.00 C ATOM 957 CD2 TYR A 58 -22.659 15.198 -5.538 1.00 0.00 C ATOM 958 CE1 TYR A 58 -22.117 12.767 -6.724 1.00 0.00 C ATOM 959 CE2 TYR A 58 -23.540 14.143 -5.381 1.00 0.00 C ATOM 960 CZ TYR A 58 -23.267 12.929 -5.977 1.00 0.00 C ATOM 961 OH TYR A 58 -24.148 11.878 -5.829 1.00 0.00 O ATOM 0 H TYR A 58 -18.810 17.755 -7.343 1.00 0.00 H new ATOM 0 HA TYR A 58 -20.622 15.978 -8.605 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -19.528 15.871 -6.269 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -20.775 16.990 -5.755 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -20.349 13.695 -7.465 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -22.877 16.147 -5.071 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -21.901 11.816 -7.187 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -24.438 14.269 -4.794 1.00 0.00 H new ATOM 0 HH TYR A 58 -24.904 12.161 -5.273 1.00 0.00 H new ATOM 971 N GLU A 59 -21.809 18.871 -7.565 1.00 0.00 N ATOM 972 CA GLU A 59 -22.919 19.801 -7.712 1.00 0.00 C ATOM 973 C GLU A 59 -23.203 20.047 -9.194 1.00 0.00 C ATOM 974 O GLU A 59 -24.351 20.176 -9.612 1.00 0.00 O ATOM 975 CB GLU A 59 -22.581 21.125 -7.018 1.00 0.00 C ATOM 976 CG GLU A 59 -23.764 22.068 -6.869 1.00 0.00 C ATOM 977 CD GLU A 59 -24.846 21.496 -5.977 1.00 0.00 C ATOM 978 OE1 GLU A 59 -24.671 21.506 -4.740 1.00 0.00 O ATOM 979 OE2 GLU A 59 -25.872 21.028 -6.507 1.00 0.00 O ATOM 0 H GLU A 59 -21.012 19.247 -7.051 1.00 0.00 H new ATOM 0 HA GLU A 59 -23.807 19.371 -7.249 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -22.174 20.911 -6.030 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -21.797 21.629 -7.583 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -23.420 23.017 -6.457 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -24.182 22.281 -7.853 1.00 0.00 H new ATOM 986 N TYR A 60 -22.134 20.085 -9.979 1.00 0.00 N ATOM 987 CA TYR A 60 -22.211 20.343 -11.412 1.00 0.00 C ATOM 988 C TYR A 60 -22.907 19.204 -12.160 1.00 0.00 C ATOM 989 O TYR A 60 -23.760 19.443 -13.013 1.00 0.00 O ATOM 990 CB TYR A 60 -20.790 20.540 -11.953 1.00 0.00 C ATOM 991 CG TYR A 60 -20.683 20.682 -13.456 1.00 0.00 C ATOM 992 CD1 TYR A 60 -20.903 21.906 -14.074 1.00 0.00 C ATOM 993 CD2 TYR A 60 -20.325 19.596 -14.254 1.00 0.00 C ATOM 994 CE1 TYR A 60 -20.773 22.047 -15.439 1.00 0.00 C ATOM 995 CE2 TYR A 60 -20.199 19.731 -15.627 1.00 0.00 C ATOM 996 CZ TYR A 60 -20.423 20.961 -16.209 1.00 0.00 C ATOM 997 OH TYR A 60 -20.279 21.114 -17.566 1.00 0.00 O ATOM 0 H TYR A 60 -21.184 19.937 -9.638 1.00 0.00 H new ATOM 0 HA TYR A 60 -22.806 21.242 -11.572 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -20.363 21.429 -11.489 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -20.179 19.693 -11.640 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -21.180 22.761 -13.476 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -20.143 18.635 -13.795 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -20.945 23.007 -15.903 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -19.928 18.881 -16.236 1.00 0.00 H new ATOM 0 HH TYR A 60 -20.893 20.508 -18.031 1.00 0.00 H new ATOM 1007 N ILE A 61 -22.541 17.971 -11.844 1.00 0.00 N ATOM 1008 CA ILE A 61 -23.055 16.821 -12.580 1.00 0.00 C ATOM 1009 C ILE A 61 -24.499 16.501 -12.204 1.00 0.00 C ATOM 1010 O ILE A 61 -25.269 16.017 -13.036 1.00 0.00 O ATOM 1011 CB ILE A 61 -22.175 15.567 -12.382 1.00 0.00 C ATOM 1012 CG1 ILE A 61 -22.130 15.145 -10.913 1.00 0.00 C ATOM 1013 CG2 ILE A 61 -20.774 15.836 -12.896 1.00 0.00 C ATOM 1014 CD1 ILE A 61 -21.274 13.923 -10.659 1.00 0.00 C ATOM 0 H ILE A 61 -21.895 17.740 -11.089 1.00 0.00 H new ATOM 0 HA ILE A 61 -23.026 17.100 -13.633 1.00 0.00 H new ATOM 0 HB ILE A 61 -22.616 14.747 -12.949 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -21.750 15.975 -10.317 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -23.145 14.945 -10.570 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -20.158 14.948 -12.754 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -20.817 16.082 -13.957 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -20.339 16.671 -12.347 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -21.289 13.683 -9.596 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -21.666 13.080 -11.227 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -20.249 14.125 -10.970 1.00 0.00 H new ATOM 1026 N GLU A 62 -24.866 16.775 -10.957 1.00 0.00 N ATOM 1027 CA GLU A 62 -26.207 16.465 -10.473 1.00 0.00 C ATOM 1028 C GLU A 62 -27.210 17.535 -10.896 1.00 0.00 C ATOM 1029 O GLU A 62 -28.403 17.257 -11.034 1.00 0.00 O ATOM 1030 CB GLU A 62 -26.200 16.331 -8.951 1.00 0.00 C ATOM 1031 CG GLU A 62 -25.235 15.277 -8.440 1.00 0.00 C ATOM 1032 CD GLU A 62 -25.689 13.857 -8.726 1.00 0.00 C ATOM 1033 OE1 GLU A 62 -25.647 13.428 -9.898 1.00 0.00 O ATOM 1034 OE2 GLU A 62 -26.072 13.150 -7.776 1.00 0.00 O ATOM 0 H GLU A 62 -24.256 17.210 -10.265 1.00 0.00 H new ATOM 0 HA GLU A 62 -26.513 15.518 -10.917 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -25.940 17.294 -8.511 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -27.206 16.086 -8.611 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -24.258 15.437 -8.896 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -25.109 15.401 -7.364 1.00 0.00 H new ATOM 1041 N GLN A 63 -26.728 18.755 -11.097 1.00 0.00 N ATOM 1042 CA GLN A 63 -27.602 19.857 -11.499 1.00 0.00 C ATOM 1043 C GLN A 63 -27.893 19.810 -12.998 1.00 0.00 C ATOM 1044 O GLN A 63 -27.332 18.990 -13.730 1.00 0.00 O ATOM 1045 CB GLN A 63 -26.990 21.213 -11.127 1.00 0.00 C ATOM 1046 CG GLN A 63 -25.789 21.608 -11.968 1.00 0.00 C ATOM 1047 CD GLN A 63 -25.291 22.999 -11.637 1.00 0.00 C ATOM 1048 OE1 GLN A 63 -25.704 23.983 -12.248 1.00 0.00 O ATOM 1049 NE2 GLN A 63 -24.413 23.094 -10.652 1.00 0.00 N ATOM 0 H GLN A 63 -25.746 19.008 -10.990 1.00 0.00 H new ATOM 0 HA GLN A 63 -28.541 19.740 -10.959 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -27.756 21.983 -11.224 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -26.693 21.189 -10.079 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -24.985 20.889 -11.810 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -26.056 21.561 -13.024 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -24.095 22.254 -10.170 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -24.054 24.008 -10.375 1.00 0.00 H new ATOM 1058 N SER A 64 -28.774 20.691 -13.443 1.00 0.00 N ATOM 1059 CA SER A 64 -29.156 20.754 -14.843 1.00 0.00 C ATOM 1060 C SER A 64 -28.068 21.434 -15.669 1.00 0.00 C ATOM 1061 O SER A 64 -27.762 22.608 -15.462 1.00 0.00 O ATOM 1062 CB SER A 64 -30.475 21.518 -14.989 1.00 0.00 C ATOM 1063 OG SER A 64 -31.470 20.995 -14.123 1.00 0.00 O ATOM 0 H SER A 64 -29.241 21.377 -12.849 1.00 0.00 H new ATOM 0 HA SER A 64 -29.285 19.737 -15.212 1.00 0.00 H new ATOM 0 HB2 SER A 64 -30.314 22.573 -14.767 1.00 0.00 H new ATOM 0 HB3 SER A 64 -30.820 21.459 -16.021 1.00 0.00 H new ATOM 0 HG SER A 64 -32.165 21.671 -13.977 1.00 0.00 H new ATOM 1069 N LYS A 65 -27.470 20.690 -16.588 1.00 0.00 N ATOM 1070 CA LYS A 65 -26.470 21.258 -17.483 1.00 0.00 C ATOM 1071 C LYS A 65 -27.150 21.988 -18.631 1.00 0.00 C ATOM 1072 O LYS A 65 -26.668 23.012 -19.106 1.00 0.00 O ATOM 1073 CB LYS A 65 -25.560 20.170 -18.041 1.00 0.00 C ATOM 1074 CG LYS A 65 -24.877 19.331 -16.977 1.00 0.00 C ATOM 1075 CD LYS A 65 -23.959 18.308 -17.609 1.00 0.00 C ATOM 1076 CE LYS A 65 -23.423 17.324 -16.590 1.00 0.00 C ATOM 1077 NZ LYS A 65 -22.531 16.330 -17.228 1.00 0.00 N ATOM 0 H LYS A 65 -27.657 19.698 -16.734 1.00 0.00 H new ATOM 0 HA LYS A 65 -25.865 21.962 -16.911 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -26.147 19.515 -18.685 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -24.798 20.634 -18.668 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -24.306 19.976 -16.310 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -25.627 18.827 -16.368 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -24.499 17.767 -18.387 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -23.127 18.818 -18.094 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -22.878 17.861 -15.813 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -24.253 16.813 -16.102 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -22.729 15.386 -16.840 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -22.696 16.324 -18.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -21.540 16.581 -17.039 1.00 0.00 H new ATOM 1091 N ASN A 66 -28.275 21.443 -19.074 1.00 0.00 N ATOM 1092 CA ASN A 66 -29.062 22.059 -20.132 1.00 0.00 C ATOM 1093 C ASN A 66 -29.905 23.189 -19.561 1.00 0.00 C ATOM 1094 O ASN A 66 -29.820 23.495 -18.374 1.00 0.00 O ATOM 1095 CB ASN A 66 -29.952 21.016 -20.819 1.00 0.00 C ATOM 1096 CG ASN A 66 -30.835 20.260 -19.842 1.00 0.00 C ATOM 1097 OD1 ASN A 66 -30.402 19.282 -19.234 1.00 0.00 O ATOM 1098 ND2 ASN A 66 -32.079 20.689 -19.697 1.00 0.00 N ATOM 0 H ASN A 66 -28.664 20.571 -18.715 1.00 0.00 H new ATOM 0 HA ASN A 66 -28.384 22.471 -20.879 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -30.579 21.512 -21.560 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -29.323 20.307 -21.357 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -32.715 20.205 -19.064 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -32.401 21.504 -20.219 1.00 0.00 H new ATOM 1105 N CYS A 67 -30.725 23.810 -20.394 1.00 0.00 N ATOM 1106 CA CYS A 67 -31.529 24.929 -19.928 1.00 0.00 C ATOM 1107 C CYS A 67 -32.825 25.022 -20.716 1.00 0.00 C ATOM 1108 O CYS A 67 -32.892 24.594 -21.870 1.00 0.00 O ATOM 1109 CB CYS A 67 -30.757 26.245 -20.037 1.00 0.00 C ATOM 1110 SG CYS A 67 -30.986 27.124 -21.617 1.00 0.00 S ATOM 0 H CYS A 67 -30.851 23.565 -21.376 1.00 0.00 H new ATOM 0 HA CYS A 67 -31.765 24.753 -18.878 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -31.064 26.901 -19.223 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -29.695 26.042 -19.899 1.00 0.00 H new ATOM 0 HG CYS A 67 -30.985 26.267 -22.594 1.00 0.00 H new ATOM 1115 N SER A 68 -33.810 25.650 -20.109 1.00 0.00 N ATOM 1116 CA SER A 68 -35.167 25.701 -20.645 1.00 0.00 C ATOM 1117 C SER A 68 -35.221 26.514 -21.937 1.00 0.00 C ATOM 1118 O SER A 68 -36.156 26.390 -22.725 1.00 0.00 O ATOM 1119 CB SER A 68 -36.118 26.296 -19.597 1.00 0.00 C ATOM 1120 OG SER A 68 -37.466 26.287 -20.041 1.00 0.00 O ATOM 0 H SER A 68 -33.698 26.145 -19.224 1.00 0.00 H new ATOM 0 HA SER A 68 -35.483 24.684 -20.879 1.00 0.00 H new ATOM 0 HB2 SER A 68 -36.037 25.729 -18.670 1.00 0.00 H new ATOM 0 HB3 SER A 68 -35.816 27.319 -19.372 1.00 0.00 H new ATOM 0 HG SER A 68 -38.041 26.672 -19.347 1.00 0.00 H new ATOM 1126 N TYR A 69 -34.205 27.338 -22.155 1.00 0.00 N ATOM 1127 CA TYR A 69 -34.126 28.158 -23.359 1.00 0.00 C ATOM 1128 C TYR A 69 -33.714 27.325 -24.572 1.00 0.00 C ATOM 1129 O TYR A 69 -33.597 27.836 -25.680 1.00 0.00 O ATOM 1130 CB TYR A 69 -33.125 29.284 -23.149 1.00 0.00 C ATOM 1131 CG TYR A 69 -33.554 30.606 -23.747 1.00 0.00 C ATOM 1132 CD1 TYR A 69 -33.252 30.927 -25.064 1.00 0.00 C ATOM 1133 CD2 TYR A 69 -34.267 31.530 -22.994 1.00 0.00 C ATOM 1134 CE1 TYR A 69 -33.641 32.134 -25.611 1.00 0.00 C ATOM 1135 CE2 TYR A 69 -34.657 32.740 -23.534 1.00 0.00 C ATOM 1136 CZ TYR A 69 -34.347 33.035 -24.844 1.00 0.00 C ATOM 1137 OH TYR A 69 -34.729 34.242 -25.382 1.00 0.00 O ATOM 0 H TYR A 69 -33.422 27.457 -21.513 1.00 0.00 H new ATOM 0 HA TYR A 69 -35.115 28.574 -23.551 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -32.961 29.416 -22.080 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -32.169 28.993 -23.584 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -32.704 30.221 -25.670 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -34.520 31.299 -21.970 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -33.393 32.371 -26.635 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -35.203 33.452 -22.932 1.00 0.00 H new ATOM 0 HH TYR A 69 -35.219 34.759 -24.709 1.00 0.00 H new ATOM 1147 N CYS A 70 -33.455 26.047 -24.350 1.00 0.00 N ATOM 1148 CA CYS A 70 -33.137 25.144 -25.455 1.00 0.00 C ATOM 1149 C CYS A 70 -33.943 23.848 -25.371 1.00 0.00 C ATOM 1150 O CYS A 70 -34.485 23.391 -26.374 1.00 0.00 O ATOM 1151 CB CYS A 70 -31.634 24.848 -25.523 1.00 0.00 C ATOM 1152 SG CYS A 70 -30.903 24.218 -23.981 1.00 0.00 S ATOM 0 H CYS A 70 -33.457 25.611 -23.428 1.00 0.00 H new ATOM 0 HA CYS A 70 -33.420 25.653 -26.376 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -31.458 24.120 -26.315 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -31.112 25.761 -25.808 1.00 0.00 H new ATOM 0 HG CYS A 70 -31.811 24.186 -23.051 1.00 0.00 H new ATOM 1157 N SER A 71 -34.040 23.267 -24.180 1.00 0.00 N ATOM 1158 CA SER A 71 -34.802 22.043 -24.006 1.00 0.00 C ATOM 1159 C SER A 71 -36.286 22.371 -23.897 1.00 0.00 C ATOM 1160 O SER A 71 -36.655 23.466 -23.470 1.00 0.00 O ATOM 1161 CB SER A 71 -34.308 21.281 -22.768 1.00 0.00 C ATOM 1162 OG SER A 71 -34.171 22.144 -21.651 1.00 0.00 O ATOM 0 H SER A 71 -33.603 23.623 -23.330 1.00 0.00 H new ATOM 0 HA SER A 71 -34.656 21.400 -24.874 1.00 0.00 H new ATOM 0 HB2 SER A 71 -35.008 20.481 -22.528 1.00 0.00 H new ATOM 0 HB3 SER A 71 -33.349 20.811 -22.987 1.00 0.00 H new ATOM 0 HG SER A 71 -34.332 21.640 -20.826 1.00 0.00 H new ATOM 1168 N GLU A 72 -37.131 21.437 -24.297 1.00 0.00 N ATOM 1169 CA GLU A 72 -38.567 21.670 -24.299 1.00 0.00 C ATOM 1170 C GLU A 72 -39.152 21.449 -22.910 1.00 0.00 C ATOM 1171 O GLU A 72 -40.319 21.754 -22.661 1.00 0.00 O ATOM 1172 CB GLU A 72 -39.257 20.734 -25.291 1.00 0.00 C ATOM 1173 CG GLU A 72 -39.140 19.266 -24.911 1.00 0.00 C ATOM 1174 CD GLU A 72 -40.070 18.382 -25.704 1.00 0.00 C ATOM 1175 OE1 GLU A 72 -41.300 18.503 -25.527 1.00 0.00 O ATOM 1176 OE2 GLU A 72 -39.583 17.559 -26.501 1.00 0.00 O ATOM 0 H GLU A 72 -36.850 20.512 -24.624 1.00 0.00 H new ATOM 0 HA GLU A 72 -38.738 22.704 -24.597 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -40.311 21.002 -25.360 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -38.825 20.882 -26.281 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -38.113 18.936 -25.065 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -39.355 19.152 -23.849 1.00 0.00 H new ATOM 1183 N ASP A 73 -38.328 20.902 -22.022 1.00 0.00 N ATOM 1184 CA ASP A 73 -38.755 20.528 -20.680 1.00 0.00 C ATOM 1185 C ASP A 73 -39.384 21.690 -19.933 1.00 0.00 C ATOM 1186 O ASP A 73 -38.709 22.655 -19.579 1.00 0.00 O ATOM 1187 CB ASP A 73 -37.571 19.998 -19.869 1.00 0.00 C ATOM 1188 CG ASP A 73 -37.025 18.705 -20.419 1.00 0.00 C ATOM 1189 OD1 ASP A 73 -36.167 18.759 -21.319 1.00 0.00 O ATOM 1190 OD2 ASP A 73 -37.459 17.630 -19.950 1.00 0.00 O ATOM 0 H ASP A 73 -37.345 20.706 -22.213 1.00 0.00 H new ATOM 0 HA ASP A 73 -39.508 19.748 -20.797 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -36.779 20.747 -19.857 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -37.882 19.846 -18.835 1.00 0.00 H new ATOM 1195 N GLU A 74 -40.682 21.588 -19.692 1.00 0.00 N ATOM 1196 CA GLU A 74 -41.375 22.536 -18.834 1.00 0.00 C ATOM 1197 C GLU A 74 -40.940 22.319 -17.391 1.00 0.00 C ATOM 1198 O GLU A 74 -41.042 23.210 -16.549 1.00 0.00 O ATOM 1199 CB GLU A 74 -42.888 22.353 -18.954 1.00 0.00 C ATOM 1200 CG GLU A 74 -43.340 20.926 -18.690 1.00 0.00 C ATOM 1201 CD GLU A 74 -44.842 20.799 -18.581 1.00 0.00 C ATOM 1202 OE1 GLU A 74 -45.369 20.939 -17.460 1.00 0.00 O ATOM 1203 OE2 GLU A 74 -45.502 20.554 -19.613 1.00 0.00 O ATOM 0 H GLU A 74 -41.278 20.856 -20.080 1.00 0.00 H new ATOM 0 HA GLU A 74 -41.123 23.550 -19.144 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -43.385 23.021 -18.251 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -43.205 22.649 -19.954 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -42.983 20.282 -19.493 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -42.882 20.569 -17.768 1.00 0.00 H new ATOM 1210 N ASN A 75 -40.434 21.118 -17.128 1.00 0.00 N ATOM 1211 CA ASN A 75 -39.978 20.738 -15.798 1.00 0.00 C ATOM 1212 C ASN A 75 -38.525 21.148 -15.593 1.00 0.00 C ATOM 1213 O ASN A 75 -37.923 20.838 -14.563 1.00 0.00 O ATOM 1214 CB ASN A 75 -40.122 19.223 -15.591 1.00 0.00 C ATOM 1215 CG ASN A 75 -39.155 18.417 -16.442 1.00 0.00 C ATOM 1216 OD1 ASN A 75 -38.025 18.144 -16.033 1.00 0.00 O ATOM 1217 ND2 ASN A 75 -39.591 18.017 -17.628 1.00 0.00 N ATOM 0 H ASN A 75 -40.329 20.384 -17.829 1.00 0.00 H new ATOM 0 HA ASN A 75 -40.599 21.256 -15.067 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -39.957 18.987 -14.540 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -41.143 18.924 -15.828 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -38.985 17.465 -18.234 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -40.533 18.262 -17.934 1.00 0.00 H new ATOM 1224 N CYS A 76 -37.965 21.846 -16.575 1.00 0.00 N ATOM 1225 CA CYS A 76 -36.575 22.261 -16.513 1.00 0.00 C ATOM 1226 C CYS A 76 -36.384 23.324 -15.444 1.00 0.00 C ATOM 1227 O CYS A 76 -36.926 24.425 -15.539 1.00 0.00 O ATOM 1228 CB CYS A 76 -36.109 22.797 -17.870 1.00 0.00 C ATOM 1229 SG CYS A 76 -34.337 23.160 -17.960 1.00 0.00 S ATOM 0 H CYS A 76 -38.455 22.135 -17.422 1.00 0.00 H new ATOM 0 HA CYS A 76 -35.973 21.389 -16.256 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -36.358 22.067 -18.641 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -36.666 23.705 -18.099 1.00 0.00 H new ATOM 0 HG CYS A 76 -34.143 24.428 -17.750 1.00 0.00 H new ATOM 1235 N ASN A 77 -35.637 22.975 -14.416 1.00 0.00 N ATOM 1236 CA ASN A 77 -35.291 23.920 -13.374 1.00 0.00 C ATOM 1237 C ASN A 77 -33.787 24.106 -13.357 1.00 0.00 C ATOM 1238 O ASN A 77 -33.037 23.160 -13.615 1.00 0.00 O ATOM 1239 CB ASN A 77 -35.786 23.441 -12.004 1.00 0.00 C ATOM 1240 CG ASN A 77 -35.044 22.220 -11.492 1.00 0.00 C ATOM 1241 OD1 ASN A 77 -34.030 22.338 -10.801 1.00 0.00 O ATOM 1242 ND2 ASN A 77 -35.547 21.040 -11.817 1.00 0.00 N ATOM 0 H ASN A 77 -35.256 22.039 -14.280 1.00 0.00 H new ATOM 0 HA ASN A 77 -35.778 24.872 -13.584 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -35.679 24.251 -11.283 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -36.849 23.211 -12.070 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -35.093 20.186 -11.493 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -36.388 20.985 -12.391 1.00 0.00 H new ATOM 1249 N ASN A 78 -33.350 25.320 -13.084 1.00 0.00 N ATOM 1250 CA ASN A 78 -31.932 25.626 -13.063 1.00 0.00 C ATOM 1251 C ASN A 78 -31.711 26.904 -12.274 1.00 0.00 C ATOM 1252 O ASN A 78 -32.671 27.607 -11.947 1.00 0.00 O ATOM 1253 CB ASN A 78 -31.399 25.780 -14.494 1.00 0.00 C ATOM 1254 CG ASN A 78 -29.929 25.416 -14.625 1.00 0.00 C ATOM 1255 OD1 ASN A 78 -29.143 25.580 -13.689 1.00 0.00 O ATOM 1256 ND2 ASN A 78 -29.555 24.910 -15.787 1.00 0.00 N ATOM 0 H ASN A 78 -33.957 26.112 -12.873 1.00 0.00 H new ATOM 0 HA ASN A 78 -31.391 24.809 -12.586 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -31.984 25.149 -15.163 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -31.543 26.810 -14.820 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -28.583 24.638 -15.936 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -30.238 24.791 -16.535 1.00 0.00 H new ATOM 1263 N LEU A 79 -30.464 27.200 -11.956 1.00 0.00 N ATOM 1264 CA LEU A 79 -30.141 28.413 -11.228 1.00 0.00 C ATOM 1265 C LEU A 79 -30.239 29.607 -12.169 1.00 0.00 C ATOM 1266 O LEU A 79 -31.226 30.342 -12.153 1.00 0.00 O ATOM 1267 CB LEU A 79 -28.742 28.316 -10.617 1.00 0.00 C ATOM 1268 CG LEU A 79 -28.519 27.118 -9.691 1.00 0.00 C ATOM 1269 CD1 LEU A 79 -27.080 27.089 -9.200 1.00 0.00 C ATOM 1270 CD2 LEU A 79 -29.487 27.166 -8.518 1.00 0.00 C ATOM 0 H LEU A 79 -29.660 26.618 -12.190 1.00 0.00 H new ATOM 0 HA LEU A 79 -30.852 28.544 -10.412 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -28.012 28.272 -11.425 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -28.543 29.230 -10.057 1.00 0.00 H new ATOM 0 HG LEU A 79 -28.708 26.203 -10.253 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -26.937 26.231 -8.543 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -26.406 27.009 -10.053 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -26.864 28.006 -8.652 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -29.315 26.307 -7.869 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -29.329 28.085 -7.953 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -30.511 27.140 -8.890 1.00 0.00 H new ATOM 1282 N LEU A 80 -29.212 29.803 -12.980 1.00 0.00 N ATOM 1283 CA LEU A 80 -29.247 30.819 -14.021 1.00 0.00 C ATOM 1284 C LEU A 80 -29.839 30.240 -15.303 1.00 0.00 C ATOM 1285 O LEU A 80 -29.125 29.630 -16.098 1.00 0.00 O ATOM 1286 CB LEU A 80 -27.846 31.386 -14.301 1.00 0.00 C ATOM 1287 CG LEU A 80 -27.274 32.330 -13.234 1.00 0.00 C ATOM 1288 CD1 LEU A 80 -26.954 31.591 -11.943 1.00 0.00 C ATOM 1289 CD2 LEU A 80 -26.031 33.026 -13.770 1.00 0.00 C ATOM 0 H LEU A 80 -28.342 29.271 -12.938 1.00 0.00 H new ATOM 0 HA LEU A 80 -29.877 31.635 -13.668 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -27.157 30.551 -14.426 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -27.875 31.920 -15.251 1.00 0.00 H new ATOM 0 HG LEU A 80 -28.034 33.077 -13.003 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -26.551 32.293 -11.212 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -27.863 31.138 -11.548 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -26.218 30.812 -12.142 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -25.631 33.694 -13.007 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -25.280 32.280 -14.029 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -26.291 33.603 -14.657 1.00 0.00 H new ATOM 1301 N GLU A 81 -31.139 30.402 -15.498 1.00 0.00 N ATOM 1302 CA GLU A 81 -31.772 29.892 -16.706 1.00 0.00 C ATOM 1303 C GLU A 81 -31.461 30.787 -17.895 1.00 0.00 C ATOM 1304 O GLU A 81 -31.255 31.991 -17.753 1.00 0.00 O ATOM 1305 CB GLU A 81 -33.277 29.742 -16.535 1.00 0.00 C ATOM 1306 CG GLU A 81 -33.729 28.295 -16.423 1.00 0.00 C ATOM 1307 CD GLU A 81 -33.328 27.442 -17.620 1.00 0.00 C ATOM 1308 OE1 GLU A 81 -33.005 28.001 -18.696 1.00 0.00 O ATOM 1309 OE2 GLU A 81 -33.340 26.200 -17.499 1.00 0.00 O ATOM 0 H GLU A 81 -31.768 30.874 -14.848 1.00 0.00 H new ATOM 0 HA GLU A 81 -31.360 28.901 -16.895 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -33.590 30.283 -15.642 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -33.780 30.208 -17.382 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -33.307 27.859 -15.518 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -34.813 28.268 -16.314 1.00 0.00 H new ATOM 1316 N GLY A 82 -31.451 30.179 -19.070 1.00 0.00 N ATOM 1317 CA GLY A 82 -30.974 30.848 -20.260 1.00 0.00 C ATOM 1318 C GLY A 82 -29.476 30.678 -20.416 1.00 0.00 C ATOM 1319 O GLY A 82 -28.904 30.975 -21.467 1.00 0.00 O ATOM 0 H GLY A 82 -31.769 29.222 -19.221 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -31.482 30.445 -21.136 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -31.220 31.909 -20.208 1.00 0.00 H new ATOM 1323 N TYR A 83 -28.854 30.148 -19.374 1.00 0.00 N ATOM 1324 CA TYR A 83 -27.422 29.908 -19.357 1.00 0.00 C ATOM 1325 C TYR A 83 -27.159 28.433 -19.093 1.00 0.00 C ATOM 1326 O TYR A 83 -28.088 27.673 -18.821 1.00 0.00 O ATOM 1327 CB TYR A 83 -26.751 30.741 -18.259 1.00 0.00 C ATOM 1328 CG TYR A 83 -26.991 32.232 -18.350 1.00 0.00 C ATOM 1329 CD1 TYR A 83 -28.147 32.801 -17.831 1.00 0.00 C ATOM 1330 CD2 TYR A 83 -26.056 33.070 -18.941 1.00 0.00 C ATOM 1331 CE1 TYR A 83 -28.367 34.162 -17.902 1.00 0.00 C ATOM 1332 CE2 TYR A 83 -26.267 34.433 -19.012 1.00 0.00 C ATOM 1333 CZ TYR A 83 -27.424 34.974 -18.491 1.00 0.00 C ATOM 1334 OH TYR A 83 -27.641 36.333 -18.561 1.00 0.00 O ATOM 0 H TYR A 83 -29.330 29.872 -18.515 1.00 0.00 H new ATOM 0 HA TYR A 83 -27.009 30.195 -20.324 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -27.105 30.390 -17.290 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -25.677 30.559 -18.291 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -28.887 32.168 -17.364 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -25.150 32.650 -19.352 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -29.274 34.587 -17.498 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -25.529 35.073 -19.474 1.00 0.00 H new ATOM 0 HH TYR A 83 -26.881 36.763 -19.005 1.00 0.00 H new ATOM 1344 N HIS A 84 -25.904 28.024 -19.207 1.00 0.00 N ATOM 1345 CA HIS A 84 -25.497 26.675 -18.831 1.00 0.00 C ATOM 1346 C HIS A 84 -24.302 26.744 -17.901 1.00 0.00 C ATOM 1347 O HIS A 84 -23.444 27.617 -18.055 1.00 0.00 O ATOM 1348 CB HIS A 84 -25.105 25.831 -20.047 1.00 0.00 C ATOM 1349 CG HIS A 84 -26.228 25.450 -20.955 1.00 0.00 C ATOM 1350 ND1 HIS A 84 -26.245 24.289 -21.699 1.00 0.00 N ATOM 1351 CD2 HIS A 84 -27.338 26.135 -21.310 1.00 0.00 C ATOM 1352 CE1 HIS A 84 -27.333 24.319 -22.475 1.00 0.00 C ATOM 1353 NE2 HIS A 84 -28.021 25.423 -22.271 1.00 0.00 N ATOM 0 H HIS A 84 -25.146 28.609 -19.558 1.00 0.00 H new ATOM 0 HA HIS A 84 -26.351 26.207 -18.342 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -24.364 26.382 -20.626 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -24.621 24.920 -19.694 1.00 0.00 H new ATOM 0 HD1 HIS A 84 -25.552 23.542 -21.664 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -27.641 27.089 -20.904 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -27.610 23.544 -23.174 1.00 0.00 H new ATOM 1361 N PRO A 85 -24.228 25.836 -16.929 1.00 0.00 N ATOM 1362 CA PRO A 85 -23.077 25.732 -16.043 1.00 0.00 C ATOM 1363 C PRO A 85 -21.892 25.082 -16.750 1.00 0.00 C ATOM 1364 O PRO A 85 -22.038 24.045 -17.400 1.00 0.00 O ATOM 1365 CB PRO A 85 -23.586 24.845 -14.905 1.00 0.00 C ATOM 1366 CG PRO A 85 -24.652 24.005 -15.523 1.00 0.00 C ATOM 1367 CD PRO A 85 -25.266 24.835 -16.619 1.00 0.00 C ATOM 0 HA PRO A 85 -22.717 26.703 -15.702 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -22.785 24.229 -14.495 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -23.980 25.443 -14.084 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -24.235 23.081 -15.923 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -25.401 23.723 -14.784 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -25.509 24.228 -17.491 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -26.192 25.308 -16.291 1.00 0.00 H new ATOM 1375 N LYS A 86 -20.729 25.703 -16.653 1.00 0.00 N ATOM 1376 CA LYS A 86 -19.521 25.121 -17.210 1.00 0.00 C ATOM 1377 C LYS A 86 -18.379 25.240 -16.213 1.00 0.00 C ATOM 1378 O LYS A 86 -18.324 26.183 -15.419 1.00 0.00 O ATOM 1379 CB LYS A 86 -19.145 25.773 -18.549 1.00 0.00 C ATOM 1380 CG LYS A 86 -18.613 27.192 -18.444 1.00 0.00 C ATOM 1381 CD LYS A 86 -18.251 27.736 -19.818 1.00 0.00 C ATOM 1382 CE LYS A 86 -17.513 29.061 -19.733 1.00 0.00 C ATOM 1383 NZ LYS A 86 -16.169 28.907 -19.114 1.00 0.00 N ATOM 0 H LYS A 86 -20.596 26.605 -16.196 1.00 0.00 H new ATOM 0 HA LYS A 86 -19.712 24.066 -17.406 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -18.393 25.154 -19.039 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -20.024 25.777 -19.194 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -19.363 27.833 -17.980 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -17.735 27.209 -17.798 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -17.631 27.009 -20.343 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -19.159 27.865 -20.407 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -17.406 29.482 -20.733 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -18.103 29.769 -19.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -16.125 29.464 -18.237 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -16.000 27.904 -18.896 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -15.441 29.245 -19.776 1.00 0.00 H new ATOM 1397 N LEU A 87 -17.482 24.271 -16.252 1.00 0.00 N ATOM 1398 CA LEU A 87 -16.387 24.199 -15.301 1.00 0.00 C ATOM 1399 C LEU A 87 -15.246 25.121 -15.700 1.00 0.00 C ATOM 1400 O LEU A 87 -14.937 25.272 -16.886 1.00 0.00 O ATOM 1401 CB LEU A 87 -15.879 22.763 -15.204 1.00 0.00 C ATOM 1402 CG LEU A 87 -16.907 21.741 -14.725 1.00 0.00 C ATOM 1403 CD1 LEU A 87 -16.373 20.330 -14.902 1.00 0.00 C ATOM 1404 CD2 LEU A 87 -17.267 21.997 -13.268 1.00 0.00 C ATOM 0 H LEU A 87 -17.491 23.517 -16.939 1.00 0.00 H new ATOM 0 HA LEU A 87 -16.762 24.523 -14.330 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -15.515 22.456 -16.185 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -15.026 22.741 -14.526 1.00 0.00 H new ATOM 0 HG LEU A 87 -17.809 21.845 -15.328 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -17.118 19.613 -14.556 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -16.160 20.151 -15.956 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -15.458 20.212 -14.321 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -18.001 21.261 -12.940 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -16.371 21.916 -12.652 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -17.687 22.998 -13.167 1.00 0.00 H new ATOM 1416 N VAL A 88 -14.640 25.744 -14.704 1.00 0.00 N ATOM 1417 CA VAL A 88 -13.470 26.585 -14.902 1.00 0.00 C ATOM 1418 C VAL A 88 -12.438 26.284 -13.825 1.00 0.00 C ATOM 1419 O VAL A 88 -12.784 25.817 -12.741 1.00 0.00 O ATOM 1420 CB VAL A 88 -13.814 28.094 -14.856 1.00 0.00 C ATOM 1421 CG1 VAL A 88 -14.732 28.481 -16.002 1.00 0.00 C ATOM 1422 CG2 VAL A 88 -14.451 28.466 -13.527 1.00 0.00 C ATOM 0 H VAL A 88 -14.945 25.681 -13.733 1.00 0.00 H new ATOM 0 HA VAL A 88 -13.075 26.360 -15.893 1.00 0.00 H new ATOM 0 HB VAL A 88 -12.881 28.647 -14.961 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -14.957 29.546 -15.944 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -14.241 28.265 -16.951 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -15.658 27.911 -15.935 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -14.683 29.531 -13.520 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -15.369 27.894 -13.391 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -13.759 28.240 -12.716 1.00 0.00 H new ATOM 1432 N VAL A 89 -11.176 26.531 -14.120 1.00 0.00 N ATOM 1433 CA VAL A 89 -10.132 26.352 -13.133 1.00 0.00 C ATOM 1434 C VAL A 89 -9.622 27.707 -12.648 1.00 0.00 C ATOM 1435 O VAL A 89 -9.041 28.482 -13.408 1.00 0.00 O ATOM 1436 CB VAL A 89 -8.973 25.483 -13.676 1.00 0.00 C ATOM 1437 CG1 VAL A 89 -8.412 26.039 -14.980 1.00 0.00 C ATOM 1438 CG2 VAL A 89 -7.878 25.336 -12.625 1.00 0.00 C ATOM 0 H VAL A 89 -10.851 26.855 -15.031 1.00 0.00 H new ATOM 0 HA VAL A 89 -10.562 25.819 -12.285 1.00 0.00 H new ATOM 0 HB VAL A 89 -9.374 24.494 -13.896 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -7.600 25.400 -15.328 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -9.200 26.067 -15.732 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -8.034 27.048 -14.813 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -7.071 24.722 -13.024 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -7.490 26.320 -12.364 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -8.290 24.861 -11.735 1.00 0.00 H new ATOM 1448 N ASN A 90 -9.864 27.995 -11.377 1.00 0.00 N ATOM 1449 CA ASN A 90 -9.478 29.268 -10.790 1.00 0.00 C ATOM 1450 C ASN A 90 -8.633 29.041 -9.547 1.00 0.00 C ATOM 1451 O ASN A 90 -9.152 28.699 -8.483 1.00 0.00 O ATOM 1452 CB ASN A 90 -10.717 30.099 -10.442 1.00 0.00 C ATOM 1453 CG ASN A 90 -11.447 30.613 -11.673 1.00 0.00 C ATOM 1454 OD1 ASN A 90 -10.836 30.882 -12.706 1.00 0.00 O ATOM 1455 ND2 ASN A 90 -12.762 30.758 -11.572 1.00 0.00 N ATOM 0 H ASN A 90 -10.329 27.359 -10.730 1.00 0.00 H new ATOM 0 HA ASN A 90 -8.887 29.818 -11.522 1.00 0.00 H new ATOM 0 HB2 ASN A 90 -11.400 29.493 -9.847 1.00 0.00 H new ATOM 0 HB3 ASN A 90 -10.419 30.945 -9.822 1.00 0.00 H new ATOM 0 HD21 ASN A 90 -13.300 31.103 -12.367 1.00 0.00 H new ATOM 0 HD22 ASN A 90 -13.235 30.525 -10.699 1.00 0.00 H new ATOM 1462 N GLY A 91 -7.330 29.208 -9.697 1.00 0.00 N ATOM 1463 CA GLY A 91 -6.418 29.012 -8.589 1.00 0.00 C ATOM 1464 C GLY A 91 -6.344 27.562 -8.158 1.00 0.00 C ATOM 1465 O GLY A 91 -5.959 26.692 -8.943 1.00 0.00 O ATOM 0 H GLY A 91 -6.883 29.478 -10.573 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -5.424 29.356 -8.874 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -6.737 29.624 -7.745 1.00 0.00 H new ATOM 1469 N ARG A 92 -6.725 27.306 -6.915 1.00 0.00 N ATOM 1470 CA ARG A 92 -6.699 25.974 -6.350 1.00 0.00 C ATOM 1471 C ARG A 92 -8.127 25.414 -6.262 1.00 0.00 C ATOM 1472 O ARG A 92 -8.415 24.475 -5.518 1.00 0.00 O ATOM 1473 CB ARG A 92 -6.030 26.047 -4.972 1.00 0.00 C ATOM 1474 CG ARG A 92 -5.905 24.717 -4.264 1.00 0.00 C ATOM 1475 CD ARG A 92 -5.111 23.704 -5.077 1.00 0.00 C ATOM 1476 NE ARG A 92 -3.696 24.059 -5.193 1.00 0.00 N ATOM 1477 CZ ARG A 92 -2.896 23.613 -6.161 1.00 0.00 C ATOM 1478 NH1 ARG A 92 -3.384 22.840 -7.125 1.00 0.00 N ATOM 1479 NH2 ARG A 92 -1.611 23.939 -6.161 1.00 0.00 N ATOM 0 H ARG A 92 -7.061 28.022 -6.271 1.00 0.00 H new ATOM 0 HA ARG A 92 -6.126 25.297 -6.984 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -5.035 26.478 -5.088 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -6.601 26.728 -4.341 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -5.420 24.865 -3.299 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -6.900 24.319 -4.063 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -5.198 22.722 -4.612 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -5.544 23.624 -6.074 1.00 0.00 H new ATOM 0 HE ARG A 92 -3.299 24.684 -4.492 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -4.372 22.587 -7.125 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -2.771 22.499 -7.865 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -1.235 24.531 -5.420 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -0.998 23.598 -6.902 1.00 0.00 H new ATOM 1493 N SER A 93 -9.026 25.997 -7.034 1.00 0.00 N ATOM 1494 CA SER A 93 -10.404 25.548 -7.041 1.00 0.00 C ATOM 1495 C SER A 93 -10.952 25.459 -8.456 1.00 0.00 C ATOM 1496 O SER A 93 -10.722 26.339 -9.287 1.00 0.00 O ATOM 1497 CB SER A 93 -11.273 26.490 -6.207 1.00 0.00 C ATOM 1498 OG SER A 93 -12.628 26.060 -6.178 1.00 0.00 O ATOM 0 H SER A 93 -8.828 26.777 -7.660 1.00 0.00 H new ATOM 0 HA SER A 93 -10.429 24.550 -6.603 1.00 0.00 H new ATOM 0 HB2 SER A 93 -10.884 26.540 -5.190 1.00 0.00 H new ATOM 0 HB3 SER A 93 -11.219 27.498 -6.619 1.00 0.00 H new ATOM 0 HG SER A 93 -13.157 26.682 -5.636 1.00 0.00 H new ATOM 1504 N ILE A 94 -11.664 24.378 -8.720 1.00 0.00 N ATOM 1505 CA ILE A 94 -12.432 24.250 -9.943 1.00 0.00 C ATOM 1506 C ILE A 94 -13.823 24.810 -9.689 1.00 0.00 C ATOM 1507 O ILE A 94 -14.536 24.339 -8.804 1.00 0.00 O ATOM 1508 CB ILE A 94 -12.525 22.779 -10.412 1.00 0.00 C ATOM 1509 CG1 ILE A 94 -11.119 22.228 -10.668 1.00 0.00 C ATOM 1510 CG2 ILE A 94 -13.384 22.669 -11.668 1.00 0.00 C ATOM 1511 CD1 ILE A 94 -11.080 20.746 -10.972 1.00 0.00 C ATOM 0 H ILE A 94 -11.725 23.572 -8.098 1.00 0.00 H new ATOM 0 HA ILE A 94 -11.932 24.805 -10.737 1.00 0.00 H new ATOM 0 HB ILE A 94 -12.998 22.187 -9.629 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -10.675 22.771 -11.502 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -10.499 22.425 -9.793 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -13.437 21.627 -11.982 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -14.388 23.036 -11.455 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -12.941 23.266 -12.465 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -10.049 20.436 -11.141 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -11.492 20.191 -10.130 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -11.671 20.542 -11.865 1.00 0.00 H new ATOM 1523 N ASP A 95 -14.192 25.832 -10.437 1.00 0.00 N ATOM 1524 CA ASP A 95 -15.422 26.551 -10.173 1.00 0.00 C ATOM 1525 C ASP A 95 -16.411 26.350 -11.303 1.00 0.00 C ATOM 1526 O ASP A 95 -16.107 25.692 -12.299 1.00 0.00 O ATOM 1527 CB ASP A 95 -15.147 28.041 -9.990 1.00 0.00 C ATOM 1528 CG ASP A 95 -15.998 28.638 -8.891 1.00 0.00 C ATOM 1529 OD1 ASP A 95 -17.230 28.747 -9.079 1.00 0.00 O ATOM 1530 OD2 ASP A 95 -15.441 28.984 -7.830 1.00 0.00 O ATOM 0 H ASP A 95 -13.657 26.182 -11.232 1.00 0.00 H new ATOM 0 HA ASP A 95 -15.851 26.155 -9.252 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -14.093 28.190 -9.755 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -15.342 28.564 -10.926 1.00 0.00 H new ATOM 1535 N ILE A 96 -17.590 26.926 -11.143 1.00 0.00 N ATOM 1536 CA ILE A 96 -18.654 26.771 -12.114 1.00 0.00 C ATOM 1537 C ILE A 96 -19.255 28.126 -12.460 1.00 0.00 C ATOM 1538 O ILE A 96 -19.822 28.802 -11.598 1.00 0.00 O ATOM 1539 CB ILE A 96 -19.767 25.849 -11.575 1.00 0.00 C ATOM 1540 CG1 ILE A 96 -19.170 24.524 -11.094 1.00 0.00 C ATOM 1541 CG2 ILE A 96 -20.817 25.602 -12.649 1.00 0.00 C ATOM 1542 CD1 ILE A 96 -20.141 23.667 -10.319 1.00 0.00 C ATOM 0 H ILE A 96 -17.833 27.509 -10.342 1.00 0.00 H new ATOM 0 HA ILE A 96 -18.223 26.320 -13.008 1.00 0.00 H new ATOM 0 HB ILE A 96 -20.248 26.340 -10.729 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -18.812 23.962 -11.957 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -18.303 24.733 -10.467 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -21.596 24.950 -12.253 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -21.258 26.552 -12.952 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -20.350 25.128 -13.512 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -19.647 22.745 -10.011 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -20.480 24.209 -9.436 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -20.997 23.427 -10.949 1.00 0.00 H new ATOM 1554 N GLU A 97 -19.112 28.528 -13.709 1.00 0.00 N ATOM 1555 CA GLU A 97 -19.738 29.748 -14.187 1.00 0.00 C ATOM 1556 C GLU A 97 -20.704 29.422 -15.309 1.00 0.00 C ATOM 1557 O GLU A 97 -20.653 28.340 -15.894 1.00 0.00 O ATOM 1558 CB GLU A 97 -18.701 30.771 -14.661 1.00 0.00 C ATOM 1559 CG GLU A 97 -17.847 30.299 -15.829 1.00 0.00 C ATOM 1560 CD GLU A 97 -17.083 31.435 -16.479 1.00 0.00 C ATOM 1561 OE1 GLU A 97 -16.155 31.976 -15.846 1.00 0.00 O ATOM 1562 OE2 GLU A 97 -17.409 31.791 -17.631 1.00 0.00 O ATOM 0 H GLU A 97 -18.568 28.028 -14.412 1.00 0.00 H new ATOM 0 HA GLU A 97 -20.282 30.195 -13.355 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -19.216 31.687 -14.949 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -18.047 31.022 -13.826 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -17.143 29.544 -15.480 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -18.485 29.821 -16.572 1.00 0.00 H new ATOM 1569 N TYR A 98 -21.579 30.356 -15.602 1.00 0.00 N ATOM 1570 CA TYR A 98 -22.606 30.146 -16.599 1.00 0.00 C ATOM 1571 C TYR A 98 -22.268 30.868 -17.893 1.00 0.00 C ATOM 1572 O TYR A 98 -21.722 31.971 -17.875 1.00 0.00 O ATOM 1573 CB TYR A 98 -23.950 30.628 -16.062 1.00 0.00 C ATOM 1574 CG TYR A 98 -24.645 29.631 -15.162 1.00 0.00 C ATOM 1575 CD1 TYR A 98 -24.235 29.442 -13.849 1.00 0.00 C ATOM 1576 CD2 TYR A 98 -25.721 28.886 -15.627 1.00 0.00 C ATOM 1577 CE1 TYR A 98 -24.874 28.537 -13.025 1.00 0.00 C ATOM 1578 CE2 TYR A 98 -26.370 27.981 -14.807 1.00 0.00 C ATOM 1579 CZ TYR A 98 -25.942 27.810 -13.508 1.00 0.00 C ATOM 1580 OH TYR A 98 -26.587 26.920 -12.683 1.00 0.00 O ATOM 0 H TYR A 98 -21.601 31.276 -15.161 1.00 0.00 H new ATOM 0 HA TYR A 98 -22.664 29.079 -16.815 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -23.798 31.556 -15.510 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -24.604 30.861 -16.903 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -23.402 30.013 -13.466 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -26.056 29.016 -16.645 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -24.539 28.399 -12.007 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -27.207 27.412 -15.182 1.00 0.00 H new ATOM 0 HH TYR A 98 -27.385 26.574 -13.135 1.00 0.00 H new ATOM 1590 N TYR A 99 -22.563 30.226 -19.010 1.00 0.00 N ATOM 1591 CA TYR A 99 -22.429 30.863 -20.309 1.00 0.00 C ATOM 1592 C TYR A 99 -23.791 30.939 -20.976 1.00 0.00 C ATOM 1593 O TYR A 99 -24.639 30.064 -20.761 1.00 0.00 O ATOM 1594 CB TYR A 99 -21.427 30.116 -21.206 1.00 0.00 C ATOM 1595 CG TYR A 99 -21.829 28.701 -21.583 1.00 0.00 C ATOM 1596 CD1 TYR A 99 -21.459 27.618 -20.794 1.00 0.00 C ATOM 1597 CD2 TYR A 99 -22.564 28.448 -22.737 1.00 0.00 C ATOM 1598 CE1 TYR A 99 -21.808 26.328 -21.143 1.00 0.00 C ATOM 1599 CE2 TYR A 99 -22.920 27.161 -23.089 1.00 0.00 C ATOM 1600 CZ TYR A 99 -22.539 26.105 -22.288 1.00 0.00 C ATOM 1601 OH TYR A 99 -22.893 24.822 -22.634 1.00 0.00 O ATOM 0 H TYR A 99 -22.897 29.263 -19.044 1.00 0.00 H new ATOM 0 HA TYR A 99 -22.040 31.870 -20.161 1.00 0.00 H new ATOM 0 HB2 TYR A 99 -21.283 30.692 -22.120 1.00 0.00 H new ATOM 0 HB3 TYR A 99 -20.464 30.080 -20.697 1.00 0.00 H new ATOM 0 HD1 TYR A 99 -20.889 27.788 -19.893 1.00 0.00 H new ATOM 0 HD2 TYR A 99 -22.861 29.272 -23.368 1.00 0.00 H new ATOM 0 HE1 TYR A 99 -21.509 25.498 -20.520 1.00 0.00 H new ATOM 0 HE2 TYR A 99 -23.494 26.982 -23.987 1.00 0.00 H new ATOM 0 HH TYR A 99 -23.820 24.654 -22.364 1.00 0.00 H new ATOM 1611 N GLU A 100 -24.011 31.983 -21.762 1.00 0.00 N ATOM 1612 CA GLU A 100 -25.283 32.151 -22.443 1.00 0.00 C ATOM 1613 C GLU A 100 -25.521 31.004 -23.411 1.00 0.00 C ATOM 1614 O GLU A 100 -24.670 30.706 -24.250 1.00 0.00 O ATOM 1615 CB GLU A 100 -25.345 33.482 -23.196 1.00 0.00 C ATOM 1616 CG GLU A 100 -25.225 34.702 -22.300 1.00 0.00 C ATOM 1617 CD GLU A 100 -25.654 35.975 -22.998 1.00 0.00 C ATOM 1618 OE1 GLU A 100 -26.859 36.301 -22.956 1.00 0.00 O ATOM 1619 OE2 GLU A 100 -24.794 36.659 -23.591 1.00 0.00 O ATOM 0 H GLU A 100 -23.330 32.721 -21.942 1.00 0.00 H new ATOM 0 HA GLU A 100 -26.064 32.152 -21.683 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -24.545 33.507 -23.936 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -26.287 33.536 -23.742 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -25.835 34.556 -21.409 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -24.192 34.804 -21.966 1.00 0.00 H new ATOM 1626 N CYS A 101 -26.668 30.350 -23.260 1.00 0.00 N ATOM 1627 CA CYS A 101 -27.089 29.293 -24.174 1.00 0.00 C ATOM 1628 C CYS A 101 -26.913 29.746 -25.623 1.00 0.00 C ATOM 1629 O CYS A 101 -27.305 30.856 -25.975 1.00 0.00 O ATOM 1630 CB CYS A 101 -28.562 28.950 -23.918 1.00 0.00 C ATOM 1631 SG CYS A 101 -29.192 27.503 -24.829 1.00 0.00 S ATOM 0 H CYS A 101 -27.329 30.536 -22.505 1.00 0.00 H new ATOM 0 HA CYS A 101 -26.473 28.410 -24.002 1.00 0.00 H new ATOM 0 HB2 CYS A 101 -28.697 28.774 -22.851 1.00 0.00 H new ATOM 0 HB3 CYS A 101 -29.171 29.816 -24.178 1.00 0.00 H new ATOM 0 HG CYS A 101 -28.934 26.421 -24.157 1.00 0.00 H new ATOM 1636 N PRO A 102 -26.308 28.908 -26.476 1.00 0.00 N ATOM 1637 CA PRO A 102 -26.125 29.225 -27.900 1.00 0.00 C ATOM 1638 C PRO A 102 -27.449 29.557 -28.590 1.00 0.00 C ATOM 1639 O PRO A 102 -27.491 30.337 -29.540 1.00 0.00 O ATOM 1640 CB PRO A 102 -25.513 27.944 -28.488 1.00 0.00 C ATOM 1641 CG PRO A 102 -25.698 26.891 -27.446 1.00 0.00 C ATOM 1642 CD PRO A 102 -25.727 27.604 -26.128 1.00 0.00 C ATOM 0 HA PRO A 102 -25.499 30.106 -28.043 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -26.008 27.665 -29.418 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -24.457 28.085 -28.719 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -26.624 26.340 -27.610 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -24.885 26.165 -27.478 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -26.334 27.074 -25.394 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -24.729 27.707 -25.702 1.00 0.00 H new ATOM 1650 N VAL A 103 -28.526 28.966 -28.085 1.00 0.00 N ATOM 1651 CA VAL A 103 -29.869 29.211 -28.605 1.00 0.00 C ATOM 1652 C VAL A 103 -30.425 30.524 -28.048 1.00 0.00 C ATOM 1653 O VAL A 103 -31.373 31.096 -28.582 1.00 0.00 O ATOM 1654 CB VAL A 103 -30.823 28.055 -28.227 1.00 0.00 C ATOM 1655 CG1 VAL A 103 -32.104 28.104 -29.046 1.00 0.00 C ATOM 1656 CG2 VAL A 103 -30.130 26.710 -28.389 1.00 0.00 C ATOM 0 H VAL A 103 -28.495 28.307 -27.307 1.00 0.00 H new ATOM 0 HA VAL A 103 -29.800 29.276 -29.691 1.00 0.00 H new ATOM 0 HB VAL A 103 -31.095 28.177 -27.179 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -32.753 27.278 -28.756 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -32.616 29.049 -28.864 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -31.862 28.021 -30.105 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -30.819 25.910 -28.118 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -29.818 26.584 -29.426 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -29.255 26.671 -27.740 1.00 0.00 H new ATOM 1666 N LYS A 104 -29.816 30.995 -26.968 1.00 0.00 N ATOM 1667 CA LYS A 104 -30.246 32.224 -26.311 1.00 0.00 C ATOM 1668 C LYS A 104 -29.665 33.425 -27.047 1.00 0.00 C ATOM 1669 O LYS A 104 -30.304 34.476 -27.151 1.00 0.00 O ATOM 1670 CB LYS A 104 -29.811 32.204 -24.832 1.00 0.00 C ATOM 1671 CG LYS A 104 -30.425 33.294 -23.960 1.00 0.00 C ATOM 1672 CD LYS A 104 -29.662 34.605 -24.065 1.00 0.00 C ATOM 1673 CE LYS A 104 -30.235 35.661 -23.137 1.00 0.00 C ATOM 1674 NZ LYS A 104 -29.447 36.922 -23.181 1.00 0.00 N ATOM 0 H LYS A 104 -29.017 30.541 -26.525 1.00 0.00 H new ATOM 0 HA LYS A 104 -31.333 32.301 -26.340 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -30.068 31.234 -24.407 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -28.726 32.294 -24.788 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -31.462 33.453 -24.256 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -30.437 32.964 -22.921 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -28.613 34.437 -23.822 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -29.697 34.966 -25.093 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -31.268 35.868 -23.416 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -30.251 35.278 -22.117 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -29.926 37.650 -22.614 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -28.497 36.751 -22.795 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -29.367 37.247 -24.166 1.00 0.00 H new