USER MOD reduce.3.24.130724 H: found=0, std=0, add=831, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 832 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 44 HIS : no HD1:sc= -1.72! X(o=-3!,f=-2.7) USER MOD Set 1.2: A 53 CYS SG : rot 70:sc= -0.808 USER MOD Set 1.3: A 60 MET CE :methyl -174:sc= -0.428 (180deg=-0.547) USER MOD Single : A 25 SER OG : rot 180:sc= -0.105 USER MOD Single : A 28 GLN : amide:sc= -0.735 K(o=-0.73,f=-1.7!) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ -167:sc= -0.0167 (180deg=-0.178) USER MOD Single : A 39 SER OG : rot -133:sc= 0.0351 USER MOD Single : A 52 GLN : amide:sc= -0.983 K(o=-0.98,f=-2.1!) USER MOD Single : A 55 GLN : amide:sc= -0.567 X(o=-0.57,f=-0.098) USER MOD Single : A 56 MET CE :methyl -121:sc= -2.31 (180deg=-7.79!) USER MOD Single : A 57 ASN : amide:sc= -0.162 K(o=-0.16,f=-1) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 GLN : amide:sc= 0.0172 K(o=0.017,f=-1.1) USER MOD Single : A 71 SER OG : rot -110:sc= -0.0155 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 SER OG : rot 85:sc= 0.589 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 TYR OH : rot 180:sc= -0.0251 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 30:sc= 0.602 USER MOD Single : A 94 THR OG1 : rot 101:sc= 0.963 USER MOD Single : A 99 LYS NZ :NH3+ 166:sc=-0.00291 (180deg=-0.0777) USER MOD Single : A 100 ASN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 101 SER OG : rot -47:sc= 0.584 USER MOD Single : A 102 GLN : amide:sc= -1.68 X(o=-1.7,f=-1.9!) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 HIS :FLIP no HD1:sc= -1.74 F(o=-2.3,f=-1.7) USER MOD Single : A 116 THR OG1 : rot 180:sc= 0 USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 LYS NZ :NH3+ -152:sc= -1.38 (180deg=-1.86) USER MOD Single : A 120 GLN : amide:sc= -2.96! C(o=-3!,f=-8.5!) USER MOD Single : A 122 HIS : no HE2:sc= -0.513 K(o=-0.51,f=-1.3) USER MOD ----------------------------------------------------------------- ATOM 201 N VAL A 20 -1.563 2.161 -9.116 1.00 0.00 N ATOM 202 CA VAL A 20 -2.740 2.589 -8.370 1.00 0.00 C ATOM 203 C VAL A 20 -3.876 2.974 -9.309 1.00 0.00 C ATOM 204 O VAL A 20 -3.866 4.053 -9.902 1.00 0.00 O ATOM 205 CB VAL A 20 -2.418 3.784 -7.453 1.00 0.00 C ATOM 206 CG1 VAL A 20 -3.675 4.266 -6.744 1.00 0.00 C ATOM 207 CG2 VAL A 20 -1.340 3.410 -6.448 1.00 0.00 C ATOM 0 HA VAL A 20 -3.051 1.743 -7.757 1.00 0.00 H new ATOM 0 HB VAL A 20 -2.040 4.600 -8.069 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -3.429 5.111 -6.100 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -4.413 4.576 -7.483 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -4.085 3.457 -6.140 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -1.126 4.266 -5.809 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -1.687 2.578 -5.835 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -0.434 3.117 -6.978 1.00 0.00 H new ATOM 217 N GLU A 21 -4.856 2.085 -9.440 1.00 0.00 N ATOM 218 CA GLU A 21 -6.001 2.333 -10.309 1.00 0.00 C ATOM 219 C GLU A 21 -6.969 3.321 -9.664 1.00 0.00 C ATOM 220 O GLU A 21 -7.150 3.323 -8.447 1.00 0.00 O ATOM 221 CB GLU A 21 -6.725 1.022 -10.621 1.00 0.00 C ATOM 222 CG GLU A 21 -6.198 0.316 -11.859 1.00 0.00 C ATOM 223 CD GLU A 21 -6.710 0.933 -13.146 1.00 0.00 C ATOM 224 OE1 GLU A 21 -7.840 1.465 -13.139 1.00 0.00 O ATOM 225 OE2 GLU A 21 -5.982 0.884 -14.159 1.00 0.00 O ATOM 0 H GLU A 21 -4.880 1.187 -8.956 1.00 0.00 H new ATOM 0 HA GLU A 21 -5.633 2.766 -11.239 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -6.633 0.353 -9.765 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -7.787 1.226 -10.754 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -5.108 0.347 -11.854 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -6.487 -0.734 -11.824 1.00 0.00 H new ATOM 232 N GLU A 22 -7.587 4.159 -10.490 1.00 0.00 N ATOM 233 CA GLU A 22 -8.536 5.153 -10.001 1.00 0.00 C ATOM 234 C GLU A 22 -9.969 4.642 -10.119 1.00 0.00 C ATOM 235 O GLU A 22 -10.505 4.513 -11.220 1.00 0.00 O ATOM 236 CB GLU A 22 -8.383 6.462 -10.777 1.00 0.00 C ATOM 237 CG GLU A 22 -8.445 6.286 -12.285 1.00 0.00 C ATOM 238 CD GLU A 22 -8.255 7.591 -13.033 1.00 0.00 C ATOM 239 OE1 GLU A 22 -7.093 8.011 -13.210 1.00 0.00 O ATOM 240 OE2 GLU A 22 -9.271 8.193 -13.442 1.00 0.00 O ATOM 0 H GLU A 22 -7.448 4.170 -11.500 1.00 0.00 H new ATOM 0 HA GLU A 22 -8.320 5.337 -8.948 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -9.168 7.152 -10.468 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -7.431 6.923 -10.512 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -7.677 5.578 -12.596 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -9.407 5.852 -12.557 1.00 0.00 H new ATOM 247 N VAL A 23 -10.584 4.352 -8.977 1.00 0.00 N ATOM 248 CA VAL A 23 -11.955 3.855 -8.952 1.00 0.00 C ATOM 249 C VAL A 23 -12.955 5.005 -8.900 1.00 0.00 C ATOM 250 O VAL A 23 -13.169 5.608 -7.849 1.00 0.00 O ATOM 251 CB VAL A 23 -12.193 2.926 -7.747 1.00 0.00 C ATOM 252 CG1 VAL A 23 -13.645 2.476 -7.698 1.00 0.00 C ATOM 253 CG2 VAL A 23 -11.257 1.729 -7.804 1.00 0.00 C ATOM 0 H VAL A 23 -10.155 4.453 -8.057 1.00 0.00 H new ATOM 0 HA VAL A 23 -12.104 3.289 -9.872 1.00 0.00 H new ATOM 0 HB VAL A 23 -11.979 3.482 -6.834 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -13.794 1.820 -6.840 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -14.293 3.348 -7.606 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -13.890 1.937 -8.613 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -11.439 1.083 -6.945 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -11.437 1.170 -8.722 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -10.223 2.074 -7.786 1.00 0.00 H new ATOM 263 N GLY A 24 -13.566 5.304 -10.042 1.00 0.00 N ATOM 264 CA GLY A 24 -14.536 6.380 -10.105 1.00 0.00 C ATOM 265 C GLY A 24 -15.962 5.871 -10.194 1.00 0.00 C ATOM 266 O GLY A 24 -16.818 6.507 -10.809 1.00 0.00 O ATOM 0 H GLY A 24 -13.406 4.819 -10.925 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -14.433 7.010 -9.222 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -14.323 7.007 -10.971 1.00 0.00 H new ATOM 270 N SER A 25 -16.217 4.720 -9.580 1.00 0.00 N ATOM 271 CA SER A 25 -17.547 4.123 -9.597 1.00 0.00 C ATOM 272 C SER A 25 -17.622 2.937 -8.641 1.00 0.00 C ATOM 273 O SER A 25 -16.701 2.124 -8.569 1.00 0.00 O ATOM 274 CB SER A 25 -17.910 3.675 -11.014 1.00 0.00 C ATOM 275 OG SER A 25 -16.926 2.801 -11.540 1.00 0.00 O ATOM 0 H SER A 25 -15.520 4.182 -9.065 1.00 0.00 H new ATOM 0 HA SER A 25 -18.262 4.878 -9.268 1.00 0.00 H new ATOM 0 HB2 SER A 25 -18.878 3.174 -11.004 1.00 0.00 H new ATOM 0 HB3 SER A 25 -18.009 4.547 -11.660 1.00 0.00 H new ATOM 0 HG SER A 25 -17.182 2.528 -12.446 1.00 0.00 H new ATOM 281 N ALA A 26 -18.727 2.845 -7.908 1.00 0.00 N ATOM 282 CA ALA A 26 -18.925 1.757 -6.958 1.00 0.00 C ATOM 283 C ALA A 26 -18.848 0.401 -7.651 1.00 0.00 C ATOM 284 O ALA A 26 -18.272 -0.547 -7.120 1.00 0.00 O ATOM 285 CB ALA A 26 -20.261 1.914 -6.247 1.00 0.00 C ATOM 0 H ALA A 26 -19.498 3.511 -7.954 1.00 0.00 H new ATOM 0 HA ALA A 26 -18.125 1.803 -6.219 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -20.396 1.095 -5.541 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -20.278 2.863 -5.710 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -21.067 1.897 -6.980 1.00 0.00 H new ATOM 291 N GLY A 27 -19.434 0.316 -8.842 1.00 0.00 N ATOM 292 CA GLY A 27 -19.422 -0.928 -9.588 1.00 0.00 C ATOM 293 C GLY A 27 -18.018 -1.449 -9.823 1.00 0.00 C ATOM 294 O GLY A 27 -17.746 -2.632 -9.620 1.00 0.00 O ATOM 0 H GLY A 27 -19.917 1.087 -9.303 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -19.999 -1.678 -9.047 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -19.916 -0.777 -10.548 1.00 0.00 H new ATOM 298 N GLN A 28 -17.125 -0.564 -10.253 1.00 0.00 N ATOM 299 CA GLN A 28 -15.742 -0.942 -10.519 1.00 0.00 C ATOM 300 C GLN A 28 -15.111 -1.596 -9.293 1.00 0.00 C ATOM 301 O GLN A 28 -14.515 -2.669 -9.387 1.00 0.00 O ATOM 302 CB GLN A 28 -14.926 0.284 -10.934 1.00 0.00 C ATOM 303 CG GLN A 28 -13.533 -0.055 -11.440 1.00 0.00 C ATOM 304 CD GLN A 28 -12.876 1.104 -12.162 1.00 0.00 C ATOM 305 OE1 GLN A 28 -12.949 2.250 -11.717 1.00 0.00 O ATOM 306 NE2 GLN A 28 -12.230 0.813 -13.285 1.00 0.00 N ATOM 0 H GLN A 28 -17.334 0.419 -10.425 1.00 0.00 H new ATOM 0 HA GLN A 28 -15.740 -1.664 -11.335 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -15.465 0.822 -11.713 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -14.840 0.958 -10.082 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -12.908 -0.355 -10.599 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -13.593 -0.910 -12.113 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -12.194 -0.151 -13.618 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -11.769 1.553 -13.815 1.00 0.00 H new ATOM 315 N PHE A 29 -15.246 -0.941 -8.145 1.00 0.00 N ATOM 316 CA PHE A 29 -14.689 -1.458 -6.900 1.00 0.00 C ATOM 317 C PHE A 29 -15.279 -2.825 -6.566 1.00 0.00 C ATOM 318 O PHE A 29 -14.565 -3.825 -6.514 1.00 0.00 O ATOM 319 CB PHE A 29 -14.953 -0.481 -5.753 1.00 0.00 C ATOM 320 CG PHE A 29 -14.667 -1.057 -4.396 1.00 0.00 C ATOM 321 CD1 PHE A 29 -13.388 -1.472 -4.061 1.00 0.00 C ATOM 322 CD2 PHE A 29 -15.676 -1.185 -3.456 1.00 0.00 C ATOM 323 CE1 PHE A 29 -13.121 -2.002 -2.813 1.00 0.00 C ATOM 324 CE2 PHE A 29 -15.415 -1.715 -2.206 1.00 0.00 C ATOM 325 CZ PHE A 29 -14.136 -2.125 -1.885 1.00 0.00 C ATOM 0 H PHE A 29 -15.736 -0.051 -8.051 1.00 0.00 H new ATOM 0 HA PHE A 29 -13.613 -1.569 -7.032 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -14.341 0.409 -5.897 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -15.994 -0.162 -5.791 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -12.591 -1.380 -4.784 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -16.678 -0.867 -3.702 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -12.119 -2.320 -2.564 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -16.210 -1.808 -1.481 1.00 0.00 H new ATOM 0 HZ PHE A 29 -13.930 -2.541 -0.910 1.00 0.00 H new ATOM 335 N GLU A 30 -16.589 -2.857 -6.339 1.00 0.00 N ATOM 336 CA GLU A 30 -17.276 -4.100 -6.008 1.00 0.00 C ATOM 337 C GLU A 30 -16.885 -5.212 -6.977 1.00 0.00 C ATOM 338 O GLU A 30 -16.718 -6.365 -6.580 1.00 0.00 O ATOM 339 CB GLU A 30 -18.792 -3.894 -6.035 1.00 0.00 C ATOM 340 CG GLU A 30 -19.329 -3.168 -4.813 1.00 0.00 C ATOM 341 CD GLU A 30 -20.823 -3.358 -4.632 1.00 0.00 C ATOM 342 OE1 GLU A 30 -21.230 -4.444 -4.170 1.00 0.00 O ATOM 343 OE2 GLU A 30 -21.583 -2.421 -4.952 1.00 0.00 O ATOM 0 H GLU A 30 -17.195 -2.037 -6.378 1.00 0.00 H new ATOM 0 HA GLU A 30 -16.975 -4.395 -5.003 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -19.058 -3.329 -6.929 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -19.281 -4.865 -6.114 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -18.810 -3.527 -3.924 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -19.110 -2.104 -4.901 1.00 0.00 H new ATOM 350 N GLU A 31 -16.742 -4.857 -8.250 1.00 0.00 N ATOM 351 CA GLU A 31 -16.372 -5.825 -9.276 1.00 0.00 C ATOM 352 C GLU A 31 -14.944 -6.320 -9.068 1.00 0.00 C ATOM 353 O GLU A 31 -14.643 -7.494 -9.286 1.00 0.00 O ATOM 354 CB GLU A 31 -16.512 -5.205 -10.668 1.00 0.00 C ATOM 355 CG GLU A 31 -16.720 -6.228 -11.772 1.00 0.00 C ATOM 356 CD GLU A 31 -16.853 -5.590 -13.141 1.00 0.00 C ATOM 357 OE1 GLU A 31 -17.804 -4.806 -13.340 1.00 0.00 O ATOM 358 OE2 GLU A 31 -16.005 -5.874 -14.013 1.00 0.00 O ATOM 0 H GLU A 31 -16.877 -3.907 -8.595 1.00 0.00 H new ATOM 0 HA GLU A 31 -17.048 -6.677 -9.196 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -17.352 -4.511 -10.664 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -15.618 -4.622 -10.888 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -15.881 -6.924 -11.780 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -17.616 -6.811 -11.558 1.00 0.00 H new ATOM 365 N LEU A 32 -14.067 -5.415 -8.647 1.00 0.00 N ATOM 366 CA LEU A 32 -12.669 -5.758 -8.409 1.00 0.00 C ATOM 367 C LEU A 32 -12.526 -6.640 -7.173 1.00 0.00 C ATOM 368 O LEU A 32 -11.696 -7.549 -7.138 1.00 0.00 O ATOM 369 CB LEU A 32 -11.833 -4.488 -8.242 1.00 0.00 C ATOM 370 CG LEU A 32 -10.323 -4.650 -8.416 1.00 0.00 C ATOM 371 CD1 LEU A 32 -9.931 -4.474 -9.875 1.00 0.00 C ATOM 372 CD2 LEU A 32 -9.575 -3.658 -7.538 1.00 0.00 C ATOM 0 H LEU A 32 -14.299 -4.439 -8.464 1.00 0.00 H new ATOM 0 HA LEU A 32 -12.306 -6.314 -9.273 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -12.184 -3.749 -8.962 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -12.022 -4.081 -7.249 1.00 0.00 H new ATOM 0 HG LEU A 32 -10.048 -5.658 -8.106 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -8.852 -4.593 -9.979 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -10.439 -5.224 -10.481 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -10.220 -3.479 -10.212 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -8.502 -3.788 -7.675 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -9.856 -2.642 -7.816 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -9.831 -3.832 -6.493 1.00 0.00 H new ATOM 384 N LEU A 33 -13.343 -6.368 -6.162 1.00 0.00 N ATOM 385 CA LEU A 33 -13.311 -7.139 -4.923 1.00 0.00 C ATOM 386 C LEU A 33 -13.106 -8.623 -5.211 1.00 0.00 C ATOM 387 O LEU A 33 -12.311 -9.290 -4.548 1.00 0.00 O ATOM 388 CB LEU A 33 -14.607 -6.934 -4.138 1.00 0.00 C ATOM 389 CG LEU A 33 -14.615 -5.767 -3.149 1.00 0.00 C ATOM 390 CD1 LEU A 33 -16.020 -5.529 -2.617 1.00 0.00 C ATOM 391 CD2 LEU A 33 -13.647 -6.030 -2.005 1.00 0.00 C ATOM 0 H LEU A 33 -14.036 -5.620 -6.175 1.00 0.00 H new ATOM 0 HA LEU A 33 -12.472 -6.785 -4.325 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -15.420 -6.787 -4.849 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -14.825 -7.850 -3.590 1.00 0.00 H new ATOM 0 HG LEU A 33 -14.290 -4.869 -3.674 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -16.007 -4.695 -1.915 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -16.688 -5.295 -3.446 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -16.373 -6.426 -2.108 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -13.666 -5.189 -1.312 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -13.941 -6.939 -1.481 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -12.639 -6.150 -2.402 1.00 0.00 H new ATOM 403 N ARG A 34 -13.827 -9.133 -6.204 1.00 0.00 N ATOM 404 CA ARG A 34 -13.724 -10.538 -6.579 1.00 0.00 C ATOM 405 C ARG A 34 -12.445 -10.796 -7.371 1.00 0.00 C ATOM 406 O ARG A 34 -11.809 -11.840 -7.219 1.00 0.00 O ATOM 407 CB ARG A 34 -14.942 -10.957 -7.405 1.00 0.00 C ATOM 408 CG ARG A 34 -14.775 -10.724 -8.898 1.00 0.00 C ATOM 409 CD ARG A 34 -16.117 -10.525 -9.584 1.00 0.00 C ATOM 410 NE ARG A 34 -15.969 -10.284 -11.017 1.00 0.00 N ATOM 411 CZ ARG A 34 -16.924 -10.533 -11.906 1.00 0.00 C ATOM 412 NH1 ARG A 34 -18.090 -11.026 -11.512 1.00 0.00 N ATOM 413 NH2 ARG A 34 -16.714 -10.287 -13.193 1.00 0.00 N ATOM 0 H ARG A 34 -14.489 -8.594 -6.763 1.00 0.00 H new ATOM 0 HA ARG A 34 -13.691 -11.132 -5.665 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -15.142 -12.014 -7.231 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -15.815 -10.406 -7.055 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -14.147 -9.848 -9.063 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -14.259 -11.574 -9.345 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -16.739 -11.407 -9.427 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -16.637 -9.683 -9.127 1.00 0.00 H new ATOM 0 HE ARG A 34 -15.084 -9.904 -11.353 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -18.256 -11.215 -10.524 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -18.821 -11.216 -12.197 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -15.819 -9.907 -13.500 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -17.448 -10.478 -13.875 1.00 0.00 H new ATOM 427 N LEU A 35 -12.075 -9.840 -8.216 1.00 0.00 N ATOM 428 CA LEU A 35 -10.873 -9.964 -9.032 1.00 0.00 C ATOM 429 C LEU A 35 -9.629 -10.076 -8.156 1.00 0.00 C ATOM 430 O LEU A 35 -8.845 -11.016 -8.289 1.00 0.00 O ATOM 431 CB LEU A 35 -10.743 -8.763 -9.970 1.00 0.00 C ATOM 432 CG LEU A 35 -11.619 -8.792 -11.223 1.00 0.00 C ATOM 433 CD1 LEU A 35 -11.644 -7.425 -11.889 1.00 0.00 C ATOM 434 CD2 LEU A 35 -11.123 -9.851 -12.196 1.00 0.00 C ATOM 0 H LEU A 35 -12.590 -8.971 -8.354 1.00 0.00 H new ATOM 0 HA LEU A 35 -10.960 -10.874 -9.626 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -10.979 -7.860 -9.407 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -9.701 -8.681 -10.281 1.00 0.00 H new ATOM 0 HG LEU A 35 -12.636 -9.047 -10.926 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -12.272 -7.465 -12.779 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -12.047 -6.689 -11.193 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -10.631 -7.140 -12.173 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -11.758 -9.857 -13.082 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -10.097 -9.626 -12.487 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -11.158 -10.830 -11.717 1.00 0.00 H new ATOM 446 N LYS A 36 -9.455 -9.112 -7.258 1.00 0.00 N ATOM 447 CA LYS A 36 -8.309 -9.103 -6.357 1.00 0.00 C ATOM 448 C LYS A 36 -8.690 -9.658 -4.988 1.00 0.00 C ATOM 449 O LYS A 36 -8.249 -9.149 -3.957 1.00 0.00 O ATOM 450 CB LYS A 36 -7.762 -7.682 -6.209 1.00 0.00 C ATOM 451 CG LYS A 36 -7.379 -7.037 -7.529 1.00 0.00 C ATOM 452 CD LYS A 36 -6.143 -7.685 -8.129 1.00 0.00 C ATOM 453 CE LYS A 36 -5.790 -7.072 -9.476 1.00 0.00 C ATOM 454 NZ LYS A 36 -4.891 -7.955 -10.269 1.00 0.00 N ATOM 0 H LYS A 36 -10.094 -8.326 -7.135 1.00 0.00 H new ATOM 0 HA LYS A 36 -7.536 -9.740 -6.786 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -8.511 -7.063 -5.716 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -6.888 -7.704 -5.558 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -8.210 -7.119 -8.230 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -7.195 -5.974 -7.375 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -5.302 -7.571 -7.445 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -6.314 -8.755 -8.248 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -6.704 -6.884 -10.040 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -5.307 -6.107 -9.321 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -4.674 -7.502 -11.180 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -4.008 -8.114 -9.743 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -5.362 -8.866 -10.440 1.00 0.00 H new ATOM 468 N ALA A 37 -9.509 -10.705 -4.985 1.00 0.00 N ATOM 469 CA ALA A 37 -9.945 -11.330 -3.743 1.00 0.00 C ATOM 470 C ALA A 37 -8.830 -12.171 -3.131 1.00 0.00 C ATOM 471 O ALA A 37 -8.401 -11.927 -2.003 1.00 0.00 O ATOM 472 CB ALA A 37 -11.180 -12.185 -3.988 1.00 0.00 C ATOM 0 H ALA A 37 -9.884 -11.138 -5.829 1.00 0.00 H new ATOM 0 HA ALA A 37 -10.198 -10.540 -3.036 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -11.495 -12.646 -3.052 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -11.985 -11.559 -4.373 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -10.946 -12.963 -4.715 1.00 0.00 H new ATOM 478 N LYS A 38 -8.364 -13.164 -3.881 1.00 0.00 N ATOM 479 CA LYS A 38 -7.298 -14.042 -3.413 1.00 0.00 C ATOM 480 C LYS A 38 -6.137 -13.233 -2.844 1.00 0.00 C ATOM 481 O LYS A 38 -5.554 -13.600 -1.823 1.00 0.00 O ATOM 482 CB LYS A 38 -6.802 -14.930 -4.557 1.00 0.00 C ATOM 483 CG LYS A 38 -7.595 -16.215 -4.718 1.00 0.00 C ATOM 484 CD LYS A 38 -6.849 -17.228 -5.570 1.00 0.00 C ATOM 485 CE LYS A 38 -7.632 -18.525 -5.707 1.00 0.00 C ATOM 486 NZ LYS A 38 -7.779 -19.224 -4.401 1.00 0.00 N ATOM 0 H LYS A 38 -8.708 -13.381 -4.816 1.00 0.00 H new ATOM 0 HA LYS A 38 -7.702 -14.672 -2.620 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -6.847 -14.366 -5.489 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -5.755 -15.179 -4.385 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -7.798 -16.643 -3.737 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -8.559 -15.994 -5.175 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -6.664 -16.808 -6.558 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -5.876 -17.434 -5.124 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -8.619 -18.312 -6.118 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -7.127 -19.181 -6.415 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -8.117 -20.194 -4.563 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -6.858 -19.254 -3.918 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -8.464 -18.713 -3.809 1.00 0.00 H new ATOM 500 N SER A 39 -5.808 -12.130 -3.508 1.00 0.00 N ATOM 501 CA SER A 39 -4.715 -11.270 -3.069 1.00 0.00 C ATOM 502 C SER A 39 -5.207 -10.242 -2.054 1.00 0.00 C ATOM 503 O SER A 39 -6.391 -10.204 -1.715 1.00 0.00 O ATOM 504 CB SER A 39 -4.085 -10.558 -4.267 1.00 0.00 C ATOM 505 OG SER A 39 -3.309 -11.455 -5.043 1.00 0.00 O ATOM 0 H SER A 39 -6.283 -11.810 -4.352 1.00 0.00 H new ATOM 0 HA SER A 39 -3.962 -11.897 -2.591 1.00 0.00 H new ATOM 0 HB2 SER A 39 -4.868 -10.120 -4.886 1.00 0.00 H new ATOM 0 HB3 SER A 39 -3.458 -9.738 -3.918 1.00 0.00 H new ATOM 0 HG SER A 39 -2.440 -11.048 -5.242 1.00 0.00 H new ATOM 511 N LEU A 40 -4.291 -9.410 -1.572 1.00 0.00 N ATOM 512 CA LEU A 40 -4.629 -8.381 -0.595 1.00 0.00 C ATOM 513 C LEU A 40 -4.964 -7.063 -1.287 1.00 0.00 C ATOM 514 O LEU A 40 -4.113 -6.458 -1.940 1.00 0.00 O ATOM 515 CB LEU A 40 -3.471 -8.177 0.382 1.00 0.00 C ATOM 516 CG LEU A 40 -3.539 -6.921 1.252 1.00 0.00 C ATOM 517 CD1 LEU A 40 -4.729 -6.990 2.197 1.00 0.00 C ATOM 518 CD2 LEU A 40 -2.245 -6.741 2.032 1.00 0.00 C ATOM 0 H LEU A 40 -3.308 -9.428 -1.842 1.00 0.00 H new ATOM 0 HA LEU A 40 -5.507 -8.714 -0.042 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -3.418 -9.046 1.038 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -2.542 -8.150 -0.188 1.00 0.00 H new ATOM 0 HG LEU A 40 -3.669 -6.057 0.600 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -4.761 -6.088 2.808 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -5.649 -7.069 1.618 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -4.631 -7.862 2.843 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -2.312 -5.842 2.645 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -2.084 -7.607 2.674 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -1.411 -6.644 1.336 1.00 0.00 H new ATOM 530 N LEU A 41 -6.209 -6.623 -1.138 1.00 0.00 N ATOM 531 CA LEU A 41 -6.657 -5.375 -1.746 1.00 0.00 C ATOM 532 C LEU A 41 -6.545 -4.217 -0.759 1.00 0.00 C ATOM 533 O LEU A 41 -6.657 -4.407 0.453 1.00 0.00 O ATOM 534 CB LEU A 41 -8.102 -5.510 -2.229 1.00 0.00 C ATOM 535 CG LEU A 41 -8.573 -4.461 -3.237 1.00 0.00 C ATOM 536 CD1 LEU A 41 -8.076 -4.801 -4.634 1.00 0.00 C ATOM 537 CD2 LEU A 41 -10.091 -4.350 -3.221 1.00 0.00 C ATOM 0 H LEU A 41 -6.926 -7.112 -0.602 1.00 0.00 H new ATOM 0 HA LEU A 41 -6.013 -5.164 -2.600 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -8.224 -6.496 -2.677 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -8.760 -5.471 -1.361 1.00 0.00 H new ATOM 0 HG LEU A 41 -8.155 -3.496 -2.950 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -8.421 -4.043 -5.337 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -6.986 -4.828 -4.636 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -8.464 -5.775 -4.931 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -10.409 -3.599 -3.944 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -10.529 -5.313 -3.482 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -10.424 -4.058 -2.225 1.00 0.00 H new ATOM 549 N VAL A 42 -6.326 -3.016 -1.285 1.00 0.00 N ATOM 550 CA VAL A 42 -6.203 -1.827 -0.451 1.00 0.00 C ATOM 551 C VAL A 42 -6.973 -0.655 -1.048 1.00 0.00 C ATOM 552 O VAL A 42 -6.629 -0.153 -2.119 1.00 0.00 O ATOM 553 CB VAL A 42 -4.729 -1.420 -0.268 1.00 0.00 C ATOM 554 CG1 VAL A 42 -4.626 -0.138 0.545 1.00 0.00 C ATOM 555 CG2 VAL A 42 -3.944 -2.543 0.391 1.00 0.00 C ATOM 0 H VAL A 42 -6.230 -2.841 -2.285 1.00 0.00 H new ATOM 0 HA VAL A 42 -6.626 -2.077 0.522 1.00 0.00 H new ATOM 0 HB VAL A 42 -4.297 -1.234 -1.251 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -3.577 0.134 0.664 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -5.153 0.664 0.028 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -5.074 -0.293 1.526 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -2.905 -2.238 0.512 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -4.374 -2.763 1.368 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -3.990 -3.435 -0.234 1.00 0.00 H new ATOM 565 N VAL A 43 -8.017 -0.221 -0.349 1.00 0.00 N ATOM 566 CA VAL A 43 -8.836 0.894 -0.810 1.00 0.00 C ATOM 567 C VAL A 43 -8.518 2.166 -0.033 1.00 0.00 C ATOM 568 O VAL A 43 -8.959 2.340 1.104 1.00 0.00 O ATOM 569 CB VAL A 43 -10.338 0.582 -0.670 1.00 0.00 C ATOM 570 CG1 VAL A 43 -11.173 1.789 -1.071 1.00 0.00 C ATOM 571 CG2 VAL A 43 -10.709 -0.634 -1.505 1.00 0.00 C ATOM 0 H VAL A 43 -8.316 -0.625 0.539 1.00 0.00 H new ATOM 0 HA VAL A 43 -8.601 1.046 -1.863 1.00 0.00 H new ATOM 0 HB VAL A 43 -10.549 0.355 0.375 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -12.231 1.550 -0.966 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -10.926 2.633 -0.427 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -10.961 2.050 -2.108 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -11.774 -0.840 -1.394 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -10.484 -0.438 -2.553 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -10.135 -1.497 -1.166 1.00 0.00 H new ATOM 581 N HIS A 44 -7.750 3.056 -0.654 1.00 0.00 N ATOM 582 CA HIS A 44 -7.373 4.315 -0.021 1.00 0.00 C ATOM 583 C HIS A 44 -8.327 5.434 -0.426 1.00 0.00 C ATOM 584 O HIS A 44 -8.494 5.722 -1.612 1.00 0.00 O ATOM 585 CB HIS A 44 -5.939 4.690 -0.398 1.00 0.00 C ATOM 586 CG HIS A 44 -5.651 6.155 -0.275 1.00 0.00 C ATOM 587 ND1 HIS A 44 -4.795 6.827 -1.121 1.00 0.00 N ATOM 588 CD2 HIS A 44 -6.113 7.077 0.601 1.00 0.00 C ATOM 589 CE1 HIS A 44 -4.742 8.100 -0.770 1.00 0.00 C ATOM 590 NE2 HIS A 44 -5.533 8.278 0.273 1.00 0.00 N ATOM 0 H HIS A 44 -7.377 2.929 -1.595 1.00 0.00 H new ATOM 0 HA HIS A 44 -7.434 4.183 1.059 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -5.248 4.138 0.239 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -5.748 4.375 -1.424 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -6.809 6.901 1.408 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -4.152 8.865 -1.254 1.00 0.00 H new ATOM 0 HE2 HIS A 44 -5.688 9.163 0.756 1.00 0.00 H new ATOM 599 N PHE A 45 -8.952 6.060 0.565 1.00 0.00 N ATOM 600 CA PHE A 45 -9.892 7.146 0.312 1.00 0.00 C ATOM 601 C PHE A 45 -9.152 8.452 0.035 1.00 0.00 C ATOM 602 O PHE A 45 -8.586 9.061 0.943 1.00 0.00 O ATOM 603 CB PHE A 45 -10.833 7.323 1.505 1.00 0.00 C ATOM 604 CG PHE A 45 -12.081 6.493 1.412 1.00 0.00 C ATOM 605 CD1 PHE A 45 -12.071 5.159 1.786 1.00 0.00 C ATOM 606 CD2 PHE A 45 -13.265 7.047 0.951 1.00 0.00 C ATOM 607 CE1 PHE A 45 -13.218 4.392 1.702 1.00 0.00 C ATOM 608 CE2 PHE A 45 -14.415 6.285 0.866 1.00 0.00 C ATOM 609 CZ PHE A 45 -14.391 4.956 1.240 1.00 0.00 C ATOM 0 H PHE A 45 -8.825 5.834 1.551 1.00 0.00 H new ATOM 0 HA PHE A 45 -10.479 6.887 -0.569 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -10.300 7.062 2.420 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -11.110 8.374 1.586 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -11.156 4.713 2.147 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -13.289 8.085 0.655 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -13.197 3.353 1.997 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -15.332 6.729 0.507 1.00 0.00 H new ATOM 0 HZ PHE A 45 -15.288 4.359 1.171 1.00 0.00 H new ATOM 619 N TRP A 46 -9.161 8.874 -1.224 1.00 0.00 N ATOM 620 CA TRP A 46 -8.491 10.107 -1.621 1.00 0.00 C ATOM 621 C TRP A 46 -9.504 11.207 -1.917 1.00 0.00 C ATOM 622 O TRP A 46 -10.501 10.977 -2.600 1.00 0.00 O ATOM 623 CB TRP A 46 -7.613 9.861 -2.850 1.00 0.00 C ATOM 624 CG TRP A 46 -8.368 9.934 -4.143 1.00 0.00 C ATOM 625 CD1 TRP A 46 -8.918 8.891 -4.831 1.00 0.00 C ATOM 626 CD2 TRP A 46 -8.653 11.114 -4.903 1.00 0.00 C ATOM 627 NE1 TRP A 46 -9.528 9.351 -5.973 1.00 0.00 N ATOM 628 CE2 TRP A 46 -9.381 10.711 -6.040 1.00 0.00 C ATOM 629 CE3 TRP A 46 -8.367 12.471 -4.733 1.00 0.00 C ATOM 630 CZ2 TRP A 46 -9.823 11.617 -7.000 1.00 0.00 C ATOM 631 CZ3 TRP A 46 -8.807 13.369 -5.686 1.00 0.00 C ATOM 632 CH2 TRP A 46 -9.528 12.940 -6.808 1.00 0.00 C ATOM 0 H TRP A 46 -9.625 8.381 -1.987 1.00 0.00 H new ATOM 0 HA TRP A 46 -7.862 10.432 -0.792 1.00 0.00 H new ATOM 0 HB2 TRP A 46 -6.808 10.596 -2.866 1.00 0.00 H new ATOM 0 HB3 TRP A 46 -7.147 8.879 -2.764 1.00 0.00 H new ATOM 0 HD1 TRP A 46 -8.879 7.857 -4.523 1.00 0.00 H new ATOM 0 HE1 TRP A 46 -10.012 8.773 -6.660 1.00 0.00 H new ATOM 0 HE3 TRP A 46 -7.812 12.812 -3.872 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 -10.379 11.288 -7.866 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 -8.591 14.420 -5.564 1.00 0.00 H new ATOM 0 HH2 TRP A 46 -9.857 13.667 -7.536 1.00 0.00 H new ATOM 643 N ALA A 47 -9.242 12.402 -1.398 1.00 0.00 N ATOM 644 CA ALA A 47 -10.131 13.538 -1.609 1.00 0.00 C ATOM 645 C ALA A 47 -9.353 14.765 -2.073 1.00 0.00 C ATOM 646 O ALA A 47 -8.216 15.000 -1.663 1.00 0.00 O ATOM 647 CB ALA A 47 -10.901 13.849 -0.334 1.00 0.00 C ATOM 0 H ALA A 47 -8.421 12.609 -0.828 1.00 0.00 H new ATOM 0 HA ALA A 47 -10.840 13.273 -2.393 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -11.561 14.699 -0.506 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -11.495 12.981 -0.047 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -10.200 14.090 0.465 1.00 0.00 H new ATOM 653 N PRO A 48 -9.978 15.566 -2.948 1.00 0.00 N ATOM 654 CA PRO A 48 -9.362 16.782 -3.487 1.00 0.00 C ATOM 655 C PRO A 48 -9.224 17.877 -2.435 1.00 0.00 C ATOM 656 O PRO A 48 -8.419 18.796 -2.584 1.00 0.00 O ATOM 657 CB PRO A 48 -10.336 17.216 -4.585 1.00 0.00 C ATOM 658 CG PRO A 48 -11.649 16.641 -4.177 1.00 0.00 C ATOM 659 CD PRO A 48 -11.334 15.346 -3.479 1.00 0.00 C ATOM 0 HA PRO A 48 -8.348 16.601 -3.844 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -10.387 18.302 -4.662 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -10.026 16.841 -5.560 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -12.184 17.321 -3.515 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -12.288 16.472 -5.044 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -12.048 15.135 -2.683 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -11.364 14.501 -4.167 1.00 0.00 H new ATOM 667 N TRP A 49 -10.012 17.772 -1.371 1.00 0.00 N ATOM 668 CA TRP A 49 -9.977 18.753 -0.293 1.00 0.00 C ATOM 669 C TRP A 49 -9.184 18.226 0.897 1.00 0.00 C ATOM 670 O TRP A 49 -9.346 18.700 2.021 1.00 0.00 O ATOM 671 CB TRP A 49 -11.398 19.113 0.144 1.00 0.00 C ATOM 672 CG TRP A 49 -12.302 17.923 0.263 1.00 0.00 C ATOM 673 CD1 TRP A 49 -13.163 17.450 -0.685 1.00 0.00 C ATOM 674 CD2 TRP A 49 -12.434 17.058 1.396 1.00 0.00 C ATOM 675 NE1 TRP A 49 -13.823 16.342 -0.209 1.00 0.00 N ATOM 676 CE2 TRP A 49 -13.393 16.081 1.065 1.00 0.00 C ATOM 677 CE3 TRP A 49 -11.834 17.012 2.658 1.00 0.00 C ATOM 678 CZ2 TRP A 49 -13.765 15.073 1.950 1.00 0.00 C ATOM 679 CZ3 TRP A 49 -12.205 16.011 3.535 1.00 0.00 C ATOM 680 CH2 TRP A 49 -13.162 15.052 3.178 1.00 0.00 C ATOM 0 H TRP A 49 -10.683 17.017 -1.232 1.00 0.00 H new ATOM 0 HA TRP A 49 -9.482 19.649 -0.667 1.00 0.00 H new ATOM 0 HB2 TRP A 49 -11.356 19.626 1.105 1.00 0.00 H new ATOM 0 HB3 TRP A 49 -11.825 19.814 -0.573 1.00 0.00 H new ATOM 0 HD1 TRP A 49 -13.305 17.882 -1.664 1.00 0.00 H new ATOM 0 HE1 TRP A 49 -14.520 15.802 -0.722 1.00 0.00 H new ATOM 0 HE3 TRP A 49 -11.094 17.746 2.942 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 -14.503 14.334 1.677 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 -11.749 15.967 4.513 1.00 0.00 H new ATOM 0 HH2 TRP A 49 -13.429 14.281 3.886 1.00 0.00 H new ATOM 691 N ALA A 50 -8.325 17.244 0.643 1.00 0.00 N ATOM 692 CA ALA A 50 -7.505 16.655 1.694 1.00 0.00 C ATOM 693 C ALA A 50 -6.044 16.569 1.267 1.00 0.00 C ATOM 694 O ALA A 50 -5.675 15.798 0.380 1.00 0.00 O ATOM 695 CB ALA A 50 -8.031 15.275 2.063 1.00 0.00 C ATOM 0 H ALA A 50 -8.179 16.840 -0.282 1.00 0.00 H new ATOM 0 HA ALA A 50 -7.563 17.300 2.570 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -7.409 14.847 2.849 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -9.058 15.360 2.419 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -8.003 14.629 1.186 1.00 0.00 H new ATOM 701 N PRO A 51 -5.190 17.379 1.910 1.00 0.00 N ATOM 702 CA PRO A 51 -3.755 17.413 1.613 1.00 0.00 C ATOM 703 C PRO A 51 -3.040 16.142 2.061 1.00 0.00 C ATOM 704 O PRO A 51 -2.255 15.565 1.310 1.00 0.00 O ATOM 705 CB PRO A 51 -3.255 18.618 2.414 1.00 0.00 C ATOM 706 CG PRO A 51 -4.232 18.762 3.530 1.00 0.00 C ATOM 707 CD PRO A 51 -5.560 18.324 2.977 1.00 0.00 C ATOM 0 HA PRO A 51 -3.562 17.486 0.543 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -2.246 18.452 2.790 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -3.222 19.517 1.798 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -3.943 18.148 4.383 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -4.276 19.793 3.880 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -6.176 17.848 3.740 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -6.131 19.167 2.587 1.00 0.00 H new ATOM 715 N GLN A 52 -3.318 15.714 3.288 1.00 0.00 N ATOM 716 CA GLN A 52 -2.700 14.511 3.834 1.00 0.00 C ATOM 717 C GLN A 52 -2.785 13.356 2.841 1.00 0.00 C ATOM 718 O GLN A 52 -1.913 12.488 2.809 1.00 0.00 O ATOM 719 CB GLN A 52 -3.375 14.119 5.150 1.00 0.00 C ATOM 720 CG GLN A 52 -2.729 14.746 6.375 1.00 0.00 C ATOM 721 CD GLN A 52 -2.522 16.240 6.225 1.00 0.00 C ATOM 722 OE1 GLN A 52 -3.473 17.020 6.286 1.00 0.00 O ATOM 723 NE2 GLN A 52 -1.274 16.648 6.028 1.00 0.00 N ATOM 0 H GLN A 52 -3.966 16.181 3.922 1.00 0.00 H new ATOM 0 HA GLN A 52 -1.648 14.726 4.023 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -4.424 14.413 5.112 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -3.351 13.034 5.252 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -3.353 14.555 7.248 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -1.768 14.267 6.560 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -0.516 15.967 5.984 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -1.073 17.642 5.920 1.00 0.00 H new ATOM 732 N CYS A 53 -3.841 13.353 2.035 1.00 0.00 N ATOM 733 CA CYS A 53 -4.040 12.303 1.042 1.00 0.00 C ATOM 734 C CYS A 53 -2.947 12.346 -0.021 1.00 0.00 C ATOM 735 O CYS A 53 -2.373 11.317 -0.376 1.00 0.00 O ATOM 736 CB CYS A 53 -5.413 12.449 0.384 1.00 0.00 C ATOM 737 SG CYS A 53 -6.790 11.902 1.421 1.00 0.00 S ATOM 0 H CYS A 53 -4.572 14.065 2.049 1.00 0.00 H new ATOM 0 HA CYS A 53 -3.989 11.341 1.551 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -5.567 13.494 0.116 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -5.422 11.878 -0.544 1.00 0.00 H new ATOM 0 HG CYS A 53 -6.945 12.732 2.410 1.00 0.00 H new ATOM 743 N ALA A 54 -2.666 13.542 -0.526 1.00 0.00 N ATOM 744 CA ALA A 54 -1.642 13.719 -1.548 1.00 0.00 C ATOM 745 C ALA A 54 -0.465 12.777 -1.315 1.00 0.00 C ATOM 746 O ALA A 54 -0.252 11.836 -2.079 1.00 0.00 O ATOM 747 CB ALA A 54 -1.166 15.164 -1.575 1.00 0.00 C ATOM 0 H ALA A 54 -3.133 14.404 -0.244 1.00 0.00 H new ATOM 0 HA ALA A 54 -2.083 13.475 -2.514 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -0.401 15.281 -2.343 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -2.007 15.820 -1.798 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -0.748 15.427 -0.604 1.00 0.00 H new ATOM 753 N GLN A 55 0.294 13.037 -0.256 1.00 0.00 N ATOM 754 CA GLN A 55 1.450 12.213 0.076 1.00 0.00 C ATOM 755 C GLN A 55 1.046 10.752 0.246 1.00 0.00 C ATOM 756 O GLN A 55 1.775 9.845 -0.154 1.00 0.00 O ATOM 757 CB GLN A 55 2.116 12.722 1.355 1.00 0.00 C ATOM 758 CG GLN A 55 1.308 12.447 2.613 1.00 0.00 C ATOM 759 CD GLN A 55 1.519 13.499 3.684 1.00 0.00 C ATOM 760 OE1 GLN A 55 1.770 13.177 4.846 1.00 0.00 O ATOM 761 NE2 GLN A 55 1.416 14.765 3.298 1.00 0.00 N ATOM 0 H GLN A 55 0.129 13.812 0.387 1.00 0.00 H new ATOM 0 HA GLN A 55 2.161 12.281 -0.747 1.00 0.00 H new ATOM 0 HB2 GLN A 55 3.097 12.256 1.454 1.00 0.00 H new ATOM 0 HB3 GLN A 55 2.280 13.796 1.266 1.00 0.00 H new ATOM 0 HG2 GLN A 55 0.249 12.401 2.357 1.00 0.00 H new ATOM 0 HG3 GLN A 55 1.582 11.470 3.010 1.00 0.00 H new ATOM 0 HE21 GLN A 55 1.207 14.986 2.324 1.00 0.00 H new ATOM 0 HE22 GLN A 55 1.546 15.517 3.975 1.00 0.00 H new ATOM 770 N MET A 56 -0.121 10.532 0.843 1.00 0.00 N ATOM 771 CA MET A 56 -0.623 9.181 1.065 1.00 0.00 C ATOM 772 C MET A 56 -0.796 8.441 -0.257 1.00 0.00 C ATOM 773 O MET A 56 -0.840 7.212 -0.291 1.00 0.00 O ATOM 774 CB MET A 56 -1.954 9.225 1.817 1.00 0.00 C ATOM 775 CG MET A 56 -1.818 9.650 3.270 1.00 0.00 C ATOM 776 SD MET A 56 -1.179 8.332 4.322 1.00 0.00 S ATOM 777 CE MET A 56 0.585 8.564 4.121 1.00 0.00 C ATOM 0 H MET A 56 -0.736 11.272 1.182 1.00 0.00 H new ATOM 0 HA MET A 56 0.108 8.643 1.668 1.00 0.00 H new ATOM 0 HB2 MET A 56 -2.627 9.914 1.307 1.00 0.00 H new ATOM 0 HB3 MET A 56 -2.417 8.239 1.777 1.00 0.00 H new ATOM 0 HG2 MET A 56 -1.155 10.513 3.332 1.00 0.00 H new ATOM 0 HG3 MET A 56 -2.791 9.969 3.644 1.00 0.00 H new ATOM 0 HE1 MET A 56 1.028 7.653 3.719 1.00 0.00 H new ATOM 0 HE2 MET A 56 0.767 9.390 3.434 1.00 0.00 H new ATOM 0 HE3 MET A 56 1.035 8.790 5.088 1.00 0.00 H new ATOM 787 N ASN A 57 -0.895 9.198 -1.345 1.00 0.00 N ATOM 788 CA ASN A 57 -1.065 8.614 -2.671 1.00 0.00 C ATOM 789 C ASN A 57 0.279 8.190 -3.255 1.00 0.00 C ATOM 790 O ASN A 57 0.497 7.014 -3.546 1.00 0.00 O ATOM 791 CB ASN A 57 -1.749 9.612 -3.607 1.00 0.00 C ATOM 792 CG ASN A 57 -1.795 9.121 -5.041 1.00 0.00 C ATOM 793 OD1 ASN A 57 -1.760 7.918 -5.299 1.00 0.00 O ATOM 794 ND2 ASN A 57 -1.872 10.054 -5.983 1.00 0.00 N ATOM 0 H ASN A 57 -0.860 10.217 -1.335 1.00 0.00 H new ATOM 0 HA ASN A 57 -1.694 7.729 -2.573 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -2.764 9.798 -3.257 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -1.219 10.564 -3.568 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -1.905 9.785 -6.966 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -1.899 11.040 -5.723 1.00 0.00 H new ATOM 801 N GLU A 58 1.176 9.156 -3.422 1.00 0.00 N ATOM 802 CA GLU A 58 2.499 8.883 -3.972 1.00 0.00 C ATOM 803 C GLU A 58 3.180 7.748 -3.212 1.00 0.00 C ATOM 804 O GLU A 58 3.980 7.001 -3.775 1.00 0.00 O ATOM 805 CB GLU A 58 3.368 10.141 -3.918 1.00 0.00 C ATOM 806 CG GLU A 58 3.949 10.421 -2.542 1.00 0.00 C ATOM 807 CD GLU A 58 5.288 9.744 -2.325 1.00 0.00 C ATOM 808 OE1 GLU A 58 5.973 9.448 -3.326 1.00 0.00 O ATOM 809 OE2 GLU A 58 5.650 9.509 -1.153 1.00 0.00 O ATOM 0 H GLU A 58 1.011 10.134 -3.185 1.00 0.00 H new ATOM 0 HA GLU A 58 2.377 8.579 -5.012 1.00 0.00 H new ATOM 0 HB2 GLU A 58 4.184 10.040 -4.634 1.00 0.00 H new ATOM 0 HB3 GLU A 58 2.772 10.998 -4.233 1.00 0.00 H new ATOM 0 HG2 GLU A 58 4.065 11.497 -2.413 1.00 0.00 H new ATOM 0 HG3 GLU A 58 3.247 10.082 -1.780 1.00 0.00 H new ATOM 816 N VAL A 59 2.856 7.626 -1.928 1.00 0.00 N ATOM 817 CA VAL A 59 3.435 6.582 -1.090 1.00 0.00 C ATOM 818 C VAL A 59 3.014 5.197 -1.567 1.00 0.00 C ATOM 819 O VAL A 59 3.837 4.288 -1.669 1.00 0.00 O ATOM 820 CB VAL A 59 3.023 6.753 0.384 1.00 0.00 C ATOM 821 CG1 VAL A 59 3.431 5.535 1.197 1.00 0.00 C ATOM 822 CG2 VAL A 59 3.633 8.020 0.964 1.00 0.00 C ATOM 0 H VAL A 59 2.196 8.237 -1.446 1.00 0.00 H new ATOM 0 HA VAL A 59 4.518 6.676 -1.170 1.00 0.00 H new ATOM 0 HB VAL A 59 1.938 6.845 0.432 1.00 0.00 H new ATOM 0 HG11 VAL A 59 3.132 5.674 2.236 1.00 0.00 H new ATOM 0 HG12 VAL A 59 2.942 4.648 0.794 1.00 0.00 H new ATOM 0 HG13 VAL A 59 4.512 5.408 1.145 1.00 0.00 H new ATOM 0 HG21 VAL A 59 3.331 8.125 2.006 1.00 0.00 H new ATOM 0 HG22 VAL A 59 4.720 7.961 0.905 1.00 0.00 H new ATOM 0 HG23 VAL A 59 3.286 8.884 0.397 1.00 0.00 H new ATOM 832 N MET A 60 1.726 5.044 -1.859 1.00 0.00 N ATOM 833 CA MET A 60 1.196 3.769 -2.328 1.00 0.00 C ATOM 834 C MET A 60 1.862 3.350 -3.634 1.00 0.00 C ATOM 835 O MET A 60 2.224 2.187 -3.812 1.00 0.00 O ATOM 836 CB MET A 60 -0.319 3.864 -2.522 1.00 0.00 C ATOM 837 CG MET A 60 -1.083 4.106 -1.230 1.00 0.00 C ATOM 838 SD MET A 60 -2.733 3.380 -1.253 1.00 0.00 S ATOM 839 CE MET A 60 -3.334 3.953 -2.840 1.00 0.00 C ATOM 0 H MET A 60 1.031 5.786 -1.779 1.00 0.00 H new ATOM 0 HA MET A 60 1.413 3.014 -1.573 1.00 0.00 H new ATOM 0 HB2 MET A 60 -0.538 4.672 -3.221 1.00 0.00 H new ATOM 0 HB3 MET A 60 -0.677 2.942 -2.979 1.00 0.00 H new ATOM 0 HG2 MET A 60 -0.519 3.690 -0.395 1.00 0.00 H new ATOM 0 HG3 MET A 60 -1.165 5.179 -1.056 1.00 0.00 H new ATOM 0 HE1 MET A 60 -4.382 3.676 -2.954 1.00 0.00 H new ATOM 0 HE2 MET A 60 -3.238 5.037 -2.896 1.00 0.00 H new ATOM 0 HE3 MET A 60 -2.749 3.495 -3.638 1.00 0.00 H new ATOM 849 N ALA A 61 2.020 4.304 -4.545 1.00 0.00 N ATOM 850 CA ALA A 61 2.645 4.034 -5.835 1.00 0.00 C ATOM 851 C ALA A 61 3.854 3.118 -5.677 1.00 0.00 C ATOM 852 O ALA A 61 3.974 2.110 -6.373 1.00 0.00 O ATOM 853 CB ALA A 61 3.050 5.336 -6.508 1.00 0.00 C ATOM 0 H ALA A 61 1.724 5.271 -4.414 1.00 0.00 H new ATOM 0 HA ALA A 61 1.916 3.525 -6.465 1.00 0.00 H new ATOM 0 HB1 ALA A 61 3.515 5.119 -7.470 1.00 0.00 H new ATOM 0 HB2 ALA A 61 2.167 5.955 -6.664 1.00 0.00 H new ATOM 0 HB3 ALA A 61 3.759 5.868 -5.874 1.00 0.00 H new ATOM 859 N GLU A 62 4.746 3.476 -4.760 1.00 0.00 N ATOM 860 CA GLU A 62 5.947 2.686 -4.514 1.00 0.00 C ATOM 861 C GLU A 62 5.590 1.318 -3.941 1.00 0.00 C ATOM 862 O GLU A 62 5.957 0.283 -4.500 1.00 0.00 O ATOM 863 CB GLU A 62 6.883 3.425 -3.554 1.00 0.00 C ATOM 864 CG GLU A 62 7.714 4.505 -4.225 1.00 0.00 C ATOM 865 CD GLU A 62 8.991 4.814 -3.467 1.00 0.00 C ATOM 866 OE1 GLU A 62 8.991 4.676 -2.226 1.00 0.00 O ATOM 867 OE2 GLU A 62 9.988 5.193 -4.115 1.00 0.00 O ATOM 0 H GLU A 62 4.660 4.307 -4.175 1.00 0.00 H new ATOM 0 HA GLU A 62 6.457 2.540 -5.466 1.00 0.00 H new ATOM 0 HB2 GLU A 62 6.291 3.876 -2.758 1.00 0.00 H new ATOM 0 HB3 GLU A 62 7.551 2.703 -3.084 1.00 0.00 H new ATOM 0 HG2 GLU A 62 7.964 4.189 -5.238 1.00 0.00 H new ATOM 0 HG3 GLU A 62 7.119 5.414 -4.313 1.00 0.00 H new ATOM 874 N LEU A 63 4.873 1.320 -2.823 1.00 0.00 N ATOM 875 CA LEU A 63 4.466 0.079 -2.173 1.00 0.00 C ATOM 876 C LEU A 63 3.972 -0.937 -3.198 1.00 0.00 C ATOM 877 O LEU A 63 4.387 -2.095 -3.188 1.00 0.00 O ATOM 878 CB LEU A 63 3.368 0.356 -1.143 1.00 0.00 C ATOM 879 CG LEU A 63 3.840 0.845 0.226 1.00 0.00 C ATOM 880 CD1 LEU A 63 2.681 1.443 1.008 1.00 0.00 C ATOM 881 CD2 LEU A 63 4.482 -0.293 1.007 1.00 0.00 C ATOM 0 H LEU A 63 4.561 2.167 -2.348 1.00 0.00 H new ATOM 0 HA LEU A 63 5.336 -0.338 -1.666 1.00 0.00 H new ATOM 0 HB2 LEU A 63 2.688 1.100 -1.558 1.00 0.00 H new ATOM 0 HB3 LEU A 63 2.792 -0.558 -1.001 1.00 0.00 H new ATOM 0 HG LEU A 63 4.589 1.623 0.074 1.00 0.00 H new ATOM 0 HD11 LEU A 63 3.036 1.786 1.980 1.00 0.00 H new ATOM 0 HD12 LEU A 63 2.266 2.286 0.456 1.00 0.00 H new ATOM 0 HD13 LEU A 63 1.909 0.687 1.150 1.00 0.00 H new ATOM 0 HD21 LEU A 63 4.812 0.074 1.979 1.00 0.00 H new ATOM 0 HD22 LEU A 63 3.755 -1.093 1.149 1.00 0.00 H new ATOM 0 HD23 LEU A 63 5.339 -0.676 0.453 1.00 0.00 H new ATOM 893 N ALA A 64 3.086 -0.493 -4.083 1.00 0.00 N ATOM 894 CA ALA A 64 2.540 -1.362 -5.118 1.00 0.00 C ATOM 895 C ALA A 64 3.653 -2.047 -5.904 1.00 0.00 C ATOM 896 O ALA A 64 3.572 -3.238 -6.206 1.00 0.00 O ATOM 897 CB ALA A 64 1.642 -0.568 -6.055 1.00 0.00 C ATOM 0 H ALA A 64 2.731 0.463 -4.104 1.00 0.00 H new ATOM 0 HA ALA A 64 1.946 -2.135 -4.631 1.00 0.00 H new ATOM 0 HB1 ALA A 64 1.241 -1.230 -6.823 1.00 0.00 H new ATOM 0 HB2 ALA A 64 0.820 -0.131 -5.488 1.00 0.00 H new ATOM 0 HB3 ALA A 64 2.220 0.227 -6.527 1.00 0.00 H new ATOM 903 N LYS A 65 4.692 -1.288 -6.233 1.00 0.00 N ATOM 904 CA LYS A 65 5.823 -1.821 -6.983 1.00 0.00 C ATOM 905 C LYS A 65 6.587 -2.851 -6.158 1.00 0.00 C ATOM 906 O LYS A 65 6.985 -3.897 -6.669 1.00 0.00 O ATOM 907 CB LYS A 65 6.763 -0.688 -7.402 1.00 0.00 C ATOM 908 CG LYS A 65 6.066 0.436 -8.148 1.00 0.00 C ATOM 909 CD LYS A 65 7.003 1.117 -9.133 1.00 0.00 C ATOM 910 CE LYS A 65 8.061 1.941 -8.416 1.00 0.00 C ATOM 911 NZ LYS A 65 8.754 2.880 -9.341 1.00 0.00 N ATOM 0 H LYS A 65 4.775 -0.300 -5.992 1.00 0.00 H new ATOM 0 HA LYS A 65 5.435 -2.312 -7.875 1.00 0.00 H new ATOM 0 HB2 LYS A 65 7.244 -0.279 -6.514 1.00 0.00 H new ATOM 0 HB3 LYS A 65 7.552 -1.097 -8.033 1.00 0.00 H new ATOM 0 HG2 LYS A 65 5.202 0.039 -8.681 1.00 0.00 H new ATOM 0 HG3 LYS A 65 5.691 1.170 -7.435 1.00 0.00 H new ATOM 0 HD2 LYS A 65 7.487 0.365 -9.756 1.00 0.00 H new ATOM 0 HD3 LYS A 65 6.428 1.761 -9.798 1.00 0.00 H new ATOM 0 HE2 LYS A 65 7.596 2.505 -7.607 1.00 0.00 H new ATOM 0 HE3 LYS A 65 8.793 1.274 -7.960 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 9.467 3.423 -8.814 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 9.220 2.341 -10.099 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 8.060 3.533 -9.757 1.00 0.00 H new ATOM 925 N GLU A 66 6.786 -2.547 -4.879 1.00 0.00 N ATOM 926 CA GLU A 66 7.502 -3.448 -3.983 1.00 0.00 C ATOM 927 C GLU A 66 6.735 -4.755 -3.798 1.00 0.00 C ATOM 928 O GLU A 66 7.322 -5.837 -3.789 1.00 0.00 O ATOM 929 CB GLU A 66 7.728 -2.780 -2.625 1.00 0.00 C ATOM 930 CG GLU A 66 8.218 -3.736 -1.551 1.00 0.00 C ATOM 931 CD GLU A 66 9.335 -4.639 -2.038 1.00 0.00 C ATOM 932 OE1 GLU A 66 10.409 -4.112 -2.396 1.00 0.00 O ATOM 933 OE2 GLU A 66 9.135 -5.871 -2.061 1.00 0.00 O ATOM 0 H GLU A 66 6.462 -1.685 -4.441 1.00 0.00 H new ATOM 0 HA GLU A 66 8.468 -3.674 -4.434 1.00 0.00 H new ATOM 0 HB2 GLU A 66 8.454 -1.975 -2.742 1.00 0.00 H new ATOM 0 HB3 GLU A 66 6.795 -2.323 -2.295 1.00 0.00 H new ATOM 0 HG2 GLU A 66 8.568 -3.163 -0.692 1.00 0.00 H new ATOM 0 HG3 GLU A 66 7.384 -4.349 -1.208 1.00 0.00 H new ATOM 940 N LEU A 67 5.419 -4.645 -3.650 1.00 0.00 N ATOM 941 CA LEU A 67 4.570 -5.816 -3.464 1.00 0.00 C ATOM 942 C LEU A 67 3.584 -5.962 -4.619 1.00 0.00 C ATOM 943 O LEU A 67 2.528 -5.329 -4.650 1.00 0.00 O ATOM 944 CB LEU A 67 3.811 -5.716 -2.140 1.00 0.00 C ATOM 945 CG LEU A 67 4.662 -5.444 -0.898 1.00 0.00 C ATOM 946 CD1 LEU A 67 3.802 -4.886 0.225 1.00 0.00 C ATOM 947 CD2 LEU A 67 5.371 -6.713 -0.449 1.00 0.00 C ATOM 0 H LEU A 67 4.917 -3.757 -3.655 1.00 0.00 H new ATOM 0 HA LEU A 67 5.210 -6.698 -3.442 1.00 0.00 H new ATOM 0 HB2 LEU A 67 3.069 -4.923 -2.228 1.00 0.00 H new ATOM 0 HB3 LEU A 67 3.265 -6.647 -1.986 1.00 0.00 H new ATOM 0 HG LEU A 67 5.417 -4.701 -1.154 1.00 0.00 H new ATOM 0 HD11 LEU A 67 4.424 -4.698 1.101 1.00 0.00 H new ATOM 0 HD12 LEU A 67 3.341 -3.953 -0.099 1.00 0.00 H new ATOM 0 HD13 LEU A 67 3.024 -5.606 0.480 1.00 0.00 H new ATOM 0 HD21 LEU A 67 5.972 -6.501 0.435 1.00 0.00 H new ATOM 0 HD22 LEU A 67 4.632 -7.478 -0.211 1.00 0.00 H new ATOM 0 HD23 LEU A 67 6.018 -7.071 -1.250 1.00 0.00 H new ATOM 959 N PRO A 68 3.932 -6.818 -5.591 1.00 0.00 N ATOM 960 CA PRO A 68 3.090 -7.070 -6.764 1.00 0.00 C ATOM 961 C PRO A 68 1.819 -7.835 -6.411 1.00 0.00 C ATOM 962 O PRO A 68 0.749 -7.561 -6.955 1.00 0.00 O ATOM 963 CB PRO A 68 3.988 -7.914 -7.671 1.00 0.00 C ATOM 964 CG PRO A 68 4.946 -8.579 -6.743 1.00 0.00 C ATOM 965 CD PRO A 68 5.176 -7.607 -5.619 1.00 0.00 C ATOM 0 HA PRO A 68 2.746 -6.144 -7.225 1.00 0.00 H new ATOM 0 HB2 PRO A 68 3.408 -8.646 -8.232 1.00 0.00 H new ATOM 0 HB3 PRO A 68 4.509 -7.294 -8.400 1.00 0.00 H new ATOM 0 HG2 PRO A 68 4.539 -9.519 -6.369 1.00 0.00 H new ATOM 0 HG3 PRO A 68 5.881 -8.816 -7.251 1.00 0.00 H new ATOM 0 HD2 PRO A 68 5.348 -8.120 -4.673 1.00 0.00 H new ATOM 0 HD3 PRO A 68 6.047 -6.978 -5.803 1.00 0.00 H new ATOM 973 N GLN A 69 1.944 -8.793 -5.499 1.00 0.00 N ATOM 974 CA GLN A 69 0.804 -9.597 -5.075 1.00 0.00 C ATOM 975 C GLN A 69 -0.317 -8.713 -4.539 1.00 0.00 C ATOM 976 O GLN A 69 -1.497 -9.023 -4.700 1.00 0.00 O ATOM 977 CB GLN A 69 1.232 -10.603 -4.005 1.00 0.00 C ATOM 978 CG GLN A 69 1.444 -9.980 -2.634 1.00 0.00 C ATOM 979 CD GLN A 69 1.570 -11.017 -1.535 1.00 0.00 C ATOM 980 OE1 GLN A 69 0.963 -12.086 -1.602 1.00 0.00 O ATOM 981 NE2 GLN A 69 2.362 -10.706 -0.516 1.00 0.00 N ATOM 0 H GLN A 69 2.823 -9.031 -5.039 1.00 0.00 H new ATOM 0 HA GLN A 69 0.431 -10.138 -5.944 1.00 0.00 H new ATOM 0 HB2 GLN A 69 0.474 -11.383 -3.927 1.00 0.00 H new ATOM 0 HB3 GLN A 69 2.156 -11.087 -4.322 1.00 0.00 H new ATOM 0 HG2 GLN A 69 2.344 -9.366 -2.654 1.00 0.00 H new ATOM 0 HG3 GLN A 69 0.610 -9.316 -2.408 1.00 0.00 H new ATOM 0 HE21 GLN A 69 2.846 -9.808 -0.502 1.00 0.00 H new ATOM 0 HE22 GLN A 69 2.487 -11.365 0.253 1.00 0.00 H new ATOM 990 N VAL A 70 0.061 -7.610 -3.900 1.00 0.00 N ATOM 991 CA VAL A 70 -0.913 -6.680 -3.340 1.00 0.00 C ATOM 992 C VAL A 70 -1.529 -5.808 -4.429 1.00 0.00 C ATOM 993 O VAL A 70 -0.910 -5.558 -5.463 1.00 0.00 O ATOM 994 CB VAL A 70 -0.272 -5.772 -2.273 1.00 0.00 C ATOM 995 CG1 VAL A 70 -1.314 -4.846 -1.664 1.00 0.00 C ATOM 996 CG2 VAL A 70 0.403 -6.609 -1.197 1.00 0.00 C ATOM 0 H VAL A 70 1.034 -7.339 -3.757 1.00 0.00 H new ATOM 0 HA VAL A 70 -1.694 -7.281 -2.874 1.00 0.00 H new ATOM 0 HB VAL A 70 0.489 -5.157 -2.754 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -0.843 -4.212 -0.913 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -1.747 -4.222 -2.445 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -2.100 -5.440 -1.197 1.00 0.00 H new ATOM 0 HG21 VAL A 70 0.850 -5.951 -0.452 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -0.337 -7.251 -0.718 1.00 0.00 H new ATOM 0 HG23 VAL A 70 1.180 -7.226 -1.650 1.00 0.00 H new ATOM 1006 N SER A 71 -2.753 -5.349 -4.189 1.00 0.00 N ATOM 1007 CA SER A 71 -3.456 -4.508 -5.151 1.00 0.00 C ATOM 1008 C SER A 71 -3.904 -3.201 -4.504 1.00 0.00 C ATOM 1009 O SER A 71 -4.757 -3.194 -3.616 1.00 0.00 O ATOM 1010 CB SER A 71 -4.667 -5.250 -5.720 1.00 0.00 C ATOM 1011 OG SER A 71 -5.007 -4.761 -7.005 1.00 0.00 O ATOM 0 H SER A 71 -3.278 -5.545 -3.337 1.00 0.00 H new ATOM 0 HA SER A 71 -2.768 -4.274 -5.963 1.00 0.00 H new ATOM 0 HB2 SER A 71 -4.449 -6.316 -5.779 1.00 0.00 H new ATOM 0 HB3 SER A 71 -5.517 -5.135 -5.047 1.00 0.00 H new ATOM 0 HG SER A 71 -5.854 -4.271 -6.955 1.00 0.00 H new ATOM 1017 N PHE A 72 -3.321 -2.095 -4.956 1.00 0.00 N ATOM 1018 CA PHE A 72 -3.659 -0.781 -4.421 1.00 0.00 C ATOM 1019 C PHE A 72 -4.679 -0.077 -5.311 1.00 0.00 C ATOM 1020 O PHE A 72 -4.532 -0.038 -6.533 1.00 0.00 O ATOM 1021 CB PHE A 72 -2.399 0.079 -4.292 1.00 0.00 C ATOM 1022 CG PHE A 72 -1.399 -0.467 -3.314 1.00 0.00 C ATOM 1023 CD1 PHE A 72 -0.807 -1.702 -3.525 1.00 0.00 C ATOM 1024 CD2 PHE A 72 -1.049 0.255 -2.185 1.00 0.00 C ATOM 1025 CE1 PHE A 72 0.114 -2.207 -2.626 1.00 0.00 C ATOM 1026 CE2 PHE A 72 -0.129 -0.244 -1.282 1.00 0.00 C ATOM 1027 CZ PHE A 72 0.454 -1.477 -1.504 1.00 0.00 C ATOM 0 H PHE A 72 -2.613 -2.083 -5.690 1.00 0.00 H new ATOM 0 HA PHE A 72 -4.099 -0.920 -3.434 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -1.927 0.167 -5.271 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -2.685 1.085 -3.984 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -1.068 -2.276 -4.402 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -1.501 1.220 -2.008 1.00 0.00 H new ATOM 0 HE1 PHE A 72 0.567 -3.172 -2.801 1.00 0.00 H new ATOM 0 HE2 PHE A 72 0.134 0.329 -0.405 1.00 0.00 H new ATOM 0 HZ PHE A 72 1.174 -1.869 -0.801 1.00 0.00 H new ATOM 1037 N VAL A 73 -5.715 0.477 -4.689 1.00 0.00 N ATOM 1038 CA VAL A 73 -6.761 1.180 -5.423 1.00 0.00 C ATOM 1039 C VAL A 73 -7.268 2.384 -4.639 1.00 0.00 C ATOM 1040 O VAL A 73 -7.650 2.265 -3.474 1.00 0.00 O ATOM 1041 CB VAL A 73 -7.947 0.249 -5.739 1.00 0.00 C ATOM 1042 CG1 VAL A 73 -7.565 -0.757 -6.814 1.00 0.00 C ATOM 1043 CG2 VAL A 73 -8.419 -0.458 -4.478 1.00 0.00 C ATOM 0 H VAL A 73 -5.852 0.453 -3.679 1.00 0.00 H new ATOM 0 HA VAL A 73 -6.317 1.521 -6.358 1.00 0.00 H new ATOM 0 HB VAL A 73 -8.771 0.854 -6.119 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -8.415 -1.406 -7.024 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -7.280 -0.227 -7.723 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -6.726 -1.360 -6.467 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -9.257 -1.112 -4.719 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -7.603 -1.052 -4.067 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -8.736 0.282 -3.743 1.00 0.00 H new ATOM 1053 N LYS A 74 -7.271 3.546 -5.284 1.00 0.00 N ATOM 1054 CA LYS A 74 -7.733 4.774 -4.649 1.00 0.00 C ATOM 1055 C LYS A 74 -9.101 5.183 -5.187 1.00 0.00 C ATOM 1056 O LYS A 74 -9.295 5.294 -6.398 1.00 0.00 O ATOM 1057 CB LYS A 74 -6.725 5.902 -4.877 1.00 0.00 C ATOM 1058 CG LYS A 74 -6.520 6.247 -6.342 1.00 0.00 C ATOM 1059 CD LYS A 74 -5.498 7.358 -6.516 1.00 0.00 C ATOM 1060 CE LYS A 74 -5.658 8.058 -7.857 1.00 0.00 C ATOM 1061 NZ LYS A 74 -4.943 7.339 -8.947 1.00 0.00 N ATOM 0 H LYS A 74 -6.958 3.663 -6.248 1.00 0.00 H new ATOM 0 HA LYS A 74 -7.824 4.588 -3.579 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -7.062 6.792 -4.346 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -5.767 5.616 -4.442 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -6.190 5.360 -6.883 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -7.470 6.553 -6.781 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -5.607 8.084 -5.710 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -4.493 6.944 -6.438 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -6.717 8.131 -8.104 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -5.277 9.076 -7.783 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -5.076 7.848 -9.844 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -3.928 7.291 -8.724 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -5.324 6.375 -9.035 1.00 0.00 H new ATOM 1075 N LEU A 75 -10.045 5.409 -4.280 1.00 0.00 N ATOM 1076 CA LEU A 75 -11.394 5.808 -4.664 1.00 0.00 C ATOM 1077 C LEU A 75 -11.725 7.196 -4.125 1.00 0.00 C ATOM 1078 O LEU A 75 -11.493 7.488 -2.952 1.00 0.00 O ATOM 1079 CB LEU A 75 -12.414 4.792 -4.148 1.00 0.00 C ATOM 1080 CG LEU A 75 -13.884 5.201 -4.256 1.00 0.00 C ATOM 1081 CD1 LEU A 75 -14.775 3.972 -4.346 1.00 0.00 C ATOM 1082 CD2 LEU A 75 -14.284 6.068 -3.071 1.00 0.00 C ATOM 0 H LEU A 75 -9.901 5.323 -3.274 1.00 0.00 H new ATOM 0 HA LEU A 75 -11.441 5.840 -5.753 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -12.276 3.859 -4.695 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -12.192 4.584 -3.101 1.00 0.00 H new ATOM 0 HG LEU A 75 -14.013 5.785 -5.167 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -15.817 4.283 -4.422 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -14.504 3.390 -5.227 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -14.643 3.361 -3.453 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -15.333 6.350 -3.164 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -14.139 5.510 -2.146 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -13.667 6.966 -3.053 1.00 0.00 H new ATOM 1094 N GLU A 76 -12.271 8.047 -4.989 1.00 0.00 N ATOM 1095 CA GLU A 76 -12.635 9.403 -4.598 1.00 0.00 C ATOM 1096 C GLU A 76 -13.921 9.406 -3.776 1.00 0.00 C ATOM 1097 O GLU A 76 -15.015 9.244 -4.316 1.00 0.00 O ATOM 1098 CB GLU A 76 -12.806 10.286 -5.836 1.00 0.00 C ATOM 1099 CG GLU A 76 -12.729 11.774 -5.538 1.00 0.00 C ATOM 1100 CD GLU A 76 -12.991 12.629 -6.763 1.00 0.00 C ATOM 1101 OE1 GLU A 76 -12.284 12.445 -7.776 1.00 0.00 O ATOM 1102 OE2 GLU A 76 -13.902 13.481 -6.709 1.00 0.00 O ATOM 0 H GLU A 76 -12.471 7.821 -5.963 1.00 0.00 H new ATOM 0 HA GLU A 76 -11.830 9.804 -3.982 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -12.036 10.030 -6.564 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -13.768 10.066 -6.299 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -13.454 12.024 -4.764 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -11.743 12.010 -5.139 1.00 0.00 H new ATOM 1109 N ALA A 77 -13.780 9.590 -2.468 1.00 0.00 N ATOM 1110 CA ALA A 77 -14.929 9.615 -1.571 1.00 0.00 C ATOM 1111 C ALA A 77 -16.074 10.424 -2.170 1.00 0.00 C ATOM 1112 O ALA A 77 -17.215 9.965 -2.211 1.00 0.00 O ATOM 1113 CB ALA A 77 -14.530 10.183 -0.217 1.00 0.00 C ATOM 0 H ALA A 77 -12.881 9.724 -2.005 1.00 0.00 H new ATOM 0 HA ALA A 77 -15.275 8.590 -1.434 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -15.398 10.196 0.442 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -13.749 9.562 0.222 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -14.156 11.199 -0.344 1.00 0.00 H new ATOM 1119 N GLU A 78 -15.762 11.631 -2.632 1.00 0.00 N ATOM 1120 CA GLU A 78 -16.767 12.504 -3.227 1.00 0.00 C ATOM 1121 C GLU A 78 -17.184 11.995 -4.604 1.00 0.00 C ATOM 1122 O GLU A 78 -18.296 12.252 -5.062 1.00 0.00 O ATOM 1123 CB GLU A 78 -16.232 13.933 -3.339 1.00 0.00 C ATOM 1124 CG GLU A 78 -16.472 14.773 -2.096 1.00 0.00 C ATOM 1125 CD GLU A 78 -16.365 16.261 -2.367 1.00 0.00 C ATOM 1126 OE1 GLU A 78 -15.662 16.640 -3.327 1.00 0.00 O ATOM 1127 OE2 GLU A 78 -16.985 17.046 -1.619 1.00 0.00 O ATOM 0 H GLU A 78 -14.822 12.026 -2.606 1.00 0.00 H new ATOM 0 HA GLU A 78 -17.643 12.502 -2.578 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -15.162 13.896 -3.541 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -16.701 14.421 -4.193 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -17.462 14.551 -1.697 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -15.749 14.494 -1.329 1.00 0.00 H new ATOM 1134 N GLY A 79 -16.280 11.273 -5.259 1.00 0.00 N ATOM 1135 CA GLY A 79 -16.571 10.740 -6.577 1.00 0.00 C ATOM 1136 C GLY A 79 -17.578 9.607 -6.536 1.00 0.00 C ATOM 1137 O GLY A 79 -18.540 9.593 -7.304 1.00 0.00 O ATOM 0 H GLY A 79 -15.352 11.048 -4.901 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -16.954 11.539 -7.212 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -15.647 10.384 -7.034 1.00 0.00 H new ATOM 1141 N VAL A 80 -17.357 8.654 -5.636 1.00 0.00 N ATOM 1142 CA VAL A 80 -18.252 7.511 -5.498 1.00 0.00 C ATOM 1143 C VAL A 80 -18.973 7.537 -4.155 1.00 0.00 C ATOM 1144 O VAL A 80 -18.568 6.885 -3.192 1.00 0.00 O ATOM 1145 CB VAL A 80 -17.488 6.180 -5.632 1.00 0.00 C ATOM 1146 CG1 VAL A 80 -18.435 5.002 -5.463 1.00 0.00 C ATOM 1147 CG2 VAL A 80 -16.771 6.111 -6.972 1.00 0.00 C ATOM 0 H VAL A 80 -16.566 8.651 -4.992 1.00 0.00 H new ATOM 0 HA VAL A 80 -18.984 7.584 -6.302 1.00 0.00 H new ATOM 0 HB VAL A 80 -16.739 6.129 -4.842 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -17.878 4.070 -5.561 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -18.898 5.046 -4.477 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -19.209 5.044 -6.230 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -16.236 5.164 -7.050 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -17.500 6.184 -7.779 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -16.062 6.935 -7.048 1.00 0.00 H new ATOM 1157 N PRO A 81 -20.068 8.309 -4.086 1.00 0.00 N ATOM 1158 CA PRO A 81 -20.870 8.438 -2.866 1.00 0.00 C ATOM 1159 C PRO A 81 -21.630 7.159 -2.533 1.00 0.00 C ATOM 1160 O PRO A 81 -22.053 6.956 -1.396 1.00 0.00 O ATOM 1161 CB PRO A 81 -21.845 9.569 -3.201 1.00 0.00 C ATOM 1162 CG PRO A 81 -21.955 9.547 -4.686 1.00 0.00 C ATOM 1163 CD PRO A 81 -20.608 9.114 -5.195 1.00 0.00 C ATOM 0 HA PRO A 81 -20.251 8.636 -1.991 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -22.815 9.408 -2.730 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -21.473 10.530 -2.846 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -22.734 8.857 -5.009 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -22.220 10.531 -5.072 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -20.693 8.530 -6.111 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -19.969 9.968 -5.420 1.00 0.00 H new ATOM 1171 N GLU A 82 -21.800 6.300 -3.534 1.00 0.00 N ATOM 1172 CA GLU A 82 -22.510 5.040 -3.346 1.00 0.00 C ATOM 1173 C GLU A 82 -21.767 4.138 -2.365 1.00 0.00 C ATOM 1174 O GLU A 82 -22.361 3.587 -1.438 1.00 0.00 O ATOM 1175 CB GLU A 82 -22.684 4.322 -4.686 1.00 0.00 C ATOM 1176 CG GLU A 82 -23.471 3.027 -4.584 1.00 0.00 C ATOM 1177 CD GLU A 82 -24.970 3.252 -4.604 1.00 0.00 C ATOM 1178 OE1 GLU A 82 -25.484 3.906 -3.673 1.00 0.00 O ATOM 1179 OE2 GLU A 82 -25.629 2.774 -5.551 1.00 0.00 O ATOM 0 H GLU A 82 -21.456 6.454 -4.482 1.00 0.00 H new ATOM 0 HA GLU A 82 -23.493 5.265 -2.933 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -23.189 4.990 -5.384 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -21.701 4.108 -5.104 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -23.195 2.372 -5.411 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -23.197 2.511 -3.664 1.00 0.00 H new ATOM 1186 N VAL A 83 -20.463 3.990 -2.577 1.00 0.00 N ATOM 1187 CA VAL A 83 -19.637 3.155 -1.713 1.00 0.00 C ATOM 1188 C VAL A 83 -19.389 3.832 -0.369 1.00 0.00 C ATOM 1189 O VAL A 83 -19.753 3.302 0.681 1.00 0.00 O ATOM 1190 CB VAL A 83 -18.283 2.833 -2.371 1.00 0.00 C ATOM 1191 CG1 VAL A 83 -17.390 2.066 -1.408 1.00 0.00 C ATOM 1192 CG2 VAL A 83 -18.489 2.050 -3.658 1.00 0.00 C ATOM 0 H VAL A 83 -19.956 4.438 -3.340 1.00 0.00 H new ATOM 0 HA VAL A 83 -20.184 2.226 -1.553 1.00 0.00 H new ATOM 0 HB VAL A 83 -17.787 3.772 -2.619 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -16.438 1.847 -1.891 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -17.215 2.668 -0.516 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -17.877 1.132 -1.126 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -17.521 1.831 -4.110 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -19.006 1.116 -3.437 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -19.088 2.641 -4.351 1.00 0.00 H new ATOM 1202 N SER A 84 -18.767 5.006 -0.410 1.00 0.00 N ATOM 1203 CA SER A 84 -18.467 5.754 0.805 1.00 0.00 C ATOM 1204 C SER A 84 -19.598 5.618 1.820 1.00 0.00 C ATOM 1205 O SER A 84 -19.356 5.423 3.011 1.00 0.00 O ATOM 1206 CB SER A 84 -18.237 7.231 0.476 1.00 0.00 C ATOM 1207 OG SER A 84 -17.312 7.378 -0.588 1.00 0.00 O ATOM 0 H SER A 84 -18.461 5.459 -1.271 1.00 0.00 H new ATOM 0 HA SER A 84 -17.558 5.340 1.242 1.00 0.00 H new ATOM 0 HB2 SER A 84 -19.184 7.699 0.206 1.00 0.00 H new ATOM 0 HB3 SER A 84 -17.866 7.750 1.359 1.00 0.00 H new ATOM 0 HG SER A 84 -17.783 7.300 -1.444 1.00 0.00 H new ATOM 1213 N GLU A 85 -20.833 5.723 1.339 1.00 0.00 N ATOM 1214 CA GLU A 85 -22.001 5.613 2.205 1.00 0.00 C ATOM 1215 C GLU A 85 -22.111 4.209 2.793 1.00 0.00 C ATOM 1216 O GLU A 85 -22.340 4.042 3.991 1.00 0.00 O ATOM 1217 CB GLU A 85 -23.274 5.953 1.426 1.00 0.00 C ATOM 1218 CG GLU A 85 -24.476 6.223 2.315 1.00 0.00 C ATOM 1219 CD GLU A 85 -25.595 6.938 1.582 1.00 0.00 C ATOM 1220 OE1 GLU A 85 -25.553 8.183 1.505 1.00 0.00 O ATOM 1221 OE2 GLU A 85 -26.511 6.250 1.084 1.00 0.00 O ATOM 0 H GLU A 85 -21.050 5.884 0.355 1.00 0.00 H new ATOM 0 HA GLU A 85 -21.884 6.323 3.024 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -23.087 6.829 0.805 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -23.509 5.129 0.752 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -24.851 5.279 2.710 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -24.164 6.824 3.169 1.00 0.00 H new ATOM 1228 N LYS A 86 -21.948 3.203 1.941 1.00 0.00 N ATOM 1229 CA LYS A 86 -22.029 1.813 2.375 1.00 0.00 C ATOM 1230 C LYS A 86 -21.171 1.579 3.614 1.00 0.00 C ATOM 1231 O LYS A 86 -21.601 0.924 4.564 1.00 0.00 O ATOM 1232 CB LYS A 86 -21.581 0.879 1.248 1.00 0.00 C ATOM 1233 CG LYS A 86 -21.437 -0.570 1.679 1.00 0.00 C ATOM 1234 CD LYS A 86 -21.616 -1.521 0.508 1.00 0.00 C ATOM 1235 CE LYS A 86 -20.291 -1.816 -0.178 1.00 0.00 C ATOM 1236 NZ LYS A 86 -20.375 -3.017 -1.055 1.00 0.00 N ATOM 0 H LYS A 86 -21.759 3.324 0.946 1.00 0.00 H new ATOM 0 HA LYS A 86 -23.067 1.597 2.627 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -22.301 0.937 0.432 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -20.626 1.229 0.856 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -20.454 -0.722 2.125 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -22.175 -0.797 2.449 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -22.060 -2.452 0.859 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -22.311 -1.087 -0.211 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -19.990 -0.953 -0.772 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -19.518 -1.970 0.575 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -19.452 -3.184 -1.504 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -20.638 -3.846 -0.484 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -21.094 -2.861 -1.790 1.00 0.00 H new ATOM 1250 N TYR A 87 -19.957 2.118 3.598 1.00 0.00 N ATOM 1251 CA TYR A 87 -19.039 1.967 4.721 1.00 0.00 C ATOM 1252 C TYR A 87 -19.098 3.183 5.640 1.00 0.00 C ATOM 1253 O TYR A 87 -18.550 3.169 6.742 1.00 0.00 O ATOM 1254 CB TYR A 87 -17.610 1.766 4.214 1.00 0.00 C ATOM 1255 CG TYR A 87 -17.468 0.613 3.247 1.00 0.00 C ATOM 1256 CD1 TYR A 87 -18.025 0.673 1.975 1.00 0.00 C ATOM 1257 CD2 TYR A 87 -16.775 -0.538 3.604 1.00 0.00 C ATOM 1258 CE1 TYR A 87 -17.898 -0.378 1.089 1.00 0.00 C ATOM 1259 CE2 TYR A 87 -16.641 -1.594 2.723 1.00 0.00 C ATOM 1260 CZ TYR A 87 -17.205 -1.510 1.467 1.00 0.00 C ATOM 1261 OH TYR A 87 -17.075 -2.559 0.586 1.00 0.00 O ATOM 0 H TYR A 87 -19.586 2.663 2.820 1.00 0.00 H new ATOM 0 HA TYR A 87 -19.343 1.089 5.291 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -17.274 2.681 3.727 1.00 0.00 H new ATOM 0 HB3 TYR A 87 -16.951 1.598 5.066 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -18.567 1.558 1.674 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -16.334 -0.608 4.587 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -18.339 -0.315 0.105 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -16.098 -2.480 3.016 1.00 0.00 H new ATOM 0 HH TYR A 87 -16.558 -3.278 1.007 1.00 0.00 H new ATOM 1271 N GLU A 88 -19.767 4.235 5.178 1.00 0.00 N ATOM 1272 CA GLU A 88 -19.898 5.460 5.958 1.00 0.00 C ATOM 1273 C GLU A 88 -18.534 6.102 6.195 1.00 0.00 C ATOM 1274 O GLU A 88 -18.213 6.507 7.313 1.00 0.00 O ATOM 1275 CB GLU A 88 -20.576 5.167 7.298 1.00 0.00 C ATOM 1276 CG GLU A 88 -22.005 4.671 7.162 1.00 0.00 C ATOM 1277 CD GLU A 88 -22.773 4.736 8.468 1.00 0.00 C ATOM 1278 OE1 GLU A 88 -22.294 4.159 9.466 1.00 0.00 O ATOM 1279 OE2 GLU A 88 -23.852 5.364 8.492 1.00 0.00 O ATOM 0 H GLU A 88 -20.226 4.263 4.268 1.00 0.00 H new ATOM 0 HA GLU A 88 -20.515 6.157 5.392 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -19.991 4.421 7.836 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -20.571 6.073 7.904 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -22.522 5.268 6.411 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -21.996 3.642 6.801 1.00 0.00 H new ATOM 1286 N ILE A 89 -17.736 6.191 5.136 1.00 0.00 N ATOM 1287 CA ILE A 89 -16.408 6.784 5.229 1.00 0.00 C ATOM 1288 C ILE A 89 -16.473 8.301 5.097 1.00 0.00 C ATOM 1289 O ILE A 89 -16.282 8.849 4.011 1.00 0.00 O ATOM 1290 CB ILE A 89 -15.466 6.225 4.146 1.00 0.00 C ATOM 1291 CG1 ILE A 89 -15.260 4.722 4.343 1.00 0.00 C ATOM 1292 CG2 ILE A 89 -14.132 6.957 4.176 1.00 0.00 C ATOM 1293 CD1 ILE A 89 -14.403 4.382 5.543 1.00 0.00 C ATOM 0 H ILE A 89 -17.986 5.860 4.204 1.00 0.00 H new ATOM 0 HA ILE A 89 -16.014 6.524 6.212 1.00 0.00 H new ATOM 0 HB ILE A 89 -15.924 6.384 3.170 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -16.232 4.241 4.453 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -14.798 4.306 3.447 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -13.477 6.551 3.405 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -14.295 8.019 3.991 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -13.667 6.826 5.153 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -14.299 3.300 5.621 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -13.418 4.833 5.426 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -14.874 4.768 6.447 1.00 0.00 H new ATOM 1305 N SER A 90 -16.742 8.976 6.211 1.00 0.00 N ATOM 1306 CA SER A 90 -16.834 10.431 6.220 1.00 0.00 C ATOM 1307 C SER A 90 -15.555 11.053 6.772 1.00 0.00 C ATOM 1308 O SER A 90 -15.599 12.032 7.516 1.00 0.00 O ATOM 1309 CB SER A 90 -18.035 10.882 7.054 1.00 0.00 C ATOM 1310 OG SER A 90 -19.228 10.848 6.290 1.00 0.00 O ATOM 0 H SER A 90 -16.900 8.538 7.118 1.00 0.00 H new ATOM 0 HA SER A 90 -16.967 10.768 5.192 1.00 0.00 H new ATOM 0 HB2 SER A 90 -18.139 10.236 7.926 1.00 0.00 H new ATOM 0 HB3 SER A 90 -17.865 11.893 7.425 1.00 0.00 H new ATOM 0 HG SER A 90 -19.981 11.139 6.846 1.00 0.00 H new ATOM 1316 N SER A 91 -14.416 10.476 6.401 1.00 0.00 N ATOM 1317 CA SER A 91 -13.124 10.970 6.861 1.00 0.00 C ATOM 1318 C SER A 91 -12.003 10.504 5.936 1.00 0.00 C ATOM 1319 O SER A 91 -12.015 9.374 5.448 1.00 0.00 O ATOM 1320 CB SER A 91 -12.851 10.495 8.289 1.00 0.00 C ATOM 1321 OG SER A 91 -13.386 11.401 9.239 1.00 0.00 O ATOM 0 H SER A 91 -14.362 9.666 5.783 1.00 0.00 H new ATOM 0 HA SER A 91 -13.154 12.059 6.847 1.00 0.00 H new ATOM 0 HB2 SER A 91 -13.288 9.508 8.437 1.00 0.00 H new ATOM 0 HB3 SER A 91 -11.777 10.394 8.443 1.00 0.00 H new ATOM 0 HG SER A 91 -14.174 11.844 8.861 1.00 0.00 H new ATOM 1327 N VAL A 92 -11.036 11.384 5.698 1.00 0.00 N ATOM 1328 CA VAL A 92 -9.907 11.065 4.833 1.00 0.00 C ATOM 1329 C VAL A 92 -8.628 11.729 5.330 1.00 0.00 C ATOM 1330 O VAL A 92 -8.653 12.786 5.961 1.00 0.00 O ATOM 1331 CB VAL A 92 -10.170 11.506 3.381 1.00 0.00 C ATOM 1332 CG1 VAL A 92 -11.305 10.696 2.774 1.00 0.00 C ATOM 1333 CG2 VAL A 92 -10.477 12.995 3.324 1.00 0.00 C ATOM 0 H VAL A 92 -11.012 12.324 6.093 1.00 0.00 H new ATOM 0 HA VAL A 92 -9.785 9.982 4.860 1.00 0.00 H new ATOM 0 HB VAL A 92 -9.270 11.321 2.795 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -11.476 11.022 1.748 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -11.041 9.639 2.780 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -12.213 10.846 3.359 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -10.660 13.289 2.291 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -11.362 13.207 3.924 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -9.629 13.557 3.716 1.00 0.00 H new ATOM 1343 N PRO A 93 -7.481 11.097 5.040 1.00 0.00 N ATOM 1344 CA PRO A 93 -7.440 9.838 4.290 1.00 0.00 C ATOM 1345 C PRO A 93 -7.997 8.667 5.092 1.00 0.00 C ATOM 1346 O PRO A 93 -8.166 8.757 6.308 1.00 0.00 O ATOM 1347 CB PRO A 93 -5.947 9.637 4.017 1.00 0.00 C ATOM 1348 CG PRO A 93 -5.259 10.382 5.108 1.00 0.00 C ATOM 1349 CD PRO A 93 -6.137 11.561 5.422 1.00 0.00 C ATOM 0 HA PRO A 93 -8.051 9.881 3.388 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -5.681 8.580 4.030 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -5.668 10.024 3.037 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -5.124 9.751 5.987 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -4.267 10.707 4.793 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -6.089 11.828 6.478 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -5.841 12.444 4.856 1.00 0.00 H new ATOM 1357 N THR A 94 -8.281 7.566 4.403 1.00 0.00 N ATOM 1358 CA THR A 94 -8.820 6.376 5.051 1.00 0.00 C ATOM 1359 C THR A 94 -8.618 5.139 4.184 1.00 0.00 C ATOM 1360 O THR A 94 -9.200 5.021 3.106 1.00 0.00 O ATOM 1361 CB THR A 94 -10.322 6.535 5.356 1.00 0.00 C ATOM 1362 OG1 THR A 94 -10.513 7.532 6.366 1.00 0.00 O ATOM 1363 CG2 THR A 94 -10.922 5.216 5.818 1.00 0.00 C ATOM 0 H THR A 94 -8.147 7.474 3.396 1.00 0.00 H new ATOM 0 HA THR A 94 -8.277 6.252 5.988 1.00 0.00 H new ATOM 0 HB THR A 94 -10.826 6.844 4.441 1.00 0.00 H new ATOM 0 HG1 THR A 94 -10.787 8.374 5.947 1.00 0.00 H new ATOM 0 HG21 THR A 94 -11.983 5.352 6.028 1.00 0.00 H new ATOM 0 HG22 THR A 94 -10.800 4.467 5.036 1.00 0.00 H new ATOM 0 HG23 THR A 94 -10.414 4.882 6.722 1.00 0.00 H new ATOM 1371 N PHE A 95 -7.788 4.217 4.662 1.00 0.00 N ATOM 1372 CA PHE A 95 -7.509 2.987 3.930 1.00 0.00 C ATOM 1373 C PHE A 95 -8.408 1.852 4.411 1.00 0.00 C ATOM 1374 O PHE A 95 -8.701 1.738 5.602 1.00 0.00 O ATOM 1375 CB PHE A 95 -6.039 2.593 4.095 1.00 0.00 C ATOM 1376 CG PHE A 95 -5.082 3.711 3.793 1.00 0.00 C ATOM 1377 CD1 PHE A 95 -4.831 4.698 4.733 1.00 0.00 C ATOM 1378 CD2 PHE A 95 -4.434 3.775 2.570 1.00 0.00 C ATOM 1379 CE1 PHE A 95 -3.951 5.728 4.459 1.00 0.00 C ATOM 1380 CE2 PHE A 95 -3.552 4.802 2.291 1.00 0.00 C ATOM 1381 CZ PHE A 95 -3.311 5.780 3.236 1.00 0.00 C ATOM 0 H PHE A 95 -7.297 4.299 5.553 1.00 0.00 H new ATOM 0 HA PHE A 95 -7.714 3.167 2.875 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -5.875 2.251 5.117 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -5.821 1.751 3.438 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -5.329 4.662 5.691 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -4.620 3.014 1.827 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -3.764 6.491 5.200 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -3.052 4.840 1.335 1.00 0.00 H new ATOM 0 HZ PHE A 95 -2.623 6.584 3.019 1.00 0.00 H new ATOM 1391 N LEU A 96 -8.843 1.014 3.477 1.00 0.00 N ATOM 1392 CA LEU A 96 -9.709 -0.114 3.803 1.00 0.00 C ATOM 1393 C LEU A 96 -9.157 -1.411 3.223 1.00 0.00 C ATOM 1394 O LEU A 96 -9.230 -1.645 2.016 1.00 0.00 O ATOM 1395 CB LEU A 96 -11.123 0.134 3.274 1.00 0.00 C ATOM 1396 CG LEU A 96 -12.032 0.985 4.161 1.00 0.00 C ATOM 1397 CD1 LEU A 96 -13.345 1.280 3.452 1.00 0.00 C ATOM 1398 CD2 LEU A 96 -12.286 0.287 5.489 1.00 0.00 C ATOM 0 H LEU A 96 -8.610 1.094 2.487 1.00 0.00 H new ATOM 0 HA LEU A 96 -9.745 -0.210 4.888 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -11.045 0.616 2.299 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -11.604 -0.831 3.115 1.00 0.00 H new ATOM 0 HG LEU A 96 -11.530 1.932 4.361 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -13.979 1.887 4.098 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -13.146 1.822 2.527 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -13.852 0.343 3.221 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -12.935 0.907 6.108 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -12.767 -0.674 5.309 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -11.338 0.128 6.003 1.00 0.00 H new ATOM 1410 N PHE A 97 -8.606 -2.254 4.090 1.00 0.00 N ATOM 1411 CA PHE A 97 -8.042 -3.530 3.664 1.00 0.00 C ATOM 1412 C PHE A 97 -9.142 -4.565 3.447 1.00 0.00 C ATOM 1413 O PHE A 97 -9.897 -4.886 4.365 1.00 0.00 O ATOM 1414 CB PHE A 97 -7.041 -4.041 4.702 1.00 0.00 C ATOM 1415 CG PHE A 97 -5.895 -3.101 4.944 1.00 0.00 C ATOM 1416 CD1 PHE A 97 -4.758 -3.155 4.154 1.00 0.00 C ATOM 1417 CD2 PHE A 97 -5.956 -2.162 5.961 1.00 0.00 C ATOM 1418 CE1 PHE A 97 -3.702 -2.292 4.376 1.00 0.00 C ATOM 1419 CE2 PHE A 97 -4.903 -1.295 6.187 1.00 0.00 C ATOM 1420 CZ PHE A 97 -3.775 -1.359 5.393 1.00 0.00 C ATOM 0 H PHE A 97 -8.538 -2.077 5.092 1.00 0.00 H new ATOM 0 HA PHE A 97 -7.524 -3.373 2.718 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -7.563 -4.215 5.643 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -6.648 -5.003 4.373 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -4.696 -3.880 3.356 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -6.836 -2.107 6.584 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -2.820 -2.347 3.755 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -4.963 -0.568 6.984 1.00 0.00 H new ATOM 0 HZ PHE A 97 -2.952 -0.682 5.566 1.00 0.00 H new ATOM 1430 N PHE A 98 -9.225 -5.085 2.227 1.00 0.00 N ATOM 1431 CA PHE A 98 -10.233 -6.083 1.888 1.00 0.00 C ATOM 1432 C PHE A 98 -9.579 -7.368 1.388 1.00 0.00 C ATOM 1433 O PHE A 98 -8.899 -7.373 0.361 1.00 0.00 O ATOM 1434 CB PHE A 98 -11.186 -5.535 0.825 1.00 0.00 C ATOM 1435 CG PHE A 98 -12.014 -4.376 1.301 1.00 0.00 C ATOM 1436 CD1 PHE A 98 -13.008 -4.560 2.248 1.00 0.00 C ATOM 1437 CD2 PHE A 98 -11.797 -3.102 0.802 1.00 0.00 C ATOM 1438 CE1 PHE A 98 -13.771 -3.495 2.690 1.00 0.00 C ATOM 1439 CE2 PHE A 98 -12.557 -2.033 1.240 1.00 0.00 C ATOM 1440 CZ PHE A 98 -13.545 -2.230 2.184 1.00 0.00 C ATOM 0 H PHE A 98 -8.606 -4.832 1.457 1.00 0.00 H new ATOM 0 HA PHE A 98 -10.800 -6.312 2.790 1.00 0.00 H new ATOM 0 HB2 PHE A 98 -10.607 -5.224 -0.045 1.00 0.00 H new ATOM 0 HB3 PHE A 98 -11.850 -6.335 0.497 1.00 0.00 H new ATOM 0 HD1 PHE A 98 -13.189 -5.547 2.646 1.00 0.00 H new ATOM 0 HD2 PHE A 98 -11.026 -2.942 0.063 1.00 0.00 H new ATOM 0 HE1 PHE A 98 -14.542 -3.652 3.430 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -12.378 -1.044 0.844 1.00 0.00 H new ATOM 0 HZ PHE A 98 -14.140 -1.396 2.526 1.00 0.00 H new ATOM 1450 N LYS A 99 -9.788 -8.456 2.121 1.00 0.00 N ATOM 1451 CA LYS A 99 -9.221 -9.748 1.754 1.00 0.00 C ATOM 1452 C LYS A 99 -10.317 -10.727 1.346 1.00 0.00 C ATOM 1453 O LYS A 99 -11.274 -10.946 2.087 1.00 0.00 O ATOM 1454 CB LYS A 99 -8.416 -10.325 2.921 1.00 0.00 C ATOM 1455 CG LYS A 99 -7.016 -9.748 3.038 1.00 0.00 C ATOM 1456 CD LYS A 99 -5.994 -10.615 2.321 1.00 0.00 C ATOM 1457 CE LYS A 99 -4.636 -10.556 3.004 1.00 0.00 C ATOM 1458 NZ LYS A 99 -4.625 -11.321 4.282 1.00 0.00 N ATOM 0 H LYS A 99 -10.347 -8.469 2.974 1.00 0.00 H new ATOM 0 HA LYS A 99 -8.558 -9.597 0.902 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -8.955 -10.140 3.850 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -8.346 -11.406 2.803 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -7.000 -8.742 2.618 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -6.745 -9.659 4.090 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -6.345 -11.647 2.295 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -5.897 -10.285 1.287 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -3.875 -10.956 2.334 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -4.373 -9.517 3.200 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -3.643 -11.459 4.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -5.149 -10.792 5.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -5.075 -12.247 4.136 1.00 0.00 H new ATOM 1472 N ASN A 100 -10.169 -11.313 0.162 1.00 0.00 N ATOM 1473 CA ASN A 100 -11.147 -12.270 -0.344 1.00 0.00 C ATOM 1474 C ASN A 100 -12.556 -11.687 -0.294 1.00 0.00 C ATOM 1475 O ASN A 100 -13.519 -12.389 0.012 1.00 0.00 O ATOM 1476 CB ASN A 100 -11.090 -13.566 0.468 1.00 0.00 C ATOM 1477 CG ASN A 100 -10.116 -14.571 -0.115 1.00 0.00 C ATOM 1478 OD1 ASN A 100 -8.933 -14.276 -0.291 1.00 0.00 O ATOM 1479 ND2 ASN A 100 -10.609 -15.766 -0.418 1.00 0.00 N ATOM 0 H ASN A 100 -9.382 -11.142 -0.464 1.00 0.00 H new ATOM 0 HA ASN A 100 -10.901 -12.488 -1.383 1.00 0.00 H new ATOM 0 HB2 ASN A 100 -10.801 -13.337 1.494 1.00 0.00 H new ATOM 0 HB3 ASN A 100 -12.085 -14.010 0.509 1.00 0.00 H new ATOM 0 HD21 ASN A 100 -10.001 -16.483 -0.813 1.00 0.00 H new ATOM 0 HD22 ASN A 100 -11.596 -15.967 -0.255 1.00 0.00 H new ATOM 1486 N SER A 101 -12.667 -10.397 -0.597 1.00 0.00 N ATOM 1487 CA SER A 101 -13.957 -9.718 -0.583 1.00 0.00 C ATOM 1488 C SER A 101 -14.506 -9.622 0.837 1.00 0.00 C ATOM 1489 O SER A 101 -15.714 -9.719 1.054 1.00 0.00 O ATOM 1490 CB SER A 101 -14.955 -10.454 -1.480 1.00 0.00 C ATOM 1491 OG SER A 101 -16.159 -9.720 -1.614 1.00 0.00 O ATOM 0 H SER A 101 -11.880 -9.802 -0.855 1.00 0.00 H new ATOM 0 HA SER A 101 -13.812 -8.708 -0.966 1.00 0.00 H new ATOM 0 HB2 SER A 101 -14.513 -10.617 -2.463 1.00 0.00 H new ATOM 0 HB3 SER A 101 -15.170 -11.437 -1.060 1.00 0.00 H new ATOM 0 HG SER A 101 -16.461 -9.423 -0.730 1.00 0.00 H new ATOM 1497 N GLN A 102 -13.610 -9.432 1.799 1.00 0.00 N ATOM 1498 CA GLN A 102 -14.004 -9.324 3.199 1.00 0.00 C ATOM 1499 C GLN A 102 -13.004 -8.481 3.983 1.00 0.00 C ATOM 1500 O GLN A 102 -11.827 -8.829 4.085 1.00 0.00 O ATOM 1501 CB GLN A 102 -14.119 -10.714 3.827 1.00 0.00 C ATOM 1502 CG GLN A 102 -15.178 -11.590 3.176 1.00 0.00 C ATOM 1503 CD GLN A 102 -16.588 -11.135 3.494 1.00 0.00 C ATOM 1504 OE1 GLN A 102 -17.012 -10.055 3.083 1.00 0.00 O ATOM 1505 NE2 GLN A 102 -17.324 -11.959 4.231 1.00 0.00 N ATOM 0 H GLN A 102 -12.607 -9.350 1.635 1.00 0.00 H new ATOM 0 HA GLN A 102 -14.976 -8.833 3.239 1.00 0.00 H new ATOM 0 HB2 GLN A 102 -13.153 -11.215 3.760 1.00 0.00 H new ATOM 0 HB3 GLN A 102 -14.349 -10.607 4.887 1.00 0.00 H new ATOM 0 HG2 GLN A 102 -15.034 -11.585 2.096 1.00 0.00 H new ATOM 0 HG3 GLN A 102 -15.048 -12.619 3.510 1.00 0.00 H new ATOM 0 HE21 GLN A 102 -16.932 -12.845 4.551 1.00 0.00 H new ATOM 0 HE22 GLN A 102 -18.281 -11.706 4.477 1.00 0.00 H new ATOM 1514 N LYS A 103 -13.479 -7.370 4.535 1.00 0.00 N ATOM 1515 CA LYS A 103 -12.628 -6.476 5.311 1.00 0.00 C ATOM 1516 C LYS A 103 -12.054 -7.192 6.529 1.00 0.00 C ATOM 1517 O LYS A 103 -12.769 -7.901 7.238 1.00 0.00 O ATOM 1518 CB LYS A 103 -13.420 -5.244 5.757 1.00 0.00 C ATOM 1519 CG LYS A 103 -12.546 -4.113 6.270 1.00 0.00 C ATOM 1520 CD LYS A 103 -13.357 -2.853 6.525 1.00 0.00 C ATOM 1521 CE LYS A 103 -14.335 -3.042 7.674 1.00 0.00 C ATOM 1522 NZ LYS A 103 -15.315 -1.924 7.758 1.00 0.00 N ATOM 0 H LYS A 103 -14.450 -7.067 4.459 1.00 0.00 H new ATOM 0 HA LYS A 103 -11.802 -6.159 4.675 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -14.014 -4.881 4.918 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -14.119 -5.536 6.541 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -12.053 -4.422 7.192 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -11.761 -3.901 5.544 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -12.684 -2.026 6.751 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -13.903 -2.582 5.622 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -14.869 -3.984 7.545 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -13.784 -3.113 8.612 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -15.964 -2.090 8.554 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -14.808 -1.028 7.906 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -15.859 -1.872 6.873 1.00 0.00 H new ATOM 1536 N ILE A 104 -10.761 -7.002 6.767 1.00 0.00 N ATOM 1537 CA ILE A 104 -10.092 -7.628 7.901 1.00 0.00 C ATOM 1538 C ILE A 104 -9.430 -6.584 8.793 1.00 0.00 C ATOM 1539 O ILE A 104 -9.237 -6.807 9.989 1.00 0.00 O ATOM 1540 CB ILE A 104 -9.029 -8.641 7.438 1.00 0.00 C ATOM 1541 CG1 ILE A 104 -7.923 -7.931 6.654 1.00 0.00 C ATOM 1542 CG2 ILE A 104 -9.669 -9.732 6.592 1.00 0.00 C ATOM 1543 CD1 ILE A 104 -6.576 -8.611 6.759 1.00 0.00 C ATOM 0 H ILE A 104 -10.155 -6.419 6.189 1.00 0.00 H new ATOM 0 HA ILE A 104 -10.859 -8.154 8.470 1.00 0.00 H new ATOM 0 HB ILE A 104 -8.584 -9.105 8.318 1.00 0.00 H new ATOM 0 HG12 ILE A 104 -8.212 -7.875 5.604 1.00 0.00 H new ATOM 0 HG13 ILE A 104 -7.833 -6.907 7.015 1.00 0.00 H new ATOM 0 HG21 ILE A 104 -8.904 -10.440 6.272 1.00 0.00 H new ATOM 0 HG22 ILE A 104 -10.423 -10.254 7.181 1.00 0.00 H new ATOM 0 HG23 ILE A 104 -10.138 -9.285 5.716 1.00 0.00 H new ATOM 0 HD11 ILE A 104 -5.841 -8.053 6.179 1.00 0.00 H new ATOM 0 HD12 ILE A 104 -6.265 -8.644 7.803 1.00 0.00 H new ATOM 0 HD13 ILE A 104 -6.650 -9.627 6.370 1.00 0.00 H new ATOM 1555 N ASP A 105 -9.084 -5.444 8.205 1.00 0.00 N ATOM 1556 CA ASP A 105 -8.445 -4.364 8.947 1.00 0.00 C ATOM 1557 C ASP A 105 -8.760 -3.011 8.316 1.00 0.00 C ATOM 1558 O ASP A 105 -9.367 -2.940 7.247 1.00 0.00 O ATOM 1559 CB ASP A 105 -6.932 -4.577 8.999 1.00 0.00 C ATOM 1560 CG ASP A 105 -6.275 -3.797 10.121 1.00 0.00 C ATOM 1561 OD1 ASP A 105 -6.297 -4.281 11.271 1.00 0.00 O ATOM 1562 OD2 ASP A 105 -5.740 -2.701 9.848 1.00 0.00 O ATOM 0 H ASP A 105 -9.235 -5.244 7.216 1.00 0.00 H new ATOM 0 HA ASP A 105 -8.839 -4.372 9.963 1.00 0.00 H new ATOM 0 HB2 ASP A 105 -6.722 -5.639 9.127 1.00 0.00 H new ATOM 0 HB3 ASP A 105 -6.493 -4.278 8.047 1.00 0.00 H new ATOM 1567 N ARG A 106 -8.344 -1.940 8.985 1.00 0.00 N ATOM 1568 CA ARG A 106 -8.583 -0.590 8.490 1.00 0.00 C ATOM 1569 C ARG A 106 -7.650 0.410 9.168 1.00 0.00 C ATOM 1570 O ARG A 106 -7.436 0.353 10.379 1.00 0.00 O ATOM 1571 CB ARG A 106 -10.040 -0.187 8.729 1.00 0.00 C ATOM 1572 CG ARG A 106 -10.320 1.279 8.444 1.00 0.00 C ATOM 1573 CD ARG A 106 -11.447 1.810 9.317 1.00 0.00 C ATOM 1574 NE ARG A 106 -12.058 3.010 8.752 1.00 0.00 N ATOM 1575 CZ ARG A 106 -13.276 3.434 9.070 1.00 0.00 C ATOM 1576 NH1 ARG A 106 -14.009 2.759 9.944 1.00 0.00 N ATOM 1577 NH2 ARG A 106 -13.763 4.536 8.513 1.00 0.00 N ATOM 0 H ARG A 106 -7.840 -1.982 9.871 1.00 0.00 H new ATOM 0 HA ARG A 106 -8.381 -0.581 7.419 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -10.686 -0.800 8.101 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -10.303 -0.404 9.764 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -9.417 1.864 8.618 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -10.583 1.403 7.393 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -12.207 1.038 9.437 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -11.061 2.034 10.311 1.00 0.00 H new ATOM 0 HE ARG A 106 -11.520 3.552 8.076 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -13.638 1.912 10.374 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -14.944 3.087 10.186 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -13.202 5.058 7.840 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -14.698 4.861 8.758 1.00 0.00 H new ATOM 1591 N LEU A 107 -7.099 1.325 8.378 1.00 0.00 N ATOM 1592 CA LEU A 107 -6.188 2.338 8.901 1.00 0.00 C ATOM 1593 C LEU A 107 -6.854 3.710 8.921 1.00 0.00 C ATOM 1594 O LEU A 107 -7.148 4.284 7.873 1.00 0.00 O ATOM 1595 CB LEU A 107 -4.913 2.390 8.057 1.00 0.00 C ATOM 1596 CG LEU A 107 -3.638 2.800 8.794 1.00 0.00 C ATOM 1597 CD1 LEU A 107 -2.434 2.707 7.869 1.00 0.00 C ATOM 1598 CD2 LEU A 107 -3.774 4.209 9.354 1.00 0.00 C ATOM 0 H LEU A 107 -7.267 1.387 7.374 1.00 0.00 H new ATOM 0 HA LEU A 107 -5.929 2.065 9.924 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -4.753 1.407 7.615 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -5.074 3.087 7.234 1.00 0.00 H new ATOM 0 HG LEU A 107 -3.486 2.113 9.626 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -1.535 3.003 8.411 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -2.324 1.681 7.516 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -2.578 3.370 7.016 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -2.857 4.483 9.875 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -3.951 4.909 8.538 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -4.612 4.244 10.051 1.00 0.00 H new ATOM 1610 N ASP A 108 -7.088 4.231 10.121 1.00 0.00 N ATOM 1611 CA ASP A 108 -7.716 5.537 10.279 1.00 0.00 C ATOM 1612 C ASP A 108 -6.665 6.628 10.456 1.00 0.00 C ATOM 1613 O ASP A 108 -5.764 6.506 11.285 1.00 0.00 O ATOM 1614 CB ASP A 108 -8.667 5.528 11.476 1.00 0.00 C ATOM 1615 CG ASP A 108 -8.016 4.975 12.729 1.00 0.00 C ATOM 1616 OD1 ASP A 108 -7.244 5.715 13.373 1.00 0.00 O ATOM 1617 OD2 ASP A 108 -8.280 3.802 13.065 1.00 0.00 O ATOM 0 H ASP A 108 -6.852 3.768 10.999 1.00 0.00 H new ATOM 0 HA ASP A 108 -8.286 5.750 9.374 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -9.014 6.543 11.668 1.00 0.00 H new ATOM 0 HB3 ASP A 108 -9.546 4.931 11.233 1.00 0.00 H new ATOM 1622 N GLY A 109 -6.786 7.694 9.671 1.00 0.00 N ATOM 1623 CA GLY A 109 -5.839 8.790 9.757 1.00 0.00 C ATOM 1624 C GLY A 109 -4.660 8.611 8.821 1.00 0.00 C ATOM 1625 O GLY A 109 -4.266 7.486 8.516 1.00 0.00 O ATOM 0 H GLY A 109 -7.523 7.818 8.977 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -6.347 9.725 9.522 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -5.476 8.874 10.782 1.00 0.00 H new ATOM 1629 N ALA A 110 -4.096 9.724 8.364 1.00 0.00 N ATOM 1630 CA ALA A 110 -2.954 9.685 7.458 1.00 0.00 C ATOM 1631 C ALA A 110 -1.703 9.185 8.172 1.00 0.00 C ATOM 1632 O ALA A 110 -1.322 9.709 9.219 1.00 0.00 O ATOM 1633 CB ALA A 110 -2.707 11.063 6.860 1.00 0.00 C ATOM 0 H ALA A 110 -4.411 10.664 8.606 1.00 0.00 H new ATOM 0 HA ALA A 110 -3.185 8.987 6.653 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -1.852 11.019 6.186 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -3.590 11.383 6.306 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -2.503 11.775 7.659 1.00 0.00 H new ATOM 1639 N HIS A 111 -1.068 8.167 7.600 1.00 0.00 N ATOM 1640 CA HIS A 111 0.140 7.595 8.182 1.00 0.00 C ATOM 1641 C HIS A 111 1.012 6.955 7.106 1.00 0.00 C ATOM 1642 O HIS A 111 0.603 5.997 6.451 1.00 0.00 O ATOM 1643 CB HIS A 111 -0.222 6.558 9.245 1.00 0.00 C ATOM 1644 CG HIS A 111 -0.974 7.129 10.408 1.00 0.00 C ATOM 1645 ND1 HIS A 111 -2.245 6.925 10.826 1.00 0.00 N flip ATOM 1646 CD2 HIS A 111 -0.420 8.028 11.294 1.00 0.00 C flip ATOM 1647 CE1 HIS A 111 -2.433 7.696 11.947 1.00 0.00 C flip ATOM 1648 NE2 HIS A 111 -1.317 8.352 12.208 1.00 0.00 N flip ATOM 0 H HIS A 111 -1.370 7.721 6.734 1.00 0.00 H new ATOM 0 HA HIS A 111 0.705 8.402 8.650 1.00 0.00 H new ATOM 0 HB2 HIS A 111 -0.822 5.773 8.785 1.00 0.00 H new ATOM 0 HB3 HIS A 111 0.692 6.089 9.609 1.00 0.00 H new ATOM 0 HD2 HIS A 111 0.590 8.408 11.248 1.00 0.00 H new ATOM 0 HE1 HIS A 111 -3.345 7.756 12.522 1.00 0.00 H new ATOM 0 HE2 HIS A 111 -1.172 8.999 12.983 1.00 0.00 H new ATOM 1657 N ALA A 112 2.215 7.491 6.929 1.00 0.00 N ATOM 1658 CA ALA A 112 3.144 6.971 5.933 1.00 0.00 C ATOM 1659 C ALA A 112 3.706 5.620 6.360 1.00 0.00 C ATOM 1660 O ALA A 112 3.564 4.614 5.665 1.00 0.00 O ATOM 1661 CB ALA A 112 4.273 7.964 5.696 1.00 0.00 C ATOM 0 H ALA A 112 2.569 8.285 7.462 1.00 0.00 H new ATOM 0 HA ALA A 112 2.598 6.829 5.001 1.00 0.00 H new ATOM 0 HB1 ALA A 112 4.959 7.563 4.950 1.00 0.00 H new ATOM 0 HB2 ALA A 112 3.859 8.907 5.339 1.00 0.00 H new ATOM 0 HB3 ALA A 112 4.810 8.134 6.629 1.00 0.00 H new ATOM 1667 N PRO A 113 4.362 5.593 7.530 1.00 0.00 N ATOM 1668 CA PRO A 113 4.959 4.371 8.075 1.00 0.00 C ATOM 1669 C PRO A 113 3.907 3.365 8.530 1.00 0.00 C ATOM 1670 O PRO A 113 4.036 2.166 8.285 1.00 0.00 O ATOM 1671 CB PRO A 113 5.769 4.875 9.272 1.00 0.00 C ATOM 1672 CG PRO A 113 5.097 6.141 9.678 1.00 0.00 C ATOM 1673 CD PRO A 113 4.570 6.755 8.411 1.00 0.00 C ATOM 0 HA PRO A 113 5.555 3.842 7.331 1.00 0.00 H new ATOM 0 HB2 PRO A 113 5.769 4.148 10.084 1.00 0.00 H new ATOM 0 HB3 PRO A 113 6.810 5.049 9.000 1.00 0.00 H new ATOM 0 HG2 PRO A 113 4.289 5.945 10.382 1.00 0.00 H new ATOM 0 HG3 PRO A 113 5.797 6.812 10.175 1.00 0.00 H new ATOM 0 HD2 PRO A 113 3.642 7.299 8.584 1.00 0.00 H new ATOM 0 HD3 PRO A 113 5.279 7.463 7.982 1.00 0.00 H new ATOM 1681 N GLU A 114 2.867 3.861 9.192 1.00 0.00 N ATOM 1682 CA GLU A 114 1.793 3.004 9.681 1.00 0.00 C ATOM 1683 C GLU A 114 1.147 2.234 8.533 1.00 0.00 C ATOM 1684 O GLU A 114 0.801 1.060 8.675 1.00 0.00 O ATOM 1685 CB GLU A 114 0.737 3.837 10.410 1.00 0.00 C ATOM 1686 CG GLU A 114 -0.032 3.058 11.463 1.00 0.00 C ATOM 1687 CD GLU A 114 0.657 3.066 12.814 1.00 0.00 C ATOM 1688 OE1 GLU A 114 1.905 3.075 12.843 1.00 0.00 O ATOM 1689 OE2 GLU A 114 -0.053 3.063 13.841 1.00 0.00 O ATOM 0 H GLU A 114 2.745 4.852 9.402 1.00 0.00 H new ATOM 0 HA GLU A 114 2.224 2.287 10.380 1.00 0.00 H new ATOM 0 HB2 GLU A 114 1.223 4.690 10.884 1.00 0.00 H new ATOM 0 HB3 GLU A 114 0.033 4.236 9.679 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -1.031 3.482 11.566 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -0.156 2.028 11.129 1.00 0.00 H new ATOM 1696 N LEU A 115 0.987 2.902 7.397 1.00 0.00 N ATOM 1697 CA LEU A 115 0.381 2.282 6.223 1.00 0.00 C ATOM 1698 C LEU A 115 1.171 1.051 5.789 1.00 0.00 C ATOM 1699 O LEU A 115 0.616 -0.040 5.652 1.00 0.00 O ATOM 1700 CB LEU A 115 0.307 3.287 5.072 1.00 0.00 C ATOM 1701 CG LEU A 115 -0.385 2.799 3.799 1.00 0.00 C ATOM 1702 CD1 LEU A 115 -1.882 2.660 4.025 1.00 0.00 C ATOM 1703 CD2 LEU A 115 -0.105 3.748 2.642 1.00 0.00 C ATOM 0 H LEU A 115 1.268 3.873 7.263 1.00 0.00 H new ATOM 0 HA LEU A 115 -0.629 1.968 6.488 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -0.213 4.177 5.426 1.00 0.00 H new ATOM 0 HB3 LEU A 115 1.322 3.592 4.816 1.00 0.00 H new ATOM 0 HG LEU A 115 0.016 1.818 3.544 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -2.358 2.312 3.108 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -2.064 1.941 4.824 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -2.299 3.627 4.305 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -0.605 3.385 1.744 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -0.478 4.742 2.888 1.00 0.00 H new ATOM 0 HD23 LEU A 115 0.969 3.797 2.464 1.00 0.00 H new ATOM 1715 N THR A 116 2.470 1.233 5.576 1.00 0.00 N ATOM 1716 CA THR A 116 3.337 0.138 5.159 1.00 0.00 C ATOM 1717 C THR A 116 3.246 -1.035 6.129 1.00 0.00 C ATOM 1718 O THR A 116 3.020 -2.174 5.722 1.00 0.00 O ATOM 1719 CB THR A 116 4.805 0.592 5.056 1.00 0.00 C ATOM 1720 OG1 THR A 116 4.922 1.663 4.113 1.00 0.00 O ATOM 1721 CG2 THR A 116 5.700 -0.563 4.632 1.00 0.00 C ATOM 0 H THR A 116 2.945 2.129 5.685 1.00 0.00 H new ATOM 0 HA THR A 116 2.993 -0.180 4.175 1.00 0.00 H new ATOM 0 HB THR A 116 5.125 0.937 6.039 1.00 0.00 H new ATOM 0 HG1 THR A 116 5.858 1.947 4.055 1.00 0.00 H new ATOM 0 HG21 THR A 116 6.732 -0.218 4.566 1.00 0.00 H new ATOM 0 HG22 THR A 116 5.632 -1.365 5.367 1.00 0.00 H new ATOM 0 HG23 THR A 116 5.379 -0.934 3.659 1.00 0.00 H new ATOM 1729 N LYS A 117 3.424 -0.749 7.414 1.00 0.00 N ATOM 1730 CA LYS A 117 3.360 -1.779 8.444 1.00 0.00 C ATOM 1731 C LYS A 117 2.169 -2.704 8.215 1.00 0.00 C ATOM 1732 O LYS A 117 2.333 -3.911 8.032 1.00 0.00 O ATOM 1733 CB LYS A 117 3.262 -1.138 9.830 1.00 0.00 C ATOM 1734 CG LYS A 117 4.613 -0.835 10.457 1.00 0.00 C ATOM 1735 CD LYS A 117 4.498 -0.634 11.958 1.00 0.00 C ATOM 1736 CE LYS A 117 3.937 0.739 12.295 1.00 0.00 C ATOM 1737 NZ LYS A 117 5.001 1.781 12.327 1.00 0.00 N ATOM 0 H LYS A 117 3.614 0.189 7.767 1.00 0.00 H new ATOM 0 HA LYS A 117 4.274 -2.371 8.388 1.00 0.00 H new ATOM 0 HB2 LYS A 117 2.691 -0.213 9.754 1.00 0.00 H new ATOM 0 HB3 LYS A 117 2.705 -1.803 10.490 1.00 0.00 H new ATOM 0 HG2 LYS A 117 5.303 -1.653 10.250 1.00 0.00 H new ATOM 0 HG3 LYS A 117 5.035 0.060 10.000 1.00 0.00 H new ATOM 0 HD2 LYS A 117 3.854 -1.405 12.381 1.00 0.00 H new ATOM 0 HD3 LYS A 117 5.479 -0.750 12.418 1.00 0.00 H new ATOM 0 HE2 LYS A 117 3.182 1.014 11.558 1.00 0.00 H new ATOM 0 HE3 LYS A 117 3.438 0.700 13.263 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 4.578 2.702 12.560 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 5.709 1.533 13.048 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 5.460 1.837 11.396 1.00 0.00 H new ATOM 1751 N LYS A 118 0.970 -2.131 8.224 1.00 0.00 N ATOM 1752 CA LYS A 118 -0.249 -2.903 8.014 1.00 0.00 C ATOM 1753 C LYS A 118 -0.212 -3.624 6.670 1.00 0.00 C ATOM 1754 O LYS A 118 -0.535 -4.809 6.582 1.00 0.00 O ATOM 1755 CB LYS A 118 -1.474 -1.988 8.081 1.00 0.00 C ATOM 1756 CG LYS A 118 -1.881 -1.618 9.496 1.00 0.00 C ATOM 1757 CD LYS A 118 -2.830 -0.432 9.512 1.00 0.00 C ATOM 1758 CE LYS A 118 -3.200 -0.033 10.932 1.00 0.00 C ATOM 1759 NZ LYS A 118 -2.106 0.727 11.597 1.00 0.00 N ATOM 0 H LYS A 118 0.817 -1.134 8.375 1.00 0.00 H new ATOM 0 HA LYS A 118 -0.317 -3.650 8.805 1.00 0.00 H new ATOM 0 HB2 LYS A 118 -1.266 -1.076 7.522 1.00 0.00 H new ATOM 0 HB3 LYS A 118 -2.312 -2.481 7.588 1.00 0.00 H new ATOM 0 HG2 LYS A 118 -2.359 -2.474 9.973 1.00 0.00 H new ATOM 0 HG3 LYS A 118 -0.992 -1.382 10.081 1.00 0.00 H new ATOM 0 HD2 LYS A 118 -2.366 0.414 9.005 1.00 0.00 H new ATOM 0 HD3 LYS A 118 -3.734 -0.680 8.956 1.00 0.00 H new ATOM 0 HE2 LYS A 118 -4.105 0.574 10.915 1.00 0.00 H new ATOM 0 HE3 LYS A 118 -3.427 -0.927 11.513 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 -2.155 0.577 12.625 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 -1.187 0.395 11.242 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 -2.211 1.741 11.389 1.00 0.00 H new ATOM 1773 N VAL A 119 0.184 -2.902 5.627 1.00 0.00 N ATOM 1774 CA VAL A 119 0.266 -3.474 4.288 1.00 0.00 C ATOM 1775 C VAL A 119 1.086 -4.759 4.289 1.00 0.00 C ATOM 1776 O VAL A 119 0.577 -5.832 3.966 1.00 0.00 O ATOM 1777 CB VAL A 119 0.889 -2.480 3.290 1.00 0.00 C ATOM 1778 CG1 VAL A 119 1.043 -3.124 1.921 1.00 0.00 C ATOM 1779 CG2 VAL A 119 0.048 -1.216 3.203 1.00 0.00 C ATOM 0 H VAL A 119 0.453 -1.920 5.683 1.00 0.00 H new ATOM 0 HA VAL A 119 -0.754 -3.698 3.976 1.00 0.00 H new ATOM 0 HB VAL A 119 1.881 -2.205 3.648 1.00 0.00 H new ATOM 0 HG11 VAL A 119 1.485 -2.407 1.229 1.00 0.00 H new ATOM 0 HG12 VAL A 119 1.690 -3.997 2.001 1.00 0.00 H new ATOM 0 HG13 VAL A 119 0.065 -3.430 1.551 1.00 0.00 H new ATOM 0 HG21 VAL A 119 0.503 -0.525 2.493 1.00 0.00 H new ATOM 0 HG22 VAL A 119 -0.958 -1.470 2.868 1.00 0.00 H new ATOM 0 HG23 VAL A 119 -0.005 -0.746 4.185 1.00 0.00 H new ATOM 1789 N GLN A 120 2.359 -4.642 4.654 1.00 0.00 N ATOM 1790 CA GLN A 120 3.250 -5.795 4.697 1.00 0.00 C ATOM 1791 C GLN A 120 2.673 -6.897 5.580 1.00 0.00 C ATOM 1792 O GLN A 120 2.521 -8.039 5.145 1.00 0.00 O ATOM 1793 CB GLN A 120 4.629 -5.382 5.213 1.00 0.00 C ATOM 1794 CG GLN A 120 5.274 -4.271 4.400 1.00 0.00 C ATOM 1795 CD GLN A 120 6.120 -4.798 3.258 1.00 0.00 C ATOM 1796 OE1 GLN A 120 5.674 -5.639 2.477 1.00 0.00 O ATOM 1797 NE2 GLN A 120 7.349 -4.306 3.155 1.00 0.00 N ATOM 0 H GLN A 120 2.796 -3.761 4.924 1.00 0.00 H new ATOM 0 HA GLN A 120 3.350 -6.182 3.683 1.00 0.00 H new ATOM 0 HB2 GLN A 120 4.538 -5.057 6.249 1.00 0.00 H new ATOM 0 HB3 GLN A 120 5.285 -6.252 5.209 1.00 0.00 H new ATOM 0 HG2 GLN A 120 4.496 -3.620 4.000 1.00 0.00 H new ATOM 0 HG3 GLN A 120 5.895 -3.660 5.055 1.00 0.00 H new ATOM 0 HE21 GLN A 120 7.678 -3.610 3.825 1.00 0.00 H new ATOM 0 HE22 GLN A 120 7.964 -4.624 2.406 1.00 0.00 H new ATOM 1806 N ARG A 121 2.354 -6.547 6.821 1.00 0.00 N ATOM 1807 CA ARG A 121 1.796 -7.507 7.766 1.00 0.00 C ATOM 1808 C ARG A 121 0.657 -8.297 7.128 1.00 0.00 C ATOM 1809 O ARG A 121 0.683 -9.528 7.096 1.00 0.00 O ATOM 1810 CB ARG A 121 1.293 -6.788 9.019 1.00 0.00 C ATOM 1811 CG ARG A 121 0.659 -7.717 10.042 1.00 0.00 C ATOM 1812 CD ARG A 121 -0.201 -6.950 11.034 1.00 0.00 C ATOM 1813 NE ARG A 121 -0.938 -7.843 11.924 1.00 0.00 N ATOM 1814 CZ ARG A 121 -1.649 -7.422 12.964 1.00 0.00 C ATOM 1815 NH1 ARG A 121 -1.720 -6.127 13.242 1.00 0.00 N ATOM 1816 NH2 ARG A 121 -2.292 -8.296 13.727 1.00 0.00 N ATOM 0 H ARG A 121 2.472 -5.606 7.196 1.00 0.00 H new ATOM 0 HA ARG A 121 2.586 -8.203 8.048 1.00 0.00 H new ATOM 0 HB2 ARG A 121 2.127 -6.263 9.485 1.00 0.00 H new ATOM 0 HB3 ARG A 121 0.564 -6.033 8.726 1.00 0.00 H new ATOM 0 HG2 ARG A 121 0.049 -8.462 9.530 1.00 0.00 H new ATOM 0 HG3 ARG A 121 1.440 -8.257 10.577 1.00 0.00 H new ATOM 0 HD2 ARG A 121 0.431 -6.289 11.626 1.00 0.00 H new ATOM 0 HD3 ARG A 121 -0.904 -6.318 10.492 1.00 0.00 H new ATOM 0 HE ARG A 121 -0.905 -8.845 11.737 1.00 0.00 H new ATOM 0 HH11 ARG A 121 -1.228 -5.452 12.657 1.00 0.00 H new ATOM 0 HH12 ARG A 121 -2.267 -5.806 14.041 1.00 0.00 H new ATOM 0 HH21 ARG A 121 -2.241 -9.292 13.515 1.00 0.00 H new ATOM 0 HH22 ARG A 121 -2.838 -7.972 14.525 1.00 0.00 H new ATOM 1830 N HIS A 122 -0.343 -7.582 6.623 1.00 0.00 N ATOM 1831 CA HIS A 122 -1.492 -8.216 5.987 1.00 0.00 C ATOM 1832 C HIS A 122 -1.077 -8.927 4.702 1.00 0.00 C ATOM 1833 O HIS A 122 -1.728 -9.878 4.270 1.00 0.00 O ATOM 1834 CB HIS A 122 -2.571 -7.177 5.682 1.00 0.00 C ATOM 1835 CG HIS A 122 -3.109 -6.497 6.903 1.00 0.00 C ATOM 1836 ND1 HIS A 122 -3.468 -7.177 8.048 1.00 0.00 N ATOM 1837 CD2 HIS A 122 -3.347 -5.188 7.155 1.00 0.00 C ATOM 1838 CE1 HIS A 122 -3.905 -6.317 8.950 1.00 0.00 C ATOM 1839 NE2 HIS A 122 -3.841 -5.103 8.434 1.00 0.00 N ATOM 0 H HIS A 122 -0.381 -6.563 6.642 1.00 0.00 H new ATOM 0 HA HIS A 122 -1.896 -8.956 6.678 1.00 0.00 H new ATOM 0 HB2 HIS A 122 -2.160 -6.425 5.009 1.00 0.00 H new ATOM 0 HB3 HIS A 122 -3.392 -7.662 5.155 1.00 0.00 H new ATOM 0 HD1 HIS A 122 -3.406 -8.187 8.178 1.00 0.00 H new ATOM 0 HD2 HIS A 122 -3.180 -4.364 6.477 1.00 0.00 H new ATOM 0 HE1 HIS A 122 -4.255 -6.564 9.941 1.00 0.00 H new ATOM 1848 N ALA A 123 0.009 -8.459 4.096 1.00 0.00 N ATOM 1849 CA ALA A 123 0.511 -9.051 2.862 1.00 0.00 C ATOM 1850 C ALA A 123 1.386 -10.265 3.153 1.00 0.00 C ATOM 1851 O ALA A 123 2.231 -10.642 2.340 1.00 0.00 O ATOM 1852 CB ALA A 123 1.288 -8.018 2.059 1.00 0.00 C ATOM 0 H ALA A 123 0.558 -7.671 4.440 1.00 0.00 H new ATOM 0 HA ALA A 123 -0.344 -9.384 2.273 1.00 0.00 H new ATOM 0 HB1 ALA A 123 1.657 -8.474 1.140 1.00 0.00 H new ATOM 0 HB2 ALA A 123 0.634 -7.182 1.812 1.00 0.00 H new ATOM 0 HB3 ALA A 123 2.131 -7.657 2.649 1.00 0.00 H new