USER MOD reduce.3.24.130724 H: found=0, std=0, add=831, rem=0, adj=20 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 HE2:sc= -3.86! C(o=-4.6!,f=-5.3!) USER MOD Set 1.2: A 53 CYS SG : rot -134:sc= -0.409 USER MOD Set 1.3: A 57 ASN : amide:sc= -0.374 X(o=-4.6,f=-5.1) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 52 GLN : amide:sc= -0.0729 K(o=-0.073,f=-2.9!) USER MOD Single : A 55 GLN :FLIP amide:sc= -6.7! C(o=-7.6!,f=-6.7!) USER MOD Single : A 56 MET CE :methyl -150:sc= -1.95! (180deg=-2.71!) USER MOD Single : A 60 MET CE :methyl -167:sc= -0.44 (180deg=-0.718) USER MOD Single : A 65 LYS NZ :NH3+ -148:sc= -0.873 (180deg=-2.18!) USER MOD Single : A 69 GLN :FLIP amide:sc= 0.125 F(o=-3.6!,f=0.13) USER MOD Single : A 71 SER OG : rot 120:sc= -0.789 USER MOD Single : A 74 LYS NZ :NH3+ 160:sc= -0.744 (180deg=-0.856) USER MOD Single : A 84 SER OG : rot 110:sc= -0.48 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 TYR OH : rot -78:sc= 1.58 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 32:sc= 0.511 USER MOD Single : A 94 THR OG1 : rot 122:sc= 1.18 USER MOD Single : A 99 LYS NZ :NH3+ -137:sc=0.000863 (180deg=-0.163) USER MOD Single : A 100 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 101 SER OG : rot 13:sc= -0.182 USER MOD Single : A 102 GLN : amide:sc= 0 X(o=0,f=-0.37) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 HIS : no HD1:sc= 0 X(o=0,f=0) 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+ 139:sc= 0.425 (180deg=-0.281) USER MOD Single : A 120 GLN : amide:sc= -0.05 K(o=-0.05,f=-0.72) USER MOD Single : A 122 HIS : no HD1:sc= -5.69! C(o=-5.7!,f=-8.6!) USER MOD ----------------------------------------------------------------- ATOM 201 N VAL A 20 -1.526 1.828 -9.276 1.00 0.00 N ATOM 202 CA VAL A 20 -2.800 1.900 -8.571 1.00 0.00 C ATOM 203 C VAL A 20 -3.956 2.095 -9.545 1.00 0.00 C ATOM 204 O VAL A 20 -3.836 2.824 -10.529 1.00 0.00 O ATOM 205 CB VAL A 20 -2.810 3.047 -7.544 1.00 0.00 C ATOM 206 CG1 VAL A 20 -4.087 3.015 -6.718 1.00 0.00 C ATOM 207 CG2 VAL A 20 -1.583 2.969 -6.647 1.00 0.00 C ATOM 0 HA VAL A 20 -2.925 0.953 -8.047 1.00 0.00 H new ATOM 0 HB VAL A 20 -2.779 3.994 -8.083 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -4.075 3.833 -5.998 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -4.949 3.123 -7.376 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -4.153 2.065 -6.187 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -1.606 3.787 -5.927 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -1.581 2.018 -6.115 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -0.682 3.046 -7.255 1.00 0.00 H new ATOM 217 N GLU A 21 -5.077 1.438 -9.264 1.00 0.00 N ATOM 218 CA GLU A 21 -6.256 1.539 -10.116 1.00 0.00 C ATOM 219 C GLU A 21 -7.234 2.576 -9.572 1.00 0.00 C ATOM 220 O GLU A 21 -7.509 2.615 -8.373 1.00 0.00 O ATOM 221 CB GLU A 21 -6.949 0.180 -10.230 1.00 0.00 C ATOM 222 CG GLU A 21 -6.422 -0.678 -11.369 1.00 0.00 C ATOM 223 CD GLU A 21 -7.164 -0.441 -12.670 1.00 0.00 C ATOM 224 OE1 GLU A 21 -7.731 0.659 -12.838 1.00 0.00 O ATOM 225 OE2 GLU A 21 -7.177 -1.355 -13.520 1.00 0.00 O ATOM 0 H GLU A 21 -5.193 0.830 -8.453 1.00 0.00 H new ATOM 0 HA GLU A 21 -5.930 1.857 -11.106 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -6.826 -0.361 -9.292 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -8.019 0.337 -10.370 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -5.362 -0.469 -11.516 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -6.504 -1.730 -11.095 1.00 0.00 H new ATOM 232 N GLU A 22 -7.754 3.415 -10.462 1.00 0.00 N ATOM 233 CA GLU A 22 -8.700 4.454 -10.071 1.00 0.00 C ATOM 234 C GLU A 22 -10.138 3.974 -10.246 1.00 0.00 C ATOM 235 O GLU A 22 -10.525 3.514 -11.320 1.00 0.00 O ATOM 236 CB GLU A 22 -8.470 5.722 -10.895 1.00 0.00 C ATOM 237 CG GLU A 22 -9.265 6.920 -10.405 1.00 0.00 C ATOM 238 CD GLU A 22 -10.648 6.994 -11.024 1.00 0.00 C ATOM 239 OE1 GLU A 22 -10.923 6.211 -11.957 1.00 0.00 O ATOM 240 OE2 GLU A 22 -11.455 7.835 -10.575 1.00 0.00 O ATOM 0 H GLU A 22 -7.536 3.396 -11.458 1.00 0.00 H new ATOM 0 HA GLU A 22 -8.536 4.680 -9.017 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -7.409 5.969 -10.877 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -8.733 5.523 -11.934 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -9.359 6.870 -9.320 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -8.718 7.834 -10.636 1.00 0.00 H new ATOM 247 N VAL A 23 -10.926 4.085 -9.181 1.00 0.00 N ATOM 248 CA VAL A 23 -12.322 3.664 -9.216 1.00 0.00 C ATOM 249 C VAL A 23 -13.238 4.826 -9.583 1.00 0.00 C ATOM 250 O VAL A 23 -13.160 5.902 -8.992 1.00 0.00 O ATOM 251 CB VAL A 23 -12.766 3.082 -7.860 1.00 0.00 C ATOM 252 CG1 VAL A 23 -14.102 2.368 -7.998 1.00 0.00 C ATOM 253 CG2 VAL A 23 -11.704 2.143 -7.310 1.00 0.00 C ATOM 0 H VAL A 23 -10.622 4.463 -8.284 1.00 0.00 H new ATOM 0 HA VAL A 23 -12.400 2.890 -9.979 1.00 0.00 H new ATOM 0 HB VAL A 23 -12.891 3.903 -7.155 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -14.400 1.963 -7.031 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -14.857 3.073 -8.345 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -14.007 1.555 -8.718 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -12.034 1.741 -6.352 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -11.544 1.324 -8.011 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -10.771 2.690 -7.172 1.00 0.00 H new ATOM 263 N GLY A 24 -14.107 4.600 -10.563 1.00 0.00 N ATOM 264 CA GLY A 24 -15.026 5.637 -10.993 1.00 0.00 C ATOM 265 C GLY A 24 -16.401 5.487 -10.373 1.00 0.00 C ATOM 266 O GLY A 24 -17.169 6.447 -10.308 1.00 0.00 O ATOM 0 H GLY A 24 -14.191 3.717 -11.067 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -14.617 6.613 -10.730 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -15.116 5.611 -12.079 1.00 0.00 H new ATOM 270 N SER A 25 -16.714 4.278 -9.917 1.00 0.00 N ATOM 271 CA SER A 25 -18.008 4.004 -9.304 1.00 0.00 C ATOM 272 C SER A 25 -17.991 2.663 -8.576 1.00 0.00 C ATOM 273 O SER A 25 -17.102 1.839 -8.790 1.00 0.00 O ATOM 274 CB SER A 25 -19.110 4.006 -10.365 1.00 0.00 C ATOM 275 OG SER A 25 -19.029 2.855 -11.188 1.00 0.00 O ATOM 0 H SER A 25 -16.089 3.473 -9.961 1.00 0.00 H new ATOM 0 HA SER A 25 -18.211 4.791 -8.577 1.00 0.00 H new ATOM 0 HB2 SER A 25 -20.086 4.042 -9.880 1.00 0.00 H new ATOM 0 HB3 SER A 25 -19.026 4.903 -10.979 1.00 0.00 H new ATOM 0 HG SER A 25 -19.745 2.880 -11.856 1.00 0.00 H new ATOM 281 N ALA A 26 -18.980 2.452 -7.714 1.00 0.00 N ATOM 282 CA ALA A 26 -19.081 1.212 -6.955 1.00 0.00 C ATOM 283 C ALA A 26 -18.913 -0.002 -7.862 1.00 0.00 C ATOM 284 O ALA A 26 -18.511 -1.074 -7.413 1.00 0.00 O ATOM 285 CB ALA A 26 -20.415 1.146 -6.225 1.00 0.00 C ATOM 0 H ALA A 26 -19.723 3.124 -7.524 1.00 0.00 H new ATOM 0 HA ALA A 26 -18.276 1.199 -6.220 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -20.476 0.214 -5.662 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -20.497 1.990 -5.540 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -21.229 1.187 -6.949 1.00 0.00 H new ATOM 291 N GLY A 27 -19.224 0.174 -9.143 1.00 0.00 N ATOM 292 CA GLY A 27 -19.101 -0.916 -10.093 1.00 0.00 C ATOM 293 C GLY A 27 -17.683 -1.443 -10.190 1.00 0.00 C ATOM 294 O GLY A 27 -17.452 -2.646 -10.070 1.00 0.00 O ATOM 0 H GLY A 27 -19.559 1.052 -9.539 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -19.767 -1.727 -9.799 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -19.427 -0.576 -11.076 1.00 0.00 H new ATOM 298 N GLN A 28 -16.731 -0.542 -10.409 1.00 0.00 N ATOM 299 CA GLN A 28 -15.329 -0.924 -10.524 1.00 0.00 C ATOM 300 C GLN A 28 -14.838 -1.586 -9.241 1.00 0.00 C ATOM 301 O GLN A 28 -14.195 -2.635 -9.277 1.00 0.00 O ATOM 302 CB GLN A 28 -14.469 0.300 -10.842 1.00 0.00 C ATOM 303 CG GLN A 28 -13.205 -0.030 -11.619 1.00 0.00 C ATOM 304 CD GLN A 28 -13.412 0.020 -13.120 1.00 0.00 C ATOM 305 OE1 GLN A 28 -13.697 -0.997 -13.753 1.00 0.00 O ATOM 306 NE2 GLN A 28 -13.270 1.207 -13.698 1.00 0.00 N ATOM 0 H GLN A 28 -16.905 0.458 -10.510 1.00 0.00 H new ATOM 0 HA GLN A 28 -15.240 -1.643 -11.339 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -15.063 1.012 -11.416 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -14.194 0.793 -9.909 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -12.419 0.672 -11.341 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -12.859 -1.024 -11.337 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -13.033 2.024 -13.135 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -13.398 1.302 -14.705 1.00 0.00 H new ATOM 315 N PHE A 29 -15.144 -0.965 -8.106 1.00 0.00 N ATOM 316 CA PHE A 29 -14.732 -1.493 -6.811 1.00 0.00 C ATOM 317 C PHE A 29 -15.434 -2.814 -6.514 1.00 0.00 C ATOM 318 O PHE A 29 -14.794 -3.861 -6.419 1.00 0.00 O ATOM 319 CB PHE A 29 -15.036 -0.481 -5.704 1.00 0.00 C ATOM 320 CG PHE A 29 -14.608 -0.938 -4.339 1.00 0.00 C ATOM 321 CD1 PHE A 29 -13.295 -1.309 -4.098 1.00 0.00 C ATOM 322 CD2 PHE A 29 -15.519 -0.998 -3.296 1.00 0.00 C ATOM 323 CE1 PHE A 29 -12.897 -1.730 -2.843 1.00 0.00 C ATOM 324 CE2 PHE A 29 -15.127 -1.418 -2.039 1.00 0.00 C ATOM 325 CZ PHE A 29 -13.815 -1.786 -1.813 1.00 0.00 C ATOM 0 H PHE A 29 -15.676 -0.096 -8.057 1.00 0.00 H new ATOM 0 HA PHE A 29 -13.657 -1.673 -6.845 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -14.537 0.460 -5.936 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -16.107 -0.279 -5.691 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -12.574 -1.269 -4.901 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -16.547 -0.713 -3.468 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -11.870 -2.015 -2.668 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -15.846 -1.458 -1.234 1.00 0.00 H new ATOM 0 HZ PHE A 29 -13.508 -2.117 -0.832 1.00 0.00 H new ATOM 335 N GLU A 30 -16.755 -2.757 -6.368 1.00 0.00 N ATOM 336 CA GLU A 30 -17.544 -3.949 -6.081 1.00 0.00 C ATOM 337 C GLU A 30 -17.141 -5.101 -6.996 1.00 0.00 C ATOM 338 O GLU A 30 -17.309 -6.270 -6.650 1.00 0.00 O ATOM 339 CB GLU A 30 -19.036 -3.651 -6.244 1.00 0.00 C ATOM 340 CG GLU A 30 -19.600 -2.757 -5.153 1.00 0.00 C ATOM 341 CD GLU A 30 -20.109 -3.542 -3.960 1.00 0.00 C ATOM 342 OE1 GLU A 30 -19.345 -4.375 -3.428 1.00 0.00 O ATOM 343 OE2 GLU A 30 -21.271 -3.326 -3.558 1.00 0.00 O ATOM 0 H GLU A 30 -17.300 -1.898 -6.444 1.00 0.00 H new ATOM 0 HA GLU A 30 -17.350 -4.243 -5.049 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -19.200 -3.177 -7.212 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -19.587 -4.591 -6.253 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -18.828 -2.062 -4.823 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -20.414 -2.159 -5.563 1.00 0.00 H new ATOM 350 N GLU A 31 -16.608 -4.762 -8.166 1.00 0.00 N ATOM 351 CA GLU A 31 -16.183 -5.769 -9.131 1.00 0.00 C ATOM 352 C GLU A 31 -14.776 -6.267 -8.814 1.00 0.00 C ATOM 353 O GLU A 31 -14.526 -7.473 -8.773 1.00 0.00 O ATOM 354 CB GLU A 31 -16.225 -5.197 -10.550 1.00 0.00 C ATOM 355 CG GLU A 31 -15.624 -6.120 -11.597 1.00 0.00 C ATOM 356 CD GLU A 31 -14.126 -5.937 -11.744 1.00 0.00 C ATOM 357 OE1 GLU A 31 -13.711 -5.051 -12.520 1.00 0.00 O ATOM 358 OE2 GLU A 31 -13.369 -6.679 -11.084 1.00 0.00 O ATOM 0 H GLU A 31 -16.461 -3.799 -8.468 1.00 0.00 H new ATOM 0 HA GLU A 31 -16.872 -6.611 -9.065 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -17.260 -4.985 -10.816 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -15.691 -4.247 -10.566 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -15.835 -7.155 -11.328 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -16.105 -5.936 -12.558 1.00 0.00 H new ATOM 365 N LEU A 32 -13.860 -5.331 -8.591 1.00 0.00 N ATOM 366 CA LEU A 32 -12.477 -5.674 -8.277 1.00 0.00 C ATOM 367 C LEU A 32 -12.395 -6.481 -6.986 1.00 0.00 C ATOM 368 O LEU A 32 -11.383 -7.124 -6.706 1.00 0.00 O ATOM 369 CB LEU A 32 -11.632 -4.404 -8.153 1.00 0.00 C ATOM 370 CG LEU A 32 -10.156 -4.541 -8.527 1.00 0.00 C ATOM 371 CD1 LEU A 32 -9.951 -4.250 -10.006 1.00 0.00 C ATOM 372 CD2 LEU A 32 -9.302 -3.613 -7.675 1.00 0.00 C ATOM 0 H LEU A 32 -14.050 -4.329 -8.622 1.00 0.00 H new ATOM 0 HA LEU A 32 -12.087 -6.285 -9.090 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -12.076 -3.633 -8.783 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -11.694 -4.049 -7.124 1.00 0.00 H new ATOM 0 HG LEU A 32 -9.845 -5.568 -8.334 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -8.895 -4.352 -10.254 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -10.533 -4.955 -10.600 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -10.278 -3.234 -10.226 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -8.254 -3.724 -7.955 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -9.614 -2.581 -7.837 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -9.426 -3.869 -6.623 1.00 0.00 H new ATOM 384 N LEU A 33 -13.468 -6.445 -6.203 1.00 0.00 N ATOM 385 CA LEU A 33 -13.519 -7.176 -4.941 1.00 0.00 C ATOM 386 C LEU A 33 -13.413 -8.679 -5.177 1.00 0.00 C ATOM 387 O LEU A 33 -12.694 -9.380 -4.465 1.00 0.00 O ATOM 388 CB LEU A 33 -14.816 -6.856 -4.196 1.00 0.00 C ATOM 389 CG LEU A 33 -14.794 -5.605 -3.316 1.00 0.00 C ATOM 390 CD1 LEU A 33 -16.121 -5.437 -2.594 1.00 0.00 C ATOM 391 CD2 LEU A 33 -13.647 -5.675 -2.319 1.00 0.00 C ATOM 0 H LEU A 33 -14.314 -5.918 -6.419 1.00 0.00 H new ATOM 0 HA LEU A 33 -12.670 -6.862 -4.333 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -15.615 -6.746 -4.929 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -15.073 -7.711 -3.571 1.00 0.00 H new ATOM 0 HG LEU A 33 -14.640 -4.736 -3.956 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -16.087 -4.542 -1.973 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -16.923 -5.340 -3.325 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -16.306 -6.308 -1.965 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -13.647 -4.777 -1.701 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -13.770 -6.552 -1.684 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -12.701 -5.746 -2.857 1.00 0.00 H new ATOM 403 N ARG A 34 -14.131 -9.167 -6.183 1.00 0.00 N ATOM 404 CA ARG A 34 -14.117 -10.586 -6.515 1.00 0.00 C ATOM 405 C ARG A 34 -12.886 -10.938 -7.346 1.00 0.00 C ATOM 406 O ARG A 34 -12.273 -11.989 -7.153 1.00 0.00 O ATOM 407 CB ARG A 34 -15.387 -10.967 -7.278 1.00 0.00 C ATOM 408 CG ARG A 34 -15.326 -10.644 -8.762 1.00 0.00 C ATOM 409 CD ARG A 34 -16.669 -10.870 -9.437 1.00 0.00 C ATOM 410 NE ARG A 34 -16.586 -10.716 -10.887 1.00 0.00 N ATOM 411 CZ ARG A 34 -17.624 -10.865 -11.702 1.00 0.00 C ATOM 412 NH1 ARG A 34 -18.818 -11.169 -11.213 1.00 0.00 N ATOM 413 NH2 ARG A 34 -17.469 -10.708 -13.011 1.00 0.00 N ATOM 0 H ARG A 34 -14.730 -8.600 -6.783 1.00 0.00 H new ATOM 0 HA ARG A 34 -14.079 -11.150 -5.583 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -15.568 -12.035 -7.154 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -16.236 -10.446 -6.836 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -15.020 -9.607 -8.897 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -14.568 -11.265 -9.240 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -17.031 -11.870 -9.199 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -17.398 -10.164 -9.039 1.00 0.00 H new ATOM 0 HE ARG A 34 -15.682 -10.481 -11.296 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -18.942 -11.289 -10.208 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -19.613 -11.283 -11.842 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -16.552 -10.473 -13.391 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -18.267 -10.823 -13.636 1.00 0.00 H new ATOM 427 N LEU A 35 -12.531 -10.054 -8.271 1.00 0.00 N ATOM 428 CA LEU A 35 -11.375 -10.270 -9.133 1.00 0.00 C ATOM 429 C LEU A 35 -10.097 -10.392 -8.309 1.00 0.00 C ATOM 430 O LEU A 35 -9.341 -11.353 -8.453 1.00 0.00 O ATOM 431 CB LEU A 35 -11.240 -9.124 -10.137 1.00 0.00 C ATOM 432 CG LEU A 35 -12.001 -9.292 -11.453 1.00 0.00 C ATOM 433 CD1 LEU A 35 -11.261 -10.242 -12.381 1.00 0.00 C ATOM 434 CD2 LEU A 35 -13.415 -9.792 -11.191 1.00 0.00 C ATOM 0 H LEU A 35 -13.028 -9.180 -8.444 1.00 0.00 H new ATOM 0 HA LEU A 35 -11.527 -11.203 -9.675 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -11.580 -8.206 -9.658 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -10.183 -8.991 -10.366 1.00 0.00 H new ATOM 0 HG LEU A 35 -12.065 -8.319 -11.940 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -11.818 -10.349 -13.312 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -10.270 -9.843 -12.595 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -11.164 -11.216 -11.902 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -13.942 -9.906 -12.138 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -13.372 -10.755 -10.682 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -13.945 -9.074 -10.565 1.00 0.00 H new ATOM 446 N LYS A 36 -9.862 -9.412 -7.443 1.00 0.00 N ATOM 447 CA LYS A 36 -8.678 -9.409 -6.592 1.00 0.00 C ATOM 448 C LYS A 36 -8.995 -9.986 -5.216 1.00 0.00 C ATOM 449 O LYS A 36 -8.340 -9.656 -4.228 1.00 0.00 O ATOM 450 CB LYS A 36 -8.132 -7.987 -6.447 1.00 0.00 C ATOM 451 CG LYS A 36 -7.940 -7.271 -7.773 1.00 0.00 C ATOM 452 CD LYS A 36 -6.760 -7.835 -8.545 1.00 0.00 C ATOM 453 CE LYS A 36 -6.804 -7.424 -10.009 1.00 0.00 C ATOM 454 NZ LYS A 36 -6.036 -8.363 -10.873 1.00 0.00 N ATOM 0 H LYS A 36 -10.477 -8.609 -7.312 1.00 0.00 H new ATOM 0 HA LYS A 36 -7.921 -10.036 -7.064 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -8.814 -7.407 -5.826 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -7.177 -8.025 -5.923 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -8.846 -7.364 -8.372 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -7.784 -6.207 -7.594 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -5.830 -7.486 -8.096 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -6.762 -8.922 -8.471 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -7.840 -7.387 -10.345 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -6.398 -6.418 -10.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -6.091 -8.048 -11.863 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -5.041 -8.379 -10.569 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -6.439 -9.318 -10.791 1.00 0.00 H new ATOM 468 N ALA A 37 -10.003 -10.850 -5.160 1.00 0.00 N ATOM 469 CA ALA A 37 -10.405 -11.476 -3.906 1.00 0.00 C ATOM 470 C ALA A 37 -9.243 -12.235 -3.275 1.00 0.00 C ATOM 471 O ALA A 37 -8.928 -12.044 -2.100 1.00 0.00 O ATOM 472 CB ALA A 37 -11.585 -12.409 -4.136 1.00 0.00 C ATOM 0 H ALA A 37 -10.557 -11.133 -5.969 1.00 0.00 H new ATOM 0 HA ALA A 37 -10.708 -10.689 -3.216 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -11.874 -12.869 -3.191 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -12.425 -11.841 -4.535 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -11.302 -13.186 -4.846 1.00 0.00 H new ATOM 478 N LYS A 38 -8.608 -13.097 -4.062 1.00 0.00 N ATOM 479 CA LYS A 38 -7.480 -13.886 -3.580 1.00 0.00 C ATOM 480 C LYS A 38 -6.332 -12.982 -3.143 1.00 0.00 C ATOM 481 O LYS A 38 -5.709 -13.212 -2.107 1.00 0.00 O ATOM 482 CB LYS A 38 -7.001 -14.846 -4.671 1.00 0.00 C ATOM 483 CG LYS A 38 -7.692 -16.198 -4.638 1.00 0.00 C ATOM 484 CD LYS A 38 -6.949 -17.183 -3.751 1.00 0.00 C ATOM 485 CE LYS A 38 -7.438 -17.116 -2.312 1.00 0.00 C ATOM 486 NZ LYS A 38 -7.253 -18.412 -1.602 1.00 0.00 N ATOM 0 H LYS A 38 -8.855 -13.267 -5.037 1.00 0.00 H new ATOM 0 HA LYS A 38 -7.813 -14.463 -2.717 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -7.166 -14.387 -5.646 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -5.926 -14.994 -4.567 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -8.712 -16.077 -4.274 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -7.760 -16.598 -5.650 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -7.084 -18.194 -4.136 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -5.881 -16.969 -3.784 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -6.899 -16.331 -1.781 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -8.493 -16.842 -2.299 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -7.598 -18.325 -0.625 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -7.788 -19.156 -2.093 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -6.243 -18.661 -1.591 1.00 0.00 H new ATOM 500 N SER A 39 -6.058 -11.954 -3.940 1.00 0.00 N ATOM 501 CA SER A 39 -4.983 -11.017 -3.636 1.00 0.00 C ATOM 502 C SER A 39 -5.417 -10.020 -2.566 1.00 0.00 C ATOM 503 O SER A 39 -6.611 -9.804 -2.350 1.00 0.00 O ATOM 504 CB SER A 39 -4.556 -10.270 -4.901 1.00 0.00 C ATOM 505 OG SER A 39 -3.940 -11.148 -5.828 1.00 0.00 O ATOM 0 H SER A 39 -6.565 -11.749 -4.801 1.00 0.00 H new ATOM 0 HA SER A 39 -4.135 -11.587 -3.255 1.00 0.00 H new ATOM 0 HB2 SER A 39 -5.426 -9.802 -5.362 1.00 0.00 H new ATOM 0 HB3 SER A 39 -3.864 -9.469 -4.639 1.00 0.00 H new ATOM 0 HG SER A 39 -3.678 -10.647 -6.628 1.00 0.00 H new ATOM 511 N LEU A 40 -4.441 -9.415 -1.898 1.00 0.00 N ATOM 512 CA LEU A 40 -4.720 -8.440 -0.850 1.00 0.00 C ATOM 513 C LEU A 40 -5.074 -7.083 -1.449 1.00 0.00 C ATOM 514 O LEU A 40 -4.245 -6.444 -2.099 1.00 0.00 O ATOM 515 CB LEU A 40 -3.514 -8.301 0.080 1.00 0.00 C ATOM 516 CG LEU A 40 -3.528 -7.098 1.024 1.00 0.00 C ATOM 517 CD1 LEU A 40 -4.674 -7.213 2.017 1.00 0.00 C ATOM 518 CD2 LEU A 40 -2.198 -6.976 1.753 1.00 0.00 C ATOM 0 H LEU A 40 -3.449 -9.583 -2.064 1.00 0.00 H new ATOM 0 HA LEU A 40 -5.574 -8.797 -0.275 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -3.437 -9.207 0.680 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -2.613 -8.247 -0.532 1.00 0.00 H new ATOM 0 HG LEU A 40 -3.678 -6.196 0.430 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -4.668 -6.348 2.681 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -5.620 -7.250 1.478 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -4.556 -8.123 2.605 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -2.226 -6.115 2.420 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -2.018 -7.880 2.335 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -1.396 -6.846 1.027 1.00 0.00 H new ATOM 530 N LEU A 41 -6.309 -6.646 -1.224 1.00 0.00 N ATOM 531 CA LEU A 41 -6.772 -5.363 -1.739 1.00 0.00 C ATOM 532 C LEU A 41 -6.634 -4.270 -0.684 1.00 0.00 C ATOM 533 O LEU A 41 -6.879 -4.501 0.500 1.00 0.00 O ATOM 534 CB LEU A 41 -8.229 -5.469 -2.192 1.00 0.00 C ATOM 535 CG LEU A 41 -8.672 -4.476 -3.267 1.00 0.00 C ATOM 536 CD1 LEU A 41 -8.060 -4.837 -4.612 1.00 0.00 C ATOM 537 CD2 LEU A 41 -10.190 -4.436 -3.364 1.00 0.00 C ATOM 0 H LEU A 41 -7.007 -7.162 -0.688 1.00 0.00 H new ATOM 0 HA LEU A 41 -6.150 -5.097 -2.594 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -8.400 -6.479 -2.566 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -8.870 -5.339 -1.320 1.00 0.00 H new ATOM 0 HG LEU A 41 -8.320 -3.484 -2.985 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -8.386 -4.119 -5.365 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -6.973 -4.813 -4.535 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -8.381 -5.838 -4.901 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -10.487 -3.724 -4.134 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -10.564 -5.427 -3.622 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -10.608 -4.129 -2.405 1.00 0.00 H new ATOM 549 N VAL A 42 -6.241 -3.078 -1.122 1.00 0.00 N ATOM 550 CA VAL A 42 -6.073 -1.948 -0.215 1.00 0.00 C ATOM 551 C VAL A 42 -6.753 -0.698 -0.764 1.00 0.00 C ATOM 552 O VAL A 42 -6.245 -0.055 -1.682 1.00 0.00 O ATOM 553 CB VAL A 42 -4.584 -1.643 0.031 1.00 0.00 C ATOM 554 CG1 VAL A 42 -4.429 -0.402 0.898 1.00 0.00 C ATOM 555 CG2 VAL A 42 -3.894 -2.839 0.671 1.00 0.00 C ATOM 0 H VAL A 42 -6.033 -2.870 -2.099 1.00 0.00 H new ATOM 0 HA VAL A 42 -6.540 -2.227 0.730 1.00 0.00 H new ATOM 0 HB VAL A 42 -4.108 -1.448 -0.930 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -3.370 -0.202 1.061 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -4.886 0.451 0.397 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -4.919 -0.565 1.858 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -2.842 -2.606 0.838 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -4.371 -3.067 1.624 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -3.974 -3.702 0.010 1.00 0.00 H new ATOM 565 N VAL A 43 -7.905 -0.359 -0.194 1.00 0.00 N ATOM 566 CA VAL A 43 -8.654 0.815 -0.624 1.00 0.00 C ATOM 567 C VAL A 43 -8.166 2.070 0.090 1.00 0.00 C ATOM 568 O VAL A 43 -8.079 2.105 1.318 1.00 0.00 O ATOM 569 CB VAL A 43 -10.163 0.644 -0.365 1.00 0.00 C ATOM 570 CG1 VAL A 43 -10.874 1.987 -0.440 1.00 0.00 C ATOM 571 CG2 VAL A 43 -10.764 -0.343 -1.354 1.00 0.00 C ATOM 0 H VAL A 43 -8.340 -0.881 0.567 1.00 0.00 H new ATOM 0 HA VAL A 43 -8.487 0.922 -1.696 1.00 0.00 H new ATOM 0 HB VAL A 43 -10.299 0.245 0.640 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -11.939 1.846 -0.254 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -10.461 2.660 0.311 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -10.733 2.419 -1.431 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -11.830 -0.452 -1.157 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -10.619 0.025 -2.370 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -10.274 -1.311 -1.245 1.00 0.00 H new ATOM 581 N HIS A 44 -7.850 3.101 -0.687 1.00 0.00 N ATOM 582 CA HIS A 44 -7.372 4.361 -0.128 1.00 0.00 C ATOM 583 C HIS A 44 -8.316 5.506 -0.482 1.00 0.00 C ATOM 584 O HIS A 44 -8.627 5.729 -1.652 1.00 0.00 O ATOM 585 CB HIS A 44 -5.964 4.669 -0.641 1.00 0.00 C ATOM 586 CG HIS A 44 -5.598 6.118 -0.553 1.00 0.00 C ATOM 587 ND1 HIS A 44 -5.103 6.836 -1.621 1.00 0.00 N ATOM 588 CD2 HIS A 44 -5.659 6.985 0.485 1.00 0.00 C ATOM 589 CE1 HIS A 44 -4.874 8.081 -1.243 1.00 0.00 C ATOM 590 NE2 HIS A 44 -5.203 8.198 0.030 1.00 0.00 N ATOM 0 H HIS A 44 -7.916 3.089 -1.705 1.00 0.00 H new ATOM 0 HA HIS A 44 -7.342 4.260 0.957 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -5.242 4.085 -0.070 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -5.886 4.345 -1.679 1.00 0.00 H new ATOM 0 HD1 HIS A 44 -4.939 6.464 -2.557 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -6.002 6.764 1.485 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -4.484 8.869 -1.869 1.00 0.00 H new ATOM 599 N PHE A 45 -8.770 6.228 0.537 1.00 0.00 N ATOM 600 CA PHE A 45 -9.681 7.349 0.334 1.00 0.00 C ATOM 601 C PHE A 45 -8.907 8.647 0.123 1.00 0.00 C ATOM 602 O PHE A 45 -8.190 9.106 1.013 1.00 0.00 O ATOM 603 CB PHE A 45 -10.622 7.492 1.532 1.00 0.00 C ATOM 604 CG PHE A 45 -11.793 6.552 1.489 1.00 0.00 C ATOM 605 CD1 PHE A 45 -11.647 5.225 1.862 1.00 0.00 C ATOM 606 CD2 PHE A 45 -13.039 6.995 1.076 1.00 0.00 C ATOM 607 CE1 PHE A 45 -12.723 4.358 1.824 1.00 0.00 C ATOM 608 CE2 PHE A 45 -14.118 6.132 1.037 1.00 0.00 C ATOM 609 CZ PHE A 45 -13.960 4.812 1.410 1.00 0.00 C ATOM 0 H PHE A 45 -8.522 6.057 1.512 1.00 0.00 H new ATOM 0 HA PHE A 45 -10.271 7.149 -0.561 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -10.059 7.317 2.449 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -10.990 8.517 1.575 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -10.682 4.864 2.186 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -13.169 8.026 0.781 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -12.596 3.326 2.118 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -15.085 6.490 0.715 1.00 0.00 H new ATOM 0 HZ PHE A 45 -14.802 4.136 1.378 1.00 0.00 H new ATOM 619 N TRP A 46 -9.057 9.233 -1.059 1.00 0.00 N ATOM 620 CA TRP A 46 -8.372 10.478 -1.388 1.00 0.00 C ATOM 621 C TRP A 46 -9.368 11.548 -1.822 1.00 0.00 C ATOM 622 O TRP A 46 -10.324 11.263 -2.542 1.00 0.00 O ATOM 623 CB TRP A 46 -7.343 10.241 -2.495 1.00 0.00 C ATOM 624 CG TRP A 46 -7.956 10.106 -3.856 1.00 0.00 C ATOM 625 CD1 TRP A 46 -8.429 8.962 -4.432 1.00 0.00 C ATOM 626 CD2 TRP A 46 -8.158 11.152 -4.812 1.00 0.00 C ATOM 627 NE1 TRP A 46 -8.914 9.234 -5.689 1.00 0.00 N ATOM 628 CE2 TRP A 46 -8.760 10.571 -5.945 1.00 0.00 C ATOM 629 CE3 TRP A 46 -7.892 12.524 -4.820 1.00 0.00 C ATOM 630 CZ2 TRP A 46 -9.097 11.314 -7.073 1.00 0.00 C ATOM 631 CZ3 TRP A 46 -8.227 13.261 -5.941 1.00 0.00 C ATOM 632 CH2 TRP A 46 -8.825 12.655 -7.054 1.00 0.00 C ATOM 0 H TRP A 46 -9.647 8.866 -1.806 1.00 0.00 H new ATOM 0 HA TRP A 46 -7.857 10.829 -0.493 1.00 0.00 H new ATOM 0 HB2 TRP A 46 -6.633 11.068 -2.504 1.00 0.00 H new ATOM 0 HB3 TRP A 46 -6.777 9.338 -2.268 1.00 0.00 H new ATOM 0 HD1 TRP A 46 -8.423 7.987 -3.968 1.00 0.00 H new ATOM 0 HE1 TRP A 46 -9.322 8.551 -6.327 1.00 0.00 H new ATOM 0 HE3 TRP A 46 -7.433 13.000 -3.966 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 -9.557 10.849 -7.932 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 -8.024 14.322 -5.959 1.00 0.00 H new ATOM 0 HH2 TRP A 46 -9.076 13.258 -7.914 1.00 0.00 H new ATOM 643 N ALA A 47 -9.136 12.780 -1.381 1.00 0.00 N ATOM 644 CA ALA A 47 -10.011 13.893 -1.727 1.00 0.00 C ATOM 645 C ALA A 47 -9.232 15.014 -2.406 1.00 0.00 C ATOM 646 O ALA A 47 -8.086 15.302 -2.062 1.00 0.00 O ATOM 647 CB ALA A 47 -10.717 14.415 -0.484 1.00 0.00 C ATOM 0 H ALA A 47 -8.349 13.032 -0.783 1.00 0.00 H new ATOM 0 HA ALA A 47 -10.760 13.529 -2.431 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -11.367 15.246 -0.757 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -11.314 13.617 -0.042 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -9.976 14.756 0.239 1.00 0.00 H new ATOM 653 N PRO A 48 -9.866 15.662 -3.394 1.00 0.00 N ATOM 654 CA PRO A 48 -9.251 16.762 -4.142 1.00 0.00 C ATOM 655 C PRO A 48 -9.083 18.018 -3.294 1.00 0.00 C ATOM 656 O PRO A 48 -8.479 18.997 -3.731 1.00 0.00 O ATOM 657 CB PRO A 48 -10.241 17.014 -5.281 1.00 0.00 C ATOM 658 CG PRO A 48 -11.550 16.532 -4.759 1.00 0.00 C ATOM 659 CD PRO A 48 -11.234 15.371 -3.857 1.00 0.00 C ATOM 0 HA PRO A 48 -8.246 16.512 -4.481 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -10.284 18.072 -5.541 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -9.952 16.475 -6.183 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -12.067 17.321 -4.213 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -12.206 16.226 -5.574 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -11.935 15.306 -3.025 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -11.284 14.422 -4.391 1.00 0.00 H new ATOM 667 N TRP A 49 -9.619 17.981 -2.080 1.00 0.00 N ATOM 668 CA TRP A 49 -9.528 19.118 -1.170 1.00 0.00 C ATOM 669 C TRP A 49 -8.520 18.846 -0.059 1.00 0.00 C ATOM 670 O TRP A 49 -7.752 19.728 0.324 1.00 0.00 O ATOM 671 CB TRP A 49 -10.899 19.426 -0.567 1.00 0.00 C ATOM 672 CG TRP A 49 -11.610 18.210 -0.054 1.00 0.00 C ATOM 673 CD1 TRP A 49 -12.452 17.395 -0.756 1.00 0.00 C ATOM 674 CD2 TRP A 49 -11.541 17.672 1.271 1.00 0.00 C ATOM 675 NE1 TRP A 49 -12.911 16.384 0.053 1.00 0.00 N ATOM 676 CE2 TRP A 49 -12.366 16.531 1.301 1.00 0.00 C ATOM 677 CE3 TRP A 49 -10.862 18.043 2.435 1.00 0.00 C ATOM 678 CZ2 TRP A 49 -12.530 15.760 2.449 1.00 0.00 C ATOM 679 CZ3 TRP A 49 -11.025 17.277 3.574 1.00 0.00 C ATOM 680 CH2 TRP A 49 -11.853 16.146 3.574 1.00 0.00 C ATOM 0 H TRP A 49 -10.121 17.177 -1.702 1.00 0.00 H new ATOM 0 HA TRP A 49 -9.188 19.982 -1.741 1.00 0.00 H new ATOM 0 HB2 TRP A 49 -10.777 20.138 0.249 1.00 0.00 H new ATOM 0 HB3 TRP A 49 -11.519 19.909 -1.322 1.00 0.00 H new ATOM 0 HD1 TRP A 49 -12.718 17.526 -1.795 1.00 0.00 H new ATOM 0 HE1 TRP A 49 -13.553 15.644 -0.230 1.00 0.00 H new ATOM 0 HE3 TRP A 49 -10.222 18.913 2.444 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 -13.168 14.889 2.451 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 -10.506 17.555 4.479 1.00 0.00 H new ATOM 0 HH2 TRP A 49 -11.959 15.568 4.480 1.00 0.00 H new ATOM 691 N ALA A 50 -8.528 17.620 0.454 1.00 0.00 N ATOM 692 CA ALA A 50 -7.612 17.232 1.520 1.00 0.00 C ATOM 693 C ALA A 50 -6.186 17.098 0.997 1.00 0.00 C ATOM 694 O ALA A 50 -5.880 16.237 0.172 1.00 0.00 O ATOM 695 CB ALA A 50 -8.066 15.928 2.158 1.00 0.00 C ATOM 0 H ALA A 50 -9.158 16.879 0.149 1.00 0.00 H new ATOM 0 HA ALA A 50 -7.622 18.017 2.276 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -7.373 15.651 2.952 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -9.064 16.056 2.576 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -8.087 15.142 1.403 1.00 0.00 H new ATOM 701 N PRO A 51 -5.291 17.970 1.486 1.00 0.00 N ATOM 702 CA PRO A 51 -3.882 17.969 1.081 1.00 0.00 C ATOM 703 C PRO A 51 -3.129 16.751 1.605 1.00 0.00 C ATOM 704 O PRO A 51 -1.967 16.534 1.261 1.00 0.00 O ATOM 705 CB PRO A 51 -3.331 19.251 1.711 1.00 0.00 C ATOM 706 CG PRO A 51 -4.223 19.514 2.875 1.00 0.00 C ATOM 707 CD PRO A 51 -5.586 19.023 2.472 1.00 0.00 C ATOM 0 HA PRO A 51 -3.769 17.928 -0.002 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -2.295 19.124 2.026 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -3.349 20.080 1.003 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -3.868 18.993 3.764 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -4.247 20.577 3.116 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -6.140 18.631 3.325 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -6.189 19.821 2.039 1.00 0.00 H new ATOM 715 N GLN A 52 -3.798 15.961 2.438 1.00 0.00 N ATOM 716 CA GLN A 52 -3.190 14.765 3.010 1.00 0.00 C ATOM 717 C GLN A 52 -3.096 13.653 1.971 1.00 0.00 C ATOM 718 O GLN A 52 -2.003 13.197 1.633 1.00 0.00 O ATOM 719 CB GLN A 52 -3.997 14.285 4.217 1.00 0.00 C ATOM 720 CG GLN A 52 -3.588 14.945 5.524 1.00 0.00 C ATOM 721 CD GLN A 52 -4.578 14.687 6.643 1.00 0.00 C ATOM 722 OE1 GLN A 52 -4.389 13.784 7.459 1.00 0.00 O ATOM 723 NE2 GLN A 52 -5.641 15.481 6.688 1.00 0.00 N ATOM 0 H GLN A 52 -4.761 16.127 2.732 1.00 0.00 H new ATOM 0 HA GLN A 52 -2.181 15.020 3.335 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -5.054 14.479 4.037 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -3.883 13.205 4.314 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -2.606 14.577 5.821 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -3.492 16.020 5.369 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -5.758 16.217 5.991 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -6.341 15.355 7.419 1.00 0.00 H new ATOM 732 N CYS A 53 -4.247 13.220 1.469 1.00 0.00 N ATOM 733 CA CYS A 53 -4.295 12.160 0.469 1.00 0.00 C ATOM 734 C CYS A 53 -3.142 12.293 -0.521 1.00 0.00 C ATOM 735 O CYS A 53 -2.622 11.297 -1.022 1.00 0.00 O ATOM 736 CB CYS A 53 -5.630 12.193 -0.277 1.00 0.00 C ATOM 737 SG CYS A 53 -5.681 13.372 -1.647 1.00 0.00 S ATOM 0 H CYS A 53 -5.160 13.587 1.738 1.00 0.00 H new ATOM 0 HA CYS A 53 -4.199 11.204 0.984 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -5.844 11.196 -0.662 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -6.423 12.439 0.429 1.00 0.00 H new ATOM 0 HG CYS A 53 -6.787 14.053 -1.593 1.00 0.00 H new ATOM 743 N ALA A 54 -2.748 13.532 -0.799 1.00 0.00 N ATOM 744 CA ALA A 54 -1.657 13.796 -1.728 1.00 0.00 C ATOM 745 C ALA A 54 -0.399 13.034 -1.328 1.00 0.00 C ATOM 746 O ALA A 54 0.003 12.084 -2.001 1.00 0.00 O ATOM 747 CB ALA A 54 -1.372 15.289 -1.797 1.00 0.00 C ATOM 0 H ALA A 54 -3.169 14.368 -0.394 1.00 0.00 H new ATOM 0 HA ALA A 54 -1.962 13.449 -2.715 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -0.555 15.472 -2.495 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -2.264 15.814 -2.138 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -1.093 15.652 -0.808 1.00 0.00 H new ATOM 753 N GLN A 55 0.219 13.456 -0.230 1.00 0.00 N ATOM 754 CA GLN A 55 1.434 12.813 0.258 1.00 0.00 C ATOM 755 C GLN A 55 1.227 11.310 0.419 1.00 0.00 C ATOM 756 O GLN A 55 2.159 10.524 0.249 1.00 0.00 O ATOM 757 CB GLN A 55 1.860 13.426 1.593 1.00 0.00 C ATOM 758 CG GLN A 55 1.328 12.678 2.804 1.00 0.00 C ATOM 759 CD GLN A 55 2.268 11.586 3.275 1.00 0.00 C ATOM 760 OE1 GLN A 55 3.161 11.153 2.393 1.00 0.00 O flip ATOM 761 NE2 GLN A 55 2.192 11.136 4.419 1.00 0.00 N flip ATOM 0 H GLN A 55 -0.101 14.240 0.339 1.00 0.00 H new ATOM 0 HA GLN A 55 2.222 12.977 -0.477 1.00 0.00 H new ATOM 0 HB2 GLN A 55 2.949 13.450 1.641 1.00 0.00 H new ATOM 0 HB3 GLN A 55 1.516 14.459 1.635 1.00 0.00 H new ATOM 0 HG2 GLN A 55 1.161 13.384 3.618 1.00 0.00 H new ATOM 0 HG3 GLN A 55 0.361 12.239 2.559 1.00 0.00 H new ATOM 0 HE21 GLN A 55 1.490 11.499 5.064 1.00 0.00 H new ATOM 0 HE22 GLN A 55 2.831 10.401 4.721 1.00 0.00 H new ATOM 770 N MET A 56 0.000 10.918 0.747 1.00 0.00 N ATOM 771 CA MET A 56 -0.328 9.509 0.929 1.00 0.00 C ATOM 772 C MET A 56 -0.362 8.781 -0.410 1.00 0.00 C ATOM 773 O MET A 56 0.000 7.609 -0.499 1.00 0.00 O ATOM 774 CB MET A 56 -1.678 9.366 1.636 1.00 0.00 C ATOM 775 CG MET A 56 -1.729 10.048 2.993 1.00 0.00 C ATOM 776 SD MET A 56 -0.221 9.803 3.950 1.00 0.00 S ATOM 777 CE MET A 56 -0.035 8.025 3.842 1.00 0.00 C ATOM 0 H MET A 56 -0.783 11.556 0.892 1.00 0.00 H new ATOM 0 HA MET A 56 0.448 9.057 1.547 1.00 0.00 H new ATOM 0 HB2 MET A 56 -2.458 9.783 0.999 1.00 0.00 H new ATOM 0 HB3 MET A 56 -1.902 8.307 1.762 1.00 0.00 H new ATOM 0 HG2 MET A 56 -1.896 11.116 2.853 1.00 0.00 H new ATOM 0 HG3 MET A 56 -2.579 9.664 3.557 1.00 0.00 H new ATOM 0 HE1 MET A 56 0.463 7.656 4.739 1.00 0.00 H new ATOM 0 HE2 MET A 56 -1.018 7.561 3.756 1.00 0.00 H new ATOM 0 HE3 MET A 56 0.563 7.774 2.966 1.00 0.00 H new ATOM 787 N ASN A 57 -0.800 9.484 -1.450 1.00 0.00 N ATOM 788 CA ASN A 57 -0.882 8.903 -2.785 1.00 0.00 C ATOM 789 C ASN A 57 0.491 8.437 -3.261 1.00 0.00 C ATOM 790 O ASN A 57 0.638 7.326 -3.768 1.00 0.00 O ATOM 791 CB ASN A 57 -1.457 9.921 -3.772 1.00 0.00 C ATOM 792 CG ASN A 57 -2.973 9.883 -3.825 1.00 0.00 C ATOM 793 OD1 ASN A 57 -3.571 8.828 -4.035 1.00 0.00 O ATOM 794 ND2 ASN A 57 -3.600 11.037 -3.633 1.00 0.00 N ATOM 0 H ASN A 57 -1.103 10.456 -1.394 1.00 0.00 H new ATOM 0 HA ASN A 57 -1.544 8.038 -2.738 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -1.131 10.922 -3.489 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -1.056 9.725 -4.767 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -4.619 11.074 -3.656 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -3.063 11.887 -3.462 1.00 0.00 H new ATOM 801 N GLU A 58 1.492 9.295 -3.092 1.00 0.00 N ATOM 802 CA GLU A 58 2.853 8.970 -3.504 1.00 0.00 C ATOM 803 C GLU A 58 3.328 7.678 -2.845 1.00 0.00 C ATOM 804 O GLU A 58 3.710 6.725 -3.524 1.00 0.00 O ATOM 805 CB GLU A 58 3.804 10.116 -3.151 1.00 0.00 C ATOM 806 CG GLU A 58 3.568 11.376 -3.967 1.00 0.00 C ATOM 807 CD GLU A 58 3.918 11.196 -5.431 1.00 0.00 C ATOM 808 OE1 GLU A 58 3.154 10.514 -6.146 1.00 0.00 O ATOM 809 OE2 GLU A 58 4.957 11.739 -5.863 1.00 0.00 O ATOM 0 H GLU A 58 1.387 10.219 -2.673 1.00 0.00 H new ATOM 0 HA GLU A 58 2.853 8.827 -4.585 1.00 0.00 H new ATOM 0 HB2 GLU A 58 3.696 10.353 -2.093 1.00 0.00 H new ATOM 0 HB3 GLU A 58 4.831 9.784 -3.300 1.00 0.00 H new ATOM 0 HG2 GLU A 58 2.522 11.670 -3.881 1.00 0.00 H new ATOM 0 HG3 GLU A 58 4.163 12.190 -3.552 1.00 0.00 H new ATOM 816 N VAL A 59 3.301 7.655 -1.516 1.00 0.00 N ATOM 817 CA VAL A 59 3.728 6.482 -0.763 1.00 0.00 C ATOM 818 C VAL A 59 3.167 5.203 -1.375 1.00 0.00 C ATOM 819 O VAL A 59 3.892 4.228 -1.572 1.00 0.00 O ATOM 820 CB VAL A 59 3.288 6.569 0.710 1.00 0.00 C ATOM 821 CG1 VAL A 59 3.681 5.306 1.461 1.00 0.00 C ATOM 822 CG2 VAL A 59 3.887 7.801 1.372 1.00 0.00 C ATOM 0 H VAL A 59 2.988 8.436 -0.939 1.00 0.00 H new ATOM 0 HA VAL A 59 4.817 6.456 -0.808 1.00 0.00 H new ATOM 0 HB VAL A 59 2.202 6.658 0.742 1.00 0.00 H new ATOM 0 HG11 VAL A 59 3.362 5.386 2.500 1.00 0.00 H new ATOM 0 HG12 VAL A 59 3.200 4.444 0.999 1.00 0.00 H new ATOM 0 HG13 VAL A 59 4.763 5.182 1.423 1.00 0.00 H new ATOM 0 HG21 VAL A 59 3.566 7.847 2.413 1.00 0.00 H new ATOM 0 HG22 VAL A 59 4.975 7.744 1.330 1.00 0.00 H new ATOM 0 HG23 VAL A 59 3.550 8.696 0.848 1.00 0.00 H new ATOM 832 N MET A 60 1.872 5.214 -1.672 1.00 0.00 N ATOM 833 CA MET A 60 1.214 4.055 -2.264 1.00 0.00 C ATOM 834 C MET A 60 1.996 3.541 -3.468 1.00 0.00 C ATOM 835 O MET A 60 2.516 2.426 -3.452 1.00 0.00 O ATOM 836 CB MET A 60 -0.214 4.411 -2.682 1.00 0.00 C ATOM 837 CG MET A 60 -1.232 4.251 -1.565 1.00 0.00 C ATOM 838 SD MET A 60 -2.797 5.070 -1.929 1.00 0.00 S ATOM 839 CE MET A 60 -3.587 3.843 -2.968 1.00 0.00 C ATOM 0 H MET A 60 1.257 6.012 -1.513 1.00 0.00 H new ATOM 0 HA MET A 60 1.179 3.266 -1.513 1.00 0.00 H new ATOM 0 HB2 MET A 60 -0.234 5.442 -3.036 1.00 0.00 H new ATOM 0 HB3 MET A 60 -0.506 3.780 -3.522 1.00 0.00 H new ATOM 0 HG2 MET A 60 -1.413 3.190 -1.393 1.00 0.00 H new ATOM 0 HG3 MET A 60 -0.820 4.658 -0.642 1.00 0.00 H new ATOM 0 HE1 MET A 60 -4.453 4.286 -3.460 1.00 0.00 H new ATOM 0 HE2 MET A 60 -2.880 3.494 -3.721 1.00 0.00 H new ATOM 0 HE3 MET A 60 -3.909 3.001 -2.356 1.00 0.00 H new ATOM 849 N ALA A 61 2.075 4.362 -4.511 1.00 0.00 N ATOM 850 CA ALA A 61 2.795 3.990 -5.722 1.00 0.00 C ATOM 851 C ALA A 61 4.024 3.148 -5.394 1.00 0.00 C ATOM 852 O ALA A 61 4.197 2.054 -5.929 1.00 0.00 O ATOM 853 CB ALA A 61 3.198 5.235 -6.499 1.00 0.00 C ATOM 0 H ALA A 61 1.649 5.288 -4.541 1.00 0.00 H new ATOM 0 HA ALA A 61 2.129 3.388 -6.340 1.00 0.00 H new ATOM 0 HB1 ALA A 61 3.735 4.943 -7.401 1.00 0.00 H new ATOM 0 HB2 ALA A 61 2.305 5.797 -6.774 1.00 0.00 H new ATOM 0 HB3 ALA A 61 3.842 5.858 -5.879 1.00 0.00 H new ATOM 859 N GLU A 62 4.873 3.668 -4.513 1.00 0.00 N ATOM 860 CA GLU A 62 6.087 2.963 -4.117 1.00 0.00 C ATOM 861 C GLU A 62 5.766 1.543 -3.659 1.00 0.00 C ATOM 862 O GLU A 62 6.439 0.587 -4.046 1.00 0.00 O ATOM 863 CB GLU A 62 6.801 3.723 -2.997 1.00 0.00 C ATOM 864 CG GLU A 62 7.458 5.012 -3.460 1.00 0.00 C ATOM 865 CD GLU A 62 6.472 6.157 -3.586 1.00 0.00 C ATOM 866 OE1 GLU A 62 6.198 6.820 -2.565 1.00 0.00 O ATOM 867 OE2 GLU A 62 5.975 6.389 -4.708 1.00 0.00 O ATOM 0 H GLU A 62 4.743 4.573 -4.061 1.00 0.00 H new ATOM 0 HA GLU A 62 6.744 2.906 -4.985 1.00 0.00 H new ATOM 0 HB2 GLU A 62 6.083 3.953 -2.210 1.00 0.00 H new ATOM 0 HB3 GLU A 62 7.560 3.076 -2.557 1.00 0.00 H new ATOM 0 HG2 GLU A 62 8.242 5.289 -2.756 1.00 0.00 H new ATOM 0 HG3 GLU A 62 7.939 4.844 -4.423 1.00 0.00 H new ATOM 874 N LEU A 63 4.735 1.413 -2.831 1.00 0.00 N ATOM 875 CA LEU A 63 4.324 0.111 -2.319 1.00 0.00 C ATOM 876 C LEU A 63 3.826 -0.786 -3.448 1.00 0.00 C ATOM 877 O LEU A 63 4.181 -1.962 -3.523 1.00 0.00 O ATOM 878 CB LEU A 63 3.230 0.278 -1.264 1.00 0.00 C ATOM 879 CG LEU A 63 3.700 0.686 0.133 1.00 0.00 C ATOM 880 CD1 LEU A 63 2.519 1.118 0.989 1.00 0.00 C ATOM 881 CD2 LEU A 63 4.453 -0.458 0.797 1.00 0.00 C ATOM 0 H LEU A 63 4.168 2.194 -2.500 1.00 0.00 H new ATOM 0 HA LEU A 63 5.192 -0.362 -1.861 1.00 0.00 H new ATOM 0 HB2 LEU A 63 2.521 1.026 -1.620 1.00 0.00 H new ATOM 0 HB3 LEU A 63 2.686 -0.663 -1.182 1.00 0.00 H new ATOM 0 HG LEU A 63 4.379 1.533 0.034 1.00 0.00 H new ATOM 0 HD11 LEU A 63 2.873 1.405 1.979 1.00 0.00 H new ATOM 0 HD12 LEU A 63 2.022 1.968 0.521 1.00 0.00 H new ATOM 0 HD13 LEU A 63 1.814 0.291 1.081 1.00 0.00 H new ATOM 0 HD21 LEU A 63 4.780 -0.150 1.790 1.00 0.00 H new ATOM 0 HD22 LEU A 63 3.797 -1.324 0.883 1.00 0.00 H new ATOM 0 HD23 LEU A 63 5.322 -0.720 0.194 1.00 0.00 H new ATOM 893 N ALA A 64 3.003 -0.221 -4.325 1.00 0.00 N ATOM 894 CA ALA A 64 2.460 -0.968 -5.453 1.00 0.00 C ATOM 895 C ALA A 64 3.553 -1.754 -6.170 1.00 0.00 C ATOM 896 O ALA A 64 3.448 -2.968 -6.342 1.00 0.00 O ATOM 897 CB ALA A 64 1.762 -0.026 -6.423 1.00 0.00 C ATOM 0 H ALA A 64 2.698 0.751 -4.276 1.00 0.00 H new ATOM 0 HA ALA A 64 1.731 -1.681 -5.067 1.00 0.00 H new ATOM 0 HB1 ALA A 64 1.361 -0.597 -7.260 1.00 0.00 H new ATOM 0 HB2 ALA A 64 0.948 0.486 -5.910 1.00 0.00 H new ATOM 0 HB3 ALA A 64 2.476 0.709 -6.794 1.00 0.00 H new ATOM 903 N LYS A 65 4.602 -1.052 -6.586 1.00 0.00 N ATOM 904 CA LYS A 65 5.716 -1.683 -7.284 1.00 0.00 C ATOM 905 C LYS A 65 6.488 -2.610 -6.351 1.00 0.00 C ATOM 906 O LYS A 65 6.872 -3.714 -6.737 1.00 0.00 O ATOM 907 CB LYS A 65 6.655 -0.619 -7.855 1.00 0.00 C ATOM 908 CG LYS A 65 7.165 0.363 -6.814 1.00 0.00 C ATOM 909 CD LYS A 65 7.993 1.469 -7.449 1.00 0.00 C ATOM 910 CE LYS A 65 7.121 2.637 -7.885 1.00 0.00 C ATOM 911 NZ LYS A 65 6.299 2.300 -9.080 1.00 0.00 N ATOM 0 H LYS A 65 4.704 -0.046 -6.452 1.00 0.00 H new ATOM 0 HA LYS A 65 5.310 -2.277 -8.103 1.00 0.00 H new ATOM 0 HB2 LYS A 65 7.506 -1.112 -8.325 1.00 0.00 H new ATOM 0 HB3 LYS A 65 6.133 -0.068 -8.638 1.00 0.00 H new ATOM 0 HG2 LYS A 65 6.321 0.800 -6.280 1.00 0.00 H new ATOM 0 HG3 LYS A 65 7.768 -0.167 -6.077 1.00 0.00 H new ATOM 0 HD2 LYS A 65 8.742 1.818 -6.738 1.00 0.00 H new ATOM 0 HD3 LYS A 65 8.531 1.073 -8.311 1.00 0.00 H new ATOM 0 HE2 LYS A 65 6.466 2.927 -7.064 1.00 0.00 H new ATOM 0 HE3 LYS A 65 7.752 3.497 -8.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 6.159 3.154 -9.657 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 6.788 1.576 -9.645 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 5.375 1.934 -8.774 1.00 0.00 H new ATOM 925 N GLU A 66 6.710 -2.154 -5.122 1.00 0.00 N ATOM 926 CA GLU A 66 7.435 -2.945 -4.134 1.00 0.00 C ATOM 927 C GLU A 66 6.651 -4.198 -3.757 1.00 0.00 C ATOM 928 O GLU A 66 7.218 -5.177 -3.271 1.00 0.00 O ATOM 929 CB GLU A 66 7.714 -2.108 -2.884 1.00 0.00 C ATOM 930 CG GLU A 66 8.414 -2.880 -1.778 1.00 0.00 C ATOM 931 CD GLU A 66 9.891 -3.085 -2.054 1.00 0.00 C ATOM 932 OE1 GLU A 66 10.251 -3.297 -3.231 1.00 0.00 O ATOM 933 OE2 GLU A 66 10.686 -3.033 -1.093 1.00 0.00 O ATOM 0 H GLU A 66 6.399 -1.242 -4.787 1.00 0.00 H new ATOM 0 HA GLU A 66 8.383 -3.251 -4.576 1.00 0.00 H new ATOM 0 HB2 GLU A 66 8.327 -1.250 -3.161 1.00 0.00 H new ATOM 0 HB3 GLU A 66 6.771 -1.716 -2.502 1.00 0.00 H new ATOM 0 HG2 GLU A 66 8.295 -2.345 -0.836 1.00 0.00 H new ATOM 0 HG3 GLU A 66 7.933 -3.850 -1.657 1.00 0.00 H new ATOM 940 N LEU A 67 5.342 -4.159 -3.982 1.00 0.00 N ATOM 941 CA LEU A 67 4.477 -5.291 -3.666 1.00 0.00 C ATOM 942 C LEU A 67 3.544 -5.606 -4.831 1.00 0.00 C ATOM 943 O LEU A 67 2.426 -5.097 -4.917 1.00 0.00 O ATOM 944 CB LEU A 67 3.659 -4.996 -2.407 1.00 0.00 C ATOM 945 CG LEU A 67 4.459 -4.613 -1.161 1.00 0.00 C ATOM 946 CD1 LEU A 67 3.550 -3.981 -0.118 1.00 0.00 C ATOM 947 CD2 LEU A 67 5.167 -5.831 -0.587 1.00 0.00 C ATOM 0 H LEU A 67 4.856 -3.356 -4.382 1.00 0.00 H new ATOM 0 HA LEU A 67 5.109 -6.161 -3.486 1.00 0.00 H new ATOM 0 HB2 LEU A 67 2.964 -4.187 -2.631 1.00 0.00 H new ATOM 0 HB3 LEU A 67 3.059 -5.876 -2.173 1.00 0.00 H new ATOM 0 HG LEU A 67 5.214 -3.881 -1.447 1.00 0.00 H new ATOM 0 HD11 LEU A 67 4.136 -3.715 0.762 1.00 0.00 H new ATOM 0 HD12 LEU A 67 3.089 -3.084 -0.532 1.00 0.00 H new ATOM 0 HD13 LEU A 67 2.773 -4.691 0.165 1.00 0.00 H new ATOM 0 HD21 LEU A 67 5.731 -5.540 0.299 1.00 0.00 H new ATOM 0 HD22 LEU A 67 4.429 -6.586 -0.316 1.00 0.00 H new ATOM 0 HD23 LEU A 67 5.848 -6.241 -1.333 1.00 0.00 H new ATOM 959 N PRO A 68 4.012 -6.466 -5.748 1.00 0.00 N ATOM 960 CA PRO A 68 3.234 -6.870 -6.922 1.00 0.00 C ATOM 961 C PRO A 68 2.047 -7.754 -6.556 1.00 0.00 C ATOM 962 O PRO A 68 0.969 -7.633 -7.137 1.00 0.00 O ATOM 963 CB PRO A 68 4.244 -7.654 -7.764 1.00 0.00 C ATOM 964 CG PRO A 68 5.245 -8.158 -6.782 1.00 0.00 C ATOM 965 CD PRO A 68 5.335 -7.110 -5.708 1.00 0.00 C ATOM 0 HA PRO A 68 2.801 -6.013 -7.438 1.00 0.00 H new ATOM 0 HB2 PRO A 68 3.763 -8.475 -8.296 1.00 0.00 H new ATOM 0 HB3 PRO A 68 4.712 -7.018 -8.515 1.00 0.00 H new ATOM 0 HG2 PRO A 68 4.935 -9.117 -6.367 1.00 0.00 H new ATOM 0 HG3 PRO A 68 6.213 -8.314 -7.257 1.00 0.00 H new ATOM 0 HD2 PRO A 68 5.538 -7.551 -4.732 1.00 0.00 H new ATOM 0 HD3 PRO A 68 6.135 -6.397 -5.908 1.00 0.00 H new ATOM 973 N GLN A 69 2.252 -8.641 -5.587 1.00 0.00 N ATOM 974 CA GLN A 69 1.198 -9.545 -5.144 1.00 0.00 C ATOM 975 C GLN A 69 0.073 -8.776 -4.459 1.00 0.00 C ATOM 976 O GLN A 69 -0.960 -9.346 -4.109 1.00 0.00 O ATOM 977 CB GLN A 69 1.766 -10.597 -4.190 1.00 0.00 C ATOM 978 CG GLN A 69 2.090 -10.053 -2.808 1.00 0.00 C ATOM 979 CD GLN A 69 3.512 -9.538 -2.702 1.00 0.00 C ATOM 980 OE1 GLN A 69 3.725 -8.296 -3.122 1.00 0.00 O flip ATOM 981 NE2 GLN A 69 4.409 -10.247 -2.247 1.00 0.00 N flip ATOM 0 H GLN A 69 3.138 -8.752 -5.094 1.00 0.00 H new ATOM 0 HA GLN A 69 0.790 -10.044 -6.023 1.00 0.00 H new ATOM 0 HB2 GLN A 69 1.048 -11.412 -4.092 1.00 0.00 H new ATOM 0 HB3 GLN A 69 2.671 -11.020 -4.626 1.00 0.00 H new ATOM 0 HG2 GLN A 69 1.397 -9.247 -2.567 1.00 0.00 H new ATOM 0 HG3 GLN A 69 1.936 -10.838 -2.067 1.00 0.00 H new ATOM 0 HE21 GLN A 69 4.201 -11.196 -1.936 1.00 0.00 H new ATOM 0 HE22 GLN A 69 5.361 -9.886 -2.181 1.00 0.00 H new ATOM 990 N VAL A 70 0.281 -7.476 -4.271 1.00 0.00 N ATOM 991 CA VAL A 70 -0.716 -6.628 -3.629 1.00 0.00 C ATOM 992 C VAL A 70 -1.437 -5.757 -4.652 1.00 0.00 C ATOM 993 O VAL A 70 -0.844 -5.319 -5.638 1.00 0.00 O ATOM 994 CB VAL A 70 -0.076 -5.722 -2.560 1.00 0.00 C ATOM 995 CG1 VAL A 70 -1.106 -4.757 -1.992 1.00 0.00 C ATOM 996 CG2 VAL A 70 0.547 -6.561 -1.454 1.00 0.00 C ATOM 0 H VAL A 70 1.131 -6.988 -4.554 1.00 0.00 H new ATOM 0 HA VAL A 70 -1.436 -7.292 -3.150 1.00 0.00 H new ATOM 0 HB VAL A 70 0.715 -5.137 -3.030 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -0.636 -4.125 -1.238 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -1.501 -4.133 -2.794 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -1.920 -5.321 -1.536 1.00 0.00 H new ATOM 0 HG21 VAL A 70 0.994 -5.905 -0.708 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -0.223 -7.173 -0.984 1.00 0.00 H new ATOM 0 HG23 VAL A 70 1.316 -7.207 -1.877 1.00 0.00 H new ATOM 1006 N SER A 71 -2.720 -5.510 -4.410 1.00 0.00 N ATOM 1007 CA SER A 71 -3.525 -4.693 -5.311 1.00 0.00 C ATOM 1008 C SER A 71 -3.967 -3.403 -4.628 1.00 0.00 C ATOM 1009 O SER A 71 -4.845 -3.415 -3.764 1.00 0.00 O ATOM 1010 CB SER A 71 -4.749 -5.477 -5.788 1.00 0.00 C ATOM 1011 OG SER A 71 -4.370 -6.558 -6.623 1.00 0.00 O ATOM 0 H SER A 71 -3.225 -5.864 -3.597 1.00 0.00 H new ATOM 0 HA SER A 71 -2.910 -4.434 -6.173 1.00 0.00 H new ATOM 0 HB2 SER A 71 -5.301 -5.855 -4.927 1.00 0.00 H new ATOM 0 HB3 SER A 71 -5.421 -4.813 -6.331 1.00 0.00 H new ATOM 0 HG SER A 71 -4.670 -7.401 -6.223 1.00 0.00 H new ATOM 1017 N PHE A 72 -3.354 -2.292 -5.020 1.00 0.00 N ATOM 1018 CA PHE A 72 -3.682 -0.993 -4.445 1.00 0.00 C ATOM 1019 C PHE A 72 -4.721 -0.269 -5.297 1.00 0.00 C ATOM 1020 O PHE A 72 -4.587 -0.180 -6.517 1.00 0.00 O ATOM 1021 CB PHE A 72 -2.422 -0.134 -4.318 1.00 0.00 C ATOM 1022 CG PHE A 72 -1.456 -0.638 -3.283 1.00 0.00 C ATOM 1023 CD1 PHE A 72 -0.631 -1.717 -3.554 1.00 0.00 C ATOM 1024 CD2 PHE A 72 -1.373 -0.031 -2.041 1.00 0.00 C ATOM 1025 CE1 PHE A 72 0.258 -2.183 -2.604 1.00 0.00 C ATOM 1026 CE2 PHE A 72 -0.485 -0.492 -1.087 1.00 0.00 C ATOM 1027 CZ PHE A 72 0.332 -1.568 -1.369 1.00 0.00 C ATOM 0 H PHE A 72 -2.626 -2.265 -5.734 1.00 0.00 H new ATOM 0 HA PHE A 72 -4.102 -1.158 -3.453 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -1.919 -0.095 -5.284 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -2.711 0.887 -4.068 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -0.683 -2.200 -4.519 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -2.009 0.812 -1.815 1.00 0.00 H new ATOM 0 HE1 PHE A 72 0.894 -3.027 -2.827 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -0.431 -0.011 -0.122 1.00 0.00 H new ATOM 0 HZ PHE A 72 1.028 -1.929 -0.626 1.00 0.00 H new ATOM 1037 N VAL A 73 -5.757 0.248 -4.643 1.00 0.00 N ATOM 1038 CA VAL A 73 -6.819 0.965 -5.339 1.00 0.00 C ATOM 1039 C VAL A 73 -7.292 2.167 -4.529 1.00 0.00 C ATOM 1040 O VAL A 73 -7.561 2.056 -3.332 1.00 0.00 O ATOM 1041 CB VAL A 73 -8.022 0.047 -5.626 1.00 0.00 C ATOM 1042 CG1 VAL A 73 -7.642 -1.034 -6.626 1.00 0.00 C ATOM 1043 CG2 VAL A 73 -8.542 -0.568 -4.335 1.00 0.00 C ATOM 0 H VAL A 73 -5.883 0.184 -3.633 1.00 0.00 H new ATOM 0 HA VAL A 73 -6.401 1.309 -6.285 1.00 0.00 H new ATOM 0 HB VAL A 73 -8.820 0.648 -6.063 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -8.504 -1.673 -6.816 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -7.321 -0.570 -7.559 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -6.828 -1.635 -6.221 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -9.392 -1.214 -4.556 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -7.752 -1.156 -3.868 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -8.855 0.224 -3.655 1.00 0.00 H new ATOM 1053 N LYS A 74 -7.393 3.316 -5.189 1.00 0.00 N ATOM 1054 CA LYS A 74 -7.836 4.540 -4.532 1.00 0.00 C ATOM 1055 C LYS A 74 -9.273 4.874 -4.917 1.00 0.00 C ATOM 1056 O LYS A 74 -9.744 4.494 -5.991 1.00 0.00 O ATOM 1057 CB LYS A 74 -6.914 5.704 -4.901 1.00 0.00 C ATOM 1058 CG LYS A 74 -7.122 6.221 -6.313 1.00 0.00 C ATOM 1059 CD LYS A 74 -6.268 5.464 -7.317 1.00 0.00 C ATOM 1060 CE LYS A 74 -5.961 6.314 -8.540 1.00 0.00 C ATOM 1061 NZ LYS A 74 -5.282 5.526 -9.606 1.00 0.00 N ATOM 0 H LYS A 74 -7.174 3.425 -6.179 1.00 0.00 H new ATOM 0 HA LYS A 74 -7.795 4.380 -3.455 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -7.074 6.521 -4.197 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -5.878 5.385 -4.789 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -8.173 6.127 -6.584 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -6.876 7.282 -6.352 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -5.336 5.155 -6.844 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -6.786 4.555 -7.625 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -6.887 6.734 -8.933 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -5.329 7.153 -8.250 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -5.390 6.012 -10.519 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -4.271 5.435 -9.380 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -5.710 4.580 -9.665 1.00 0.00 H new ATOM 1075 N LEU A 75 -9.966 5.589 -4.037 1.00 0.00 N ATOM 1076 CA LEU A 75 -11.350 5.976 -4.286 1.00 0.00 C ATOM 1077 C LEU A 75 -11.629 7.376 -3.747 1.00 0.00 C ATOM 1078 O LEU A 75 -11.309 7.683 -2.599 1.00 0.00 O ATOM 1079 CB LEU A 75 -12.306 4.970 -3.644 1.00 0.00 C ATOM 1080 CG LEU A 75 -13.796 5.302 -3.741 1.00 0.00 C ATOM 1081 CD1 LEU A 75 -14.624 4.028 -3.807 1.00 0.00 C ATOM 1082 CD2 LEU A 75 -14.228 6.161 -2.562 1.00 0.00 C ATOM 0 H LEU A 75 -9.592 5.912 -3.145 1.00 0.00 H new ATOM 0 HA LEU A 75 -11.511 5.983 -5.364 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -12.141 3.997 -4.106 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -12.044 4.872 -2.590 1.00 0.00 H new ATOM 0 HG LEU A 75 -13.964 5.867 -4.658 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -15.681 4.284 -3.876 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -14.333 3.450 -4.684 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -14.452 3.435 -2.909 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -15.291 6.388 -2.647 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -14.045 5.622 -1.633 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -13.658 7.090 -2.560 1.00 0.00 H new ATOM 1094 N GLU A 76 -12.231 8.217 -4.582 1.00 0.00 N ATOM 1095 CA GLU A 76 -12.554 9.583 -4.187 1.00 0.00 C ATOM 1096 C GLU A 76 -13.888 9.635 -3.447 1.00 0.00 C ATOM 1097 O GLU A 76 -14.949 9.470 -4.048 1.00 0.00 O ATOM 1098 CB GLU A 76 -12.604 10.495 -5.415 1.00 0.00 C ATOM 1099 CG GLU A 76 -12.274 11.946 -5.110 1.00 0.00 C ATOM 1100 CD GLU A 76 -12.643 12.880 -6.246 1.00 0.00 C ATOM 1101 OE1 GLU A 76 -13.704 12.668 -6.868 1.00 0.00 O ATOM 1102 OE2 GLU A 76 -11.868 13.823 -6.513 1.00 0.00 O ATOM 0 H GLU A 76 -12.505 7.977 -5.535 1.00 0.00 H new ATOM 0 HA GLU A 76 -11.771 9.934 -3.515 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -11.904 10.122 -6.163 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -13.600 10.443 -5.856 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -12.802 12.252 -4.207 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -11.208 12.036 -4.902 1.00 0.00 H new ATOM 1109 N ALA A 77 -13.824 9.863 -2.140 1.00 0.00 N ATOM 1110 CA ALA A 77 -15.026 9.937 -1.318 1.00 0.00 C ATOM 1111 C ALA A 77 -16.057 10.875 -1.937 1.00 0.00 C ATOM 1112 O ALA A 77 -17.254 10.589 -1.926 1.00 0.00 O ATOM 1113 CB ALA A 77 -14.675 10.393 0.091 1.00 0.00 C ATOM 0 H ALA A 77 -12.953 10.000 -1.627 1.00 0.00 H new ATOM 0 HA ALA A 77 -15.463 8.940 -1.267 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -15.582 10.444 0.694 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -13.980 9.684 0.540 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -14.211 11.379 0.050 1.00 0.00 H new ATOM 1119 N GLU A 78 -15.585 11.994 -2.476 1.00 0.00 N ATOM 1120 CA GLU A 78 -16.468 12.974 -3.098 1.00 0.00 C ATOM 1121 C GLU A 78 -16.870 12.529 -4.501 1.00 0.00 C ATOM 1122 O GLU A 78 -17.855 13.012 -5.058 1.00 0.00 O ATOM 1123 CB GLU A 78 -15.785 14.342 -3.161 1.00 0.00 C ATOM 1124 CG GLU A 78 -15.887 15.133 -1.868 1.00 0.00 C ATOM 1125 CD GLU A 78 -15.778 16.629 -2.089 1.00 0.00 C ATOM 1126 OE1 GLU A 78 -15.166 17.037 -3.098 1.00 0.00 O ATOM 1127 OE2 GLU A 78 -16.305 17.392 -1.252 1.00 0.00 O ATOM 0 H GLU A 78 -14.597 12.245 -2.495 1.00 0.00 H new ATOM 0 HA GLU A 78 -17.368 13.054 -2.488 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -14.733 14.202 -3.410 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -16.229 14.924 -3.969 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -16.838 14.909 -1.384 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -15.099 14.812 -1.187 1.00 0.00 H new ATOM 1134 N GLY A 79 -16.100 11.605 -5.067 1.00 0.00 N ATOM 1135 CA GLY A 79 -16.391 11.111 -6.400 1.00 0.00 C ATOM 1136 C GLY A 79 -17.382 9.964 -6.389 1.00 0.00 C ATOM 1137 O GLY A 79 -18.460 10.060 -6.976 1.00 0.00 O ATOM 0 H GLY A 79 -15.279 11.190 -4.626 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -16.788 11.925 -7.007 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -15.465 10.783 -6.873 1.00 0.00 H new ATOM 1141 N VAL A 80 -17.016 8.874 -5.722 1.00 0.00 N ATOM 1142 CA VAL A 80 -17.880 7.703 -5.638 1.00 0.00 C ATOM 1143 C VAL A 80 -18.479 7.561 -4.244 1.00 0.00 C ATOM 1144 O VAL A 80 -17.993 6.799 -3.407 1.00 0.00 O ATOM 1145 CB VAL A 80 -17.114 6.414 -5.990 1.00 0.00 C ATOM 1146 CG1 VAL A 80 -18.068 5.232 -6.077 1.00 0.00 C ATOM 1147 CG2 VAL A 80 -16.347 6.588 -7.292 1.00 0.00 C ATOM 0 H VAL A 80 -16.127 8.778 -5.232 1.00 0.00 H new ATOM 0 HA VAL A 80 -18.682 7.849 -6.361 1.00 0.00 H new ATOM 0 HB VAL A 80 -16.395 6.212 -5.196 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -17.509 4.330 -6.327 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -18.567 5.096 -5.117 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -18.813 5.422 -6.849 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -15.812 5.667 -7.525 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -17.045 6.816 -8.098 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -15.634 7.406 -7.188 1.00 0.00 H new ATOM 1157 N PRO A 81 -19.561 8.310 -3.985 1.00 0.00 N ATOM 1158 CA PRO A 81 -20.251 8.284 -2.692 1.00 0.00 C ATOM 1159 C PRO A 81 -20.984 6.969 -2.452 1.00 0.00 C ATOM 1160 O PRO A 81 -21.210 6.574 -1.309 1.00 0.00 O ATOM 1161 CB PRO A 81 -21.249 9.440 -2.800 1.00 0.00 C ATOM 1162 CG PRO A 81 -21.489 9.598 -4.261 1.00 0.00 C ATOM 1163 CD PRO A 81 -20.194 9.239 -4.936 1.00 0.00 C ATOM 0 HA PRO A 81 -19.556 8.378 -1.857 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -22.174 9.215 -2.269 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -20.845 10.354 -2.364 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -22.297 8.947 -4.596 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -21.783 10.620 -4.500 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -20.362 8.769 -5.905 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -19.575 10.119 -5.111 1.00 0.00 H new ATOM 1171 N GLU A 82 -21.352 6.295 -3.537 1.00 0.00 N ATOM 1172 CA GLU A 82 -22.059 5.024 -3.443 1.00 0.00 C ATOM 1173 C GLU A 82 -21.327 4.061 -2.512 1.00 0.00 C ATOM 1174 O GLU A 82 -21.946 3.375 -1.698 1.00 0.00 O ATOM 1175 CB GLU A 82 -22.210 4.394 -4.829 1.00 0.00 C ATOM 1176 CG GLU A 82 -23.044 3.124 -4.834 1.00 0.00 C ATOM 1177 CD GLU A 82 -24.479 3.368 -4.407 1.00 0.00 C ATOM 1178 OE1 GLU A 82 -24.952 4.516 -4.540 1.00 0.00 O ATOM 1179 OE2 GLU A 82 -25.129 2.409 -3.940 1.00 0.00 O ATOM 0 H GLU A 82 -21.172 6.608 -4.491 1.00 0.00 H new ATOM 0 HA GLU A 82 -23.049 5.219 -3.031 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -22.666 5.121 -5.501 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -21.220 4.170 -5.227 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -23.035 2.691 -5.834 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -22.589 2.392 -4.166 1.00 0.00 H new ATOM 1186 N VAL A 83 -20.005 4.016 -2.638 1.00 0.00 N ATOM 1187 CA VAL A 83 -19.187 3.139 -1.809 1.00 0.00 C ATOM 1188 C VAL A 83 -18.981 3.731 -0.419 1.00 0.00 C ATOM 1189 O VAL A 83 -19.275 3.091 0.590 1.00 0.00 O ATOM 1190 CB VAL A 83 -17.812 2.878 -2.453 1.00 0.00 C ATOM 1191 CG1 VAL A 83 -16.917 2.096 -1.504 1.00 0.00 C ATOM 1192 CG2 VAL A 83 -17.975 2.141 -3.774 1.00 0.00 C ATOM 0 H VAL A 83 -19.477 4.577 -3.307 1.00 0.00 H new ATOM 0 HA VAL A 83 -19.724 2.194 -1.723 1.00 0.00 H new ATOM 0 HB VAL A 83 -17.336 3.838 -2.654 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -15.950 1.921 -1.976 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -16.774 2.666 -0.586 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -17.384 1.140 -1.269 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -16.994 1.965 -4.216 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -18.471 1.186 -3.599 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -18.576 2.743 -4.455 1.00 0.00 H new ATOM 1202 N SER A 84 -18.473 4.959 -0.375 1.00 0.00 N ATOM 1203 CA SER A 84 -18.224 5.638 0.891 1.00 0.00 C ATOM 1204 C SER A 84 -19.408 5.472 1.839 1.00 0.00 C ATOM 1205 O SER A 84 -19.232 5.211 3.028 1.00 0.00 O ATOM 1206 CB SER A 84 -17.952 7.124 0.652 1.00 0.00 C ATOM 1207 OG SER A 84 -16.917 7.307 -0.299 1.00 0.00 O ATOM 0 H SER A 84 -18.226 5.504 -1.201 1.00 0.00 H new ATOM 0 HA SER A 84 -17.346 5.185 1.351 1.00 0.00 H new ATOM 0 HB2 SER A 84 -18.862 7.612 0.302 1.00 0.00 H new ATOM 0 HB3 SER A 84 -17.675 7.602 1.592 1.00 0.00 H new ATOM 0 HG SER A 84 -17.295 7.666 -1.129 1.00 0.00 H new ATOM 1213 N GLU A 85 -20.614 5.625 1.301 1.00 0.00 N ATOM 1214 CA GLU A 85 -21.828 5.493 2.099 1.00 0.00 C ATOM 1215 C GLU A 85 -21.874 4.138 2.799 1.00 0.00 C ATOM 1216 O GLU A 85 -21.928 4.062 4.027 1.00 0.00 O ATOM 1217 CB GLU A 85 -23.066 5.665 1.217 1.00 0.00 C ATOM 1218 CG GLU A 85 -23.499 7.112 1.052 1.00 0.00 C ATOM 1219 CD GLU A 85 -24.985 7.249 0.782 1.00 0.00 C ATOM 1220 OE1 GLU A 85 -25.767 6.467 1.362 1.00 0.00 O ATOM 1221 OE2 GLU A 85 -25.366 8.138 -0.008 1.00 0.00 O ATOM 0 H GLU A 85 -20.777 5.840 0.317 1.00 0.00 H new ATOM 0 HA GLU A 85 -21.820 6.275 2.858 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -22.863 5.241 0.234 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -23.890 5.095 1.646 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -23.245 7.669 1.954 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -22.941 7.563 0.231 1.00 0.00 H new ATOM 1228 N LYS A 86 -21.852 3.069 2.010 1.00 0.00 N ATOM 1229 CA LYS A 86 -21.891 1.716 2.551 1.00 0.00 C ATOM 1230 C LYS A 86 -21.092 1.626 3.848 1.00 0.00 C ATOM 1231 O LYS A 86 -21.646 1.349 4.912 1.00 0.00 O ATOM 1232 CB LYS A 86 -21.338 0.720 1.530 1.00 0.00 C ATOM 1233 CG LYS A 86 -21.389 -0.724 1.999 1.00 0.00 C ATOM 1234 CD LYS A 86 -20.531 -1.624 1.126 1.00 0.00 C ATOM 1235 CE LYS A 86 -21.281 -2.071 -0.120 1.00 0.00 C ATOM 1236 NZ LYS A 86 -22.073 -3.308 0.123 1.00 0.00 N ATOM 0 H LYS A 86 -21.807 3.114 0.992 1.00 0.00 H new ATOM 0 HA LYS A 86 -22.930 1.467 2.766 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -21.903 0.812 0.602 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -20.305 0.983 1.301 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -21.047 -0.784 3.032 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -22.420 -1.076 1.984 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -19.624 -1.094 0.835 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -20.220 -2.498 1.698 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -21.946 -1.273 -0.449 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -20.571 -2.247 -0.928 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -22.569 -3.580 -0.750 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -21.436 -4.077 0.413 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -22.768 -3.133 0.876 1.00 0.00 H new ATOM 1250 N TYR A 87 -19.789 1.863 3.752 1.00 0.00 N ATOM 1251 CA TYR A 87 -18.914 1.808 4.917 1.00 0.00 C ATOM 1252 C TYR A 87 -19.039 3.078 5.753 1.00 0.00 C ATOM 1253 O TYR A 87 -18.526 3.152 6.869 1.00 0.00 O ATOM 1254 CB TYR A 87 -17.461 1.612 4.481 1.00 0.00 C ATOM 1255 CG TYR A 87 -17.256 0.416 3.579 1.00 0.00 C ATOM 1256 CD1 TYR A 87 -16.966 -0.836 4.108 1.00 0.00 C ATOM 1257 CD2 TYR A 87 -17.350 0.538 2.199 1.00 0.00 C ATOM 1258 CE1 TYR A 87 -16.777 -1.932 3.288 1.00 0.00 C ATOM 1259 CE2 TYR A 87 -17.164 -0.553 1.371 1.00 0.00 C ATOM 1260 CZ TYR A 87 -16.878 -1.785 1.920 1.00 0.00 C ATOM 1261 OH TYR A 87 -16.690 -2.873 1.099 1.00 0.00 O ATOM 0 H TYR A 87 -19.315 2.095 2.879 1.00 0.00 H new ATOM 0 HA TYR A 87 -19.220 0.960 5.530 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -17.121 2.509 3.964 1.00 0.00 H new ATOM 0 HB3 TYR A 87 -16.836 1.500 5.367 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -16.887 -0.954 5.179 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -17.572 1.502 1.765 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -16.552 -2.898 3.715 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -17.242 -0.441 0.300 1.00 0.00 H new ATOM 0 HH TYR A 87 -15.731 -3.052 1.008 1.00 0.00 H new ATOM 1271 N GLU A 88 -19.724 4.076 5.203 1.00 0.00 N ATOM 1272 CA GLU A 88 -19.917 5.344 5.897 1.00 0.00 C ATOM 1273 C GLU A 88 -18.579 6.031 6.155 1.00 0.00 C ATOM 1274 O GLU A 88 -18.343 6.564 7.240 1.00 0.00 O ATOM 1275 CB GLU A 88 -20.652 5.120 7.220 1.00 0.00 C ATOM 1276 CG GLU A 88 -21.897 4.259 7.087 1.00 0.00 C ATOM 1277 CD GLU A 88 -22.781 4.318 8.318 1.00 0.00 C ATOM 1278 OE1 GLU A 88 -22.448 3.649 9.319 1.00 0.00 O ATOM 1279 OE2 GLU A 88 -23.805 5.032 8.280 1.00 0.00 O ATOM 0 H GLU A 88 -20.154 4.031 4.279 1.00 0.00 H new ATOM 0 HA GLU A 88 -20.521 5.990 5.260 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -19.970 4.651 7.930 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -20.932 6.087 7.638 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -22.468 4.585 6.218 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -21.602 3.226 6.905 1.00 0.00 H new ATOM 1286 N ILE A 89 -17.708 6.014 5.152 1.00 0.00 N ATOM 1287 CA ILE A 89 -16.395 6.635 5.270 1.00 0.00 C ATOM 1288 C ILE A 89 -16.490 8.151 5.129 1.00 0.00 C ATOM 1289 O ILE A 89 -16.292 8.697 4.043 1.00 0.00 O ATOM 1290 CB ILE A 89 -15.418 6.092 4.210 1.00 0.00 C ATOM 1291 CG1 ILE A 89 -15.205 4.590 4.404 1.00 0.00 C ATOM 1292 CG2 ILE A 89 -14.092 6.834 4.283 1.00 0.00 C ATOM 1293 CD1 ILE A 89 -14.132 4.257 5.416 1.00 0.00 C ATOM 0 H ILE A 89 -17.888 5.577 4.248 1.00 0.00 H new ATOM 0 HA ILE A 89 -16.016 6.387 6.262 1.00 0.00 H new ATOM 0 HB ILE A 89 -15.849 6.254 3.222 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -16.144 4.136 4.720 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -14.941 4.142 3.446 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -13.412 6.439 3.528 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -14.259 7.896 4.101 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -13.654 6.699 5.272 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -14.036 3.175 5.502 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -13.182 4.681 5.092 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -14.404 4.675 6.385 1.00 0.00 H new ATOM 1305 N SER A 90 -16.792 8.825 6.234 1.00 0.00 N ATOM 1306 CA SER A 90 -16.914 10.278 6.233 1.00 0.00 C ATOM 1307 C SER A 90 -15.675 10.928 6.842 1.00 0.00 C ATOM 1308 O SER A 90 -15.774 11.902 7.588 1.00 0.00 O ATOM 1309 CB SER A 90 -18.161 10.706 7.009 1.00 0.00 C ATOM 1310 OG SER A 90 -19.322 10.611 6.202 1.00 0.00 O ATOM 0 H SER A 90 -16.957 8.388 7.141 1.00 0.00 H new ATOM 0 HA SER A 90 -17.006 10.610 5.199 1.00 0.00 H new ATOM 0 HB2 SER A 90 -18.276 10.078 7.893 1.00 0.00 H new ATOM 0 HB3 SER A 90 -18.041 11.731 7.360 1.00 0.00 H new ATOM 0 HG SER A 90 -20.105 10.888 6.722 1.00 0.00 H new ATOM 1316 N SER A 91 -14.508 10.381 6.517 1.00 0.00 N ATOM 1317 CA SER A 91 -13.249 10.904 7.034 1.00 0.00 C ATOM 1318 C SER A 91 -12.083 10.501 6.135 1.00 0.00 C ATOM 1319 O SER A 91 -11.998 9.358 5.685 1.00 0.00 O ATOM 1320 CB SER A 91 -13.008 10.399 8.457 1.00 0.00 C ATOM 1321 OG SER A 91 -13.596 11.265 9.412 1.00 0.00 O ATOM 0 H SER A 91 -14.408 9.576 5.898 1.00 0.00 H new ATOM 0 HA SER A 91 -13.315 11.992 7.049 1.00 0.00 H new ATOM 0 HB2 SER A 91 -13.423 9.397 8.566 1.00 0.00 H new ATOM 0 HB3 SER A 91 -11.937 10.322 8.642 1.00 0.00 H new ATOM 0 HG SER A 91 -14.405 11.668 9.034 1.00 0.00 H new ATOM 1327 N VAL A 92 -11.187 11.448 5.878 1.00 0.00 N ATOM 1328 CA VAL A 92 -10.026 11.193 5.034 1.00 0.00 C ATOM 1329 C VAL A 92 -8.809 11.970 5.524 1.00 0.00 C ATOM 1330 O VAL A 92 -8.925 13.021 6.155 1.00 0.00 O ATOM 1331 CB VAL A 92 -10.304 11.569 3.567 1.00 0.00 C ATOM 1332 CG1 VAL A 92 -11.211 10.537 2.913 1.00 0.00 C ATOM 1333 CG2 VAL A 92 -10.917 12.959 3.481 1.00 0.00 C ATOM 0 H VAL A 92 -11.243 12.399 6.242 1.00 0.00 H new ATOM 0 HA VAL A 92 -9.820 10.124 5.094 1.00 0.00 H new ATOM 0 HB VAL A 92 -9.357 11.579 3.027 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -11.396 10.820 1.877 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -10.730 9.559 2.942 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -12.158 10.491 3.451 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -11.107 13.209 2.437 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -11.855 12.978 4.035 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -10.228 13.687 3.909 1.00 0.00 H new ATOM 1343 N PRO A 93 -7.612 11.442 5.228 1.00 0.00 N ATOM 1344 CA PRO A 93 -7.461 10.192 4.479 1.00 0.00 C ATOM 1345 C PRO A 93 -7.907 8.976 5.284 1.00 0.00 C ATOM 1346 O PRO A 93 -7.995 9.029 6.511 1.00 0.00 O ATOM 1347 CB PRO A 93 -5.958 10.125 4.198 1.00 0.00 C ATOM 1348 CG PRO A 93 -5.334 10.931 5.285 1.00 0.00 C ATOM 1349 CD PRO A 93 -6.313 12.026 5.603 1.00 0.00 C ATOM 0 HA PRO A 93 -8.077 10.179 3.580 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -5.598 9.096 4.211 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -5.720 10.533 3.216 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -5.138 10.316 6.163 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -4.377 11.344 4.965 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -6.284 12.297 6.658 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -6.101 12.932 5.035 1.00 0.00 H new ATOM 1357 N THR A 94 -8.187 7.880 4.586 1.00 0.00 N ATOM 1358 CA THR A 94 -8.625 6.651 5.236 1.00 0.00 C ATOM 1359 C THR A 94 -8.407 5.443 4.331 1.00 0.00 C ATOM 1360 O THR A 94 -8.746 5.472 3.148 1.00 0.00 O ATOM 1361 CB THR A 94 -10.112 6.722 5.629 1.00 0.00 C ATOM 1362 OG1 THR A 94 -10.276 7.569 6.772 1.00 0.00 O ATOM 1363 CG2 THR A 94 -10.657 5.336 5.937 1.00 0.00 C ATOM 0 H THR A 94 -8.118 7.818 3.570 1.00 0.00 H new ATOM 0 HA THR A 94 -8.024 6.539 6.138 1.00 0.00 H new ATOM 0 HB THR A 94 -10.668 7.135 4.788 1.00 0.00 H new ATOM 0 HG1 THR A 94 -10.890 8.301 6.552 1.00 0.00 H new ATOM 0 HG21 THR A 94 -11.709 5.412 6.212 1.00 0.00 H new ATOM 0 HG22 THR A 94 -10.557 4.702 5.056 1.00 0.00 H new ATOM 0 HG23 THR A 94 -10.096 4.900 6.764 1.00 0.00 H new ATOM 1371 N PHE A 95 -7.841 4.382 4.895 1.00 0.00 N ATOM 1372 CA PHE A 95 -7.579 3.163 4.138 1.00 0.00 C ATOM 1373 C PHE A 95 -8.485 2.027 4.604 1.00 0.00 C ATOM 1374 O PHE A 95 -8.963 2.025 5.740 1.00 0.00 O ATOM 1375 CB PHE A 95 -6.112 2.752 4.284 1.00 0.00 C ATOM 1376 CG PHE A 95 -5.145 3.852 3.947 1.00 0.00 C ATOM 1377 CD1 PHE A 95 -4.843 4.836 4.874 1.00 0.00 C ATOM 1378 CD2 PHE A 95 -4.539 3.901 2.702 1.00 0.00 C ATOM 1379 CE1 PHE A 95 -3.954 5.848 4.567 1.00 0.00 C ATOM 1380 CE2 PHE A 95 -3.649 4.911 2.389 1.00 0.00 C ATOM 1381 CZ PHE A 95 -3.357 5.886 3.322 1.00 0.00 C ATOM 0 H PHE A 95 -7.555 4.341 5.873 1.00 0.00 H new ATOM 0 HA PHE A 95 -7.790 3.365 3.088 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -5.935 2.425 5.308 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -5.917 1.896 3.638 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -5.308 4.812 5.848 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -4.765 3.142 1.968 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -3.726 6.608 5.299 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -3.182 4.938 1.415 1.00 0.00 H new ATOM 0 HZ PHE A 95 -2.663 6.677 3.079 1.00 0.00 H new ATOM 1391 N LEU A 96 -8.718 1.064 3.720 1.00 0.00 N ATOM 1392 CA LEU A 96 -9.568 -0.078 4.039 1.00 0.00 C ATOM 1393 C LEU A 96 -9.077 -1.337 3.331 1.00 0.00 C ATOM 1394 O LEU A 96 -9.227 -1.477 2.117 1.00 0.00 O ATOM 1395 CB LEU A 96 -11.016 0.212 3.643 1.00 0.00 C ATOM 1396 CG LEU A 96 -11.814 1.087 4.610 1.00 0.00 C ATOM 1397 CD1 LEU A 96 -13.199 1.376 4.051 1.00 0.00 C ATOM 1398 CD2 LEU A 96 -11.917 0.418 5.973 1.00 0.00 C ATOM 0 H LEU A 96 -8.330 1.051 2.777 1.00 0.00 H new ATOM 0 HA LEU A 96 -9.519 -0.246 5.115 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -11.015 0.694 2.665 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -11.538 -0.738 3.529 1.00 0.00 H new ATOM 0 HG LEU A 96 -11.288 2.034 4.730 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -13.752 2.000 4.753 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -13.105 1.897 3.098 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -13.734 0.438 3.900 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -12.488 1.055 6.649 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -12.419 -0.544 5.869 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -10.917 0.263 6.379 1.00 0.00 H new ATOM 1410 N PHE A 97 -8.493 -2.252 4.098 1.00 0.00 N ATOM 1411 CA PHE A 97 -7.981 -3.500 3.544 1.00 0.00 C ATOM 1412 C PHE A 97 -9.106 -4.514 3.359 1.00 0.00 C ATOM 1413 O PHE A 97 -9.815 -4.852 4.308 1.00 0.00 O ATOM 1414 CB PHE A 97 -6.899 -4.082 4.456 1.00 0.00 C ATOM 1415 CG PHE A 97 -5.807 -3.106 4.787 1.00 0.00 C ATOM 1416 CD1 PHE A 97 -5.996 -2.138 5.761 1.00 0.00 C ATOM 1417 CD2 PHE A 97 -4.591 -3.156 4.125 1.00 0.00 C ATOM 1418 CE1 PHE A 97 -4.992 -1.239 6.069 1.00 0.00 C ATOM 1419 CE2 PHE A 97 -3.583 -2.259 4.429 1.00 0.00 C ATOM 1420 CZ PHE A 97 -3.785 -1.299 5.402 1.00 0.00 C ATOM 0 H PHE A 97 -8.363 -2.153 5.105 1.00 0.00 H new ATOM 0 HA PHE A 97 -7.546 -3.284 2.568 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -7.361 -4.426 5.381 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -6.461 -4.956 3.975 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -6.939 -2.086 6.285 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -4.428 -3.904 3.363 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -5.152 -0.490 6.831 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -2.639 -2.309 3.906 1.00 0.00 H new ATOM 0 HZ PHE A 97 -3.000 -0.597 5.640 1.00 0.00 H new ATOM 1430 N PHE A 98 -9.264 -4.996 2.131 1.00 0.00 N ATOM 1431 CA PHE A 98 -10.304 -5.971 1.820 1.00 0.00 C ATOM 1432 C PHE A 98 -9.691 -7.296 1.376 1.00 0.00 C ATOM 1433 O PHE A 98 -9.090 -7.387 0.305 1.00 0.00 O ATOM 1434 CB PHE A 98 -11.228 -5.431 0.727 1.00 0.00 C ATOM 1435 CG PHE A 98 -12.155 -4.351 1.205 1.00 0.00 C ATOM 1436 CD1 PHE A 98 -13.349 -4.671 1.831 1.00 0.00 C ATOM 1437 CD2 PHE A 98 -11.833 -3.015 1.029 1.00 0.00 C ATOM 1438 CE1 PHE A 98 -14.205 -3.679 2.273 1.00 0.00 C ATOM 1439 CE2 PHE A 98 -12.684 -2.019 1.469 1.00 0.00 C ATOM 1440 CZ PHE A 98 -13.872 -2.351 2.090 1.00 0.00 C ATOM 0 H PHE A 98 -8.686 -4.728 1.335 1.00 0.00 H new ATOM 0 HA PHE A 98 -10.887 -6.146 2.724 1.00 0.00 H new ATOM 0 HB2 PHE A 98 -10.621 -5.042 -0.091 1.00 0.00 H new ATOM 0 HB3 PHE A 98 -11.819 -6.253 0.323 1.00 0.00 H new ATOM 0 HD1 PHE A 98 -13.614 -5.708 1.975 1.00 0.00 H new ATOM 0 HD2 PHE A 98 -10.906 -2.749 0.542 1.00 0.00 H new ATOM 0 HE1 PHE A 98 -15.132 -3.942 2.760 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -12.420 -0.981 1.327 1.00 0.00 H new ATOM 0 HZ PHE A 98 -14.539 -1.574 2.432 1.00 0.00 H new ATOM 1450 N LYS A 99 -9.848 -8.321 2.206 1.00 0.00 N ATOM 1451 CA LYS A 99 -9.313 -9.643 1.900 1.00 0.00 C ATOM 1452 C LYS A 99 -10.430 -10.609 1.521 1.00 0.00 C ATOM 1453 O LYS A 99 -11.244 -10.992 2.360 1.00 0.00 O ATOM 1454 CB LYS A 99 -8.536 -10.191 3.100 1.00 0.00 C ATOM 1455 CG LYS A 99 -7.399 -11.121 2.715 1.00 0.00 C ATOM 1456 CD LYS A 99 -6.122 -10.349 2.424 1.00 0.00 C ATOM 1457 CE LYS A 99 -4.886 -11.181 2.730 1.00 0.00 C ATOM 1458 NZ LYS A 99 -4.469 -11.052 4.154 1.00 0.00 N ATOM 0 H LYS A 99 -10.342 -8.262 3.097 1.00 0.00 H new ATOM 0 HA LYS A 99 -8.638 -9.546 1.050 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -8.133 -9.356 3.673 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -9.225 -10.725 3.755 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -7.220 -11.832 3.522 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -7.683 -11.701 1.837 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -6.109 -10.047 1.377 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -6.104 -9.436 3.019 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -5.088 -12.228 2.504 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -4.068 -10.867 2.082 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -3.435 -10.950 4.205 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -4.921 -10.214 4.573 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -4.760 -11.901 4.679 1.00 0.00 H new ATOM 1472 N ASN A 100 -10.463 -10.999 0.251 1.00 0.00 N ATOM 1473 CA ASN A 100 -11.481 -11.921 -0.240 1.00 0.00 C ATOM 1474 C ASN A 100 -12.873 -11.311 -0.115 1.00 0.00 C ATOM 1475 O ASN A 100 -13.831 -11.992 0.251 1.00 0.00 O ATOM 1476 CB ASN A 100 -11.419 -13.240 0.534 1.00 0.00 C ATOM 1477 CG ASN A 100 -10.450 -14.228 -0.086 1.00 0.00 C ATOM 1478 OD1 ASN A 100 -9.348 -14.437 0.423 1.00 0.00 O ATOM 1479 ND2 ASN A 100 -10.857 -14.842 -1.191 1.00 0.00 N ATOM 0 H ASN A 100 -9.796 -10.691 -0.457 1.00 0.00 H new ATOM 0 HA ASN A 100 -11.282 -12.115 -1.294 1.00 0.00 H new ATOM 0 HB2 ASN A 100 -11.122 -13.041 1.563 1.00 0.00 H new ATOM 0 HB3 ASN A 100 -12.414 -13.684 0.570 1.00 0.00 H new ATOM 0 HD21 ASN A 100 -10.248 -15.518 -1.653 1.00 0.00 H new ATOM 0 HD22 ASN A 100 -11.778 -14.638 -1.578 1.00 0.00 H new ATOM 1486 N SER A 101 -12.978 -10.022 -0.423 1.00 0.00 N ATOM 1487 CA SER A 101 -14.253 -9.318 -0.343 1.00 0.00 C ATOM 1488 C SER A 101 -14.765 -9.284 1.093 1.00 0.00 C ATOM 1489 O SER A 101 -15.968 -9.377 1.336 1.00 0.00 O ATOM 1490 CB SER A 101 -15.287 -9.988 -1.250 1.00 0.00 C ATOM 1491 OG SER A 101 -14.906 -9.898 -2.612 1.00 0.00 O ATOM 0 H SER A 101 -12.196 -9.444 -0.730 1.00 0.00 H new ATOM 0 HA SER A 101 -14.096 -8.293 -0.679 1.00 0.00 H new ATOM 0 HB2 SER A 101 -15.398 -11.035 -0.969 1.00 0.00 H new ATOM 0 HB3 SER A 101 -16.259 -9.516 -1.109 1.00 0.00 H new ATOM 0 HG SER A 101 -13.971 -9.612 -2.672 1.00 0.00 H new ATOM 1497 N GLN A 102 -13.843 -9.151 2.041 1.00 0.00 N ATOM 1498 CA GLN A 102 -14.201 -9.106 3.454 1.00 0.00 C ATOM 1499 C GLN A 102 -13.205 -8.261 4.241 1.00 0.00 C ATOM 1500 O GLN A 102 -12.032 -8.615 4.361 1.00 0.00 O ATOM 1501 CB GLN A 102 -14.257 -10.521 4.033 1.00 0.00 C ATOM 1502 CG GLN A 102 -15.548 -11.258 3.714 1.00 0.00 C ATOM 1503 CD GLN A 102 -15.578 -12.659 4.293 1.00 0.00 C ATOM 1504 OE1 GLN A 102 -15.112 -12.892 5.408 1.00 0.00 O ATOM 1505 NE2 GLN A 102 -16.129 -13.600 3.536 1.00 0.00 N ATOM 0 H GLN A 102 -12.843 -9.073 1.856 1.00 0.00 H new ATOM 0 HA GLN A 102 -15.186 -8.647 3.539 1.00 0.00 H new ATOM 0 HB2 GLN A 102 -13.415 -11.096 3.647 1.00 0.00 H new ATOM 0 HB3 GLN A 102 -14.137 -10.467 5.115 1.00 0.00 H new ATOM 0 HG2 GLN A 102 -16.392 -10.690 4.104 1.00 0.00 H new ATOM 0 HG3 GLN A 102 -15.673 -11.313 2.633 1.00 0.00 H new ATOM 0 HE21 GLN A 102 -16.503 -13.362 2.617 1.00 0.00 H new ATOM 0 HE22 GLN A 102 -16.178 -14.561 3.873 1.00 0.00 H new ATOM 1514 N LYS A 103 -13.679 -7.141 4.775 1.00 0.00 N ATOM 1515 CA LYS A 103 -12.832 -6.244 5.552 1.00 0.00 C ATOM 1516 C LYS A 103 -12.192 -6.980 6.725 1.00 0.00 C ATOM 1517 O LYS A 103 -12.886 -7.580 7.546 1.00 0.00 O ATOM 1518 CB LYS A 103 -13.648 -5.056 6.066 1.00 0.00 C ATOM 1519 CG LYS A 103 -12.794 -3.894 6.546 1.00 0.00 C ATOM 1520 CD LYS A 103 -13.650 -2.741 7.043 1.00 0.00 C ATOM 1521 CE LYS A 103 -14.415 -3.117 8.303 1.00 0.00 C ATOM 1522 NZ LYS A 103 -14.985 -1.921 8.983 1.00 0.00 N ATOM 0 H LYS A 103 -14.647 -6.832 4.684 1.00 0.00 H new ATOM 0 HA LYS A 103 -12.039 -5.877 4.900 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -14.307 -4.708 5.271 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -14.285 -5.390 6.885 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -12.136 -4.231 7.347 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -12.156 -3.550 5.732 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -13.017 -1.877 7.245 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -14.353 -2.446 6.264 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -15.219 -3.807 8.047 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -13.750 -3.642 8.989 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -15.499 -2.219 9.837 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -14.216 -1.274 9.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -15.639 -1.434 8.338 1.00 0.00 H new ATOM 1536 N ILE A 104 -10.866 -6.929 6.797 1.00 0.00 N ATOM 1537 CA ILE A 104 -10.134 -7.589 7.870 1.00 0.00 C ATOM 1538 C ILE A 104 -9.363 -6.578 8.713 1.00 0.00 C ATOM 1539 O ILE A 104 -9.148 -6.786 9.907 1.00 0.00 O ATOM 1540 CB ILE A 104 -9.150 -8.638 7.319 1.00 0.00 C ATOM 1541 CG1 ILE A 104 -8.098 -7.966 6.434 1.00 0.00 C ATOM 1542 CG2 ILE A 104 -9.898 -9.709 6.541 1.00 0.00 C ATOM 1543 CD1 ILE A 104 -6.998 -8.902 5.986 1.00 0.00 C ATOM 0 H ILE A 104 -10.277 -6.437 6.125 1.00 0.00 H new ATOM 0 HA ILE A 104 -10.874 -8.090 8.494 1.00 0.00 H new ATOM 0 HB ILE A 104 -8.642 -9.114 8.158 1.00 0.00 H new ATOM 0 HG12 ILE A 104 -8.588 -7.547 5.555 1.00 0.00 H new ATOM 0 HG13 ILE A 104 -7.655 -7.133 6.979 1.00 0.00 H new ATOM 0 HG21 ILE A 104 -9.189 -10.443 6.158 1.00 0.00 H new ATOM 0 HG22 ILE A 104 -10.613 -10.204 7.198 1.00 0.00 H new ATOM 0 HG23 ILE A 104 -10.430 -9.249 5.708 1.00 0.00 H new ATOM 0 HD11 ILE A 104 -6.289 -8.358 5.363 1.00 0.00 H new ATOM 0 HD12 ILE A 104 -6.482 -9.301 6.859 1.00 0.00 H new ATOM 0 HD13 ILE A 104 -7.430 -9.723 5.413 1.00 0.00 H new ATOM 1555 N ASP A 105 -8.952 -5.483 8.083 1.00 0.00 N ATOM 1556 CA ASP A 105 -8.207 -4.438 8.775 1.00 0.00 C ATOM 1557 C ASP A 105 -8.492 -3.071 8.160 1.00 0.00 C ATOM 1558 O ASP A 105 -8.876 -2.971 6.994 1.00 0.00 O ATOM 1559 CB ASP A 105 -6.707 -4.731 8.724 1.00 0.00 C ATOM 1560 CG ASP A 105 -5.970 -4.189 9.933 1.00 0.00 C ATOM 1561 OD1 ASP A 105 -6.639 -3.678 10.855 1.00 0.00 O ATOM 1562 OD2 ASP A 105 -4.724 -4.275 9.956 1.00 0.00 O ATOM 0 H ASP A 105 -9.122 -5.296 7.095 1.00 0.00 H new ATOM 0 HA ASP A 105 -8.531 -4.424 9.816 1.00 0.00 H new ATOM 0 HB2 ASP A 105 -6.552 -5.808 8.660 1.00 0.00 H new ATOM 0 HB3 ASP A 105 -6.285 -4.294 7.819 1.00 0.00 H new ATOM 1567 N ARG A 106 -8.302 -2.020 8.951 1.00 0.00 N ATOM 1568 CA ARG A 106 -8.540 -0.660 8.486 1.00 0.00 C ATOM 1569 C ARG A 106 -7.625 0.329 9.203 1.00 0.00 C ATOM 1570 O ARG A 106 -7.360 0.191 10.398 1.00 0.00 O ATOM 1571 CB ARG A 106 -10.003 -0.270 8.708 1.00 0.00 C ATOM 1572 CG ARG A 106 -10.272 1.215 8.529 1.00 0.00 C ATOM 1573 CD ARG A 106 -10.193 1.959 9.853 1.00 0.00 C ATOM 1574 NE ARG A 106 -10.247 3.407 9.671 1.00 0.00 N ATOM 1575 CZ ARG A 106 -11.366 4.073 9.406 1.00 0.00 C ATOM 1576 NH1 ARG A 106 -12.517 3.424 9.294 1.00 0.00 N ATOM 1577 NH2 ARG A 106 -11.335 5.391 9.254 1.00 0.00 N ATOM 0 H ARG A 106 -7.984 -2.085 9.918 1.00 0.00 H new ATOM 0 HA ARG A 106 -8.319 -0.625 7.419 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -10.629 -0.830 8.013 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -10.300 -0.566 9.714 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -9.548 1.635 7.830 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -11.259 1.357 8.089 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -11.015 1.644 10.496 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -9.268 1.692 10.364 1.00 0.00 H new ATOM 0 HE ARG A 106 -9.379 3.936 9.752 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -12.545 2.411 9.411 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -13.374 3.938 9.091 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -10.452 5.894 9.341 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -12.194 5.901 9.051 1.00 0.00 H new ATOM 1591 N LEU A 107 -7.144 1.324 8.466 1.00 0.00 N ATOM 1592 CA LEU A 107 -6.258 2.336 9.031 1.00 0.00 C ATOM 1593 C LEU A 107 -6.916 3.712 9.005 1.00 0.00 C ATOM 1594 O LEU A 107 -7.388 4.165 7.963 1.00 0.00 O ATOM 1595 CB LEU A 107 -4.938 2.374 8.258 1.00 0.00 C ATOM 1596 CG LEU A 107 -3.702 2.778 9.062 1.00 0.00 C ATOM 1597 CD1 LEU A 107 -2.433 2.456 8.288 1.00 0.00 C ATOM 1598 CD2 LEU A 107 -3.754 4.258 9.413 1.00 0.00 C ATOM 0 H LEU A 107 -7.353 1.452 7.476 1.00 0.00 H new ATOM 0 HA LEU A 107 -6.057 2.070 10.069 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -4.762 1.387 7.830 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -5.048 3.068 7.425 1.00 0.00 H new ATOM 0 HG LEU A 107 -3.692 2.205 9.989 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -1.564 2.750 8.876 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -2.390 1.385 8.088 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -2.434 3.001 7.344 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -2.866 4.528 9.985 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -3.789 4.848 8.497 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -4.644 4.460 10.008 1.00 0.00 H new ATOM 1610 N ASP A 108 -6.941 4.371 10.158 1.00 0.00 N ATOM 1611 CA ASP A 108 -7.538 5.697 10.267 1.00 0.00 C ATOM 1612 C ASP A 108 -6.463 6.763 10.460 1.00 0.00 C ATOM 1613 O ASP A 108 -5.543 6.594 11.259 1.00 0.00 O ATOM 1614 CB ASP A 108 -8.529 5.739 11.432 1.00 0.00 C ATOM 1615 CG ASP A 108 -9.423 6.963 11.387 1.00 0.00 C ATOM 1616 OD1 ASP A 108 -9.530 7.581 10.307 1.00 0.00 O ATOM 1617 OD2 ASP A 108 -10.015 7.303 12.432 1.00 0.00 O ATOM 0 H ASP A 108 -6.555 4.009 11.030 1.00 0.00 H new ATOM 0 HA ASP A 108 -8.070 5.906 9.339 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -9.146 4.841 11.413 1.00 0.00 H new ATOM 0 HB3 ASP A 108 -7.980 5.728 12.373 1.00 0.00 H new ATOM 1622 N GLY A 109 -6.586 7.860 9.719 1.00 0.00 N ATOM 1623 CA GLY A 109 -5.617 8.936 9.822 1.00 0.00 C ATOM 1624 C GLY A 109 -4.453 8.761 8.868 1.00 0.00 C ATOM 1625 O GLY A 109 -3.998 7.642 8.631 1.00 0.00 O ATOM 0 H GLY A 109 -7.338 8.023 9.050 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -6.111 9.886 9.618 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -5.241 8.986 10.844 1.00 0.00 H new ATOM 1629 N ALA A 110 -3.969 9.870 8.317 1.00 0.00 N ATOM 1630 CA ALA A 110 -2.850 9.834 7.384 1.00 0.00 C ATOM 1631 C ALA A 110 -1.570 9.382 8.079 1.00 0.00 C ATOM 1632 O ALA A 110 -0.984 10.125 8.867 1.00 0.00 O ATOM 1633 CB ALA A 110 -2.652 11.200 6.745 1.00 0.00 C ATOM 0 H ALA A 110 -4.335 10.804 8.501 1.00 0.00 H new ATOM 0 HA ALA A 110 -3.083 9.110 6.603 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -1.813 11.159 6.050 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -3.556 11.484 6.206 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -2.445 11.938 7.520 1.00 0.00 H new ATOM 1639 N HIS A 111 -1.141 8.160 7.782 1.00 0.00 N ATOM 1640 CA HIS A 111 0.071 7.609 8.378 1.00 0.00 C ATOM 1641 C HIS A 111 0.945 6.946 7.319 1.00 0.00 C ATOM 1642 O HIS A 111 0.522 6.002 6.652 1.00 0.00 O ATOM 1643 CB HIS A 111 -0.286 6.597 9.467 1.00 0.00 C ATOM 1644 CG HIS A 111 -0.923 7.215 10.674 1.00 0.00 C ATOM 1645 ND1 HIS A 111 -0.223 7.976 11.587 1.00 0.00 N ATOM 1646 CD2 HIS A 111 -2.202 7.183 11.115 1.00 0.00 C ATOM 1647 CE1 HIS A 111 -1.044 8.384 12.538 1.00 0.00 C ATOM 1648 NE2 HIS A 111 -2.252 7.917 12.275 1.00 0.00 N ATOM 0 H HIS A 111 -1.614 7.532 7.132 1.00 0.00 H new ATOM 0 HA HIS A 111 0.632 8.430 8.824 1.00 0.00 H new ATOM 0 HB2 HIS A 111 -0.963 5.851 9.051 1.00 0.00 H new ATOM 0 HB3 HIS A 111 0.618 6.071 9.773 1.00 0.00 H new ATOM 0 HD2 HIS A 111 -3.030 6.675 10.643 1.00 0.00 H new ATOM 0 HE1 HIS A 111 -0.774 8.995 13.386 1.00 0.00 H new ATOM 0 HE2 HIS A 111 -3.086 8.076 12.841 1.00 0.00 H new ATOM 1657 N ALA A 112 2.167 7.447 7.168 1.00 0.00 N ATOM 1658 CA ALA A 112 3.101 6.903 6.190 1.00 0.00 C ATOM 1659 C ALA A 112 3.551 5.499 6.583 1.00 0.00 C ATOM 1660 O ALA A 112 3.347 4.529 5.853 1.00 0.00 O ATOM 1661 CB ALA A 112 4.304 7.822 6.041 1.00 0.00 C ATOM 0 H ALA A 112 2.533 8.229 7.711 1.00 0.00 H new ATOM 0 HA ALA A 112 2.587 6.837 5.231 1.00 0.00 H new ATOM 0 HB1 ALA A 112 4.993 7.403 5.308 1.00 0.00 H new ATOM 0 HB2 ALA A 112 3.972 8.805 5.707 1.00 0.00 H new ATOM 0 HB3 ALA A 112 4.810 7.917 7.002 1.00 0.00 H new ATOM 1667 N PRO A 113 4.178 5.387 7.763 1.00 0.00 N ATOM 1668 CA PRO A 113 4.670 4.106 8.279 1.00 0.00 C ATOM 1669 C PRO A 113 3.536 3.169 8.682 1.00 0.00 C ATOM 1670 O PRO A 113 3.504 2.009 8.274 1.00 0.00 O ATOM 1671 CB PRO A 113 5.491 4.510 9.506 1.00 0.00 C ATOM 1672 CG PRO A 113 4.908 5.810 9.941 1.00 0.00 C ATOM 1673 CD PRO A 113 4.455 6.501 8.685 1.00 0.00 C ATOM 0 HA PRO A 113 5.240 3.557 7.530 1.00 0.00 H new ATOM 0 HB2 PRO A 113 5.420 3.761 10.294 1.00 0.00 H new ATOM 0 HB3 PRO A 113 6.548 4.613 9.259 1.00 0.00 H new ATOM 0 HG2 PRO A 113 4.073 5.654 10.624 1.00 0.00 H new ATOM 0 HG3 PRO A 113 5.646 6.411 10.472 1.00 0.00 H new ATOM 0 HD2 PRO A 113 3.567 7.109 8.859 1.00 0.00 H new ATOM 0 HD3 PRO A 113 5.224 7.166 8.292 1.00 0.00 H new ATOM 1681 N GLU A 114 2.607 3.682 9.483 1.00 0.00 N ATOM 1682 CA GLU A 114 1.472 2.889 9.940 1.00 0.00 C ATOM 1683 C GLU A 114 0.838 2.127 8.779 1.00 0.00 C ATOM 1684 O GLU A 114 0.379 0.996 8.941 1.00 0.00 O ATOM 1685 CB GLU A 114 0.428 3.789 10.604 1.00 0.00 C ATOM 1686 CG GLU A 114 -0.435 3.068 11.627 1.00 0.00 C ATOM 1687 CD GLU A 114 -1.002 4.005 12.676 1.00 0.00 C ATOM 1688 OE1 GLU A 114 -0.207 4.681 13.361 1.00 0.00 O ATOM 1689 OE2 GLU A 114 -2.242 4.061 12.811 1.00 0.00 O ATOM 0 H GLU A 114 2.618 4.642 9.828 1.00 0.00 H new ATOM 0 HA GLU A 114 1.836 2.167 10.670 1.00 0.00 H new ATOM 0 HB2 GLU A 114 0.935 4.622 11.091 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -0.215 4.215 9.834 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -1.254 2.564 11.115 1.00 0.00 H new ATOM 0 HG3 GLU A 114 0.158 2.296 12.117 1.00 0.00 H new ATOM 1696 N LEU A 115 0.815 2.756 7.609 1.00 0.00 N ATOM 1697 CA LEU A 115 0.237 2.139 6.420 1.00 0.00 C ATOM 1698 C LEU A 115 1.077 0.952 5.960 1.00 0.00 C ATOM 1699 O LEU A 115 0.586 -0.174 5.871 1.00 0.00 O ATOM 1700 CB LEU A 115 0.123 3.166 5.293 1.00 0.00 C ATOM 1701 CG LEU A 115 -0.458 2.653 3.974 1.00 0.00 C ATOM 1702 CD1 LEU A 115 -1.938 2.337 4.131 1.00 0.00 C ATOM 1703 CD2 LEU A 115 -0.244 3.673 2.865 1.00 0.00 C ATOM 0 H LEU A 115 1.190 3.693 7.458 1.00 0.00 H new ATOM 0 HA LEU A 115 -0.759 1.778 6.675 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -0.496 3.992 5.643 1.00 0.00 H new ATOM 0 HB3 LEU A 115 1.115 3.572 5.096 1.00 0.00 H new ATOM 0 HG LEU A 115 0.063 1.735 3.702 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -2.335 1.973 3.183 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -2.067 1.572 4.896 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -2.473 3.239 4.426 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -0.663 3.292 1.934 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -0.739 4.608 3.130 1.00 0.00 H new ATOM 0 HD23 LEU A 115 0.824 3.851 2.736 1.00 0.00 H new ATOM 1715 N THR A 116 2.349 1.211 5.669 1.00 0.00 N ATOM 1716 CA THR A 116 3.258 0.165 5.219 1.00 0.00 C ATOM 1717 C THR A 116 3.173 -1.063 6.119 1.00 0.00 C ATOM 1718 O THR A 116 3.095 -2.194 5.638 1.00 0.00 O ATOM 1719 CB THR A 116 4.715 0.663 5.185 1.00 0.00 C ATOM 1720 OG1 THR A 116 4.832 1.777 4.294 1.00 0.00 O ATOM 1721 CG2 THR A 116 5.657 -0.447 4.743 1.00 0.00 C ATOM 0 H THR A 116 2.772 2.137 5.737 1.00 0.00 H new ATOM 0 HA THR A 116 2.951 -0.107 4.209 1.00 0.00 H new ATOM 0 HB THR A 116 4.992 0.973 6.192 1.00 0.00 H new ATOM 0 HG1 THR A 116 5.761 2.088 4.280 1.00 0.00 H new ATOM 0 HG21 THR A 116 6.680 -0.071 4.727 1.00 0.00 H new ATOM 0 HG22 THR A 116 5.588 -1.282 5.440 1.00 0.00 H new ATOM 0 HG23 THR A 116 5.379 -0.784 3.745 1.00 0.00 H new ATOM 1729 N LYS A 117 3.188 -0.833 7.427 1.00 0.00 N ATOM 1730 CA LYS A 117 3.111 -1.920 8.396 1.00 0.00 C ATOM 1731 C LYS A 117 1.906 -2.813 8.117 1.00 0.00 C ATOM 1732 O LYS A 117 2.051 -4.014 7.888 1.00 0.00 O ATOM 1733 CB LYS A 117 3.025 -1.359 9.817 1.00 0.00 C ATOM 1734 CG LYS A 117 4.340 -0.800 10.331 1.00 0.00 C ATOM 1735 CD LYS A 117 4.305 -0.586 11.835 1.00 0.00 C ATOM 1736 CE LYS A 117 3.749 0.785 12.191 1.00 0.00 C ATOM 1737 NZ LYS A 117 3.871 1.073 13.647 1.00 0.00 N ATOM 0 H LYS A 117 3.253 0.097 7.841 1.00 0.00 H new ATOM 0 HA LYS A 117 4.016 -2.521 8.303 1.00 0.00 H new ATOM 0 HB2 LYS A 117 2.271 -0.573 9.843 1.00 0.00 H new ATOM 0 HB3 LYS A 117 2.687 -2.147 10.490 1.00 0.00 H new ATOM 0 HG2 LYS A 117 5.150 -1.484 10.079 1.00 0.00 H new ATOM 0 HG3 LYS A 117 4.554 0.146 9.833 1.00 0.00 H new ATOM 0 HD2 LYS A 117 3.693 -1.359 12.299 1.00 0.00 H new ATOM 0 HD3 LYS A 117 5.311 -0.688 12.242 1.00 0.00 H new ATOM 0 HE2 LYS A 117 4.279 1.550 11.624 1.00 0.00 H new ATOM 0 HE3 LYS A 117 2.701 0.839 11.897 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 3.481 2.016 13.848 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 3.344 0.358 14.188 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 4.873 1.047 13.923 1.00 0.00 H new ATOM 1751 N LYS A 118 0.718 -2.219 8.137 1.00 0.00 N ATOM 1752 CA LYS A 118 -0.512 -2.959 7.883 1.00 0.00 C ATOM 1753 C LYS A 118 -0.463 -3.647 6.523 1.00 0.00 C ATOM 1754 O LYS A 118 -0.946 -4.768 6.365 1.00 0.00 O ATOM 1755 CB LYS A 118 -1.719 -2.020 7.948 1.00 0.00 C ATOM 1756 CG LYS A 118 -2.273 -1.838 9.351 1.00 0.00 C ATOM 1757 CD LYS A 118 -3.482 -0.917 9.357 1.00 0.00 C ATOM 1758 CE LYS A 118 -3.931 -0.598 10.775 1.00 0.00 C ATOM 1759 NZ LYS A 118 -4.557 -1.776 11.437 1.00 0.00 N ATOM 0 H LYS A 118 0.581 -1.226 8.327 1.00 0.00 H new ATOM 0 HA LYS A 118 -0.612 -3.724 8.653 1.00 0.00 H new ATOM 0 HB2 LYS A 118 -1.433 -1.046 7.550 1.00 0.00 H new ATOM 0 HB3 LYS A 118 -2.507 -2.409 7.303 1.00 0.00 H new ATOM 0 HG2 LYS A 118 -2.551 -2.808 9.762 1.00 0.00 H new ATOM 0 HG3 LYS A 118 -1.498 -1.428 9.999 1.00 0.00 H new ATOM 0 HD2 LYS A 118 -3.239 0.008 8.834 1.00 0.00 H new ATOM 0 HD3 LYS A 118 -4.301 -1.386 8.811 1.00 0.00 H new ATOM 0 HE2 LYS A 118 -3.074 -0.265 11.361 1.00 0.00 H new ATOM 0 HE3 LYS A 118 -4.643 0.227 10.754 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 -4.238 -1.829 12.425 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 -5.592 -1.679 11.412 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 -4.279 -2.644 10.936 1.00 0.00 H new ATOM 1773 N VAL A 119 0.126 -2.969 5.543 1.00 0.00 N ATOM 1774 CA VAL A 119 0.241 -3.516 4.196 1.00 0.00 C ATOM 1775 C VAL A 119 1.093 -4.781 4.188 1.00 0.00 C ATOM 1776 O VAL A 119 0.688 -5.809 3.646 1.00 0.00 O ATOM 1777 CB VAL A 119 0.855 -2.491 3.224 1.00 0.00 C ATOM 1778 CG1 VAL A 119 0.951 -3.075 1.823 1.00 0.00 C ATOM 1779 CG2 VAL A 119 0.040 -1.207 3.221 1.00 0.00 C ATOM 0 H VAL A 119 0.531 -2.040 5.657 1.00 0.00 H new ATOM 0 HA VAL A 119 -0.769 -3.759 3.866 1.00 0.00 H new ATOM 0 HB VAL A 119 1.864 -2.254 3.562 1.00 0.00 H new ATOM 0 HG11 VAL A 119 1.387 -2.337 1.150 1.00 0.00 H new ATOM 0 HG12 VAL A 119 1.580 -3.965 1.842 1.00 0.00 H new ATOM 0 HG13 VAL A 119 -0.045 -3.343 1.471 1.00 0.00 H new ATOM 0 HG21 VAL A 119 0.488 -0.494 2.529 1.00 0.00 H new ATOM 0 HG22 VAL A 119 -0.981 -1.425 2.908 1.00 0.00 H new ATOM 0 HG23 VAL A 119 0.029 -0.781 4.224 1.00 0.00 H new ATOM 1789 N GLN A 120 2.273 -4.697 4.792 1.00 0.00 N ATOM 1790 CA GLN A 120 3.182 -5.835 4.854 1.00 0.00 C ATOM 1791 C GLN A 120 2.578 -6.970 5.675 1.00 0.00 C ATOM 1792 O GLN A 120 2.563 -8.122 5.242 1.00 0.00 O ATOM 1793 CB GLN A 120 4.523 -5.412 5.456 1.00 0.00 C ATOM 1794 CG GLN A 120 5.288 -4.418 4.598 1.00 0.00 C ATOM 1795 CD GLN A 120 6.548 -3.912 5.273 1.00 0.00 C ATOM 1796 OE1 GLN A 120 6.585 -3.735 6.491 1.00 0.00 O ATOM 1797 NE2 GLN A 120 7.589 -3.676 4.484 1.00 0.00 N ATOM 0 H GLN A 120 2.622 -3.853 5.246 1.00 0.00 H new ATOM 0 HA GLN A 120 3.345 -6.193 3.837 1.00 0.00 H new ATOM 0 HB2 GLN A 120 4.349 -4.973 6.438 1.00 0.00 H new ATOM 0 HB3 GLN A 120 5.139 -6.298 5.608 1.00 0.00 H new ATOM 0 HG2 GLN A 120 5.552 -4.889 3.651 1.00 0.00 H new ATOM 0 HG3 GLN A 120 4.641 -3.572 4.364 1.00 0.00 H new ATOM 0 HE21 GLN A 120 7.514 -3.837 3.479 1.00 0.00 H new ATOM 0 HE22 GLN A 120 8.464 -3.334 4.882 1.00 0.00 H new ATOM 1806 N ARG A 121 2.082 -6.636 6.862 1.00 0.00 N ATOM 1807 CA ARG A 121 1.478 -7.627 7.744 1.00 0.00 C ATOM 1808 C ARG A 121 0.487 -8.502 6.982 1.00 0.00 C ATOM 1809 O ARG A 121 0.618 -9.726 6.952 1.00 0.00 O ATOM 1810 CB ARG A 121 0.773 -6.938 8.914 1.00 0.00 C ATOM 1811 CG ARG A 121 0.047 -7.900 9.839 1.00 0.00 C ATOM 1812 CD ARG A 121 -1.164 -7.245 10.485 1.00 0.00 C ATOM 1813 NE ARG A 121 -1.475 -7.831 11.786 1.00 0.00 N ATOM 1814 CZ ARG A 121 -0.803 -7.553 12.898 1.00 0.00 C ATOM 1815 NH1 ARG A 121 0.212 -6.700 12.866 1.00 0.00 N ATOM 1816 NH2 ARG A 121 -1.146 -8.126 14.044 1.00 0.00 N ATOM 0 H ARG A 121 2.087 -5.687 7.235 1.00 0.00 H new ATOM 0 HA ARG A 121 2.273 -8.263 8.132 1.00 0.00 H new ATOM 0 HB2 ARG A 121 1.508 -6.378 9.491 1.00 0.00 H new ATOM 0 HB3 ARG A 121 0.058 -6.215 8.521 1.00 0.00 H new ATOM 0 HG2 ARG A 121 -0.270 -8.778 9.276 1.00 0.00 H new ATOM 0 HG3 ARG A 121 0.731 -8.247 10.614 1.00 0.00 H new ATOM 0 HD2 ARG A 121 -0.978 -6.177 10.603 1.00 0.00 H new ATOM 0 HD3 ARG A 121 -2.026 -7.348 9.826 1.00 0.00 H new ATOM 0 HE ARG A 121 -2.251 -8.490 11.844 1.00 0.00 H new ATOM 0 HH11 ARG A 121 0.478 -6.256 11.987 1.00 0.00 H new ATOM 0 HH12 ARG A 121 0.727 -6.488 13.721 1.00 0.00 H new ATOM 0 HH21 ARG A 121 -1.927 -8.781 14.073 1.00 0.00 H new ATOM 0 HH22 ARG A 121 -0.629 -7.911 14.896 1.00 0.00 H new ATOM 1830 N HIS A 122 -0.505 -7.865 6.368 1.00 0.00 N ATOM 1831 CA HIS A 122 -1.519 -8.585 5.606 1.00 0.00 C ATOM 1832 C HIS A 122 -0.923 -9.178 4.333 1.00 0.00 C ATOM 1833 O HIS A 122 -1.133 -10.350 4.025 1.00 0.00 O ATOM 1834 CB HIS A 122 -2.679 -7.653 5.253 1.00 0.00 C ATOM 1835 CG HIS A 122 -3.206 -6.883 6.425 1.00 0.00 C ATOM 1836 ND1 HIS A 122 -3.641 -7.484 7.587 1.00 0.00 N ATOM 1837 CD2 HIS A 122 -3.365 -5.551 6.610 1.00 0.00 C ATOM 1838 CE1 HIS A 122 -4.046 -6.556 8.436 1.00 0.00 C ATOM 1839 NE2 HIS A 122 -3.888 -5.374 7.867 1.00 0.00 N ATOM 0 H HIS A 122 -0.628 -6.853 6.383 1.00 0.00 H new ATOM 0 HA HIS A 122 -1.893 -9.400 6.225 1.00 0.00 H new ATOM 0 HB2 HIS A 122 -2.350 -6.952 4.486 1.00 0.00 H new ATOM 0 HB3 HIS A 122 -3.489 -8.241 4.821 1.00 0.00 H new ATOM 0 HD2 HIS A 122 -3.125 -4.773 5.901 1.00 0.00 H new ATOM 0 HE1 HIS A 122 -4.439 -6.733 9.426 1.00 0.00 H new ATOM 0 HE2 HIS A 122 -4.117 -4.476 8.293 1.00 0.00 H new ATOM 1848 N ALA A 123 -0.179 -8.359 3.597 1.00 0.00 N ATOM 1849 CA ALA A 123 0.449 -8.803 2.358 1.00 0.00 C ATOM 1850 C ALA A 123 0.988 -10.223 2.495 1.00 0.00 C ATOM 1851 O ALA A 123 0.796 -11.057 1.610 1.00 0.00 O ATOM 1852 CB ALA A 123 1.565 -7.848 1.961 1.00 0.00 C ATOM 0 H ALA A 123 0.004 -7.385 3.837 1.00 0.00 H new ATOM 0 HA ALA A 123 -0.309 -8.804 1.575 1.00 0.00 H new ATOM 0 HB1 ALA A 123 2.025 -8.191 1.034 1.00 0.00 H new ATOM 0 HB2 ALA A 123 1.154 -6.849 1.814 1.00 0.00 H new ATOM 0 HB3 ALA A 123 2.316 -7.818 2.750 1.00 0.00 H new