USER MOD reduce.3.24.130724 H: found=0, std=0, add=831, rem=0, adj=21 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 36 LYS NZ :NH3+ 163:sc= 0.325 (180deg=-0.241) USER MOD Set 1.2: A 71 SER OG : rot -156:sc= 0.757 USER MOD Set 2.1: A 25 SER OG : rot 180:sc= -0.514 USER MOD Set 2.2: A 28 GLN : amide:sc= -2.02 K(o=-2.5,f=-4.2!) 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 44 HIS : no HE2:sc= -3.29! C(o=-3.3!,f=-4.7!) USER MOD Single : A 52 GLN : amide:sc= -2.65! C(o=-2.6!,f=-7!) USER MOD Single : A 53 CYS SG : rot -66:sc= 0.0635 USER MOD Single : A 55 GLN : amide:sc= -0.453 X(o=-0.45,f=-0.12) USER MOD Single : A 56 MET CE :methyl -115:sc= -0.868 (180deg=-4.32!) USER MOD Single : A 57 ASN : amide:sc= -0.188 K(o=-0.19,f=-1.7!) USER MOD Single : A 60 MET CE :methyl 174:sc= -0.694 (180deg=-0.856) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 GLN :FLIP amide:sc= -1.25 F(o=-3,f=-1.3) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 SER OG : rot 180:sc= -0.0774 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 29:sc= 0.545 USER MOD Single : A 94 THR OG1 : rot 143:sc= 0.878 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 ASN : amide:sc= -1.35 K(o=-1.3,f=-3.8!) USER MOD Single : A 101 SER OG : rot 37:sc= 0.0193 USER MOD Single : A 102 GLN : amide:sc=-0.00959 K(o=-0.0096,f=-0.67) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 HIS :FLIP no HD1:sc= -0.0263 F(o=-0.56,f=-0.026) USER MOD Single : A 116 THR OG1 : rot 180:sc= -0.643 USER MOD Single : A 117 LYS NZ :NH3+ 160:sc= -0.0177 (180deg=-0.201) USER MOD Single : A 118 LYS NZ :NH3+ -164:sc= 0.195 (180deg=-0.934) USER MOD Single : A 120 GLN :FLIP amide:sc= 0 F(o=-2.3!,f=0) USER MOD Single : A 122 HIS : no HE2:sc= -3.24 K(o=-3.2,f=-4.4!) USER MOD ----------------------------------------------------------------- ATOM 201 N VAL A 20 -1.652 2.495 -9.113 1.00 0.00 N ATOM 202 CA VAL A 20 -2.915 2.666 -8.406 1.00 0.00 C ATOM 203 C VAL A 20 -4.067 2.877 -9.382 1.00 0.00 C ATOM 204 O VAL A 20 -4.027 3.777 -10.220 1.00 0.00 O ATOM 205 CB VAL A 20 -2.857 3.859 -7.433 1.00 0.00 C ATOM 206 CG1 VAL A 20 -4.195 4.045 -6.735 1.00 0.00 C ATOM 207 CG2 VAL A 20 -1.740 3.665 -6.419 1.00 0.00 C ATOM 0 HA VAL A 20 -3.086 1.751 -7.838 1.00 0.00 H new ATOM 0 HB VAL A 20 -2.645 4.762 -8.005 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -4.134 4.892 -6.052 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -4.970 4.233 -7.478 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -4.441 3.143 -6.174 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -1.713 4.517 -5.740 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -1.919 2.753 -5.850 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -0.786 3.586 -6.940 1.00 0.00 H new ATOM 217 N GLU A 21 -5.094 2.039 -9.267 1.00 0.00 N ATOM 218 CA GLU A 21 -6.257 2.134 -10.141 1.00 0.00 C ATOM 219 C GLU A 21 -7.284 3.111 -9.576 1.00 0.00 C ATOM 220 O GLU A 21 -7.686 3.004 -8.418 1.00 0.00 O ATOM 221 CB GLU A 21 -6.897 0.757 -10.327 1.00 0.00 C ATOM 222 CG GLU A 21 -6.262 -0.064 -11.437 1.00 0.00 C ATOM 223 CD GLU A 21 -6.882 -1.442 -11.571 1.00 0.00 C ATOM 224 OE1 GLU A 21 -6.884 -2.190 -10.571 1.00 0.00 O ATOM 225 OE2 GLU A 21 -7.364 -1.772 -12.674 1.00 0.00 O ATOM 0 H GLU A 21 -5.143 1.288 -8.578 1.00 0.00 H new ATOM 0 HA GLU A 21 -5.922 2.505 -11.109 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -6.826 0.203 -9.391 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -7.958 0.885 -10.542 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -6.364 0.470 -12.382 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -5.195 -0.167 -11.242 1.00 0.00 H new ATOM 232 N GLU A 22 -7.702 4.065 -10.402 1.00 0.00 N ATOM 233 CA GLU A 22 -8.681 5.062 -9.984 1.00 0.00 C ATOM 234 C GLU A 22 -10.094 4.488 -10.025 1.00 0.00 C ATOM 235 O GLU A 22 -10.607 4.147 -11.091 1.00 0.00 O ATOM 236 CB GLU A 22 -8.595 6.300 -10.880 1.00 0.00 C ATOM 237 CG GLU A 22 -8.801 5.999 -12.355 1.00 0.00 C ATOM 238 CD GLU A 22 -8.536 7.203 -13.238 1.00 0.00 C ATOM 239 OE1 GLU A 22 -8.935 8.322 -12.850 1.00 0.00 O ATOM 240 OE2 GLU A 22 -7.931 7.027 -14.316 1.00 0.00 O ATOM 0 H GLU A 22 -7.378 4.169 -11.364 1.00 0.00 H new ATOM 0 HA GLU A 22 -8.454 5.349 -8.957 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -9.343 7.024 -10.558 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -7.620 6.768 -10.746 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -8.141 5.183 -12.651 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -9.823 5.655 -12.513 1.00 0.00 H new ATOM 247 N VAL A 23 -10.718 4.385 -8.856 1.00 0.00 N ATOM 248 CA VAL A 23 -12.072 3.853 -8.757 1.00 0.00 C ATOM 249 C VAL A 23 -13.092 4.974 -8.593 1.00 0.00 C ATOM 250 O VAL A 23 -13.409 5.380 -7.476 1.00 0.00 O ATOM 251 CB VAL A 23 -12.206 2.875 -7.574 1.00 0.00 C ATOM 252 CG1 VAL A 23 -13.640 2.383 -7.447 1.00 0.00 C ATOM 253 CG2 VAL A 23 -11.246 1.707 -7.739 1.00 0.00 C ATOM 0 H VAL A 23 -10.308 4.663 -7.964 1.00 0.00 H new ATOM 0 HA VAL A 23 -12.270 3.318 -9.686 1.00 0.00 H new ATOM 0 HB VAL A 23 -11.946 3.403 -6.657 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -13.715 1.693 -6.606 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -14.303 3.232 -7.280 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -13.931 1.870 -8.364 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -11.353 1.026 -6.895 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -11.473 1.177 -8.664 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -10.222 2.080 -7.776 1.00 0.00 H new ATOM 263 N GLY A 24 -13.604 5.470 -9.715 1.00 0.00 N ATOM 264 CA GLY A 24 -14.583 6.540 -9.674 1.00 0.00 C ATOM 265 C GLY A 24 -15.998 6.039 -9.887 1.00 0.00 C ATOM 266 O GLY A 24 -16.808 6.702 -10.536 1.00 0.00 O ATOM 0 H GLY A 24 -13.358 5.150 -10.652 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -14.522 7.048 -8.712 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -14.343 7.278 -10.440 1.00 0.00 H new ATOM 270 N SER A 25 -16.297 4.865 -9.340 1.00 0.00 N ATOM 271 CA SER A 25 -17.622 4.273 -9.478 1.00 0.00 C ATOM 272 C SER A 25 -17.745 3.012 -8.628 1.00 0.00 C ATOM 273 O SER A 25 -16.813 2.212 -8.547 1.00 0.00 O ATOM 274 CB SER A 25 -17.907 3.943 -10.944 1.00 0.00 C ATOM 275 OG SER A 25 -16.879 3.136 -11.494 1.00 0.00 O ATOM 0 H SER A 25 -15.639 4.305 -8.797 1.00 0.00 H new ATOM 0 HA SER A 25 -18.355 5.000 -9.128 1.00 0.00 H new ATOM 0 HB2 SER A 25 -18.863 3.425 -11.024 1.00 0.00 H new ATOM 0 HB3 SER A 25 -17.995 4.866 -11.517 1.00 0.00 H new ATOM 0 HG SER A 25 -17.085 2.937 -12.431 1.00 0.00 H new ATOM 281 N ALA A 26 -18.901 2.842 -7.996 1.00 0.00 N ATOM 282 CA ALA A 26 -19.148 1.678 -7.153 1.00 0.00 C ATOM 283 C ALA A 26 -18.826 0.386 -7.895 1.00 0.00 C ATOM 284 O ALA A 26 -18.024 -0.425 -7.432 1.00 0.00 O ATOM 285 CB ALA A 26 -20.592 1.670 -6.675 1.00 0.00 C ATOM 0 H ALA A 26 -19.682 3.496 -8.051 1.00 0.00 H new ATOM 0 HA ALA A 26 -18.491 1.741 -6.286 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -20.762 0.796 -6.047 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -20.790 2.574 -6.100 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -21.260 1.634 -7.536 1.00 0.00 H new ATOM 291 N GLY A 27 -19.459 0.198 -9.050 1.00 0.00 N ATOM 292 CA GLY A 27 -19.227 -0.999 -9.837 1.00 0.00 C ATOM 293 C GLY A 27 -17.757 -1.354 -9.932 1.00 0.00 C ATOM 294 O GLY A 27 -17.380 -2.513 -9.760 1.00 0.00 O ATOM 0 H GLY A 27 -20.128 0.853 -9.454 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -19.771 -1.833 -9.393 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -19.628 -0.854 -10.840 1.00 0.00 H new ATOM 298 N GLN A 28 -16.925 -0.356 -10.209 1.00 0.00 N ATOM 299 CA GLN A 28 -15.487 -0.570 -10.330 1.00 0.00 C ATOM 300 C GLN A 28 -14.945 -1.317 -9.116 1.00 0.00 C ATOM 301 O GLN A 28 -14.305 -2.361 -9.251 1.00 0.00 O ATOM 302 CB GLN A 28 -14.762 0.767 -10.486 1.00 0.00 C ATOM 303 CG GLN A 28 -13.354 0.634 -11.045 1.00 0.00 C ATOM 304 CD GLN A 28 -12.848 1.922 -11.665 1.00 0.00 C ATOM 305 OE1 GLN A 28 -13.584 2.904 -11.772 1.00 0.00 O ATOM 306 NE2 GLN A 28 -11.586 1.924 -12.078 1.00 0.00 N ATOM 0 H GLN A 28 -17.221 0.609 -10.354 1.00 0.00 H new ATOM 0 HA GLN A 28 -15.309 -1.177 -11.218 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -15.345 1.413 -11.143 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -14.713 1.260 -9.515 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -12.677 0.329 -10.247 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -13.338 -0.157 -11.795 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -11.013 1.088 -11.969 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -11.190 2.762 -12.504 1.00 0.00 H new ATOM 315 N PHE A 29 -15.204 -0.777 -7.930 1.00 0.00 N ATOM 316 CA PHE A 29 -14.740 -1.391 -6.692 1.00 0.00 C ATOM 317 C PHE A 29 -15.425 -2.736 -6.463 1.00 0.00 C ATOM 318 O PHE A 29 -14.769 -3.776 -6.408 1.00 0.00 O ATOM 319 CB PHE A 29 -15.007 -0.463 -5.505 1.00 0.00 C ATOM 320 CG PHE A 29 -14.724 -1.096 -4.173 1.00 0.00 C ATOM 321 CD1 PHE A 29 -13.452 -1.547 -3.861 1.00 0.00 C ATOM 322 CD2 PHE A 29 -15.732 -1.240 -3.233 1.00 0.00 C ATOM 323 CE1 PHE A 29 -13.189 -2.130 -2.636 1.00 0.00 C ATOM 324 CE2 PHE A 29 -15.475 -1.822 -2.006 1.00 0.00 C ATOM 325 CZ PHE A 29 -14.202 -2.269 -1.707 1.00 0.00 C ATOM 0 H PHE A 29 -15.733 0.085 -7.800 1.00 0.00 H new ATOM 0 HA PHE A 29 -13.666 -1.558 -6.779 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -14.395 0.433 -5.610 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -16.048 -0.142 -5.532 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -12.656 -1.442 -4.584 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -16.729 -0.894 -3.462 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -12.193 -2.477 -2.405 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -16.269 -1.927 -1.281 1.00 0.00 H new ATOM 0 HZ PHE A 29 -14.000 -2.726 -0.750 1.00 0.00 H new ATOM 335 N GLU A 30 -16.747 -2.705 -6.329 1.00 0.00 N ATOM 336 CA GLU A 30 -17.520 -3.921 -6.105 1.00 0.00 C ATOM 337 C GLU A 30 -17.053 -5.041 -7.031 1.00 0.00 C ATOM 338 O GLU A 30 -16.946 -6.196 -6.619 1.00 0.00 O ATOM 339 CB GLU A 30 -19.010 -3.652 -6.322 1.00 0.00 C ATOM 340 CG GLU A 30 -19.629 -2.759 -5.260 1.00 0.00 C ATOM 341 CD GLU A 30 -20.046 -3.528 -4.022 1.00 0.00 C ATOM 342 OE1 GLU A 30 -19.496 -4.625 -3.792 1.00 0.00 O ATOM 343 OE2 GLU A 30 -20.923 -3.033 -3.283 1.00 0.00 O ATOM 0 H GLU A 30 -17.305 -1.852 -6.372 1.00 0.00 H new ATOM 0 HA GLU A 30 -17.362 -4.237 -5.074 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -19.148 -3.189 -7.299 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -19.543 -4.603 -6.341 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -18.914 -1.986 -4.979 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -20.499 -2.252 -5.678 1.00 0.00 H new ATOM 350 N GLU A 31 -16.779 -4.690 -8.283 1.00 0.00 N ATOM 351 CA GLU A 31 -16.326 -5.665 -9.268 1.00 0.00 C ATOM 352 C GLU A 31 -14.957 -6.224 -8.890 1.00 0.00 C ATOM 353 O GLU A 31 -14.778 -7.438 -8.779 1.00 0.00 O ATOM 354 CB GLU A 31 -16.263 -5.029 -10.658 1.00 0.00 C ATOM 355 CG GLU A 31 -16.160 -6.041 -11.787 1.00 0.00 C ATOM 356 CD GLU A 31 -17.301 -7.040 -11.781 1.00 0.00 C ATOM 357 OE1 GLU A 31 -18.451 -6.628 -12.040 1.00 0.00 O ATOM 358 OE2 GLU A 31 -17.043 -8.233 -11.518 1.00 0.00 O ATOM 0 H GLU A 31 -16.863 -3.738 -8.639 1.00 0.00 H new ATOM 0 HA GLU A 31 -17.043 -6.486 -9.285 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -17.153 -4.418 -10.809 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -15.405 -4.359 -10.703 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -16.148 -5.515 -12.742 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -15.214 -6.576 -11.706 1.00 0.00 H new ATOM 365 N LEU A 32 -13.994 -5.331 -8.694 1.00 0.00 N ATOM 366 CA LEU A 32 -12.640 -5.733 -8.329 1.00 0.00 C ATOM 367 C LEU A 32 -12.654 -6.645 -7.106 1.00 0.00 C ATOM 368 O LEU A 32 -12.050 -7.718 -7.111 1.00 0.00 O ATOM 369 CB LEU A 32 -11.778 -4.501 -8.050 1.00 0.00 C ATOM 370 CG LEU A 32 -10.270 -4.684 -8.221 1.00 0.00 C ATOM 371 CD1 LEU A 32 -9.874 -4.518 -9.680 1.00 0.00 C ATOM 372 CD2 LEU A 32 -9.510 -3.698 -7.344 1.00 0.00 C ATOM 0 H LEU A 32 -14.125 -4.323 -8.782 1.00 0.00 H new ATOM 0 HA LEU A 32 -12.213 -6.285 -9.167 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -12.103 -3.698 -8.711 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -11.970 -4.172 -7.029 1.00 0.00 H new ATOM 0 HG LEU A 32 -10.008 -5.695 -7.908 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -8.797 -4.652 -9.782 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -10.391 -5.263 -10.284 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -10.150 -3.520 -10.021 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -8.438 -3.843 -7.479 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -9.777 -2.680 -7.626 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -9.770 -3.865 -6.299 1.00 0.00 H new ATOM 384 N LEU A 33 -13.349 -6.212 -6.060 1.00 0.00 N ATOM 385 CA LEU A 33 -13.445 -6.991 -4.830 1.00 0.00 C ATOM 386 C LEU A 33 -13.462 -8.486 -5.131 1.00 0.00 C ATOM 387 O LEU A 33 -12.921 -9.289 -4.371 1.00 0.00 O ATOM 388 CB LEU A 33 -14.703 -6.601 -4.052 1.00 0.00 C ATOM 389 CG LEU A 33 -14.545 -5.459 -3.048 1.00 0.00 C ATOM 390 CD1 LEU A 33 -15.894 -5.076 -2.458 1.00 0.00 C ATOM 391 CD2 LEU A 33 -13.571 -5.850 -1.946 1.00 0.00 C ATOM 0 H LEU A 33 -13.854 -5.326 -6.039 1.00 0.00 H new ATOM 0 HA LEU A 33 -12.567 -6.772 -4.222 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -15.477 -6.324 -4.768 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -15.063 -7.480 -3.518 1.00 0.00 H new ATOM 0 HG LEU A 33 -14.142 -4.593 -3.572 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -15.762 -4.262 -1.746 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -16.562 -4.754 -3.257 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -16.326 -5.937 -1.948 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -13.470 -5.026 -1.240 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -13.946 -6.731 -1.424 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -12.598 -6.074 -2.383 1.00 0.00 H new ATOM 403 N ARG A 34 -14.085 -8.852 -6.246 1.00 0.00 N ATOM 404 CA ARG A 34 -14.172 -10.251 -6.649 1.00 0.00 C ATOM 405 C ARG A 34 -12.869 -10.712 -7.295 1.00 0.00 C ATOM 406 O ARG A 34 -12.218 -11.640 -6.812 1.00 0.00 O ATOM 407 CB ARG A 34 -15.335 -10.452 -7.622 1.00 0.00 C ATOM 408 CG ARG A 34 -16.702 -10.361 -6.963 1.00 0.00 C ATOM 409 CD ARG A 34 -17.818 -10.347 -7.996 1.00 0.00 C ATOM 410 NE ARG A 34 -19.079 -10.838 -7.447 1.00 0.00 N ATOM 411 CZ ARG A 34 -20.263 -10.609 -8.005 1.00 0.00 C ATOM 412 NH1 ARG A 34 -20.346 -9.900 -9.122 1.00 0.00 N ATOM 413 NH2 ARG A 34 -21.365 -11.090 -7.445 1.00 0.00 N ATOM 0 H ARG A 34 -14.537 -8.200 -6.887 1.00 0.00 H new ATOM 0 HA ARG A 34 -14.347 -10.851 -5.756 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -15.271 -9.703 -8.412 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -15.235 -11.427 -8.099 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -16.839 -11.206 -6.289 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -16.755 -9.457 -6.356 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -17.955 -9.331 -8.367 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -17.530 -10.962 -8.849 1.00 0.00 H new ATOM 0 HE ARG A 34 -19.049 -11.387 -6.588 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -19.500 -9.529 -9.555 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -21.256 -9.725 -9.549 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -21.304 -11.636 -6.586 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -22.274 -10.914 -7.874 1.00 0.00 H new ATOM 427 N LEU A 35 -12.494 -10.060 -8.390 1.00 0.00 N ATOM 428 CA LEU A 35 -11.269 -10.403 -9.103 1.00 0.00 C ATOM 429 C LEU A 35 -10.082 -10.466 -8.147 1.00 0.00 C ATOM 430 O LEU A 35 -9.332 -11.443 -8.134 1.00 0.00 O ATOM 431 CB LEU A 35 -10.995 -9.381 -10.208 1.00 0.00 C ATOM 432 CG LEU A 35 -11.763 -9.583 -11.515 1.00 0.00 C ATOM 433 CD1 LEU A 35 -11.807 -8.290 -12.314 1.00 0.00 C ATOM 434 CD2 LEU A 35 -11.134 -10.699 -12.336 1.00 0.00 C ATOM 0 H LEU A 35 -13.021 -9.291 -8.803 1.00 0.00 H new ATOM 0 HA LEU A 35 -11.403 -11.387 -9.552 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -11.228 -8.388 -9.823 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -9.928 -9.394 -10.431 1.00 0.00 H new ATOM 0 HG LEU A 35 -12.786 -9.870 -11.272 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -12.357 -8.453 -13.241 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -12.304 -7.517 -11.728 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -10.791 -7.972 -12.547 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -11.693 -10.829 -13.262 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -10.101 -10.441 -12.569 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -11.157 -11.627 -11.765 1.00 0.00 H new ATOM 446 N LYS A 36 -9.917 -9.418 -7.347 1.00 0.00 N ATOM 447 CA LYS A 36 -8.823 -9.354 -6.385 1.00 0.00 C ATOM 448 C LYS A 36 -9.234 -9.973 -5.052 1.00 0.00 C ATOM 449 O LYS A 36 -8.899 -9.456 -3.988 1.00 0.00 O ATOM 450 CB LYS A 36 -8.388 -7.903 -6.172 1.00 0.00 C ATOM 451 CG LYS A 36 -8.121 -7.152 -7.465 1.00 0.00 C ATOM 452 CD LYS A 36 -6.802 -7.572 -8.092 1.00 0.00 C ATOM 453 CE LYS A 36 -6.507 -6.776 -9.354 1.00 0.00 C ATOM 454 NZ LYS A 36 -6.242 -5.341 -9.056 1.00 0.00 N ATOM 0 H LYS A 36 -10.527 -8.601 -7.346 1.00 0.00 H new ATOM 0 HA LYS A 36 -7.985 -9.923 -6.787 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -9.162 -7.379 -5.611 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -7.486 -7.889 -5.561 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -8.934 -7.336 -8.168 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -8.106 -6.080 -7.268 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -5.995 -7.430 -7.374 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -6.833 -8.635 -8.330 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -5.644 -7.207 -9.862 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -7.351 -6.855 -10.039 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -5.772 -4.898 -9.871 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -7.141 -4.854 -8.868 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -5.627 -5.268 -8.220 1.00 0.00 H new ATOM 468 N ALA A 37 -9.961 -11.084 -5.120 1.00 0.00 N ATOM 469 CA ALA A 37 -10.414 -11.774 -3.919 1.00 0.00 C ATOM 470 C ALA A 37 -9.398 -12.819 -3.470 1.00 0.00 C ATOM 471 O ALA A 37 -9.727 -13.738 -2.720 1.00 0.00 O ATOM 472 CB ALA A 37 -11.769 -12.424 -4.163 1.00 0.00 C ATOM 0 H ALA A 37 -10.248 -11.525 -5.994 1.00 0.00 H new ATOM 0 HA ALA A 37 -10.515 -11.037 -3.122 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -12.095 -12.936 -3.258 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -12.497 -11.658 -4.429 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -11.686 -13.144 -4.977 1.00 0.00 H new ATOM 478 N LYS A 38 -8.161 -12.672 -3.934 1.00 0.00 N ATOM 479 CA LYS A 38 -7.096 -13.602 -3.580 1.00 0.00 C ATOM 480 C LYS A 38 -5.935 -12.870 -2.914 1.00 0.00 C ATOM 481 O LYS A 38 -5.458 -13.278 -1.855 1.00 0.00 O ATOM 482 CB LYS A 38 -6.600 -14.339 -4.826 1.00 0.00 C ATOM 483 CG LYS A 38 -7.627 -15.286 -5.421 1.00 0.00 C ATOM 484 CD LYS A 38 -7.515 -16.678 -4.823 1.00 0.00 C ATOM 485 CE LYS A 38 -8.278 -17.703 -5.650 1.00 0.00 C ATOM 486 NZ LYS A 38 -7.675 -19.060 -5.544 1.00 0.00 N ATOM 0 H LYS A 38 -7.872 -11.917 -4.556 1.00 0.00 H new ATOM 0 HA LYS A 38 -7.500 -14.327 -2.873 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -6.313 -13.607 -5.581 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -5.703 -14.903 -4.571 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -8.629 -14.894 -5.247 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -7.490 -15.341 -6.501 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -6.465 -16.966 -4.763 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -7.902 -16.670 -3.804 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -9.315 -17.739 -5.317 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -8.290 -17.391 -6.694 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -8.223 -19.729 -6.121 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -6.693 -19.031 -5.886 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -7.687 -19.369 -4.551 1.00 0.00 H new ATOM 500 N SER A 39 -5.486 -11.787 -3.540 1.00 0.00 N ATOM 501 CA SER A 39 -4.379 -11.000 -3.008 1.00 0.00 C ATOM 502 C SER A 39 -4.886 -9.930 -2.046 1.00 0.00 C ATOM 503 O SER A 39 -6.075 -9.609 -2.028 1.00 0.00 O ATOM 504 CB SER A 39 -3.596 -10.347 -4.149 1.00 0.00 C ATOM 505 OG SER A 39 -2.780 -11.295 -4.816 1.00 0.00 O ATOM 0 H SER A 39 -5.871 -11.434 -4.416 1.00 0.00 H new ATOM 0 HA SER A 39 -3.718 -11.672 -2.461 1.00 0.00 H new ATOM 0 HB2 SER A 39 -4.290 -9.896 -4.859 1.00 0.00 H new ATOM 0 HB3 SER A 39 -2.976 -9.542 -3.755 1.00 0.00 H new ATOM 0 HG SER A 39 -2.292 -10.853 -5.542 1.00 0.00 H new ATOM 511 N LEU A 40 -3.976 -9.383 -1.248 1.00 0.00 N ATOM 512 CA LEU A 40 -4.330 -8.348 -0.282 1.00 0.00 C ATOM 513 C LEU A 40 -4.728 -7.056 -0.989 1.00 0.00 C ATOM 514 O LEU A 40 -3.894 -6.391 -1.606 1.00 0.00 O ATOM 515 CB LEU A 40 -3.157 -8.084 0.664 1.00 0.00 C ATOM 516 CG LEU A 40 -3.265 -6.831 1.533 1.00 0.00 C ATOM 517 CD1 LEU A 40 -4.301 -7.028 2.628 1.00 0.00 C ATOM 518 CD2 LEU A 40 -1.911 -6.481 2.134 1.00 0.00 C ATOM 0 H LEU A 40 -2.988 -9.638 -1.250 1.00 0.00 H new ATOM 0 HA LEU A 40 -5.184 -8.702 0.296 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -3.043 -8.948 1.319 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -2.246 -8.012 0.070 1.00 0.00 H new ATOM 0 HG LEU A 40 -3.586 -6.002 0.903 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -4.364 -6.126 3.236 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -5.273 -7.230 2.177 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -4.010 -7.870 3.257 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -2.006 -5.587 2.750 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -1.561 -7.310 2.750 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -1.195 -6.296 1.334 1.00 0.00 H new ATOM 530 N LEU A 41 -6.005 -6.705 -0.893 1.00 0.00 N ATOM 531 CA LEU A 41 -6.514 -5.490 -1.521 1.00 0.00 C ATOM 532 C LEU A 41 -6.455 -4.312 -0.555 1.00 0.00 C ATOM 533 O LEU A 41 -6.818 -4.435 0.615 1.00 0.00 O ATOM 534 CB LEU A 41 -7.952 -5.703 -1.997 1.00 0.00 C ATOM 535 CG LEU A 41 -8.465 -4.716 -3.046 1.00 0.00 C ATOM 536 CD1 LEU A 41 -7.994 -5.120 -4.434 1.00 0.00 C ATOM 537 CD2 LEU A 41 -9.984 -4.630 -3.000 1.00 0.00 C ATOM 0 H LEU A 41 -6.707 -7.244 -0.387 1.00 0.00 H new ATOM 0 HA LEU A 41 -5.883 -5.263 -2.380 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -8.033 -6.711 -2.405 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -8.611 -5.656 -1.130 1.00 0.00 H new ATOM 0 HG LEU A 41 -8.058 -3.730 -2.819 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -8.369 -4.406 -5.167 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -6.904 -5.129 -4.460 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -8.371 -6.115 -4.671 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -10.331 -3.923 -3.753 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -10.410 -5.613 -3.201 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -10.300 -4.293 -2.013 1.00 0.00 H new ATOM 549 N VAL A 42 -5.997 -3.167 -1.053 1.00 0.00 N ATOM 550 CA VAL A 42 -5.893 -1.965 -0.235 1.00 0.00 C ATOM 551 C VAL A 42 -6.624 -0.795 -0.884 1.00 0.00 C ATOM 552 O VAL A 42 -6.175 -0.251 -1.893 1.00 0.00 O ATOM 553 CB VAL A 42 -4.423 -1.571 0.000 1.00 0.00 C ATOM 554 CG1 VAL A 42 -4.337 -0.293 0.820 1.00 0.00 C ATOM 555 CG2 VAL A 42 -3.671 -2.704 0.683 1.00 0.00 C ATOM 0 H VAL A 42 -5.692 -3.047 -2.019 1.00 0.00 H new ATOM 0 HA VAL A 42 -6.357 -2.193 0.724 1.00 0.00 H new ATOM 0 HB VAL A 42 -3.955 -1.386 -0.967 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -3.291 -0.030 0.976 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -4.839 0.515 0.288 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -4.820 -0.447 1.785 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -2.634 -2.409 0.841 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -4.137 -2.923 1.644 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -3.703 -3.593 0.054 1.00 0.00 H new ATOM 565 N VAL A 43 -7.753 -0.410 -0.297 1.00 0.00 N ATOM 566 CA VAL A 43 -8.546 0.697 -0.816 1.00 0.00 C ATOM 567 C VAL A 43 -8.249 1.988 -0.060 1.00 0.00 C ATOM 568 O VAL A 43 -8.613 2.134 1.107 1.00 0.00 O ATOM 569 CB VAL A 43 -10.054 0.398 -0.727 1.00 0.00 C ATOM 570 CG1 VAL A 43 -10.866 1.609 -1.161 1.00 0.00 C ATOM 571 CG2 VAL A 43 -10.406 -0.819 -1.569 1.00 0.00 C ATOM 0 H VAL A 43 -8.139 -0.849 0.539 1.00 0.00 H new ATOM 0 HA VAL A 43 -8.269 0.821 -1.863 1.00 0.00 H new ATOM 0 HB VAL A 43 -10.302 0.178 0.311 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -11.929 1.378 -1.091 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -10.635 2.454 -0.512 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -10.617 1.864 -2.191 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -11.475 -1.016 -1.495 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -10.144 -0.630 -2.610 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -9.852 -1.685 -1.207 1.00 0.00 H new ATOM 581 N HIS A 44 -7.587 2.923 -0.734 1.00 0.00 N ATOM 582 CA HIS A 44 -7.242 4.203 -0.125 1.00 0.00 C ATOM 583 C HIS A 44 -8.242 5.282 -0.528 1.00 0.00 C ATOM 584 O HIS A 44 -8.598 5.408 -1.700 1.00 0.00 O ATOM 585 CB HIS A 44 -5.830 4.622 -0.535 1.00 0.00 C ATOM 586 CG HIS A 44 -5.520 6.056 -0.235 1.00 0.00 C ATOM 587 ND1 HIS A 44 -5.046 6.938 -1.183 1.00 0.00 N ATOM 588 CD2 HIS A 44 -5.619 6.761 0.916 1.00 0.00 C ATOM 589 CE1 HIS A 44 -4.867 8.124 -0.628 1.00 0.00 C ATOM 590 NE2 HIS A 44 -5.208 8.043 0.645 1.00 0.00 N ATOM 0 H HIS A 44 -7.279 2.819 -1.701 1.00 0.00 H new ATOM 0 HA HIS A 44 -7.278 4.084 0.958 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -5.108 3.988 -0.021 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -5.704 4.447 -1.604 1.00 0.00 H new ATOM 0 HD1 HIS A 44 -4.862 6.711 -2.160 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -5.958 6.385 1.870 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -4.504 9.009 -1.130 1.00 0.00 H new ATOM 599 N PHE A 45 -8.693 6.059 0.452 1.00 0.00 N ATOM 600 CA PHE A 45 -9.653 7.127 0.200 1.00 0.00 C ATOM 601 C PHE A 45 -8.940 8.453 -0.048 1.00 0.00 C ATOM 602 O PHE A 45 -8.275 8.987 0.839 1.00 0.00 O ATOM 603 CB PHE A 45 -10.615 7.266 1.382 1.00 0.00 C ATOM 604 CG PHE A 45 -11.846 6.415 1.256 1.00 0.00 C ATOM 605 CD1 PHE A 45 -11.809 5.067 1.574 1.00 0.00 C ATOM 606 CD2 PHE A 45 -13.042 6.964 0.820 1.00 0.00 C ATOM 607 CE1 PHE A 45 -12.940 4.281 1.459 1.00 0.00 C ATOM 608 CE2 PHE A 45 -14.176 6.183 0.704 1.00 0.00 C ATOM 609 CZ PHE A 45 -14.125 4.840 1.023 1.00 0.00 C ATOM 0 H PHE A 45 -8.409 5.969 1.427 1.00 0.00 H new ATOM 0 HA PHE A 45 -10.221 6.867 -0.694 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -10.091 6.999 2.300 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -10.913 8.310 1.477 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -10.885 4.625 1.916 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -13.088 8.013 0.568 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -12.897 3.231 1.710 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -15.102 6.623 0.364 1.00 0.00 H new ATOM 0 HZ PHE A 45 -15.010 4.228 0.932 1.00 0.00 H new ATOM 619 N TRP A 46 -9.085 8.977 -1.260 1.00 0.00 N ATOM 620 CA TRP A 46 -8.454 10.240 -1.626 1.00 0.00 C ATOM 621 C TRP A 46 -9.502 11.311 -1.908 1.00 0.00 C ATOM 622 O TRP A 46 -10.534 11.036 -2.520 1.00 0.00 O ATOM 623 CB TRP A 46 -7.559 10.051 -2.851 1.00 0.00 C ATOM 624 CG TRP A 46 -8.323 9.966 -4.138 1.00 0.00 C ATOM 625 CD1 TRP A 46 -8.812 8.835 -4.727 1.00 0.00 C ATOM 626 CD2 TRP A 46 -8.683 11.055 -4.994 1.00 0.00 C ATOM 627 NE1 TRP A 46 -9.455 9.156 -5.899 1.00 0.00 N ATOM 628 CE2 TRP A 46 -9.390 10.511 -6.085 1.00 0.00 C ATOM 629 CE3 TRP A 46 -8.479 12.436 -4.946 1.00 0.00 C ATOM 630 CZ2 TRP A 46 -9.892 11.302 -7.115 1.00 0.00 C ATOM 631 CZ3 TRP A 46 -8.977 13.220 -5.969 1.00 0.00 C ATOM 632 CH2 TRP A 46 -9.677 12.652 -7.041 1.00 0.00 C ATOM 0 H TRP A 46 -9.633 8.547 -2.005 1.00 0.00 H new ATOM 0 HA TRP A 46 -7.843 10.568 -0.785 1.00 0.00 H new ATOM 0 HB2 TRP A 46 -6.855 10.881 -2.909 1.00 0.00 H new ATOM 0 HB3 TRP A 46 -6.971 9.142 -2.725 1.00 0.00 H new ATOM 0 HD1 TRP A 46 -8.709 7.836 -4.331 1.00 0.00 H new ATOM 0 HE1 TRP A 46 -9.907 8.492 -6.528 1.00 0.00 H new ATOM 0 HE3 TRP A 46 -7.941 12.883 -4.123 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 -10.432 10.866 -7.943 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 -8.824 14.289 -5.942 1.00 0.00 H new ATOM 0 HH2 TRP A 46 -10.055 13.292 -7.825 1.00 0.00 H new ATOM 643 N ALA A 47 -9.232 12.531 -1.457 1.00 0.00 N ATOM 644 CA ALA A 47 -10.152 13.643 -1.664 1.00 0.00 C ATOM 645 C ALA A 47 -9.436 14.841 -2.277 1.00 0.00 C ATOM 646 O ALA A 47 -8.289 15.145 -1.949 1.00 0.00 O ATOM 647 CB ALA A 47 -10.809 14.035 -0.349 1.00 0.00 C ATOM 0 H ALA A 47 -8.384 12.775 -0.946 1.00 0.00 H new ATOM 0 HA ALA A 47 -10.924 13.319 -2.362 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -11.493 14.866 -0.518 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -11.362 13.184 0.049 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -10.042 14.335 0.365 1.00 0.00 H new ATOM 653 N PRO A 48 -10.126 15.540 -3.191 1.00 0.00 N ATOM 654 CA PRO A 48 -9.575 16.716 -3.870 1.00 0.00 C ATOM 655 C PRO A 48 -9.421 17.908 -2.932 1.00 0.00 C ATOM 656 O PRO A 48 -8.668 18.840 -3.216 1.00 0.00 O ATOM 657 CB PRO A 48 -10.613 17.018 -4.954 1.00 0.00 C ATOM 658 CG PRO A 48 -11.885 16.449 -4.429 1.00 0.00 C ATOM 659 CD PRO A 48 -11.498 15.235 -3.631 1.00 0.00 C ATOM 0 HA PRO A 48 -8.574 16.530 -4.259 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -10.702 18.090 -5.130 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -10.337 16.561 -5.904 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -12.409 17.174 -3.807 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -12.558 16.182 -5.243 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -12.167 15.081 -2.784 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -11.534 14.328 -4.235 1.00 0.00 H new ATOM 667 N TRP A 49 -10.138 17.872 -1.815 1.00 0.00 N ATOM 668 CA TRP A 49 -10.081 18.950 -0.835 1.00 0.00 C ATOM 669 C TRP A 49 -9.017 18.670 0.221 1.00 0.00 C ATOM 670 O TRP A 49 -8.361 19.587 0.713 1.00 0.00 O ATOM 671 CB TRP A 49 -11.445 19.133 -0.166 1.00 0.00 C ATOM 672 CG TRP A 49 -12.048 17.847 0.314 1.00 0.00 C ATOM 673 CD1 TRP A 49 -12.869 17.014 -0.391 1.00 0.00 C ATOM 674 CD2 TRP A 49 -11.878 17.250 1.604 1.00 0.00 C ATOM 675 NE1 TRP A 49 -13.220 15.935 0.384 1.00 0.00 N ATOM 676 CE2 TRP A 49 -12.624 16.056 1.612 1.00 0.00 C ATOM 677 CE3 TRP A 49 -11.166 17.607 2.752 1.00 0.00 C ATOM 678 CZ2 TRP A 49 -12.679 15.220 2.724 1.00 0.00 C ATOM 679 CZ3 TRP A 49 -11.222 16.776 3.855 1.00 0.00 C ATOM 680 CH2 TRP A 49 -11.973 15.594 3.835 1.00 0.00 C ATOM 0 H TRP A 49 -10.766 17.108 -1.565 1.00 0.00 H new ATOM 0 HA TRP A 49 -9.815 19.869 -1.358 1.00 0.00 H new ATOM 0 HB2 TRP A 49 -11.339 19.814 0.678 1.00 0.00 H new ATOM 0 HB3 TRP A 49 -12.128 19.605 -0.872 1.00 0.00 H new ATOM 0 HD1 TRP A 49 -13.194 17.179 -1.408 1.00 0.00 H new ATOM 0 HE1 TRP A 49 -13.826 15.168 0.092 1.00 0.00 H new ATOM 0 HE3 TRP A 49 -10.583 18.516 2.777 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 -13.258 14.309 2.710 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 -10.677 17.043 4.748 1.00 0.00 H new ATOM 0 HH2 TRP A 49 -11.995 14.966 4.713 1.00 0.00 H new ATOM 691 N ALA A 50 -8.851 17.397 0.564 1.00 0.00 N ATOM 692 CA ALA A 50 -7.865 16.996 1.560 1.00 0.00 C ATOM 693 C ALA A 50 -6.476 16.881 0.942 1.00 0.00 C ATOM 694 O ALA A 50 -6.207 16.006 0.118 1.00 0.00 O ATOM 695 CB ALA A 50 -8.269 15.678 2.203 1.00 0.00 C ATOM 0 H ALA A 50 -9.387 16.625 0.167 1.00 0.00 H new ATOM 0 HA ALA A 50 -7.829 17.767 2.330 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -7.523 15.391 2.944 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -9.238 15.792 2.688 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -8.335 14.905 1.437 1.00 0.00 H new ATOM 701 N PRO A 51 -5.571 17.785 1.345 1.00 0.00 N ATOM 702 CA PRO A 51 -4.194 17.806 0.843 1.00 0.00 C ATOM 703 C PRO A 51 -3.377 16.619 1.342 1.00 0.00 C ATOM 704 O PRO A 51 -2.253 16.396 0.894 1.00 0.00 O ATOM 705 CB PRO A 51 -3.632 19.116 1.401 1.00 0.00 C ATOM 706 CG PRO A 51 -4.446 19.389 2.618 1.00 0.00 C ATOM 707 CD PRO A 51 -5.822 18.857 2.324 1.00 0.00 C ATOM 0 HA PRO A 51 -4.156 17.740 -0.244 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -2.574 19.021 1.645 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -3.720 19.925 0.676 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -4.017 18.900 3.492 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -4.478 20.457 2.834 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -6.306 18.475 3.223 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -6.473 19.630 1.916 1.00 0.00 H new ATOM 715 N GLN A 52 -3.949 15.862 2.273 1.00 0.00 N ATOM 716 CA GLN A 52 -3.272 14.699 2.833 1.00 0.00 C ATOM 717 C GLN A 52 -3.151 13.588 1.796 1.00 0.00 C ATOM 718 O GLN A 52 -2.058 13.083 1.537 1.00 0.00 O ATOM 719 CB GLN A 52 -4.026 14.186 4.062 1.00 0.00 C ATOM 720 CG GLN A 52 -3.732 14.974 5.328 1.00 0.00 C ATOM 721 CD GLN A 52 -4.709 14.667 6.446 1.00 0.00 C ATOM 722 OE1 GLN A 52 -5.858 14.298 6.199 1.00 0.00 O ATOM 723 NE2 GLN A 52 -4.257 14.817 7.686 1.00 0.00 N ATOM 0 H GLN A 52 -4.879 16.033 2.655 1.00 0.00 H new ATOM 0 HA GLN A 52 -2.269 15.003 3.132 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -5.097 14.222 3.862 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -3.767 13.140 4.227 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -2.719 14.750 5.664 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -3.765 16.040 5.104 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -3.298 15.125 7.845 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -4.869 14.624 8.479 1.00 0.00 H new ATOM 732 N CYS A 53 -4.280 13.211 1.205 1.00 0.00 N ATOM 733 CA CYS A 53 -4.300 12.158 0.196 1.00 0.00 C ATOM 734 C CYS A 53 -3.079 12.251 -0.712 1.00 0.00 C ATOM 735 O CYS A 53 -2.643 11.255 -1.288 1.00 0.00 O ATOM 736 CB CYS A 53 -5.579 12.247 -0.637 1.00 0.00 C ATOM 737 SG CYS A 53 -5.757 13.796 -1.553 1.00 0.00 S ATOM 0 H CYS A 53 -5.193 13.619 1.407 1.00 0.00 H new ATOM 0 HA CYS A 53 -4.275 11.196 0.709 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -5.599 11.416 -1.342 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -6.438 12.126 0.022 1.00 0.00 H new ATOM 0 HG CYS A 53 -5.900 14.781 -0.717 1.00 0.00 H new ATOM 743 N ALA A 54 -2.532 13.456 -0.837 1.00 0.00 N ATOM 744 CA ALA A 54 -1.360 13.680 -1.675 1.00 0.00 C ATOM 745 C ALA A 54 -0.178 12.842 -1.201 1.00 0.00 C ATOM 746 O ALA A 54 0.237 11.901 -1.877 1.00 0.00 O ATOM 747 CB ALA A 54 -0.993 15.157 -1.685 1.00 0.00 C ATOM 0 H ALA A 54 -2.882 14.292 -0.369 1.00 0.00 H new ATOM 0 HA ALA A 54 -1.606 13.371 -2.691 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -0.116 15.310 -2.314 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -1.828 15.737 -2.079 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -0.772 15.484 -0.669 1.00 0.00 H new ATOM 753 N GLN A 55 0.361 13.192 -0.037 1.00 0.00 N ATOM 754 CA GLN A 55 1.497 12.472 0.525 1.00 0.00 C ATOM 755 C GLN A 55 1.219 10.973 0.578 1.00 0.00 C ATOM 756 O GLN A 55 2.111 10.158 0.341 1.00 0.00 O ATOM 757 CB GLN A 55 1.814 12.993 1.927 1.00 0.00 C ATOM 758 CG GLN A 55 0.789 12.589 2.974 1.00 0.00 C ATOM 759 CD GLN A 55 0.655 13.611 4.086 1.00 0.00 C ATOM 760 OE1 GLN A 55 0.680 13.266 5.267 1.00 0.00 O ATOM 761 NE2 GLN A 55 0.513 14.877 3.712 1.00 0.00 N ATOM 0 H GLN A 55 0.029 13.969 0.534 1.00 0.00 H new ATOM 0 HA GLN A 55 2.358 12.641 -0.121 1.00 0.00 H new ATOM 0 HB2 GLN A 55 2.794 12.624 2.229 1.00 0.00 H new ATOM 0 HB3 GLN A 55 1.879 14.081 1.895 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -0.180 12.451 2.494 1.00 0.00 H new ATOM 0 HG3 GLN A 55 1.072 11.627 3.402 1.00 0.00 H new ATOM 0 HE21 GLN A 55 0.498 15.117 2.721 1.00 0.00 H new ATOM 0 HE22 GLN A 55 0.419 15.609 4.416 1.00 0.00 H new ATOM 770 N MET A 56 -0.022 10.617 0.890 1.00 0.00 N ATOM 771 CA MET A 56 -0.417 9.215 0.973 1.00 0.00 C ATOM 772 C MET A 56 -0.361 8.552 -0.400 1.00 0.00 C ATOM 773 O MET A 56 0.064 7.405 -0.528 1.00 0.00 O ATOM 774 CB MET A 56 -1.827 9.094 1.553 1.00 0.00 C ATOM 775 CG MET A 56 -1.955 9.652 2.961 1.00 0.00 C ATOM 776 SD MET A 56 -1.510 8.450 4.229 1.00 0.00 S ATOM 777 CE MET A 56 0.270 8.648 4.273 1.00 0.00 C ATOM 0 H MET A 56 -0.772 11.279 1.090 1.00 0.00 H new ATOM 0 HA MET A 56 0.285 8.704 1.632 1.00 0.00 H new ATOM 0 HB2 MET A 56 -2.526 9.616 0.899 1.00 0.00 H new ATOM 0 HB3 MET A 56 -2.120 8.044 1.559 1.00 0.00 H new ATOM 0 HG2 MET A 56 -1.317 10.530 3.059 1.00 0.00 H new ATOM 0 HG3 MET A 56 -2.980 9.983 3.124 1.00 0.00 H new ATOM 0 HE1 MET A 56 0.747 7.727 3.937 1.00 0.00 H new ATOM 0 HE2 MET A 56 0.561 9.468 3.617 1.00 0.00 H new ATOM 0 HE3 MET A 56 0.586 8.869 5.292 1.00 0.00 H new ATOM 787 N ASN A 57 -0.792 9.283 -1.423 1.00 0.00 N ATOM 788 CA ASN A 57 -0.791 8.765 -2.786 1.00 0.00 C ATOM 789 C ASN A 57 0.606 8.307 -3.193 1.00 0.00 C ATOM 790 O ASN A 57 0.808 7.150 -3.561 1.00 0.00 O ATOM 791 CB ASN A 57 -1.293 9.832 -3.760 1.00 0.00 C ATOM 792 CG ASN A 57 -2.797 9.779 -3.952 1.00 0.00 C ATOM 793 OD1 ASN A 57 -3.411 8.717 -3.839 1.00 0.00 O ATOM 794 ND2 ASN A 57 -3.397 10.927 -4.243 1.00 0.00 N ATOM 0 H ASN A 57 -1.146 10.235 -1.334 1.00 0.00 H new ATOM 0 HA ASN A 57 -1.461 7.906 -2.822 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -1.011 10.818 -3.391 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -0.802 9.700 -4.724 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -4.407 10.953 -4.383 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -2.848 11.783 -4.327 1.00 0.00 H new ATOM 801 N GLU A 58 1.567 9.223 -3.124 1.00 0.00 N ATOM 802 CA GLU A 58 2.945 8.912 -3.486 1.00 0.00 C ATOM 803 C GLU A 58 3.461 7.717 -2.689 1.00 0.00 C ATOM 804 O GLU A 58 4.284 6.941 -3.175 1.00 0.00 O ATOM 805 CB GLU A 58 3.845 10.126 -3.245 1.00 0.00 C ATOM 806 CG GLU A 58 3.927 10.543 -1.786 1.00 0.00 C ATOM 807 CD GLU A 58 5.211 11.282 -1.462 1.00 0.00 C ATOM 808 OE1 GLU A 58 6.256 10.616 -1.310 1.00 0.00 O ATOM 809 OE2 GLU A 58 5.170 12.526 -1.359 1.00 0.00 O ATOM 0 H GLU A 58 1.417 10.185 -2.821 1.00 0.00 H new ATOM 0 HA GLU A 58 2.966 8.657 -4.545 1.00 0.00 H new ATOM 0 HB2 GLU A 58 4.848 9.901 -3.607 1.00 0.00 H new ATOM 0 HB3 GLU A 58 3.474 10.965 -3.834 1.00 0.00 H new ATOM 0 HG2 GLU A 58 3.075 11.179 -1.545 1.00 0.00 H new ATOM 0 HG3 GLU A 58 3.852 9.658 -1.154 1.00 0.00 H new ATOM 816 N VAL A 59 2.970 7.575 -1.462 1.00 0.00 N ATOM 817 CA VAL A 59 3.379 6.475 -0.597 1.00 0.00 C ATOM 818 C VAL A 59 2.868 5.140 -1.127 1.00 0.00 C ATOM 819 O VAL A 59 3.575 4.134 -1.088 1.00 0.00 O ATOM 820 CB VAL A 59 2.869 6.673 0.843 1.00 0.00 C ATOM 821 CG1 VAL A 59 3.187 5.454 1.695 1.00 0.00 C ATOM 822 CG2 VAL A 59 3.469 7.931 1.452 1.00 0.00 C ATOM 0 H VAL A 59 2.288 8.208 -1.045 1.00 0.00 H new ATOM 0 HA VAL A 59 4.469 6.467 -0.590 1.00 0.00 H new ATOM 0 HB VAL A 59 1.786 6.792 0.813 1.00 0.00 H new ATOM 0 HG11 VAL A 59 2.819 5.613 2.709 1.00 0.00 H new ATOM 0 HG12 VAL A 59 2.705 4.575 1.267 1.00 0.00 H new ATOM 0 HG13 VAL A 59 4.266 5.299 1.721 1.00 0.00 H new ATOM 0 HG21 VAL A 59 3.098 8.055 2.469 1.00 0.00 H new ATOM 0 HG22 VAL A 59 4.555 7.844 1.470 1.00 0.00 H new ATOM 0 HG23 VAL A 59 3.184 8.796 0.854 1.00 0.00 H new ATOM 832 N MET A 60 1.635 5.139 -1.622 1.00 0.00 N ATOM 833 CA MET A 60 1.029 3.927 -2.162 1.00 0.00 C ATOM 834 C MET A 60 1.833 3.400 -3.347 1.00 0.00 C ATOM 835 O MET A 60 2.313 2.267 -3.327 1.00 0.00 O ATOM 836 CB MET A 60 -0.414 4.200 -2.590 1.00 0.00 C ATOM 837 CG MET A 60 -1.338 4.536 -1.431 1.00 0.00 C ATOM 838 SD MET A 60 -2.968 5.081 -1.978 1.00 0.00 S ATOM 839 CE MET A 60 -3.479 3.678 -2.968 1.00 0.00 C ATOM 0 H MET A 60 1.036 5.963 -1.661 1.00 0.00 H new ATOM 0 HA MET A 60 1.030 3.169 -1.379 1.00 0.00 H new ATOM 0 HB2 MET A 60 -0.423 5.025 -3.302 1.00 0.00 H new ATOM 0 HB3 MET A 60 -0.802 3.325 -3.111 1.00 0.00 H new ATOM 0 HG2 MET A 60 -1.448 3.659 -0.793 1.00 0.00 H new ATOM 0 HG3 MET A 60 -0.883 5.318 -0.823 1.00 0.00 H new ATOM 0 HE1 MET A 60 -4.511 3.816 -3.289 1.00 0.00 H new ATOM 0 HE2 MET A 60 -2.834 3.596 -3.843 1.00 0.00 H new ATOM 0 HE3 MET A 60 -3.403 2.767 -2.375 1.00 0.00 H new ATOM 849 N ALA A 61 1.974 4.228 -4.376 1.00 0.00 N ATOM 850 CA ALA A 61 2.720 3.844 -5.568 1.00 0.00 C ATOM 851 C ALA A 61 3.975 3.059 -5.202 1.00 0.00 C ATOM 852 O ALA A 61 4.132 1.904 -5.597 1.00 0.00 O ATOM 853 CB ALA A 61 3.086 5.077 -6.381 1.00 0.00 C ATOM 0 H ALA A 61 1.582 5.169 -4.409 1.00 0.00 H new ATOM 0 HA ALA A 61 2.083 3.198 -6.172 1.00 0.00 H new ATOM 0 HB1 ALA A 61 3.643 4.776 -7.268 1.00 0.00 H new ATOM 0 HB2 ALA A 61 2.177 5.597 -6.682 1.00 0.00 H new ATOM 0 HB3 ALA A 61 3.701 5.743 -5.775 1.00 0.00 H new ATOM 859 N GLU A 62 4.864 3.693 -4.445 1.00 0.00 N ATOM 860 CA GLU A 62 6.106 3.053 -4.027 1.00 0.00 C ATOM 861 C GLU A 62 5.838 1.655 -3.475 1.00 0.00 C ATOM 862 O GLU A 62 6.592 0.717 -3.737 1.00 0.00 O ATOM 863 CB GLU A 62 6.814 3.903 -2.970 1.00 0.00 C ATOM 864 CG GLU A 62 7.738 4.957 -3.556 1.00 0.00 C ATOM 865 CD GLU A 62 8.835 5.371 -2.594 1.00 0.00 C ATOM 866 OE1 GLU A 62 9.648 4.504 -2.213 1.00 0.00 O ATOM 867 OE2 GLU A 62 8.880 6.563 -2.224 1.00 0.00 O ATOM 0 H GLU A 62 4.748 4.649 -4.109 1.00 0.00 H new ATOM 0 HA GLU A 62 6.751 2.963 -4.901 1.00 0.00 H new ATOM 0 HB2 GLU A 62 6.065 4.394 -2.349 1.00 0.00 H new ATOM 0 HB3 GLU A 62 7.391 3.249 -2.317 1.00 0.00 H new ATOM 0 HG2 GLU A 62 8.188 4.572 -4.471 1.00 0.00 H new ATOM 0 HG3 GLU A 62 7.153 5.834 -3.833 1.00 0.00 H new ATOM 874 N LEU A 63 4.760 1.525 -2.709 1.00 0.00 N ATOM 875 CA LEU A 63 4.392 0.242 -2.119 1.00 0.00 C ATOM 876 C LEU A 63 3.879 -0.720 -3.185 1.00 0.00 C ATOM 877 O LEU A 63 4.117 -1.925 -3.114 1.00 0.00 O ATOM 878 CB LEU A 63 3.326 0.442 -1.041 1.00 0.00 C ATOM 879 CG LEU A 63 3.768 1.210 0.206 1.00 0.00 C ATOM 880 CD1 LEU A 63 2.584 1.459 1.127 1.00 0.00 C ATOM 881 CD2 LEU A 63 4.865 0.451 0.938 1.00 0.00 C ATOM 0 H LEU A 63 4.126 2.291 -2.482 1.00 0.00 H new ATOM 0 HA LEU A 63 5.283 -0.190 -1.664 1.00 0.00 H new ATOM 0 HB2 LEU A 63 2.481 0.968 -1.487 1.00 0.00 H new ATOM 0 HB3 LEU A 63 2.964 -0.538 -0.730 1.00 0.00 H new ATOM 0 HG LEU A 63 4.167 2.175 -0.107 1.00 0.00 H new ATOM 0 HD11 LEU A 63 2.918 2.006 2.009 1.00 0.00 H new ATOM 0 HD12 LEU A 63 1.830 2.044 0.600 1.00 0.00 H new ATOM 0 HD13 LEU A 63 2.154 0.505 1.433 1.00 0.00 H new ATOM 0 HD21 LEU A 63 5.167 1.012 1.822 1.00 0.00 H new ATOM 0 HD22 LEU A 63 4.492 -0.528 1.239 1.00 0.00 H new ATOM 0 HD23 LEU A 63 5.723 0.325 0.278 1.00 0.00 H new ATOM 893 N ALA A 64 3.175 -0.179 -4.174 1.00 0.00 N ATOM 894 CA ALA A 64 2.632 -0.989 -5.258 1.00 0.00 C ATOM 895 C ALA A 64 3.700 -1.905 -5.847 1.00 0.00 C ATOM 896 O ALA A 64 3.561 -3.128 -5.831 1.00 0.00 O ATOM 897 CB ALA A 64 2.043 -0.097 -6.340 1.00 0.00 C ATOM 0 H ALA A 64 2.967 0.817 -4.247 1.00 0.00 H new ATOM 0 HA ALA A 64 1.839 -1.615 -4.848 1.00 0.00 H new ATOM 0 HB1 ALA A 64 1.641 -0.715 -7.143 1.00 0.00 H new ATOM 0 HB2 ALA A 64 1.244 0.511 -5.916 1.00 0.00 H new ATOM 0 HB3 ALA A 64 2.821 0.554 -6.738 1.00 0.00 H new ATOM 903 N LYS A 65 4.765 -1.305 -6.368 1.00 0.00 N ATOM 904 CA LYS A 65 5.857 -2.066 -6.963 1.00 0.00 C ATOM 905 C LYS A 65 6.527 -2.960 -5.923 1.00 0.00 C ATOM 906 O LYS A 65 6.739 -4.149 -6.159 1.00 0.00 O ATOM 907 CB LYS A 65 6.890 -1.119 -7.577 1.00 0.00 C ATOM 908 CG LYS A 65 7.501 -0.153 -6.577 1.00 0.00 C ATOM 909 CD LYS A 65 8.352 0.900 -7.267 1.00 0.00 C ATOM 910 CE LYS A 65 8.996 1.843 -6.261 1.00 0.00 C ATOM 911 NZ LYS A 65 10.304 2.363 -6.748 1.00 0.00 N ATOM 0 H LYS A 65 4.895 -0.294 -6.390 1.00 0.00 H new ATOM 0 HA LYS A 65 5.441 -2.699 -7.747 1.00 0.00 H new ATOM 0 HB2 LYS A 65 7.686 -1.709 -8.032 1.00 0.00 H new ATOM 0 HB3 LYS A 65 6.418 -0.549 -8.377 1.00 0.00 H new ATOM 0 HG2 LYS A 65 6.708 0.334 -6.009 1.00 0.00 H new ATOM 0 HG3 LYS A 65 8.112 -0.705 -5.863 1.00 0.00 H new ATOM 0 HD2 LYS A 65 9.127 0.413 -7.858 1.00 0.00 H new ATOM 0 HD3 LYS A 65 7.735 1.472 -7.960 1.00 0.00 H new ATOM 0 HE2 LYS A 65 8.324 2.678 -6.064 1.00 0.00 H new ATOM 0 HE3 LYS A 65 9.142 1.321 -5.315 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 10.711 3.001 -6.035 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 10.954 1.568 -6.912 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 10.161 2.883 -7.637 1.00 0.00 H new ATOM 925 N GLU A 66 6.855 -2.379 -4.773 1.00 0.00 N ATOM 926 CA GLU A 66 7.500 -3.125 -3.699 1.00 0.00 C ATOM 927 C GLU A 66 6.732 -4.407 -3.390 1.00 0.00 C ATOM 928 O GLU A 66 7.326 -5.466 -3.184 1.00 0.00 O ATOM 929 CB GLU A 66 7.601 -2.262 -2.439 1.00 0.00 C ATOM 930 CG GLU A 66 8.183 -2.997 -1.243 1.00 0.00 C ATOM 931 CD GLU A 66 9.571 -3.543 -1.513 1.00 0.00 C ATOM 932 OE1 GLU A 66 10.511 -2.732 -1.650 1.00 0.00 O ATOM 933 OE2 GLU A 66 9.719 -4.781 -1.587 1.00 0.00 O ATOM 0 H GLU A 66 6.685 -1.396 -4.562 1.00 0.00 H new ATOM 0 HA GLU A 66 8.504 -3.394 -4.029 1.00 0.00 H new ATOM 0 HB2 GLU A 66 8.218 -1.390 -2.655 1.00 0.00 H new ATOM 0 HB3 GLU A 66 6.608 -1.894 -2.181 1.00 0.00 H new ATOM 0 HG2 GLU A 66 8.223 -2.320 -0.389 1.00 0.00 H new ATOM 0 HG3 GLU A 66 7.521 -3.818 -0.968 1.00 0.00 H new ATOM 940 N LEU A 67 5.408 -4.303 -3.357 1.00 0.00 N ATOM 941 CA LEU A 67 4.557 -5.453 -3.073 1.00 0.00 C ATOM 942 C LEU A 67 3.709 -5.818 -4.287 1.00 0.00 C ATOM 943 O LEU A 67 2.599 -5.319 -4.472 1.00 0.00 O ATOM 944 CB LEU A 67 3.652 -5.160 -1.874 1.00 0.00 C ATOM 945 CG LEU A 67 4.345 -4.601 -0.631 1.00 0.00 C ATOM 946 CD1 LEU A 67 3.324 -4.019 0.333 1.00 0.00 C ATOM 947 CD2 LEU A 67 5.170 -5.683 0.051 1.00 0.00 C ATOM 0 H LEU A 67 4.901 -3.434 -3.523 1.00 0.00 H new ATOM 0 HA LEU A 67 5.202 -6.300 -2.836 1.00 0.00 H new ATOM 0 HB2 LEU A 67 2.885 -4.452 -2.188 1.00 0.00 H new ATOM 0 HB3 LEU A 67 3.140 -6.082 -1.597 1.00 0.00 H new ATOM 0 HG LEU A 67 5.017 -3.801 -0.942 1.00 0.00 H new ATOM 0 HD11 LEU A 67 3.836 -3.626 1.212 1.00 0.00 H new ATOM 0 HD12 LEU A 67 2.777 -3.214 -0.158 1.00 0.00 H new ATOM 0 HD13 LEU A 67 2.626 -4.799 0.638 1.00 0.00 H new ATOM 0 HD21 LEU A 67 5.656 -5.268 0.934 1.00 0.00 H new ATOM 0 HD22 LEU A 67 4.518 -6.504 0.348 1.00 0.00 H new ATOM 0 HD23 LEU A 67 5.927 -6.053 -0.640 1.00 0.00 H new ATOM 959 N PRO A 68 4.243 -6.709 -5.135 1.00 0.00 N ATOM 960 CA PRO A 68 3.551 -7.162 -6.346 1.00 0.00 C ATOM 961 C PRO A 68 2.343 -8.038 -6.030 1.00 0.00 C ATOM 962 O PRO A 68 1.436 -8.179 -6.849 1.00 0.00 O ATOM 963 CB PRO A 68 4.620 -7.972 -7.084 1.00 0.00 C ATOM 964 CG PRO A 68 5.551 -8.433 -6.015 1.00 0.00 C ATOM 965 CD PRO A 68 5.562 -7.344 -4.978 1.00 0.00 C ATOM 0 HA PRO A 68 3.154 -6.328 -6.924 1.00 0.00 H new ATOM 0 HB2 PRO A 68 4.180 -8.815 -7.617 1.00 0.00 H new ATOM 0 HB3 PRO A 68 5.138 -7.362 -7.824 1.00 0.00 H new ATOM 0 HG2 PRO A 68 5.216 -9.377 -5.586 1.00 0.00 H new ATOM 0 HG3 PRO A 68 6.551 -8.602 -6.414 1.00 0.00 H new ATOM 0 HD2 PRO A 68 5.697 -7.747 -3.974 1.00 0.00 H new ATOM 0 HD3 PRO A 68 6.372 -6.635 -5.149 1.00 0.00 H new ATOM 973 N GLN A 69 2.339 -8.625 -4.837 1.00 0.00 N ATOM 974 CA GLN A 69 1.242 -9.487 -4.414 1.00 0.00 C ATOM 975 C GLN A 69 0.154 -8.680 -3.714 1.00 0.00 C ATOM 976 O GLN A 69 -0.648 -9.226 -2.956 1.00 0.00 O ATOM 977 CB GLN A 69 1.759 -10.584 -3.482 1.00 0.00 C ATOM 978 CG GLN A 69 2.405 -10.051 -2.213 1.00 0.00 C ATOM 979 CD GLN A 69 3.893 -9.810 -2.373 1.00 0.00 C ATOM 980 OE1 GLN A 69 4.325 -8.582 -2.114 1.00 0.00 O flip ATOM 981 NE2 GLN A 69 4.647 -10.718 -2.726 1.00 0.00 N flip ATOM 0 H GLN A 69 3.083 -8.519 -4.147 1.00 0.00 H new ATOM 0 HA GLN A 69 0.811 -9.948 -5.303 1.00 0.00 H new ATOM 0 HB2 GLN A 69 0.931 -11.239 -3.211 1.00 0.00 H new ATOM 0 HB3 GLN A 69 2.484 -11.194 -4.020 1.00 0.00 H new ATOM 0 HG2 GLN A 69 1.919 -9.119 -1.926 1.00 0.00 H new ATOM 0 HG3 GLN A 69 2.241 -10.759 -1.401 1.00 0.00 H new ATOM 0 HE21 GLN A 69 4.272 -11.648 -2.915 1.00 0.00 H new ATOM 0 HE22 GLN A 69 5.646 -10.540 -2.829 1.00 0.00 H new ATOM 990 N VAL A 70 0.132 -7.376 -3.972 1.00 0.00 N ATOM 991 CA VAL A 70 -0.858 -6.493 -3.368 1.00 0.00 C ATOM 992 C VAL A 70 -1.529 -5.618 -4.420 1.00 0.00 C ATOM 993 O VAL A 70 -0.954 -5.346 -5.474 1.00 0.00 O ATOM 994 CB VAL A 70 -0.224 -5.591 -2.293 1.00 0.00 C ATOM 995 CG1 VAL A 70 -1.234 -4.572 -1.788 1.00 0.00 C ATOM 996 CG2 VAL A 70 0.319 -6.429 -1.146 1.00 0.00 C ATOM 0 H VAL A 70 0.789 -6.908 -4.596 1.00 0.00 H new ATOM 0 HA VAL A 70 -1.607 -7.131 -2.900 1.00 0.00 H new ATOM 0 HB VAL A 70 0.609 -5.050 -2.743 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -0.768 -3.943 -1.029 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -1.570 -3.950 -2.618 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -2.089 -5.091 -1.355 1.00 0.00 H new ATOM 0 HG21 VAL A 70 0.763 -5.775 -0.396 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -0.494 -6.999 -0.695 1.00 0.00 H new ATOM 0 HG23 VAL A 70 1.077 -7.115 -1.524 1.00 0.00 H new ATOM 1006 N SER A 71 -2.749 -5.179 -4.127 1.00 0.00 N ATOM 1007 CA SER A 71 -3.500 -4.336 -5.050 1.00 0.00 C ATOM 1008 C SER A 71 -3.837 -2.994 -4.407 1.00 0.00 C ATOM 1009 O SER A 71 -4.562 -2.932 -3.414 1.00 0.00 O ATOM 1010 CB SER A 71 -4.785 -5.042 -5.487 1.00 0.00 C ATOM 1011 OG SER A 71 -5.388 -4.372 -6.581 1.00 0.00 O ATOM 0 H SER A 71 -3.238 -5.393 -3.258 1.00 0.00 H new ATOM 0 HA SER A 71 -2.878 -4.154 -5.926 1.00 0.00 H new ATOM 0 HB2 SER A 71 -4.561 -6.072 -5.766 1.00 0.00 H new ATOM 0 HB3 SER A 71 -5.484 -5.083 -4.651 1.00 0.00 H new ATOM 0 HG SER A 71 -6.346 -4.578 -6.603 1.00 0.00 H new ATOM 1017 N PHE A 72 -3.306 -1.920 -4.982 1.00 0.00 N ATOM 1018 CA PHE A 72 -3.549 -0.578 -4.466 1.00 0.00 C ATOM 1019 C PHE A 72 -4.580 0.154 -5.320 1.00 0.00 C ATOM 1020 O PHE A 72 -4.338 0.450 -6.490 1.00 0.00 O ATOM 1021 CB PHE A 72 -2.244 0.220 -4.428 1.00 0.00 C ATOM 1022 CG PHE A 72 -1.256 -0.294 -3.420 1.00 0.00 C ATOM 1023 CD1 PHE A 72 -0.468 -1.398 -3.703 1.00 0.00 C ATOM 1024 CD2 PHE A 72 -1.116 0.326 -2.189 1.00 0.00 C ATOM 1025 CE1 PHE A 72 0.440 -1.874 -2.777 1.00 0.00 C ATOM 1026 CE2 PHE A 72 -0.208 -0.145 -1.259 1.00 0.00 C ATOM 1027 CZ PHE A 72 0.572 -1.246 -1.554 1.00 0.00 C ATOM 0 H PHE A 72 -2.705 -1.953 -5.805 1.00 0.00 H new ATOM 0 HA PHE A 72 -3.941 -0.670 -3.453 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -1.786 0.199 -5.417 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -2.471 1.262 -4.203 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -0.565 -1.892 -4.658 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -1.723 1.187 -1.953 1.00 0.00 H new ATOM 0 HE1 PHE A 72 1.046 -2.737 -3.009 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -0.109 0.347 -0.303 1.00 0.00 H new ATOM 0 HZ PHE A 72 1.283 -1.615 -0.830 1.00 0.00 H new ATOM 1037 N VAL A 73 -5.734 0.444 -4.725 1.00 0.00 N ATOM 1038 CA VAL A 73 -6.803 1.141 -5.428 1.00 0.00 C ATOM 1039 C VAL A 73 -7.291 2.345 -4.631 1.00 0.00 C ATOM 1040 O VAL A 73 -7.702 2.215 -3.478 1.00 0.00 O ATOM 1041 CB VAL A 73 -7.995 0.206 -5.707 1.00 0.00 C ATOM 1042 CG1 VAL A 73 -7.579 -0.928 -6.632 1.00 0.00 C ATOM 1043 CG2 VAL A 73 -8.561 -0.338 -4.404 1.00 0.00 C ATOM 0 H VAL A 73 -5.951 0.206 -3.757 1.00 0.00 H new ATOM 0 HA VAL A 73 -6.388 1.481 -6.377 1.00 0.00 H new ATOM 0 HB VAL A 73 -8.777 0.780 -6.204 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -8.434 -1.578 -6.818 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -7.225 -0.516 -7.577 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -6.780 -1.504 -6.165 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -9.402 -0.997 -4.620 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -7.788 -0.897 -3.877 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -8.899 0.490 -3.780 1.00 0.00 H new ATOM 1053 N LYS A 74 -7.244 3.518 -5.253 1.00 0.00 N ATOM 1054 CA LYS A 74 -7.684 4.748 -4.603 1.00 0.00 C ATOM 1055 C LYS A 74 -9.093 5.125 -5.049 1.00 0.00 C ATOM 1056 O LYS A 74 -9.390 5.156 -6.244 1.00 0.00 O ATOM 1057 CB LYS A 74 -6.714 5.890 -4.918 1.00 0.00 C ATOM 1058 CG LYS A 74 -6.753 6.337 -6.369 1.00 0.00 C ATOM 1059 CD LYS A 74 -5.542 7.185 -6.723 1.00 0.00 C ATOM 1060 CE LYS A 74 -5.624 7.703 -8.151 1.00 0.00 C ATOM 1061 NZ LYS A 74 -4.478 8.594 -8.483 1.00 0.00 N ATOM 0 H LYS A 74 -6.906 3.643 -6.207 1.00 0.00 H new ATOM 0 HA LYS A 74 -7.697 4.577 -3.527 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -6.947 6.741 -4.278 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -5.701 5.574 -4.671 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -6.789 5.463 -7.019 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -7.664 6.908 -6.551 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -5.471 8.026 -6.033 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -4.634 6.594 -6.600 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -5.642 6.861 -8.843 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -6.559 8.247 -8.287 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -4.570 8.927 -9.464 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -4.476 9.411 -7.839 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -3.587 8.068 -8.378 1.00 0.00 H new ATOM 1075 N LEU A 75 -9.957 5.414 -4.082 1.00 0.00 N ATOM 1076 CA LEU A 75 -11.335 5.791 -4.375 1.00 0.00 C ATOM 1077 C LEU A 75 -11.591 7.249 -4.004 1.00 0.00 C ATOM 1078 O LEU A 75 -11.127 7.726 -2.970 1.00 0.00 O ATOM 1079 CB LEU A 75 -12.305 4.883 -3.618 1.00 0.00 C ATOM 1080 CG LEU A 75 -13.792 5.196 -3.792 1.00 0.00 C ATOM 1081 CD1 LEU A 75 -14.622 3.928 -3.667 1.00 0.00 C ATOM 1082 CD2 LEU A 75 -14.241 6.232 -2.772 1.00 0.00 C ATOM 0 H LEU A 75 -9.727 5.394 -3.088 1.00 0.00 H new ATOM 0 HA LEU A 75 -11.498 5.673 -5.446 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -12.131 3.855 -3.935 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -12.065 4.934 -2.556 1.00 0.00 H new ATOM 0 HG LEU A 75 -13.943 5.608 -4.790 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -15.677 4.170 -3.794 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -14.318 3.217 -4.435 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -14.466 3.487 -2.682 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -15.301 6.443 -2.910 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -14.076 5.847 -1.766 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -13.668 7.149 -2.908 1.00 0.00 H new ATOM 1094 N GLU A 76 -12.334 7.949 -4.856 1.00 0.00 N ATOM 1095 CA GLU A 76 -12.652 9.351 -4.616 1.00 0.00 C ATOM 1096 C GLU A 76 -13.846 9.485 -3.675 1.00 0.00 C ATOM 1097 O GLU A 76 -14.992 9.290 -4.077 1.00 0.00 O ATOM 1098 CB GLU A 76 -12.949 10.063 -5.937 1.00 0.00 C ATOM 1099 CG GLU A 76 -13.304 11.531 -5.772 1.00 0.00 C ATOM 1100 CD GLU A 76 -13.795 12.162 -7.060 1.00 0.00 C ATOM 1101 OE1 GLU A 76 -13.394 11.686 -8.143 1.00 0.00 O ATOM 1102 OE2 GLU A 76 -14.579 13.131 -6.986 1.00 0.00 O ATOM 0 H GLU A 76 -12.726 7.568 -5.717 1.00 0.00 H new ATOM 0 HA GLU A 76 -11.786 9.818 -4.146 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -12.079 9.979 -6.588 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -13.772 9.553 -6.438 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -14.074 11.631 -5.007 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -12.429 12.075 -5.416 1.00 0.00 H new ATOM 1109 N ALA A 77 -13.567 9.818 -2.419 1.00 0.00 N ATOM 1110 CA ALA A 77 -14.617 9.979 -1.420 1.00 0.00 C ATOM 1111 C ALA A 77 -15.704 10.927 -1.915 1.00 0.00 C ATOM 1112 O ALA A 77 -16.891 10.703 -1.677 1.00 0.00 O ATOM 1113 CB ALA A 77 -14.028 10.486 -0.112 1.00 0.00 C ATOM 0 H ALA A 77 -12.623 9.982 -2.069 1.00 0.00 H new ATOM 0 HA ALA A 77 -15.072 9.004 -1.247 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -14.823 10.602 0.625 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -13.293 9.771 0.257 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -13.546 11.449 -0.279 1.00 0.00 H new ATOM 1119 N GLU A 78 -15.291 11.987 -2.603 1.00 0.00 N ATOM 1120 CA GLU A 78 -16.231 12.970 -3.129 1.00 0.00 C ATOM 1121 C GLU A 78 -16.556 12.683 -4.592 1.00 0.00 C ATOM 1122 O GLU A 78 -16.981 13.571 -5.330 1.00 0.00 O ATOM 1123 CB GLU A 78 -15.659 14.382 -2.989 1.00 0.00 C ATOM 1124 CG GLU A 78 -15.732 14.931 -1.574 1.00 0.00 C ATOM 1125 CD GLU A 78 -17.097 15.499 -1.238 1.00 0.00 C ATOM 1126 OE1 GLU A 78 -18.100 14.992 -1.782 1.00 0.00 O ATOM 1127 OE2 GLU A 78 -17.162 16.451 -0.433 1.00 0.00 O ATOM 0 H GLU A 78 -14.312 12.187 -2.809 1.00 0.00 H new ATOM 0 HA GLU A 78 -17.152 12.901 -2.550 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -14.619 14.377 -3.315 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -16.199 15.052 -3.658 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -15.489 14.137 -0.867 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -14.979 15.709 -1.451 1.00 0.00 H new ATOM 1134 N GLY A 79 -16.350 11.436 -5.004 1.00 0.00 N ATOM 1135 CA GLY A 79 -16.625 11.054 -6.377 1.00 0.00 C ATOM 1136 C GLY A 79 -17.595 9.893 -6.473 1.00 0.00 C ATOM 1137 O GLY A 79 -18.421 9.838 -7.384 1.00 0.00 O ATOM 0 H GLY A 79 -15.998 10.684 -4.412 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -17.034 11.910 -6.914 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -15.691 10.785 -6.870 1.00 0.00 H new ATOM 1141 N VAL A 80 -17.494 8.960 -5.531 1.00 0.00 N ATOM 1142 CA VAL A 80 -18.368 7.794 -5.513 1.00 0.00 C ATOM 1143 C VAL A 80 -19.011 7.610 -4.143 1.00 0.00 C ATOM 1144 O VAL A 80 -18.602 6.765 -3.346 1.00 0.00 O ATOM 1145 CB VAL A 80 -17.601 6.511 -5.884 1.00 0.00 C ATOM 1146 CG1 VAL A 80 -18.538 5.313 -5.898 1.00 0.00 C ATOM 1147 CG2 VAL A 80 -16.910 6.674 -7.229 1.00 0.00 C ATOM 0 H VAL A 80 -16.815 8.990 -4.770 1.00 0.00 H new ATOM 0 HA VAL A 80 -19.146 7.971 -6.256 1.00 0.00 H new ATOM 0 HB VAL A 80 -16.836 6.334 -5.128 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -17.978 4.416 -6.162 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -18.981 5.186 -4.910 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -19.327 5.477 -6.632 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -16.373 5.758 -7.475 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -17.655 6.876 -7.999 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -16.206 7.505 -7.178 1.00 0.00 H new ATOM 1157 N PRO A 81 -20.043 8.419 -3.861 1.00 0.00 N ATOM 1158 CA PRO A 81 -20.766 8.364 -2.587 1.00 0.00 C ATOM 1159 C PRO A 81 -21.597 7.094 -2.446 1.00 0.00 C ATOM 1160 O PRO A 81 -22.165 6.827 -1.387 1.00 0.00 O ATOM 1161 CB PRO A 81 -21.676 9.594 -2.642 1.00 0.00 C ATOM 1162 CG PRO A 81 -21.867 9.859 -4.095 1.00 0.00 C ATOM 1163 CD PRO A 81 -20.584 9.449 -4.763 1.00 0.00 C ATOM 0 HA PRO A 81 -20.087 8.356 -1.734 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -22.628 9.405 -2.146 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -21.219 10.447 -2.141 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -22.710 9.291 -4.488 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -22.081 10.913 -4.275 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -20.760 9.054 -5.764 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -19.899 10.290 -4.868 1.00 0.00 H new ATOM 1171 N GLU A 82 -21.663 6.313 -3.520 1.00 0.00 N ATOM 1172 CA GLU A 82 -22.425 5.070 -3.514 1.00 0.00 C ATOM 1173 C GLU A 82 -21.762 4.029 -2.616 1.00 0.00 C ATOM 1174 O GLU A 82 -22.437 3.202 -2.002 1.00 0.00 O ATOM 1175 CB GLU A 82 -22.559 4.521 -4.936 1.00 0.00 C ATOM 1176 CG GLU A 82 -23.499 3.332 -5.044 1.00 0.00 C ATOM 1177 CD GLU A 82 -24.933 3.690 -4.703 1.00 0.00 C ATOM 1178 OE1 GLU A 82 -25.456 4.665 -5.282 1.00 0.00 O ATOM 1179 OE2 GLU A 82 -25.532 2.993 -3.857 1.00 0.00 O ATOM 0 H GLU A 82 -21.198 6.519 -4.404 1.00 0.00 H new ATOM 0 HA GLU A 82 -23.418 5.285 -3.120 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -22.916 5.316 -5.591 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -21.573 4.228 -5.298 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -23.459 2.933 -6.057 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -23.157 2.541 -4.376 1.00 0.00 H new ATOM 1186 N VAL A 83 -20.436 4.076 -2.545 1.00 0.00 N ATOM 1187 CA VAL A 83 -19.681 3.139 -1.722 1.00 0.00 C ATOM 1188 C VAL A 83 -19.380 3.730 -0.350 1.00 0.00 C ATOM 1189 O VAL A 83 -19.440 3.035 0.664 1.00 0.00 O ATOM 1190 CB VAL A 83 -18.356 2.740 -2.399 1.00 0.00 C ATOM 1191 CG1 VAL A 83 -17.543 1.833 -1.487 1.00 0.00 C ATOM 1192 CG2 VAL A 83 -18.623 2.065 -3.736 1.00 0.00 C ATOM 0 H VAL A 83 -19.862 4.753 -3.048 1.00 0.00 H new ATOM 0 HA VAL A 83 -20.302 2.251 -1.603 1.00 0.00 H new ATOM 0 HB VAL A 83 -17.776 3.644 -2.584 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -16.610 1.561 -1.982 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -17.321 2.356 -0.557 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -18.114 0.931 -1.268 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -17.676 1.790 -4.200 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -19.223 1.169 -3.578 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -19.161 2.752 -4.389 1.00 0.00 H new ATOM 1202 N SER A 84 -19.057 5.019 -0.325 1.00 0.00 N ATOM 1203 CA SER A 84 -18.743 5.705 0.923 1.00 0.00 C ATOM 1204 C SER A 84 -19.896 5.582 1.915 1.00 0.00 C ATOM 1205 O SER A 84 -19.683 5.537 3.126 1.00 0.00 O ATOM 1206 CB SER A 84 -18.440 7.181 0.657 1.00 0.00 C ATOM 1207 OG SER A 84 -17.248 7.329 -0.095 1.00 0.00 O ATOM 0 H SER A 84 -19.006 5.610 -1.155 1.00 0.00 H new ATOM 0 HA SER A 84 -17.861 5.233 1.356 1.00 0.00 H new ATOM 0 HB2 SER A 84 -19.272 7.635 0.119 1.00 0.00 H new ATOM 0 HB3 SER A 84 -18.345 7.712 1.604 1.00 0.00 H new ATOM 0 HG SER A 84 -17.077 8.281 -0.253 1.00 0.00 H new ATOM 1213 N GLU A 85 -21.116 5.528 1.391 1.00 0.00 N ATOM 1214 CA GLU A 85 -22.303 5.411 2.230 1.00 0.00 C ATOM 1215 C GLU A 85 -22.358 4.044 2.907 1.00 0.00 C ATOM 1216 O GLU A 85 -22.586 3.945 4.113 1.00 0.00 O ATOM 1217 CB GLU A 85 -23.567 5.630 1.397 1.00 0.00 C ATOM 1218 CG GLU A 85 -23.864 4.496 0.430 1.00 0.00 C ATOM 1219 CD GLU A 85 -25.119 4.738 -0.386 1.00 0.00 C ATOM 1220 OE1 GLU A 85 -26.119 5.215 0.190 1.00 0.00 O ATOM 1221 OE2 GLU A 85 -25.101 4.451 -1.601 1.00 0.00 O ATOM 0 H GLU A 85 -21.309 5.563 0.390 1.00 0.00 H new ATOM 0 HA GLU A 85 -22.248 6.178 3.002 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -24.417 5.756 2.068 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -23.465 6.558 0.835 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -23.017 4.367 -0.243 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -23.972 3.566 0.989 1.00 0.00 H new ATOM 1228 N LYS A 86 -22.147 2.993 2.123 1.00 0.00 N ATOM 1229 CA LYS A 86 -22.171 1.632 2.644 1.00 0.00 C ATOM 1230 C LYS A 86 -21.236 1.491 3.842 1.00 0.00 C ATOM 1231 O LYS A 86 -21.662 1.108 4.932 1.00 0.00 O ATOM 1232 CB LYS A 86 -21.770 0.638 1.552 1.00 0.00 C ATOM 1233 CG LYS A 86 -21.942 -0.815 1.958 1.00 0.00 C ATOM 1234 CD LYS A 86 -21.204 -1.750 1.015 1.00 0.00 C ATOM 1235 CE LYS A 86 -21.347 -3.202 1.444 1.00 0.00 C ATOM 1236 NZ LYS A 86 -22.666 -3.770 1.050 1.00 0.00 N ATOM 0 H LYS A 86 -21.957 3.058 1.123 1.00 0.00 H new ATOM 0 HA LYS A 86 -23.188 1.413 2.970 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -22.367 0.830 0.661 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -20.728 0.810 1.281 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -21.573 -0.956 2.974 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -23.002 -1.068 1.966 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -21.592 -1.629 0.004 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -20.148 -1.480 0.986 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -20.549 -3.793 0.996 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -21.229 -3.274 2.525 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -22.724 -4.761 1.360 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -23.428 -3.222 1.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -22.769 -3.725 0.016 1.00 0.00 H new ATOM 1250 N TYR A 87 -19.963 1.804 3.632 1.00 0.00 N ATOM 1251 CA TYR A 87 -18.968 1.712 4.694 1.00 0.00 C ATOM 1252 C TYR A 87 -19.007 2.949 5.586 1.00 0.00 C ATOM 1253 O TYR A 87 -18.398 2.975 6.655 1.00 0.00 O ATOM 1254 CB TYR A 87 -17.569 1.543 4.099 1.00 0.00 C ATOM 1255 CG TYR A 87 -17.426 0.314 3.230 1.00 0.00 C ATOM 1256 CD1 TYR A 87 -17.735 0.355 1.876 1.00 0.00 C ATOM 1257 CD2 TYR A 87 -16.979 -0.890 3.763 1.00 0.00 C ATOM 1258 CE1 TYR A 87 -17.606 -0.765 1.079 1.00 0.00 C ATOM 1259 CE2 TYR A 87 -16.846 -2.015 2.973 1.00 0.00 C ATOM 1260 CZ TYR A 87 -17.161 -1.948 1.632 1.00 0.00 C ATOM 1261 OH TYR A 87 -17.029 -3.066 0.841 1.00 0.00 O ATOM 0 H TYR A 87 -19.595 2.124 2.736 1.00 0.00 H new ATOM 0 HA TYR A 87 -19.204 0.839 5.303 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -17.325 2.426 3.508 1.00 0.00 H new ATOM 0 HB3 TYR A 87 -16.842 1.491 4.910 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -18.082 1.280 1.439 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -16.732 -0.946 4.813 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -17.852 -0.715 0.029 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -16.497 -2.942 3.403 1.00 0.00 H new ATOM 0 HH TYR A 87 -16.704 -3.814 1.384 1.00 0.00 H new ATOM 1271 N GLU A 88 -19.729 3.971 5.138 1.00 0.00 N ATOM 1272 CA GLU A 88 -19.848 5.212 5.895 1.00 0.00 C ATOM 1273 C GLU A 88 -18.486 5.881 6.060 1.00 0.00 C ATOM 1274 O GLU A 88 -18.137 6.341 7.148 1.00 0.00 O ATOM 1275 CB GLU A 88 -20.465 4.940 7.269 1.00 0.00 C ATOM 1276 CG GLU A 88 -21.900 4.445 7.204 1.00 0.00 C ATOM 1277 CD GLU A 88 -22.611 4.542 8.540 1.00 0.00 C ATOM 1278 OE1 GLU A 88 -22.742 5.668 9.063 1.00 0.00 O ATOM 1279 OE2 GLU A 88 -23.037 3.490 9.062 1.00 0.00 O ATOM 0 H GLU A 88 -20.240 3.964 4.255 1.00 0.00 H new ATOM 0 HA GLU A 88 -20.500 5.886 5.339 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -19.858 4.200 7.791 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -20.431 5.855 7.861 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -22.448 5.026 6.462 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -21.908 3.409 6.867 1.00 0.00 H new ATOM 1286 N ILE A 89 -17.722 5.930 4.974 1.00 0.00 N ATOM 1287 CA ILE A 89 -16.400 6.543 4.999 1.00 0.00 C ATOM 1288 C ILE A 89 -16.495 8.060 4.876 1.00 0.00 C ATOM 1289 O ILE A 89 -16.397 8.612 3.781 1.00 0.00 O ATOM 1290 CB ILE A 89 -15.508 6.002 3.865 1.00 0.00 C ATOM 1291 CG1 ILE A 89 -15.282 4.499 4.037 1.00 0.00 C ATOM 1292 CG2 ILE A 89 -14.180 6.744 3.837 1.00 0.00 C ATOM 1293 CD1 ILE A 89 -14.407 4.151 5.221 1.00 0.00 C ATOM 0 H ILE A 89 -17.996 5.553 4.067 1.00 0.00 H new ATOM 0 HA ILE A 89 -15.951 6.286 5.958 1.00 0.00 H new ATOM 0 HB ILE A 89 -16.014 6.167 2.914 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -16.247 4.005 4.151 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -14.826 4.102 3.130 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -13.561 6.351 3.031 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -14.360 7.806 3.671 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -13.667 6.607 4.789 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -14.290 3.069 5.281 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -13.429 4.616 5.099 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -14.871 4.517 6.137 1.00 0.00 H new ATOM 1305 N SER A 90 -16.683 8.729 6.009 1.00 0.00 N ATOM 1306 CA SER A 90 -16.793 10.183 6.030 1.00 0.00 C ATOM 1307 C SER A 90 -15.539 10.814 6.627 1.00 0.00 C ATOM 1308 O SER A 90 -15.617 11.792 7.370 1.00 0.00 O ATOM 1309 CB SER A 90 -18.025 10.611 6.830 1.00 0.00 C ATOM 1310 OG SER A 90 -17.930 10.185 8.178 1.00 0.00 O ATOM 0 H SER A 90 -16.762 8.287 6.925 1.00 0.00 H new ATOM 0 HA SER A 90 -16.898 10.530 5.002 1.00 0.00 H new ATOM 0 HB2 SER A 90 -18.127 11.696 6.794 1.00 0.00 H new ATOM 0 HB3 SER A 90 -18.922 10.191 6.375 1.00 0.00 H new ATOM 0 HG SER A 90 -18.728 10.472 8.669 1.00 0.00 H new ATOM 1316 N SER A 91 -14.384 10.246 6.297 1.00 0.00 N ATOM 1317 CA SER A 91 -13.112 10.750 6.803 1.00 0.00 C ATOM 1318 C SER A 91 -11.964 10.347 5.883 1.00 0.00 C ATOM 1319 O SER A 91 -11.911 9.218 5.394 1.00 0.00 O ATOM 1320 CB SER A 91 -12.858 10.223 8.217 1.00 0.00 C ATOM 1321 OG SER A 91 -13.487 11.042 9.187 1.00 0.00 O ATOM 0 H SER A 91 -14.302 9.437 5.682 1.00 0.00 H new ATOM 0 HA SER A 91 -13.165 11.838 6.833 1.00 0.00 H new ATOM 0 HB2 SER A 91 -13.232 9.202 8.301 1.00 0.00 H new ATOM 0 HB3 SER A 91 -11.785 10.186 8.408 1.00 0.00 H new ATOM 0 HG SER A 91 -14.283 11.459 8.796 1.00 0.00 H new ATOM 1327 N VAL A 92 -11.045 11.279 5.652 1.00 0.00 N ATOM 1328 CA VAL A 92 -9.896 11.023 4.792 1.00 0.00 C ATOM 1329 C VAL A 92 -8.658 11.758 5.295 1.00 0.00 C ATOM 1330 O VAL A 92 -8.744 12.821 5.910 1.00 0.00 O ATOM 1331 CB VAL A 92 -10.176 11.448 3.338 1.00 0.00 C ATOM 1332 CG1 VAL A 92 -11.436 10.773 2.818 1.00 0.00 C ATOM 1333 CG2 VAL A 92 -10.293 12.961 3.239 1.00 0.00 C ATOM 0 H VAL A 92 -11.074 12.218 6.049 1.00 0.00 H new ATOM 0 HA VAL A 92 -9.714 9.949 4.820 1.00 0.00 H new ATOM 0 HB VAL A 92 -9.339 11.130 2.717 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -11.618 11.085 1.790 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -11.310 9.691 2.852 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -12.285 11.059 3.439 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -10.491 13.244 2.205 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -11.111 13.305 3.872 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -9.361 13.420 3.569 1.00 0.00 H new ATOM 1343 N PRO A 93 -7.477 11.181 5.027 1.00 0.00 N ATOM 1344 CA PRO A 93 -7.363 9.916 4.295 1.00 0.00 C ATOM 1345 C PRO A 93 -7.870 8.729 5.107 1.00 0.00 C ATOM 1346 O PRO A 93 -7.979 8.801 6.331 1.00 0.00 O ATOM 1347 CB PRO A 93 -5.858 9.788 4.042 1.00 0.00 C ATOM 1348 CG PRO A 93 -5.222 10.581 5.131 1.00 0.00 C ATOM 1349 CD PRO A 93 -6.164 11.719 5.418 1.00 0.00 C ATOM 0 HA PRO A 93 -7.964 9.915 3.386 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -5.539 8.746 4.073 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -5.587 10.176 3.060 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -5.067 9.969 6.020 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -4.244 10.952 4.824 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -6.143 12.003 6.470 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -5.907 12.609 4.843 1.00 0.00 H new ATOM 1357 N THR A 94 -8.178 7.635 4.417 1.00 0.00 N ATOM 1358 CA THR A 94 -8.675 6.432 5.074 1.00 0.00 C ATOM 1359 C THR A 94 -8.516 5.210 4.176 1.00 0.00 C ATOM 1360 O THR A 94 -9.097 5.145 3.092 1.00 0.00 O ATOM 1361 CB THR A 94 -10.157 6.577 5.467 1.00 0.00 C ATOM 1362 OG1 THR A 94 -10.297 7.572 6.488 1.00 0.00 O ATOM 1363 CG2 THR A 94 -10.718 5.253 5.962 1.00 0.00 C ATOM 0 H THR A 94 -8.092 7.557 3.404 1.00 0.00 H new ATOM 0 HA THR A 94 -8.080 6.296 5.977 1.00 0.00 H new ATOM 0 HB THR A 94 -10.717 6.882 4.583 1.00 0.00 H new ATOM 0 HG1 THR A 94 -11.124 8.077 6.341 1.00 0.00 H new ATOM 0 HG21 THR A 94 -11.766 5.381 6.234 1.00 0.00 H new ATOM 0 HG22 THR A 94 -10.636 4.505 5.173 1.00 0.00 H new ATOM 0 HG23 THR A 94 -10.155 4.923 6.835 1.00 0.00 H new ATOM 1371 N PHE A 95 -7.728 4.243 4.634 1.00 0.00 N ATOM 1372 CA PHE A 95 -7.494 3.023 3.871 1.00 0.00 C ATOM 1373 C PHE A 95 -8.411 1.900 4.346 1.00 0.00 C ATOM 1374 O PHE A 95 -8.825 1.870 5.506 1.00 0.00 O ATOM 1375 CB PHE A 95 -6.031 2.590 3.998 1.00 0.00 C ATOM 1376 CG PHE A 95 -5.053 3.680 3.667 1.00 0.00 C ATOM 1377 CD1 PHE A 95 -4.779 4.684 4.581 1.00 0.00 C ATOM 1378 CD2 PHE A 95 -4.407 3.701 2.441 1.00 0.00 C ATOM 1379 CE1 PHE A 95 -3.879 5.689 4.280 1.00 0.00 C ATOM 1380 CE2 PHE A 95 -3.505 4.702 2.135 1.00 0.00 C ATOM 1381 CZ PHE A 95 -3.241 5.698 3.055 1.00 0.00 C ATOM 0 H PHE A 95 -7.241 4.281 5.529 1.00 0.00 H new ATOM 0 HA PHE A 95 -7.715 3.231 2.824 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -5.849 2.246 5.016 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -5.853 1.741 3.338 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -5.275 4.682 5.541 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -4.611 2.926 1.717 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -3.675 6.466 5.002 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -3.007 4.706 1.177 1.00 0.00 H new ATOM 0 HZ PHE A 95 -2.537 6.482 2.817 1.00 0.00 H new ATOM 1391 N LEU A 96 -8.726 0.979 3.442 1.00 0.00 N ATOM 1392 CA LEU A 96 -9.595 -0.147 3.766 1.00 0.00 C ATOM 1393 C LEU A 96 -9.027 -1.450 3.214 1.00 0.00 C ATOM 1394 O LEU A 96 -9.086 -1.704 2.011 1.00 0.00 O ATOM 1395 CB LEU A 96 -10.999 0.089 3.207 1.00 0.00 C ATOM 1396 CG LEU A 96 -11.914 0.982 4.045 1.00 0.00 C ATOM 1397 CD1 LEU A 96 -13.193 1.299 3.285 1.00 0.00 C ATOM 1398 CD2 LEU A 96 -12.234 0.318 5.376 1.00 0.00 C ATOM 0 H LEU A 96 -8.392 0.990 2.478 1.00 0.00 H new ATOM 0 HA LEU A 96 -9.652 -0.229 4.851 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -10.904 0.530 2.215 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -11.485 -0.878 3.081 1.00 0.00 H new ATOM 0 HG LEU A 96 -11.392 1.918 4.244 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -13.832 1.936 3.897 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -12.947 1.817 2.358 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -13.718 0.372 3.054 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -12.886 0.968 5.959 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -12.735 -0.633 5.197 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -11.310 0.143 5.927 1.00 0.00 H new ATOM 1410 N PHE A 97 -8.480 -2.274 4.101 1.00 0.00 N ATOM 1411 CA PHE A 97 -7.903 -3.553 3.702 1.00 0.00 C ATOM 1412 C PHE A 97 -8.984 -4.621 3.574 1.00 0.00 C ATOM 1413 O PHE A 97 -9.675 -4.941 4.541 1.00 0.00 O ATOM 1414 CB PHE A 97 -6.848 -3.999 4.717 1.00 0.00 C ATOM 1415 CG PHE A 97 -5.731 -3.010 4.894 1.00 0.00 C ATOM 1416 CD1 PHE A 97 -5.927 -1.847 5.621 1.00 0.00 C ATOM 1417 CD2 PHE A 97 -4.486 -3.244 4.334 1.00 0.00 C ATOM 1418 CE1 PHE A 97 -4.901 -0.935 5.787 1.00 0.00 C ATOM 1419 CE2 PHE A 97 -3.456 -2.336 4.496 1.00 0.00 C ATOM 1420 CZ PHE A 97 -3.664 -1.180 5.222 1.00 0.00 C ATOM 0 H PHE A 97 -8.424 -2.079 5.101 1.00 0.00 H new ATOM 0 HA PHE A 97 -7.429 -3.422 2.729 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -7.330 -4.167 5.680 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -6.430 -4.954 4.399 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -6.892 -1.650 6.063 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -4.318 -4.146 3.764 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -5.066 -0.033 6.357 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -2.490 -2.531 4.055 1.00 0.00 H new ATOM 0 HZ PHE A 97 -2.861 -0.469 5.348 1.00 0.00 H new ATOM 1430 N PHE A 98 -9.126 -5.169 2.371 1.00 0.00 N ATOM 1431 CA PHE A 98 -10.124 -6.201 2.114 1.00 0.00 C ATOM 1432 C PHE A 98 -9.458 -7.523 1.746 1.00 0.00 C ATOM 1433 O PHE A 98 -8.497 -7.555 0.976 1.00 0.00 O ATOM 1434 CB PHE A 98 -11.065 -5.761 0.991 1.00 0.00 C ATOM 1435 CG PHE A 98 -11.910 -4.572 1.347 1.00 0.00 C ATOM 1436 CD1 PHE A 98 -12.983 -4.703 2.215 1.00 0.00 C ATOM 1437 CD2 PHE A 98 -11.632 -3.323 0.815 1.00 0.00 C ATOM 1438 CE1 PHE A 98 -13.762 -3.610 2.545 1.00 0.00 C ATOM 1439 CE2 PHE A 98 -12.408 -2.227 1.143 1.00 0.00 C ATOM 1440 CZ PHE A 98 -13.475 -2.371 2.008 1.00 0.00 C ATOM 0 H PHE A 98 -8.563 -4.916 1.559 1.00 0.00 H new ATOM 0 HA PHE A 98 -10.702 -6.348 3.027 1.00 0.00 H new ATOM 0 HB2 PHE A 98 -10.475 -5.525 0.105 1.00 0.00 H new ATOM 0 HB3 PHE A 98 -11.717 -6.594 0.727 1.00 0.00 H new ATOM 0 HD1 PHE A 98 -13.213 -5.670 2.638 1.00 0.00 H new ATOM 0 HD2 PHE A 98 -10.800 -3.205 0.137 1.00 0.00 H new ATOM 0 HE1 PHE A 98 -14.595 -3.725 3.223 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -12.180 -1.258 0.723 1.00 0.00 H new ATOM 0 HZ PHE A 98 -14.084 -1.516 2.264 1.00 0.00 H new ATOM 1450 N LYS A 99 -9.974 -8.614 2.302 1.00 0.00 N ATOM 1451 CA LYS A 99 -9.431 -9.940 2.034 1.00 0.00 C ATOM 1452 C LYS A 99 -10.522 -10.884 1.537 1.00 0.00 C ATOM 1453 O LYS A 99 -11.226 -11.506 2.331 1.00 0.00 O ATOM 1454 CB LYS A 99 -8.782 -10.513 3.295 1.00 0.00 C ATOM 1455 CG LYS A 99 -7.602 -11.427 3.011 1.00 0.00 C ATOM 1456 CD LYS A 99 -6.293 -10.657 2.987 1.00 0.00 C ATOM 1457 CE LYS A 99 -5.292 -11.290 2.033 1.00 0.00 C ATOM 1458 NZ LYS A 99 -4.758 -12.576 2.562 1.00 0.00 N ATOM 0 H LYS A 99 -10.768 -8.606 2.942 1.00 0.00 H new ATOM 0 HA LYS A 99 -8.674 -9.845 1.255 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -8.449 -9.690 3.928 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -9.532 -11.067 3.860 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -7.553 -12.206 3.772 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -7.749 -11.926 2.053 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -6.481 -9.626 2.687 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -5.870 -10.625 3.991 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -5.769 -11.464 1.069 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -4.468 -10.598 1.860 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -4.079 -12.976 1.883 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -4.280 -12.406 3.470 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -5.541 -13.245 2.703 1.00 0.00 H new ATOM 1472 N ASN A 100 -10.654 -10.986 0.219 1.00 0.00 N ATOM 1473 CA ASN A 100 -11.659 -11.855 -0.383 1.00 0.00 C ATOM 1474 C ASN A 100 -13.062 -11.294 -0.171 1.00 0.00 C ATOM 1475 O ASN A 100 -13.967 -12.006 0.264 1.00 0.00 O ATOM 1476 CB ASN A 100 -11.566 -13.263 0.208 1.00 0.00 C ATOM 1477 CG ASN A 100 -12.097 -14.324 -0.737 1.00 0.00 C ATOM 1478 OD1 ASN A 100 -12.938 -14.044 -1.591 1.00 0.00 O ATOM 1479 ND2 ASN A 100 -11.607 -15.549 -0.587 1.00 0.00 N ATOM 0 H ASN A 100 -10.078 -10.478 -0.453 1.00 0.00 H new ATOM 0 HA ASN A 100 -11.465 -11.904 -1.454 1.00 0.00 H new ATOM 0 HB2 ASN A 100 -10.527 -13.484 0.451 1.00 0.00 H new ATOM 0 HB3 ASN A 100 -12.126 -13.299 1.142 1.00 0.00 H new ATOM 0 HD21 ASN A 100 -11.927 -16.304 -1.194 1.00 0.00 H new ATOM 0 HD22 ASN A 100 -10.911 -15.735 0.135 1.00 0.00 H new ATOM 1486 N SER A 101 -13.234 -10.013 -0.482 1.00 0.00 N ATOM 1487 CA SER A 101 -14.525 -9.355 -0.322 1.00 0.00 C ATOM 1488 C SER A 101 -14.949 -9.338 1.144 1.00 0.00 C ATOM 1489 O SER A 101 -16.130 -9.476 1.461 1.00 0.00 O ATOM 1490 CB SER A 101 -15.590 -10.062 -1.164 1.00 0.00 C ATOM 1491 OG SER A 101 -15.434 -9.762 -2.540 1.00 0.00 O ATOM 0 H SER A 101 -12.496 -9.411 -0.846 1.00 0.00 H new ATOM 0 HA SER A 101 -14.425 -8.325 -0.665 1.00 0.00 H new ATOM 0 HB2 SER A 101 -15.521 -11.139 -1.013 1.00 0.00 H new ATOM 0 HB3 SER A 101 -16.582 -9.757 -0.832 1.00 0.00 H new ATOM 0 HG SER A 101 -14.480 -9.700 -2.755 1.00 0.00 H new ATOM 1497 N GLN A 102 -13.975 -9.167 2.032 1.00 0.00 N ATOM 1498 CA GLN A 102 -14.246 -9.133 3.464 1.00 0.00 C ATOM 1499 C GLN A 102 -13.224 -8.265 4.191 1.00 0.00 C ATOM 1500 O GLN A 102 -12.044 -8.607 4.265 1.00 0.00 O ATOM 1501 CB GLN A 102 -14.232 -10.549 4.042 1.00 0.00 C ATOM 1502 CG GLN A 102 -15.413 -11.398 3.598 1.00 0.00 C ATOM 1503 CD GLN A 102 -15.232 -12.867 3.929 1.00 0.00 C ATOM 1504 OE1 GLN A 102 -14.139 -13.416 3.789 1.00 0.00 O ATOM 1505 NE2 GLN A 102 -16.306 -13.511 4.370 1.00 0.00 N ATOM 0 H GLN A 102 -12.992 -9.050 1.785 1.00 0.00 H new ATOM 0 HA GLN A 102 -15.235 -8.699 3.610 1.00 0.00 H new ATOM 0 HB2 GLN A 102 -13.307 -11.044 3.746 1.00 0.00 H new ATOM 0 HB3 GLN A 102 -14.227 -10.488 5.130 1.00 0.00 H new ATOM 0 HG2 GLN A 102 -16.320 -11.030 4.077 1.00 0.00 H new ATOM 0 HG3 GLN A 102 -15.552 -11.286 2.523 1.00 0.00 H new ATOM 0 HE21 GLN A 102 -17.192 -13.016 4.471 1.00 0.00 H new ATOM 0 HE22 GLN A 102 -16.245 -14.501 4.608 1.00 0.00 H new ATOM 1514 N LYS A 103 -13.685 -7.139 4.726 1.00 0.00 N ATOM 1515 CA LYS A 103 -12.812 -6.221 5.448 1.00 0.00 C ATOM 1516 C LYS A 103 -12.155 -6.916 6.637 1.00 0.00 C ATOM 1517 O LYS A 103 -12.834 -7.342 7.571 1.00 0.00 O ATOM 1518 CB LYS A 103 -13.604 -5.004 5.930 1.00 0.00 C ATOM 1519 CG LYS A 103 -12.729 -3.866 6.426 1.00 0.00 C ATOM 1520 CD LYS A 103 -13.557 -2.647 6.797 1.00 0.00 C ATOM 1521 CE LYS A 103 -14.247 -2.829 8.140 1.00 0.00 C ATOM 1522 NZ LYS A 103 -14.851 -1.559 8.630 1.00 0.00 N ATOM 0 H LYS A 103 -14.659 -6.840 4.673 1.00 0.00 H new ATOM 0 HA LYS A 103 -12.030 -5.891 4.765 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -14.229 -4.641 5.114 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -14.274 -5.312 6.732 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -12.158 -4.197 7.293 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -12.009 -3.596 5.654 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -12.915 -1.767 6.833 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -14.304 -2.465 6.025 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -15.023 -3.589 8.049 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -13.527 -3.195 8.872 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -15.311 -1.725 9.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -14.107 -0.841 8.741 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -15.557 -1.223 7.944 1.00 0.00 H new ATOM 1536 N ILE A 104 -10.832 -7.026 6.595 1.00 0.00 N ATOM 1537 CA ILE A 104 -10.084 -7.667 7.669 1.00 0.00 C ATOM 1538 C ILE A 104 -9.352 -6.635 8.521 1.00 0.00 C ATOM 1539 O ILE A 104 -9.204 -6.806 9.731 1.00 0.00 O ATOM 1540 CB ILE A 104 -9.063 -8.680 7.119 1.00 0.00 C ATOM 1541 CG1 ILE A 104 -8.141 -8.005 6.101 1.00 0.00 C ATOM 1542 CG2 ILE A 104 -9.779 -9.865 6.490 1.00 0.00 C ATOM 1543 CD1 ILE A 104 -6.832 -8.734 5.896 1.00 0.00 C ATOM 0 H ILE A 104 -10.256 -6.679 5.828 1.00 0.00 H new ATOM 0 HA ILE A 104 -10.810 -8.196 8.287 1.00 0.00 H new ATOM 0 HB ILE A 104 -8.454 -9.046 7.946 1.00 0.00 H new ATOM 0 HG12 ILE A 104 -8.660 -7.931 5.145 1.00 0.00 H new ATOM 0 HG13 ILE A 104 -7.933 -6.987 6.430 1.00 0.00 H new ATOM 0 HG21 ILE A 104 -9.044 -10.572 6.106 1.00 0.00 H new ATOM 0 HG22 ILE A 104 -10.398 -10.357 7.241 1.00 0.00 H new ATOM 0 HG23 ILE A 104 -10.409 -9.517 5.672 1.00 0.00 H new ATOM 0 HD11 ILE A 104 -6.229 -8.200 5.162 1.00 0.00 H new ATOM 0 HD12 ILE A 104 -6.292 -8.785 6.841 1.00 0.00 H new ATOM 0 HD13 ILE A 104 -7.030 -9.744 5.537 1.00 0.00 H new ATOM 1555 N ASP A 105 -8.896 -5.564 7.881 1.00 0.00 N ATOM 1556 CA ASP A 105 -8.182 -4.502 8.579 1.00 0.00 C ATOM 1557 C ASP A 105 -8.567 -3.133 8.027 1.00 0.00 C ATOM 1558 O ASP A 105 -9.264 -3.034 7.017 1.00 0.00 O ATOM 1559 CB ASP A 105 -6.671 -4.709 8.457 1.00 0.00 C ATOM 1560 CG ASP A 105 -5.884 -3.765 9.345 1.00 0.00 C ATOM 1561 OD1 ASP A 105 -5.760 -4.053 10.553 1.00 0.00 O ATOM 1562 OD2 ASP A 105 -5.392 -2.738 8.831 1.00 0.00 O ATOM 0 H ASP A 105 -9.008 -5.408 6.879 1.00 0.00 H new ATOM 0 HA ASP A 105 -8.463 -4.540 9.632 1.00 0.00 H new ATOM 0 HB2 ASP A 105 -6.426 -5.738 8.719 1.00 0.00 H new ATOM 0 HB3 ASP A 105 -6.370 -4.563 7.420 1.00 0.00 H new ATOM 1567 N ARG A 106 -8.109 -2.081 8.697 1.00 0.00 N ATOM 1568 CA ARG A 106 -8.408 -0.718 8.275 1.00 0.00 C ATOM 1569 C ARG A 106 -7.455 0.277 8.932 1.00 0.00 C ATOM 1570 O ARG A 106 -6.993 0.061 10.054 1.00 0.00 O ATOM 1571 CB ARG A 106 -9.855 -0.359 8.621 1.00 0.00 C ATOM 1572 CG ARG A 106 -10.155 1.127 8.519 1.00 0.00 C ATOM 1573 CD ARG A 106 -11.440 1.487 9.247 1.00 0.00 C ATOM 1574 NE ARG A 106 -12.048 2.704 8.716 1.00 0.00 N ATOM 1575 CZ ARG A 106 -12.883 3.471 9.407 1.00 0.00 C ATOM 1576 NH1 ARG A 106 -13.207 3.150 10.652 1.00 0.00 N ATOM 1577 NH2 ARG A 106 -13.396 4.563 8.854 1.00 0.00 N ATOM 0 H ARG A 106 -7.530 -2.146 9.534 1.00 0.00 H new ATOM 0 HA ARG A 106 -8.276 -0.663 7.195 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -10.525 -0.903 7.955 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -10.072 -0.696 9.635 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -9.326 1.696 8.939 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -10.238 1.411 7.470 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -12.147 0.662 9.163 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -11.230 1.620 10.308 1.00 0.00 H new ATOM 0 HE ARG A 106 -11.818 2.980 7.761 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -12.815 2.312 11.081 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -13.849 3.741 11.181 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -13.149 4.814 7.897 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -14.037 5.151 9.386 1.00 0.00 H new ATOM 1591 N LEU A 107 -7.165 1.365 8.228 1.00 0.00 N ATOM 1592 CA LEU A 107 -6.267 2.392 8.742 1.00 0.00 C ATOM 1593 C LEU A 107 -6.853 3.784 8.529 1.00 0.00 C ATOM 1594 O LEU A 107 -7.144 4.180 7.400 1.00 0.00 O ATOM 1595 CB LEU A 107 -4.901 2.291 8.061 1.00 0.00 C ATOM 1596 CG LEU A 107 -3.712 2.829 8.858 1.00 0.00 C ATOM 1597 CD1 LEU A 107 -2.416 2.615 8.092 1.00 0.00 C ATOM 1598 CD2 LEU A 107 -3.908 4.304 9.179 1.00 0.00 C ATOM 0 H LEU A 107 -7.539 1.559 7.299 1.00 0.00 H new ATOM 0 HA LEU A 107 -6.145 2.230 9.813 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -4.711 1.244 7.826 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -4.950 2.827 7.113 1.00 0.00 H new ATOM 0 HG LEU A 107 -3.650 2.279 9.797 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -1.581 3.004 8.674 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -2.270 1.549 7.915 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -2.467 3.138 7.137 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -3.052 4.670 9.746 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -3.997 4.870 8.251 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -4.816 4.430 9.769 1.00 0.00 H new ATOM 1610 N ASP A 108 -7.020 4.524 9.620 1.00 0.00 N ATOM 1611 CA ASP A 108 -7.568 5.873 9.552 1.00 0.00 C ATOM 1612 C ASP A 108 -6.490 6.913 9.843 1.00 0.00 C ATOM 1613 O ASP A 108 -5.703 6.761 10.775 1.00 0.00 O ATOM 1614 CB ASP A 108 -8.724 6.028 10.542 1.00 0.00 C ATOM 1615 CG ASP A 108 -8.398 5.453 11.906 1.00 0.00 C ATOM 1616 OD1 ASP A 108 -7.207 5.452 12.281 1.00 0.00 O ATOM 1617 OD2 ASP A 108 -9.335 5.006 12.600 1.00 0.00 O ATOM 0 H ASP A 108 -6.784 4.212 10.562 1.00 0.00 H new ATOM 0 HA ASP A 108 -7.942 6.036 8.541 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -8.971 7.085 10.646 1.00 0.00 H new ATOM 0 HB3 ASP A 108 -9.609 5.532 10.144 1.00 0.00 H new ATOM 1622 N GLY A 109 -6.461 7.970 9.036 1.00 0.00 N ATOM 1623 CA GLY A 109 -5.475 9.018 9.223 1.00 0.00 C ATOM 1624 C GLY A 109 -4.337 8.927 8.226 1.00 0.00 C ATOM 1625 O GLY A 109 -4.173 7.911 7.552 1.00 0.00 O ATOM 0 H GLY A 109 -7.102 8.119 8.257 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -5.960 9.990 9.129 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -5.073 8.959 10.235 1.00 0.00 H new ATOM 1629 N ALA A 110 -3.549 9.993 8.132 1.00 0.00 N ATOM 1630 CA ALA A 110 -2.420 10.030 7.211 1.00 0.00 C ATOM 1631 C ALA A 110 -1.164 9.454 7.858 1.00 0.00 C ATOM 1632 O ALA A 110 -0.372 10.183 8.456 1.00 0.00 O ATOM 1633 CB ALA A 110 -2.168 11.455 6.740 1.00 0.00 C ATOM 0 H ALA A 110 -3.672 10.843 8.683 1.00 0.00 H new ATOM 0 HA ALA A 110 -2.668 9.413 6.347 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -1.322 11.467 6.053 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -3.055 11.832 6.230 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -1.947 12.088 7.599 1.00 0.00 H new ATOM 1639 N HIS A 111 -0.989 8.142 7.735 1.00 0.00 N ATOM 1640 CA HIS A 111 0.171 7.469 8.308 1.00 0.00 C ATOM 1641 C HIS A 111 1.044 6.864 7.213 1.00 0.00 C ATOM 1642 O HIS A 111 0.631 5.936 6.519 1.00 0.00 O ATOM 1643 CB HIS A 111 -0.276 6.378 9.282 1.00 0.00 C ATOM 1644 CG HIS A 111 -0.811 6.912 10.575 1.00 0.00 C ATOM 1645 ND1 HIS A 111 -2.043 6.820 11.128 1.00 0.00 N flip ATOM 1646 CD2 HIS A 111 -0.048 7.642 11.461 1.00 0.00 C flip ATOM 1647 CE1 HIS A 111 -2.002 7.488 12.327 1.00 0.00 C flip ATOM 1648 NE2 HIS A 111 -0.787 7.974 12.505 1.00 0.00 N flip ATOM 0 H HIS A 111 -1.635 7.524 7.244 1.00 0.00 H new ATOM 0 HA HIS A 111 0.760 8.210 8.849 1.00 0.00 H new ATOM 0 HB2 HIS A 111 -1.043 5.769 8.805 1.00 0.00 H new ATOM 0 HB3 HIS A 111 0.568 5.721 9.491 1.00 0.00 H new ATOM 0 HD2 HIS A 111 0.991 7.902 11.323 1.00 0.00 H new ATOM 0 HE1 HIS A 111 -2.829 7.598 13.013 1.00 0.00 H new ATOM 0 HE2 HIS A 111 -0.472 8.514 13.311 1.00 0.00 H new ATOM 1657 N ALA A 112 2.253 7.396 7.065 1.00 0.00 N ATOM 1658 CA ALA A 112 3.184 6.908 6.055 1.00 0.00 C ATOM 1659 C ALA A 112 3.691 5.513 6.405 1.00 0.00 C ATOM 1660 O ALA A 112 3.540 4.561 5.640 1.00 0.00 O ATOM 1661 CB ALA A 112 4.351 7.873 5.903 1.00 0.00 C ATOM 0 H ALA A 112 2.611 8.165 7.632 1.00 0.00 H new ATOM 0 HA ALA A 112 2.652 6.846 5.106 1.00 0.00 H new ATOM 0 HB1 ALA A 112 5.038 7.496 5.146 1.00 0.00 H new ATOM 0 HB2 ALA A 112 3.977 8.851 5.600 1.00 0.00 H new ATOM 0 HB3 ALA A 112 4.874 7.964 6.855 1.00 0.00 H new ATOM 1667 N PRO A 113 4.309 5.387 7.590 1.00 0.00 N ATOM 1668 CA PRO A 113 4.851 4.112 8.068 1.00 0.00 C ATOM 1669 C PRO A 113 3.755 3.112 8.422 1.00 0.00 C ATOM 1670 O PRO A 113 3.776 1.968 7.970 1.00 0.00 O ATOM 1671 CB PRO A 113 5.639 4.508 9.319 1.00 0.00 C ATOM 1672 CG PRO A 113 4.993 5.765 9.790 1.00 0.00 C ATOM 1673 CD PRO A 113 4.525 6.479 8.553 1.00 0.00 C ATOM 0 HA PRO A 113 5.454 3.615 7.308 1.00 0.00 H new ATOM 0 HB2 PRO A 113 5.592 3.729 10.080 1.00 0.00 H new ATOM 0 HB3 PRO A 113 6.693 4.666 9.090 1.00 0.00 H new ATOM 0 HG2 PRO A 113 4.157 5.549 10.455 1.00 0.00 H new ATOM 0 HG3 PRO A 113 5.697 6.379 10.352 1.00 0.00 H new ATOM 0 HD2 PRO A 113 3.609 7.041 8.736 1.00 0.00 H new ATOM 0 HD3 PRO A 113 5.269 7.190 8.194 1.00 0.00 H new ATOM 1681 N GLU A 114 2.799 3.553 9.234 1.00 0.00 N ATOM 1682 CA GLU A 114 1.695 2.695 9.649 1.00 0.00 C ATOM 1683 C GLU A 114 1.071 1.992 8.447 1.00 0.00 C ATOM 1684 O GLU A 114 0.816 0.787 8.481 1.00 0.00 O ATOM 1685 CB GLU A 114 0.631 3.515 10.383 1.00 0.00 C ATOM 1686 CG GLU A 114 -0.108 2.732 11.455 1.00 0.00 C ATOM 1687 CD GLU A 114 0.706 2.570 12.724 1.00 0.00 C ATOM 1688 OE1 GLU A 114 1.911 2.258 12.621 1.00 0.00 O ATOM 1689 OE2 GLU A 114 0.138 2.756 13.820 1.00 0.00 O ATOM 0 H GLU A 114 2.767 4.498 9.617 1.00 0.00 H new ATOM 0 HA GLU A 114 2.091 1.938 10.326 1.00 0.00 H new ATOM 0 HB2 GLU A 114 1.105 4.383 10.841 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -0.090 3.891 9.658 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -1.044 3.239 11.690 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -0.368 1.747 11.066 1.00 0.00 H new ATOM 1696 N LEU A 115 0.826 2.753 7.385 1.00 0.00 N ATOM 1697 CA LEU A 115 0.231 2.204 6.172 1.00 0.00 C ATOM 1698 C LEU A 115 1.038 1.015 5.659 1.00 0.00 C ATOM 1699 O LEU A 115 0.502 -0.077 5.467 1.00 0.00 O ATOM 1700 CB LEU A 115 0.147 3.281 5.089 1.00 0.00 C ATOM 1701 CG LEU A 115 -0.586 2.888 3.806 1.00 0.00 C ATOM 1702 CD1 LEU A 115 -2.071 2.703 4.075 1.00 0.00 C ATOM 1703 CD2 LEU A 115 -0.364 3.933 2.723 1.00 0.00 C ATOM 0 H LEU A 115 1.030 3.751 7.340 1.00 0.00 H new ATOM 0 HA LEU A 115 -0.775 1.860 6.414 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -0.347 4.156 5.512 1.00 0.00 H new ATOM 0 HB3 LEU A 115 1.161 3.583 4.826 1.00 0.00 H new ATOM 0 HG LEU A 115 -0.181 1.939 3.455 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -2.576 2.424 3.150 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -2.211 1.917 4.817 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -2.492 3.636 4.451 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -0.893 3.636 1.817 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -0.741 4.897 3.065 1.00 0.00 H new ATOM 0 HD23 LEU A 115 0.702 4.016 2.510 1.00 0.00 H new ATOM 1715 N THR A 116 2.331 1.233 5.442 1.00 0.00 N ATOM 1716 CA THR A 116 3.213 0.180 4.953 1.00 0.00 C ATOM 1717 C THR A 116 3.213 -1.018 5.896 1.00 0.00 C ATOM 1718 O THR A 116 3.037 -2.159 5.467 1.00 0.00 O ATOM 1719 CB THR A 116 4.657 0.689 4.788 1.00 0.00 C ATOM 1720 OG1 THR A 116 4.680 1.824 3.916 1.00 0.00 O ATOM 1721 CG2 THR A 116 5.555 -0.405 4.228 1.00 0.00 C ATOM 0 H THR A 116 2.791 2.130 5.597 1.00 0.00 H new ATOM 0 HA THR A 116 2.830 -0.127 3.980 1.00 0.00 H new ATOM 0 HB THR A 116 5.031 0.978 5.770 1.00 0.00 H new ATOM 0 HG1 THR A 116 5.602 2.142 3.818 1.00 0.00 H new ATOM 0 HG21 THR A 116 6.570 -0.023 4.120 1.00 0.00 H new ATOM 0 HG22 THR A 116 5.558 -1.257 4.908 1.00 0.00 H new ATOM 0 HG23 THR A 116 5.180 -0.720 3.254 1.00 0.00 H new ATOM 1729 N LYS A 117 3.411 -0.753 7.183 1.00 0.00 N ATOM 1730 CA LYS A 117 3.432 -1.809 8.188 1.00 0.00 C ATOM 1731 C LYS A 117 2.229 -2.733 8.030 1.00 0.00 C ATOM 1732 O LYS A 117 2.379 -3.950 7.914 1.00 0.00 O ATOM 1733 CB LYS A 117 3.443 -1.204 9.593 1.00 0.00 C ATOM 1734 CG LYS A 117 4.736 -0.483 9.935 1.00 0.00 C ATOM 1735 CD LYS A 117 4.556 0.452 11.119 1.00 0.00 C ATOM 1736 CE LYS A 117 4.839 -0.255 12.436 1.00 0.00 C ATOM 1737 NZ LYS A 117 6.290 -0.541 12.612 1.00 0.00 N ATOM 0 H LYS A 117 3.559 0.185 7.555 1.00 0.00 H new ATOM 0 HA LYS A 117 4.340 -2.395 8.045 1.00 0.00 H new ATOM 0 HB2 LYS A 117 2.612 -0.505 9.685 1.00 0.00 H new ATOM 0 HB3 LYS A 117 3.275 -1.997 10.322 1.00 0.00 H new ATOM 0 HG2 LYS A 117 5.512 -1.214 10.162 1.00 0.00 H new ATOM 0 HG3 LYS A 117 5.077 0.086 9.070 1.00 0.00 H new ATOM 0 HD2 LYS A 117 5.223 1.307 11.013 1.00 0.00 H new ATOM 0 HD3 LYS A 117 3.538 0.841 11.125 1.00 0.00 H new ATOM 0 HE2 LYS A 117 4.488 0.363 13.262 1.00 0.00 H new ATOM 0 HE3 LYS A 117 4.278 -1.188 12.475 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 6.493 -0.701 13.619 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 6.545 -1.390 12.068 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 6.847 0.268 12.271 1.00 0.00 H new ATOM 1751 N LYS A 118 1.035 -2.149 8.027 1.00 0.00 N ATOM 1752 CA LYS A 118 -0.194 -2.919 7.881 1.00 0.00 C ATOM 1753 C LYS A 118 -0.225 -3.646 6.540 1.00 0.00 C ATOM 1754 O LYS A 118 -0.523 -4.839 6.476 1.00 0.00 O ATOM 1755 CB LYS A 118 -1.413 -2.002 8.004 1.00 0.00 C ATOM 1756 CG LYS A 118 -1.761 -1.642 9.438 1.00 0.00 C ATOM 1757 CD LYS A 118 -2.804 -0.539 9.498 1.00 0.00 C ATOM 1758 CE LYS A 118 -3.509 -0.512 10.846 1.00 0.00 C ATOM 1759 NZ LYS A 118 -4.559 -1.564 10.943 1.00 0.00 N ATOM 0 H LYS A 118 0.893 -1.144 8.124 1.00 0.00 H new ATOM 0 HA LYS A 118 -0.224 -3.662 8.678 1.00 0.00 H new ATOM 0 HB2 LYS A 118 -1.226 -1.086 7.443 1.00 0.00 H new ATOM 0 HB3 LYS A 118 -2.272 -2.489 7.542 1.00 0.00 H new ATOM 0 HG2 LYS A 118 -2.134 -2.526 9.956 1.00 0.00 H new ATOM 0 HG3 LYS A 118 -0.861 -1.322 9.963 1.00 0.00 H new ATOM 0 HD2 LYS A 118 -2.327 0.424 9.316 1.00 0.00 H new ATOM 0 HD3 LYS A 118 -3.537 -0.687 8.705 1.00 0.00 H new ATOM 0 HE2 LYS A 118 -2.778 -0.654 11.641 1.00 0.00 H new ATOM 0 HE3 LYS A 118 -3.961 0.468 11.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 -5.191 -1.352 11.741 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 -5.111 -1.586 10.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 -4.110 -2.490 11.094 1.00 0.00 H new ATOM 1773 N VAL A 119 0.087 -2.920 5.471 1.00 0.00 N ATOM 1774 CA VAL A 119 0.097 -3.497 4.132 1.00 0.00 C ATOM 1775 C VAL A 119 0.945 -4.763 4.086 1.00 0.00 C ATOM 1776 O VAL A 119 0.478 -5.818 3.658 1.00 0.00 O ATOM 1777 CB VAL A 119 0.635 -2.494 3.094 1.00 0.00 C ATOM 1778 CG1 VAL A 119 0.598 -3.099 1.698 1.00 0.00 C ATOM 1779 CG2 VAL A 119 -0.161 -1.199 3.143 1.00 0.00 C ATOM 0 H VAL A 119 0.336 -1.932 5.506 1.00 0.00 H new ATOM 0 HA VAL A 119 -0.935 -3.746 3.886 1.00 0.00 H new ATOM 0 HB VAL A 119 1.673 -2.266 3.338 1.00 0.00 H new ATOM 0 HG11 VAL A 119 0.982 -2.376 0.978 1.00 0.00 H new ATOM 0 HG12 VAL A 119 1.215 -3.997 1.674 1.00 0.00 H new ATOM 0 HG13 VAL A 119 -0.429 -3.357 1.441 1.00 0.00 H new ATOM 0 HG21 VAL A 119 0.233 -0.502 2.403 1.00 0.00 H new ATOM 0 HG22 VAL A 119 -1.208 -1.407 2.924 1.00 0.00 H new ATOM 0 HG23 VAL A 119 -0.078 -0.759 4.137 1.00 0.00 H new ATOM 1789 N GLN A 120 2.193 -4.650 4.529 1.00 0.00 N ATOM 1790 CA GLN A 120 3.106 -5.787 4.538 1.00 0.00 C ATOM 1791 C GLN A 120 2.647 -6.846 5.534 1.00 0.00 C ATOM 1792 O GLN A 120 2.734 -8.044 5.265 1.00 0.00 O ATOM 1793 CB GLN A 120 4.524 -5.326 4.881 1.00 0.00 C ATOM 1794 CG GLN A 120 5.031 -4.203 3.991 1.00 0.00 C ATOM 1795 CD GLN A 120 6.543 -4.090 4.000 1.00 0.00 C ATOM 1796 OE1 GLN A 120 7.178 -4.546 2.926 1.00 0.00 O flip ATOM 1797 NE2 GLN A 120 7.135 -3.598 4.961 1.00 0.00 N flip ATOM 0 H GLN A 120 2.595 -3.783 4.886 1.00 0.00 H new ATOM 0 HA GLN A 120 3.106 -6.229 3.542 1.00 0.00 H new ATOM 0 HB2 GLN A 120 4.548 -4.995 5.919 1.00 0.00 H new ATOM 0 HB3 GLN A 120 5.202 -6.176 4.802 1.00 0.00 H new ATOM 0 HG2 GLN A 120 4.689 -4.371 2.970 1.00 0.00 H new ATOM 0 HG3 GLN A 120 4.598 -3.259 4.321 1.00 0.00 H new ATOM 0 HE21 GLN A 120 6.608 -3.260 5.766 1.00 0.00 H new ATOM 0 HE22 GLN A 120 8.153 -3.529 4.952 1.00 0.00 H new ATOM 1806 N ARG A 121 2.159 -6.396 6.685 1.00 0.00 N ATOM 1807 CA ARG A 121 1.688 -7.306 7.723 1.00 0.00 C ATOM 1808 C ARG A 121 0.737 -8.348 7.142 1.00 0.00 C ATOM 1809 O ARG A 121 1.005 -9.548 7.195 1.00 0.00 O ATOM 1810 CB ARG A 121 0.988 -6.525 8.836 1.00 0.00 C ATOM 1811 CG ARG A 121 0.364 -7.411 9.902 1.00 0.00 C ATOM 1812 CD ARG A 121 -0.811 -6.724 10.580 1.00 0.00 C ATOM 1813 NE ARG A 121 -1.034 -7.228 11.932 1.00 0.00 N ATOM 1814 CZ ARG A 121 -0.375 -6.788 12.998 1.00 0.00 C ATOM 1815 NH1 ARG A 121 0.543 -5.841 12.870 1.00 0.00 N ATOM 1816 NH2 ARG A 121 -0.634 -7.296 14.196 1.00 0.00 N ATOM 0 H ARG A 121 2.079 -5.407 6.923 1.00 0.00 H new ATOM 0 HA ARG A 121 2.553 -7.822 8.139 1.00 0.00 H new ATOM 0 HB2 ARG A 121 1.708 -5.856 9.307 1.00 0.00 H new ATOM 0 HB3 ARG A 121 0.212 -5.899 8.396 1.00 0.00 H new ATOM 0 HG2 ARG A 121 0.029 -8.345 9.450 1.00 0.00 H new ATOM 0 HG3 ARG A 121 1.116 -7.669 10.648 1.00 0.00 H new ATOM 0 HD2 ARG A 121 -0.630 -5.650 10.619 1.00 0.00 H new ATOM 0 HD3 ARG A 121 -1.711 -6.874 9.984 1.00 0.00 H new ATOM 0 HE ARG A 121 -1.734 -7.958 12.065 1.00 0.00 H new ATOM 0 HH11 ARG A 121 0.745 -5.448 11.951 1.00 0.00 H new ATOM 0 HH12 ARG A 121 1.047 -5.505 13.691 1.00 0.00 H new ATOM 0 HH21 ARG A 121 -1.340 -8.025 14.299 1.00 0.00 H new ATOM 0 HH22 ARG A 121 -0.127 -6.957 15.014 1.00 0.00 H new ATOM 1830 N HIS A 122 -0.377 -7.880 6.586 1.00 0.00 N ATOM 1831 CA HIS A 122 -1.369 -8.771 5.995 1.00 0.00 C ATOM 1832 C HIS A 122 -0.815 -9.446 4.743 1.00 0.00 C ATOM 1833 O HIS A 122 -0.875 -10.667 4.607 1.00 0.00 O ATOM 1834 CB HIS A 122 -2.640 -7.995 5.650 1.00 0.00 C ATOM 1835 CG HIS A 122 -3.178 -7.188 6.791 1.00 0.00 C ATOM 1836 ND1 HIS A 122 -3.821 -7.750 7.873 1.00 0.00 N ATOM 1837 CD2 HIS A 122 -3.163 -5.853 7.015 1.00 0.00 C ATOM 1838 CE1 HIS A 122 -4.180 -6.795 8.713 1.00 0.00 C ATOM 1839 NE2 HIS A 122 -3.792 -5.635 8.216 1.00 0.00 N ATOM 0 H HIS A 122 -0.615 -6.890 6.533 1.00 0.00 H new ATOM 0 HA HIS A 122 -1.610 -9.543 6.726 1.00 0.00 H new ATOM 0 HB2 HIS A 122 -2.433 -7.330 4.811 1.00 0.00 H new ATOM 0 HB3 HIS A 122 -3.406 -8.697 5.319 1.00 0.00 H new ATOM 0 HD1 HIS A 122 -3.993 -8.747 8.005 1.00 0.00 H new ATOM 0 HD2 HIS A 122 -2.736 -5.100 6.369 1.00 0.00 H new ATOM 0 HE1 HIS A 122 -4.702 -6.939 9.647 1.00 0.00 H new ATOM 1848 N ALA A 123 -0.277 -8.642 3.832 1.00 0.00 N ATOM 1849 CA ALA A 123 0.288 -9.162 2.593 1.00 0.00 C ATOM 1850 C ALA A 123 1.212 -10.344 2.865 1.00 0.00 C ATOM 1851 O ALA A 123 1.229 -11.317 2.111 1.00 0.00 O ATOM 1852 CB ALA A 123 1.037 -8.063 1.853 1.00 0.00 C ATOM 0 H ALA A 123 -0.221 -7.628 3.929 1.00 0.00 H new ATOM 0 HA ALA A 123 -0.532 -9.513 1.967 1.00 0.00 H new ATOM 0 HB1 ALA A 123 1.454 -8.465 0.930 1.00 0.00 H new ATOM 0 HB2 ALA A 123 0.350 -7.250 1.617 1.00 0.00 H new ATOM 0 HB3 ALA A 123 1.844 -7.686 2.481 1.00 0.00 H new