USER MOD reduce.3.24.130724 H: found=0, std=0, add=673, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 675 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 39 SER OG : rot -158:sc= 0.144 USER MOD Set 1.2: A 48 TYR OH : rot 0:sc= -0.323 USER MOD Set 2.1: A 44 SER OG : rot 170:sc= 0.0274 USER MOD Set 2.2: A 101 ASN : amide:sc= -0.79 K(o=-0.76,f=-13!) USER MOD Set 3.1: A 34 THR OG1 : rot -86:sc= 0.0739 USER MOD Set 3.2: A 83 THR OG1 : rot 180:sc= 0.0741 USER MOD Set 4.1: A 29 SER OG : rot -48:sc= -0.0464 USER MOD Set 4.2: A 30 HIS : no HD1:sc= -1.3! C(o=-1.3!,f=-3.7!) USER MOD Single : A 17 ASN : amide:sc= 0.282 K(o=0.28,f=-3.1!) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 26 CYS SG : rot -55:sc= -0.0313 USER MOD Single : A 27 THR OG1 : rot 180:sc= -0.285 USER MOD Single : A 32 THR OG1 : rot -33:sc= 0.114 USER MOD Single : A 36 HIS : no HE2:sc= -1.4 X(o=-1.4,f=-1.4) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= 0 K(o=0,f=-0.65) USER MOD Single : A 52 TYR OH : rot 112:sc= 1.17 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 MET CE :methyl -149:sc= -0.425 (180deg=-1.4!) USER MOD Single : A 76 ASN : amide:sc= 0 K(o=0,f=-0.97) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 GLN : amide:sc= -3.18! C(o=-3.2!,f=-2.8!) USER MOD Single : A 80 ASN : amide:sc= 0 K(o=0,f=-0.54) USER MOD Single : A 81 HIS : no HD1:sc= -0.278 X(o=-0.28,f=-0.089) USER MOD Single : A 82 TYR OH : rot 180:sc= -0.315 USER MOD Single : A 85 HIS : no HD1:sc= -0.436 X(o=-0.44,f=-0.083) USER MOD Single : A 88 GLN : amide:sc= -0.0484 X(o=-0.048,f=-0.47) USER MOD Single : A 89 SER OG : rot 3:sc= 0.183 USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 TYR OH : rot 0:sc= -0.388 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 105 SER OG : rot 170:sc= -0.56 USER MOD Single : A 107 ASN : amide:sc= -2.54 K(o=-2.5,f=-6.4!) USER MOD Single : A 108 SER OG : rot -83:sc= 0.368 USER MOD Single : A 111 THR OG1 : rot -140:sc= 0 USER MOD Single : A 114 LYS NZ :NH3+ -123:sc= 0 (180deg=-1.1) USER MOD Single : A 115 THR OG1 : rot -155:sc= 1.08 USER MOD Single : A 116 ASN : amide:sc= -0.681 X(o=-0.68,f=-0.54) USER MOD ----------------------------------------------------------------- ATOM 173 N ALA A 15 -4.537 -16.215 -6.226 1.00 0.00 N ATOM 174 CA ALA A 15 -4.474 -14.772 -6.026 1.00 0.00 C ATOM 175 C ALA A 15 -3.773 -14.430 -4.716 1.00 0.00 C ATOM 176 O ALA A 15 -3.929 -15.113 -3.703 1.00 0.00 O ATOM 177 CB ALA A 15 -5.872 -14.174 -6.051 1.00 0.00 C ATOM 0 HA ALA A 15 -3.893 -14.342 -6.842 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -5.809 -13.096 -5.900 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -6.338 -14.379 -7.015 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -6.472 -14.617 -5.256 1.00 0.00 H new ATOM 183 N PRO A 16 -2.981 -13.347 -4.732 1.00 0.00 N ATOM 184 CA PRO A 16 -2.240 -12.890 -3.553 1.00 0.00 C ATOM 185 C PRO A 16 -3.158 -12.323 -2.476 1.00 0.00 C ATOM 186 O PRO A 16 -3.985 -11.453 -2.747 1.00 0.00 O ATOM 187 CB PRO A 16 -1.329 -11.794 -4.110 1.00 0.00 C ATOM 188 CG PRO A 16 -2.033 -11.297 -5.326 1.00 0.00 C ATOM 189 CD PRO A 16 -2.749 -12.486 -5.904 1.00 0.00 C ATOM 0 HA PRO A 16 -1.702 -13.705 -3.068 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -1.182 -10.995 -3.384 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -0.343 -12.187 -4.356 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -2.736 -10.503 -5.073 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -1.326 -10.880 -6.043 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -3.685 -12.198 -6.383 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -2.146 -12.990 -6.660 1.00 0.00 H new ATOM 197 N ASN A 17 -3.006 -12.821 -1.253 1.00 0.00 N ATOM 198 CA ASN A 17 -3.823 -12.364 -0.134 1.00 0.00 C ATOM 199 C ASN A 17 -3.808 -10.841 -0.037 1.00 0.00 C ATOM 200 O ASN A 17 -2.770 -10.195 -0.179 1.00 0.00 O ATOM 201 CB ASN A 17 -3.319 -12.974 1.175 1.00 0.00 C ATOM 202 CG ASN A 17 -1.811 -12.885 1.312 1.00 0.00 C ATOM 203 OD1 ASN A 17 -1.070 -13.515 0.557 1.00 0.00 O ATOM 204 ND2 ASN A 17 -1.350 -12.100 2.279 1.00 0.00 N ATOM 0 H ASN A 17 -2.325 -13.541 -1.012 1.00 0.00 H new ATOM 0 HA ASN A 17 -4.848 -12.690 -0.308 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -3.788 -12.462 2.015 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -3.625 -14.019 1.227 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -0.345 -12.001 2.419 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -2.001 -11.597 2.881 1.00 0.00 H new ATOM 211 N PRO A 18 -4.988 -10.253 0.211 1.00 0.00 N ATOM 212 CA PRO A 18 -5.137 -8.800 0.334 1.00 0.00 C ATOM 213 C PRO A 18 -4.488 -8.255 1.602 1.00 0.00 C ATOM 214 O PRO A 18 -4.728 -8.740 2.708 1.00 0.00 O ATOM 215 CB PRO A 18 -6.654 -8.602 0.382 1.00 0.00 C ATOM 216 CG PRO A 18 -7.187 -9.890 0.907 1.00 0.00 C ATOM 217 CD PRO A 18 -6.266 -10.961 0.391 1.00 0.00 C ATOM 0 HA PRO A 18 -4.650 -8.270 -0.484 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -6.924 -7.768 1.030 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -7.056 -8.381 -0.607 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -7.210 -9.887 1.997 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -8.209 -10.057 0.567 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -6.173 -11.786 1.098 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -6.627 -11.384 -0.547 1.00 0.00 H new ATOM 225 N PRO A 19 -3.646 -7.224 1.440 1.00 0.00 N ATOM 226 CA PRO A 19 -2.946 -6.590 2.562 1.00 0.00 C ATOM 227 C PRO A 19 -3.890 -5.805 3.466 1.00 0.00 C ATOM 228 O PRO A 19 -5.042 -5.557 3.110 1.00 0.00 O ATOM 229 CB PRO A 19 -1.956 -5.647 1.875 1.00 0.00 C ATOM 230 CG PRO A 19 -2.572 -5.350 0.551 1.00 0.00 C ATOM 231 CD PRO A 19 -3.313 -6.596 0.151 1.00 0.00 C ATOM 0 HA PRO A 19 -2.474 -7.324 3.215 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -1.808 -4.737 2.456 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -0.978 -6.115 1.761 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -3.248 -4.498 0.618 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -1.810 -5.095 -0.186 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -4.208 -6.363 -0.426 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -2.697 -7.249 -0.467 1.00 0.00 H new ATOM 239 N SER A 20 -3.395 -5.417 4.637 1.00 0.00 N ATOM 240 CA SER A 20 -4.196 -4.662 5.593 1.00 0.00 C ATOM 241 C SER A 20 -3.492 -3.369 5.991 1.00 0.00 C ATOM 242 O SER A 20 -2.505 -3.389 6.727 1.00 0.00 O ATOM 243 CB SER A 20 -4.475 -5.509 6.837 1.00 0.00 C ATOM 244 OG SER A 20 -5.681 -6.240 6.697 1.00 0.00 O ATOM 0 H SER A 20 -2.443 -5.613 4.946 1.00 0.00 H new ATOM 0 HA SER A 20 -5.142 -4.407 5.116 1.00 0.00 H new ATOM 0 HB2 SER A 20 -3.647 -6.197 7.005 1.00 0.00 H new ATOM 0 HB3 SER A 20 -4.537 -4.864 7.713 1.00 0.00 H new ATOM 0 HG SER A 20 -5.835 -6.774 7.504 1.00 0.00 H new ATOM 250 N ILE A 21 -4.006 -2.247 5.499 1.00 0.00 N ATOM 251 CA ILE A 21 -3.428 -0.944 5.804 1.00 0.00 C ATOM 252 C ILE A 21 -3.709 -0.542 7.248 1.00 0.00 C ATOM 253 O ILE A 21 -4.865 -0.420 7.655 1.00 0.00 O ATOM 254 CB ILE A 21 -3.972 0.147 4.864 1.00 0.00 C ATOM 255 CG1 ILE A 21 -3.670 -0.208 3.406 1.00 0.00 C ATOM 256 CG2 ILE A 21 -3.373 1.500 5.220 1.00 0.00 C ATOM 257 CD1 ILE A 21 -4.442 0.626 2.408 1.00 0.00 C ATOM 0 H ILE A 21 -4.822 -2.214 4.887 1.00 0.00 H new ATOM 0 HA ILE A 21 -2.352 -1.034 5.658 1.00 0.00 H new ATOM 0 HB ILE A 21 -5.053 0.206 4.988 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -2.603 -0.082 3.224 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -3.900 -1.261 3.242 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -3.767 2.261 4.547 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -3.634 1.754 6.247 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -2.288 1.455 5.121 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -4.178 0.319 1.396 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -5.511 0.482 2.563 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -4.194 1.679 2.545 1.00 0.00 H new ATOM 269 N ARG A 22 -2.646 -0.336 8.017 1.00 0.00 N ATOM 270 CA ARG A 22 -2.778 0.054 9.416 1.00 0.00 C ATOM 271 C ARG A 22 -2.741 1.572 9.563 1.00 0.00 C ATOM 272 O ARG A 22 -1.775 2.220 9.161 1.00 0.00 O ATOM 273 CB ARG A 22 -1.663 -0.578 10.251 1.00 0.00 C ATOM 274 CG ARG A 22 -1.614 -2.094 10.155 1.00 0.00 C ATOM 275 CD ARG A 22 -2.704 -2.741 10.994 1.00 0.00 C ATOM 276 NE ARG A 22 -2.288 -2.930 12.381 1.00 0.00 N ATOM 277 CZ ARG A 22 -3.037 -3.532 13.298 1.00 0.00 C ATOM 278 NH1 ARG A 22 -4.234 -4.002 12.976 1.00 0.00 N ATOM 279 NH2 ARG A 22 -2.588 -3.666 14.540 1.00 0.00 N ATOM 0 H ARG A 22 -1.683 -0.433 7.695 1.00 0.00 H new ATOM 0 HA ARG A 22 -3.741 -0.305 9.778 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -0.704 -0.171 9.929 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -1.796 -0.293 11.295 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -1.726 -2.397 9.114 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -0.639 -2.449 10.487 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -3.600 -2.120 10.966 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -2.970 -3.705 10.561 1.00 0.00 H new ATOM 0 HE ARG A 22 -1.372 -2.580 12.661 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -4.582 -3.902 12.022 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -4.807 -4.464 13.682 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -1.667 -3.306 14.791 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -3.164 -4.128 15.243 1.00 0.00 H new ATOM 293 N GLU A 23 -3.799 2.132 10.142 1.00 0.00 N ATOM 294 CA GLU A 23 -3.887 3.573 10.340 1.00 0.00 C ATOM 295 C GLU A 23 -3.157 3.993 11.613 1.00 0.00 C ATOM 296 O GLU A 23 -2.579 5.077 11.680 1.00 0.00 O ATOM 297 CB GLU A 23 -5.351 4.013 10.410 1.00 0.00 C ATOM 298 CG GLU A 23 -6.085 3.899 9.084 1.00 0.00 C ATOM 299 CD GLU A 23 -7.543 4.299 9.188 1.00 0.00 C ATOM 300 OE1 GLU A 23 -8.258 3.725 10.036 1.00 0.00 O ATOM 301 OE2 GLU A 23 -7.970 5.189 8.422 1.00 0.00 O ATOM 0 H GLU A 23 -4.606 1.609 10.482 1.00 0.00 H new ATOM 0 HA GLU A 23 -3.409 4.060 9.490 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -5.868 3.408 11.155 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -5.395 5.047 10.752 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -5.591 4.529 8.344 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -6.019 2.873 8.723 1.00 0.00 H new ATOM 308 N GLU A 24 -3.190 3.126 12.620 1.00 0.00 N ATOM 309 CA GLU A 24 -2.534 3.407 13.891 1.00 0.00 C ATOM 310 C GLU A 24 -1.017 3.425 13.728 1.00 0.00 C ATOM 311 O GLU A 24 -0.305 4.065 14.502 1.00 0.00 O ATOM 312 CB GLU A 24 -2.932 2.365 14.938 1.00 0.00 C ATOM 313 CG GLU A 24 -2.533 0.946 14.568 1.00 0.00 C ATOM 314 CD GLU A 24 -3.330 -0.100 15.323 1.00 0.00 C ATOM 315 OE1 GLU A 24 -4.521 -0.286 15.001 1.00 0.00 O ATOM 316 OE2 GLU A 24 -2.760 -0.733 16.237 1.00 0.00 O ATOM 0 H GLU A 24 -3.664 2.224 12.580 1.00 0.00 H new ATOM 0 HA GLU A 24 -2.858 4.392 14.227 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -2.472 2.626 15.891 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -4.011 2.403 15.084 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -2.673 0.801 13.497 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -1.472 0.806 14.772 1.00 0.00 H new ATOM 323 N LEU A 25 -0.528 2.717 12.715 1.00 0.00 N ATOM 324 CA LEU A 25 0.904 2.651 12.449 1.00 0.00 C ATOM 325 C LEU A 25 1.316 3.699 11.420 1.00 0.00 C ATOM 326 O LEU A 25 2.460 4.156 11.409 1.00 0.00 O ATOM 327 CB LEU A 25 1.286 1.255 11.952 1.00 0.00 C ATOM 328 CG LEU A 25 0.853 0.086 12.838 1.00 0.00 C ATOM 329 CD1 LEU A 25 1.267 -1.238 12.214 1.00 0.00 C ATOM 330 CD2 LEU A 25 1.443 0.227 14.234 1.00 0.00 C ATOM 0 H LEU A 25 -1.103 2.181 12.065 1.00 0.00 H new ATOM 0 HA LEU A 25 1.431 2.856 13.381 1.00 0.00 H new ATOM 0 HB2 LEU A 25 0.855 1.113 10.961 1.00 0.00 H new ATOM 0 HB3 LEU A 25 2.369 1.216 11.837 1.00 0.00 H new ATOM 0 HG LEU A 25 -0.234 0.101 12.921 1.00 0.00 H new ATOM 0 HD11 LEU A 25 0.951 -2.058 12.858 1.00 0.00 H new ATOM 0 HD12 LEU A 25 0.797 -1.342 11.236 1.00 0.00 H new ATOM 0 HD13 LEU A 25 2.351 -1.263 12.100 1.00 0.00 H new ATOM 0 HD21 LEU A 25 1.124 -0.614 14.850 1.00 0.00 H new ATOM 0 HD22 LEU A 25 2.531 0.238 14.170 1.00 0.00 H new ATOM 0 HD23 LEU A 25 1.097 1.158 14.683 1.00 0.00 H new ATOM 342 N CYS A 26 0.378 4.076 10.559 1.00 0.00 N ATOM 343 CA CYS A 26 0.643 5.072 9.527 1.00 0.00 C ATOM 344 C CYS A 26 0.780 6.464 10.137 1.00 0.00 C ATOM 345 O CYS A 26 0.097 6.800 11.104 1.00 0.00 O ATOM 346 CB CYS A 26 -0.477 5.067 8.485 1.00 0.00 C ATOM 347 SG CYS A 26 -1.877 6.133 8.901 1.00 0.00 S ATOM 0 H CYS A 26 -0.573 3.707 10.555 1.00 0.00 H new ATOM 0 HA CYS A 26 1.584 4.814 9.041 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -0.067 5.382 7.525 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -0.837 4.046 8.359 1.00 0.00 H new ATOM 0 HG CYS A 26 -2.337 5.808 10.073 1.00 0.00 H new ATOM 353 N THR A 27 1.671 7.269 9.565 1.00 0.00 N ATOM 354 CA THR A 27 1.901 8.623 10.054 1.00 0.00 C ATOM 355 C THR A 27 1.618 9.654 8.967 1.00 0.00 C ATOM 356 O THR A 27 1.635 9.338 7.778 1.00 0.00 O ATOM 357 CB THR A 27 3.347 8.802 10.552 1.00 0.00 C ATOM 358 OG1 THR A 27 4.263 8.651 9.462 1.00 0.00 O ATOM 359 CG2 THR A 27 3.674 7.789 11.640 1.00 0.00 C ATOM 0 H THR A 27 2.244 7.007 8.763 1.00 0.00 H new ATOM 0 HA THR A 27 1.216 8.780 10.887 1.00 0.00 H new ATOM 0 HB THR A 27 3.442 9.804 10.970 1.00 0.00 H new ATOM 0 HG1 THR A 27 5.180 8.768 9.787 1.00 0.00 H new ATOM 0 HG21 THR A 27 4.701 7.935 11.976 1.00 0.00 H new ATOM 0 HG22 THR A 27 2.994 7.926 12.481 1.00 0.00 H new ATOM 0 HG23 THR A 27 3.562 6.780 11.243 1.00 0.00 H new ATOM 367 N ALA A 28 1.360 10.890 9.384 1.00 0.00 N ATOM 368 CA ALA A 28 1.077 11.969 8.446 1.00 0.00 C ATOM 369 C ALA A 28 2.022 13.146 8.661 1.00 0.00 C ATOM 370 O ALA A 28 2.315 13.519 9.797 1.00 0.00 O ATOM 371 CB ALA A 28 -0.370 12.420 8.581 1.00 0.00 C ATOM 0 H ALA A 28 1.341 11.168 10.365 1.00 0.00 H new ATOM 0 HA ALA A 28 1.235 11.590 7.436 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -0.567 13.226 7.874 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -1.034 11.582 8.369 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -0.547 12.776 9.596 1.00 0.00 H new ATOM 377 N SER A 29 2.497 13.726 7.564 1.00 0.00 N ATOM 378 CA SER A 29 3.414 14.858 7.633 1.00 0.00 C ATOM 379 C SER A 29 2.988 15.961 6.669 1.00 0.00 C ATOM 380 O SER A 29 2.230 15.721 5.729 1.00 0.00 O ATOM 381 CB SER A 29 4.840 14.407 7.312 1.00 0.00 C ATOM 382 OG SER A 29 5.790 15.345 7.786 1.00 0.00 O ATOM 0 H SER A 29 2.262 13.431 6.616 1.00 0.00 H new ATOM 0 HA SER A 29 3.386 15.255 8.648 1.00 0.00 H new ATOM 0 HB2 SER A 29 5.028 13.434 7.765 1.00 0.00 H new ATOM 0 HB3 SER A 29 4.952 14.284 6.235 1.00 0.00 H new ATOM 0 HG SER A 29 5.522 16.248 7.515 1.00 0.00 H new ATOM 388 N HIS A 30 3.482 17.171 6.909 1.00 0.00 N ATOM 389 CA HIS A 30 3.154 18.313 6.063 1.00 0.00 C ATOM 390 C HIS A 30 3.074 17.897 4.597 1.00 0.00 C ATOM 391 O HIS A 30 1.996 17.893 4.001 1.00 0.00 O ATOM 392 CB HIS A 30 4.196 19.419 6.235 1.00 0.00 C ATOM 393 CG HIS A 30 5.598 18.906 6.356 1.00 0.00 C ATOM 394 ND1 HIS A 30 6.075 18.278 7.487 1.00 0.00 N ATOM 395 CD2 HIS A 30 6.628 18.931 5.478 1.00 0.00 C ATOM 396 CE1 HIS A 30 7.339 17.940 7.300 1.00 0.00 C ATOM 397 NE2 HIS A 30 7.698 18.324 6.088 1.00 0.00 N ATOM 0 H HIS A 30 4.111 17.386 7.682 1.00 0.00 H new ATOM 0 HA HIS A 30 2.179 18.692 6.369 1.00 0.00 H new ATOM 0 HB2 HIS A 30 4.138 20.097 5.384 1.00 0.00 H new ATOM 0 HB3 HIS A 30 3.953 20.001 7.124 1.00 0.00 H new ATOM 0 HD2 HIS A 30 6.611 19.350 4.483 1.00 0.00 H new ATOM 0 HE1 HIS A 30 7.971 17.436 8.016 1.00 0.00 H new ATOM 0 HE2 HIS A 30 8.620 18.191 5.673 1.00 0.00 H new ATOM 406 N ASP A 31 4.220 17.549 4.022 1.00 0.00 N ATOM 407 CA ASP A 31 4.279 17.132 2.626 1.00 0.00 C ATOM 408 C ASP A 31 4.822 15.711 2.507 1.00 0.00 C ATOM 409 O ASP A 31 5.577 15.398 1.585 1.00 0.00 O ATOM 410 CB ASP A 31 5.152 18.094 1.820 1.00 0.00 C ATOM 411 CG ASP A 31 4.779 19.546 2.050 1.00 0.00 C ATOM 412 OD1 ASP A 31 3.568 19.851 2.067 1.00 0.00 O ATOM 413 OD2 ASP A 31 5.697 20.375 2.214 1.00 0.00 O ATOM 0 H ASP A 31 5.120 17.547 4.501 1.00 0.00 H new ATOM 0 HA ASP A 31 3.266 17.150 2.224 1.00 0.00 H new ATOM 0 HB2 ASP A 31 6.197 17.944 2.089 1.00 0.00 H new ATOM 0 HB3 ASP A 31 5.059 17.862 0.759 1.00 0.00 H new ATOM 418 N THR A 32 4.434 14.854 3.446 1.00 0.00 N ATOM 419 CA THR A 32 4.883 13.467 3.447 1.00 0.00 C ATOM 420 C THR A 32 3.964 12.592 4.291 1.00 0.00 C ATOM 421 O THR A 32 3.293 13.078 5.202 1.00 0.00 O ATOM 422 CB THR A 32 6.323 13.344 3.982 1.00 0.00 C ATOM 423 OG1 THR A 32 7.139 14.387 3.437 1.00 0.00 O ATOM 424 CG2 THR A 32 6.918 11.990 3.626 1.00 0.00 C ATOM 0 H THR A 32 3.810 15.096 4.216 1.00 0.00 H new ATOM 0 HA THR A 32 4.856 13.125 2.412 1.00 0.00 H new ATOM 0 HB THR A 32 6.293 13.436 5.068 1.00 0.00 H new ATOM 0 HG1 THR A 32 6.840 14.594 2.527 1.00 0.00 H new ATOM 0 HG21 THR A 32 7.935 11.926 4.014 1.00 0.00 H new ATOM 0 HG22 THR A 32 6.311 11.199 4.066 1.00 0.00 H new ATOM 0 HG23 THR A 32 6.935 11.874 2.542 1.00 0.00 H new ATOM 432 N ILE A 33 3.937 11.300 3.982 1.00 0.00 N ATOM 433 CA ILE A 33 3.100 10.357 4.714 1.00 0.00 C ATOM 434 C ILE A 33 3.683 8.949 4.662 1.00 0.00 C ATOM 435 O ILE A 33 4.153 8.498 3.617 1.00 0.00 O ATOM 436 CB ILE A 33 1.665 10.328 4.156 1.00 0.00 C ATOM 437 CG1 ILE A 33 0.985 11.682 4.367 1.00 0.00 C ATOM 438 CG2 ILE A 33 0.862 9.218 4.818 1.00 0.00 C ATOM 439 CD1 ILE A 33 -0.387 11.774 3.736 1.00 0.00 C ATOM 0 H ILE A 33 4.485 10.882 3.230 1.00 0.00 H new ATOM 0 HA ILE A 33 3.072 10.697 5.749 1.00 0.00 H new ATOM 0 HB ILE A 33 1.711 10.128 3.085 1.00 0.00 H new ATOM 0 HG12 ILE A 33 0.898 11.873 5.437 1.00 0.00 H new ATOM 0 HG13 ILE A 33 1.619 12.466 3.954 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -0.150 9.210 4.413 1.00 0.00 H new ATOM 0 HG22 ILE A 33 1.339 8.258 4.622 1.00 0.00 H new ATOM 0 HG23 ILE A 33 0.821 9.390 5.894 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -0.809 12.761 3.926 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -0.304 11.615 2.661 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -1.037 11.012 4.166 1.00 0.00 H new ATOM 451 N THR A 34 3.647 8.257 5.796 1.00 0.00 N ATOM 452 CA THR A 34 4.171 6.900 5.880 1.00 0.00 C ATOM 453 C THR A 34 3.059 5.899 6.174 1.00 0.00 C ATOM 454 O THR A 34 2.575 5.806 7.302 1.00 0.00 O ATOM 455 CB THR A 34 5.253 6.781 6.969 1.00 0.00 C ATOM 456 OG1 THR A 34 6.219 7.827 6.815 1.00 0.00 O ATOM 457 CG2 THR A 34 5.947 5.429 6.899 1.00 0.00 C ATOM 0 H THR A 34 3.260 8.614 6.669 1.00 0.00 H new ATOM 0 HA THR A 34 4.615 6.673 4.911 1.00 0.00 H new ATOM 0 HB THR A 34 4.769 6.873 7.942 1.00 0.00 H new ATOM 0 HG1 THR A 34 6.904 7.547 6.173 1.00 0.00 H new ATOM 0 HG21 THR A 34 6.707 5.369 7.678 1.00 0.00 H new ATOM 0 HG22 THR A 34 5.214 4.636 7.045 1.00 0.00 H new ATOM 0 HG23 THR A 34 6.418 5.312 5.923 1.00 0.00 H new ATOM 465 N VAL A 35 2.658 5.150 5.152 1.00 0.00 N ATOM 466 CA VAL A 35 1.604 4.153 5.301 1.00 0.00 C ATOM 467 C VAL A 35 2.187 2.778 5.605 1.00 0.00 C ATOM 468 O VAL A 35 3.077 2.300 4.902 1.00 0.00 O ATOM 469 CB VAL A 35 0.735 4.061 4.032 1.00 0.00 C ATOM 470 CG1 VAL A 35 -0.363 3.024 4.211 1.00 0.00 C ATOM 471 CG2 VAL A 35 0.145 5.421 3.692 1.00 0.00 C ATOM 0 H VAL A 35 3.047 5.215 4.211 1.00 0.00 H new ATOM 0 HA VAL A 35 0.981 4.473 6.137 1.00 0.00 H new ATOM 0 HB VAL A 35 1.367 3.746 3.201 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -0.967 2.973 3.305 1.00 0.00 H new ATOM 0 HG12 VAL A 35 0.085 2.049 4.404 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -0.996 3.306 5.053 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -0.466 5.338 2.793 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -0.473 5.767 4.520 1.00 0.00 H new ATOM 0 HG23 VAL A 35 0.951 6.134 3.518 1.00 0.00 H new ATOM 481 N HIS A 36 1.678 2.146 6.658 1.00 0.00 N ATOM 482 CA HIS A 36 2.148 0.823 7.056 1.00 0.00 C ATOM 483 C HIS A 36 1.096 -0.240 6.755 1.00 0.00 C ATOM 484 O HIS A 36 -0.045 -0.143 7.207 1.00 0.00 O ATOM 485 CB HIS A 36 2.493 0.808 8.545 1.00 0.00 C ATOM 486 CG HIS A 36 3.735 1.576 8.880 1.00 0.00 C ATOM 487 ND1 HIS A 36 4.783 1.037 9.597 1.00 0.00 N ATOM 488 CD2 HIS A 36 4.095 2.848 8.589 1.00 0.00 C ATOM 489 CE1 HIS A 36 5.732 1.945 9.735 1.00 0.00 C ATOM 490 NE2 HIS A 36 5.340 3.053 9.132 1.00 0.00 N ATOM 0 H HIS A 36 0.941 2.528 7.251 1.00 0.00 H new ATOM 0 HA HIS A 36 3.045 0.595 6.481 1.00 0.00 H new ATOM 0 HB2 HIS A 36 1.657 1.223 9.108 1.00 0.00 H new ATOM 0 HB3 HIS A 36 2.615 -0.225 8.871 1.00 0.00 H new ATOM 0 HD1 HIS A 36 4.819 0.086 9.963 1.00 0.00 H new ATOM 0 HD2 HIS A 36 3.512 3.568 8.033 1.00 0.00 H new ATOM 0 HE1 HIS A 36 6.669 1.805 10.253 1.00 0.00 H new ATOM 499 N TRP A 37 1.487 -1.252 5.989 1.00 0.00 N ATOM 500 CA TRP A 37 0.577 -2.333 5.628 1.00 0.00 C ATOM 501 C TRP A 37 1.058 -3.663 6.196 1.00 0.00 C ATOM 502 O TRP A 37 2.248 -3.978 6.141 1.00 0.00 O ATOM 503 CB TRP A 37 0.448 -2.431 4.107 1.00 0.00 C ATOM 504 CG TRP A 37 1.767 -2.408 3.396 1.00 0.00 C ATOM 505 CD1 TRP A 37 2.615 -3.462 3.208 1.00 0.00 C ATOM 506 CD2 TRP A 37 2.389 -1.275 2.780 1.00 0.00 C ATOM 507 NE1 TRP A 37 3.727 -3.052 2.513 1.00 0.00 N ATOM 508 CE2 TRP A 37 3.612 -1.715 2.237 1.00 0.00 C ATOM 509 CE3 TRP A 37 2.031 0.068 2.632 1.00 0.00 C ATOM 510 CZ2 TRP A 37 4.477 -0.859 1.561 1.00 0.00 C ATOM 511 CZ3 TRP A 37 2.890 0.916 1.961 1.00 0.00 C ATOM 512 CH2 TRP A 37 4.101 0.451 1.431 1.00 0.00 C ATOM 0 H TRP A 37 2.428 -1.347 5.606 1.00 0.00 H new ATOM 0 HA TRP A 37 -0.400 -2.110 6.056 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -0.078 -3.351 3.853 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -0.165 -1.604 3.748 1.00 0.00 H new ATOM 0 HD1 TRP A 37 2.438 -4.469 3.555 1.00 0.00 H new ATOM 0 HE1 TRP A 37 4.511 -3.647 2.246 1.00 0.00 H new ATOM 0 HE3 TRP A 37 1.099 0.436 3.035 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 5.411 -1.216 1.154 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 2.624 1.956 1.843 1.00 0.00 H new ATOM 0 HH2 TRP A 37 4.750 1.139 0.910 1.00 0.00 H new ATOM 523 N ILE A 38 0.129 -4.440 6.741 1.00 0.00 N ATOM 524 CA ILE A 38 0.459 -5.737 7.319 1.00 0.00 C ATOM 525 C ILE A 38 -0.051 -6.875 6.442 1.00 0.00 C ATOM 526 O ILE A 38 -1.203 -6.869 6.007 1.00 0.00 O ATOM 527 CB ILE A 38 -0.129 -5.890 8.733 1.00 0.00 C ATOM 528 CG1 ILE A 38 0.340 -7.202 9.365 1.00 0.00 C ATOM 529 CG2 ILE A 38 -1.649 -5.833 8.684 1.00 0.00 C ATOM 530 CD1 ILE A 38 1.661 -7.084 10.093 1.00 0.00 C ATOM 0 H ILE A 38 -0.859 -4.194 6.795 1.00 0.00 H new ATOM 0 HA ILE A 38 1.546 -5.788 7.380 1.00 0.00 H new ATOM 0 HB ILE A 38 0.226 -5.064 9.349 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -0.420 -7.552 10.063 1.00 0.00 H new ATOM 0 HG13 ILE A 38 0.430 -7.959 8.586 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -2.050 -5.943 9.692 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -1.964 -4.875 8.270 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -2.023 -6.641 8.055 1.00 0.00 H new ATOM 0 HD11 ILE A 38 1.931 -8.052 10.516 1.00 0.00 H new ATOM 0 HD12 ILE A 38 2.434 -6.764 9.394 1.00 0.00 H new ATOM 0 HD13 ILE A 38 1.571 -6.351 10.894 1.00 0.00 H new ATOM 542 N SER A 39 0.813 -7.852 6.187 1.00 0.00 N ATOM 543 CA SER A 39 0.451 -8.997 5.360 1.00 0.00 C ATOM 544 C SER A 39 0.789 -10.306 6.067 1.00 0.00 C ATOM 545 O SER A 39 1.836 -10.429 6.703 1.00 0.00 O ATOM 546 CB SER A 39 1.174 -8.930 4.014 1.00 0.00 C ATOM 547 OG SER A 39 2.556 -8.671 4.189 1.00 0.00 O ATOM 0 H SER A 39 1.769 -7.874 6.541 1.00 0.00 H new ATOM 0 HA SER A 39 -0.625 -8.964 5.188 1.00 0.00 H new ATOM 0 HB2 SER A 39 1.042 -9.871 3.480 1.00 0.00 H new ATOM 0 HB3 SER A 39 0.730 -8.148 3.398 1.00 0.00 H new ATOM 0 HG SER A 39 2.926 -8.296 3.363 1.00 0.00 H new ATOM 553 N ASP A 40 -0.106 -11.282 5.951 1.00 0.00 N ATOM 554 CA ASP A 40 0.096 -12.583 6.578 1.00 0.00 C ATOM 555 C ASP A 40 1.063 -13.435 5.762 1.00 0.00 C ATOM 556 O ASP A 40 1.755 -14.298 6.303 1.00 0.00 O ATOM 557 CB ASP A 40 -1.240 -13.312 6.731 1.00 0.00 C ATOM 558 CG ASP A 40 -1.158 -14.472 7.704 1.00 0.00 C ATOM 559 OD1 ASP A 40 -0.436 -15.446 7.405 1.00 0.00 O ATOM 560 OD2 ASP A 40 -1.815 -14.406 8.763 1.00 0.00 O ATOM 0 H ASP A 40 -0.978 -11.196 5.429 1.00 0.00 H new ATOM 0 HA ASP A 40 0.528 -12.420 7.566 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -1.998 -12.607 7.073 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -1.563 -13.680 5.757 1.00 0.00 H new ATOM 565 N ASP A 41 1.106 -13.186 4.457 1.00 0.00 N ATOM 566 CA ASP A 41 1.989 -13.930 3.566 1.00 0.00 C ATOM 567 C ASP A 41 2.574 -13.017 2.494 1.00 0.00 C ATOM 568 O ASP A 41 1.878 -12.610 1.564 1.00 0.00 O ATOM 569 CB ASP A 41 1.231 -15.086 2.910 1.00 0.00 C ATOM 570 CG ASP A 41 1.307 -16.363 3.723 1.00 0.00 C ATOM 571 OD1 ASP A 41 1.598 -16.280 4.935 1.00 0.00 O ATOM 572 OD2 ASP A 41 1.076 -17.447 3.147 1.00 0.00 O ATOM 0 H ASP A 41 0.540 -12.475 3.993 1.00 0.00 H new ATOM 0 HA ASP A 41 2.808 -14.334 4.161 1.00 0.00 H new ATOM 0 HB2 ASP A 41 0.186 -14.804 2.779 1.00 0.00 H new ATOM 0 HB3 ASP A 41 1.640 -15.267 1.916 1.00 0.00 H new ATOM 577 N GLU A 42 3.858 -12.697 2.632 1.00 0.00 N ATOM 578 CA GLU A 42 4.535 -11.830 1.675 1.00 0.00 C ATOM 579 C GLU A 42 5.707 -12.554 1.019 1.00 0.00 C ATOM 580 O GLU A 42 6.638 -11.924 0.516 1.00 0.00 O ATOM 581 CB GLU A 42 5.030 -10.559 2.368 1.00 0.00 C ATOM 582 CG GLU A 42 6.184 -10.798 3.327 1.00 0.00 C ATOM 583 CD GLU A 42 6.978 -9.537 3.611 1.00 0.00 C ATOM 584 OE1 GLU A 42 6.408 -8.434 3.472 1.00 0.00 O ATOM 585 OE2 GLU A 42 8.167 -9.653 3.972 1.00 0.00 O ATOM 0 H GLU A 42 4.449 -13.025 3.396 1.00 0.00 H new ATOM 0 HA GLU A 42 3.819 -11.558 0.900 1.00 0.00 H new ATOM 0 HB2 GLU A 42 5.341 -9.840 1.610 1.00 0.00 H new ATOM 0 HB3 GLU A 42 4.202 -10.107 2.915 1.00 0.00 H new ATOM 0 HG2 GLU A 42 5.796 -11.197 4.264 1.00 0.00 H new ATOM 0 HG3 GLU A 42 6.848 -11.555 2.909 1.00 0.00 H new ATOM 592 N PHE A 43 5.655 -13.882 1.029 1.00 0.00 N ATOM 593 CA PHE A 43 6.713 -14.693 0.437 1.00 0.00 C ATOM 594 C PHE A 43 6.503 -14.846 -1.066 1.00 0.00 C ATOM 595 O PHE A 43 7.451 -14.762 -1.848 1.00 0.00 O ATOM 596 CB PHE A 43 6.759 -16.071 1.100 1.00 0.00 C ATOM 597 CG PHE A 43 6.465 -16.038 2.573 1.00 0.00 C ATOM 598 CD1 PHE A 43 7.103 -15.128 3.400 1.00 0.00 C ATOM 599 CD2 PHE A 43 5.550 -16.918 3.130 1.00 0.00 C ATOM 600 CE1 PHE A 43 6.834 -15.096 4.755 1.00 0.00 C ATOM 601 CE2 PHE A 43 5.278 -16.890 4.485 1.00 0.00 C ATOM 602 CZ PHE A 43 5.920 -15.978 5.298 1.00 0.00 C ATOM 0 H PHE A 43 4.892 -14.419 1.440 1.00 0.00 H new ATOM 0 HA PHE A 43 7.663 -14.185 0.604 1.00 0.00 H new ATOM 0 HB2 PHE A 43 6.039 -16.726 0.609 1.00 0.00 H new ATOM 0 HB3 PHE A 43 7.746 -16.508 0.944 1.00 0.00 H new ATOM 0 HD1 PHE A 43 7.819 -14.436 2.981 1.00 0.00 H new ATOM 0 HD2 PHE A 43 5.044 -17.633 2.498 1.00 0.00 H new ATOM 0 HE1 PHE A 43 7.338 -14.382 5.389 1.00 0.00 H new ATOM 0 HE2 PHE A 43 4.564 -17.581 4.907 1.00 0.00 H new ATOM 0 HZ PHE A 43 5.708 -15.954 6.357 1.00 0.00 H new ATOM 612 N SER A 44 5.255 -15.072 -1.464 1.00 0.00 N ATOM 613 CA SER A 44 4.921 -15.242 -2.873 1.00 0.00 C ATOM 614 C SER A 44 4.934 -13.901 -3.600 1.00 0.00 C ATOM 615 O SER A 44 5.426 -13.796 -4.724 1.00 0.00 O ATOM 616 CB SER A 44 3.547 -15.899 -3.018 1.00 0.00 C ATOM 617 OG SER A 44 3.093 -15.843 -4.359 1.00 0.00 O ATOM 0 H SER A 44 4.459 -15.142 -0.830 1.00 0.00 H new ATOM 0 HA SER A 44 5.674 -15.888 -3.324 1.00 0.00 H new ATOM 0 HB2 SER A 44 3.601 -16.938 -2.692 1.00 0.00 H new ATOM 0 HB3 SER A 44 2.830 -15.398 -2.367 1.00 0.00 H new ATOM 0 HG SER A 44 2.296 -16.405 -4.458 1.00 0.00 H new ATOM 623 N ILE A 45 4.391 -12.877 -2.950 1.00 0.00 N ATOM 624 CA ILE A 45 4.341 -11.542 -3.533 1.00 0.00 C ATOM 625 C ILE A 45 5.705 -11.126 -4.072 1.00 0.00 C ATOM 626 O ILE A 45 6.647 -10.912 -3.308 1.00 0.00 O ATOM 627 CB ILE A 45 3.867 -10.497 -2.506 1.00 0.00 C ATOM 628 CG1 ILE A 45 2.494 -10.882 -1.950 1.00 0.00 C ATOM 629 CG2 ILE A 45 3.819 -9.115 -3.140 1.00 0.00 C ATOM 630 CD1 ILE A 45 2.010 -9.965 -0.848 1.00 0.00 C ATOM 0 H ILE A 45 3.979 -12.946 -2.019 1.00 0.00 H new ATOM 0 HA ILE A 45 3.626 -11.583 -4.354 1.00 0.00 H new ATOM 0 HB ILE A 45 4.578 -10.472 -1.681 1.00 0.00 H new ATOM 0 HG12 ILE A 45 1.767 -10.876 -2.762 1.00 0.00 H new ATOM 0 HG13 ILE A 45 2.538 -11.902 -1.569 1.00 0.00 H new ATOM 0 HG21 ILE A 45 3.482 -8.387 -2.402 1.00 0.00 H new ATOM 0 HG22 ILE A 45 4.814 -8.841 -3.492 1.00 0.00 H new ATOM 0 HG23 ILE A 45 3.127 -9.125 -3.982 1.00 0.00 H new ATOM 0 HD11 ILE A 45 1.031 -10.297 -0.502 1.00 0.00 H new ATOM 0 HD12 ILE A 45 2.716 -9.989 -0.018 1.00 0.00 H new ATOM 0 HD13 ILE A 45 1.933 -8.947 -1.229 1.00 0.00 H new ATOM 642 N SER A 46 5.804 -11.012 -5.392 1.00 0.00 N ATOM 643 CA SER A 46 7.054 -10.623 -6.035 1.00 0.00 C ATOM 644 C SER A 46 7.436 -9.194 -5.661 1.00 0.00 C ATOM 645 O SER A 46 8.613 -8.878 -5.494 1.00 0.00 O ATOM 646 CB SER A 46 6.931 -10.749 -7.555 1.00 0.00 C ATOM 647 OG SER A 46 8.200 -10.951 -8.153 1.00 0.00 O ATOM 0 H SER A 46 5.033 -11.183 -6.038 1.00 0.00 H new ATOM 0 HA SER A 46 7.838 -11.294 -5.684 1.00 0.00 H new ATOM 0 HB2 SER A 46 6.272 -11.581 -7.802 1.00 0.00 H new ATOM 0 HB3 SER A 46 6.473 -9.848 -7.962 1.00 0.00 H new ATOM 0 HG SER A 46 8.095 -11.030 -9.124 1.00 0.00 H new ATOM 653 N SER A 47 6.430 -8.335 -5.531 1.00 0.00 N ATOM 654 CA SER A 47 6.659 -6.938 -5.181 1.00 0.00 C ATOM 655 C SER A 47 5.352 -6.255 -4.788 1.00 0.00 C ATOM 656 O SER A 47 4.269 -6.694 -5.175 1.00 0.00 O ATOM 657 CB SER A 47 7.303 -6.195 -6.353 1.00 0.00 C ATOM 658 OG SER A 47 6.547 -6.361 -7.540 1.00 0.00 O ATOM 0 H SER A 47 5.449 -8.582 -5.663 1.00 0.00 H new ATOM 0 HA SER A 47 7.335 -6.910 -4.327 1.00 0.00 H new ATOM 0 HB2 SER A 47 7.384 -5.134 -6.115 1.00 0.00 H new ATOM 0 HB3 SER A 47 8.316 -6.565 -6.509 1.00 0.00 H new ATOM 0 HG SER A 47 6.979 -5.875 -8.273 1.00 0.00 H new ATOM 664 N TYR A 48 5.463 -5.179 -4.017 1.00 0.00 N ATOM 665 CA TYR A 48 4.291 -4.436 -3.569 1.00 0.00 C ATOM 666 C TYR A 48 4.093 -3.175 -4.405 1.00 0.00 C ATOM 667 O TYR A 48 5.041 -2.649 -4.988 1.00 0.00 O ATOM 668 CB TYR A 48 4.431 -4.065 -2.092 1.00 0.00 C ATOM 669 CG TYR A 48 3.795 -5.066 -1.154 1.00 0.00 C ATOM 670 CD1 TYR A 48 2.420 -5.267 -1.150 1.00 0.00 C ATOM 671 CD2 TYR A 48 4.568 -5.809 -0.270 1.00 0.00 C ATOM 672 CE1 TYR A 48 1.834 -6.180 -0.294 1.00 0.00 C ATOM 673 CE2 TYR A 48 3.991 -6.724 0.588 1.00 0.00 C ATOM 674 CZ TYR A 48 2.624 -6.906 0.573 1.00 0.00 C ATOM 675 OH TYR A 48 2.045 -7.816 1.427 1.00 0.00 O ATOM 0 H TYR A 48 6.352 -4.802 -3.689 1.00 0.00 H new ATOM 0 HA TYR A 48 3.417 -5.075 -3.695 1.00 0.00 H new ATOM 0 HB2 TYR A 48 5.489 -3.972 -1.848 1.00 0.00 H new ATOM 0 HB3 TYR A 48 3.979 -3.087 -1.927 1.00 0.00 H new ATOM 0 HD1 TYR A 48 1.799 -4.700 -1.827 1.00 0.00 H new ATOM 0 HD2 TYR A 48 5.639 -5.668 -0.254 1.00 0.00 H new ATOM 0 HE1 TYR A 48 0.764 -6.324 -0.304 1.00 0.00 H new ATOM 0 HE2 TYR A 48 4.607 -7.294 1.267 1.00 0.00 H new ATOM 0 HH TYR A 48 1.075 -7.822 1.290 1.00 0.00 H new ATOM 685 N GLU A 49 2.854 -2.696 -4.458 1.00 0.00 N ATOM 686 CA GLU A 49 2.531 -1.497 -5.222 1.00 0.00 C ATOM 687 C GLU A 49 1.739 -0.507 -4.373 1.00 0.00 C ATOM 688 O GLU A 49 0.800 -0.886 -3.671 1.00 0.00 O ATOM 689 CB GLU A 49 1.733 -1.864 -6.475 1.00 0.00 C ATOM 690 CG GLU A 49 1.927 -0.892 -7.626 1.00 0.00 C ATOM 691 CD GLU A 49 3.386 -0.556 -7.867 1.00 0.00 C ATOM 692 OE1 GLU A 49 3.902 0.363 -7.197 1.00 0.00 O ATOM 693 OE2 GLU A 49 4.012 -1.214 -8.725 1.00 0.00 O ATOM 0 H GLU A 49 2.058 -3.120 -3.981 1.00 0.00 H new ATOM 0 HA GLU A 49 3.467 -1.025 -5.521 1.00 0.00 H new ATOM 0 HB2 GLU A 49 2.024 -2.863 -6.801 1.00 0.00 H new ATOM 0 HB3 GLU A 49 0.674 -1.907 -6.221 1.00 0.00 H new ATOM 0 HG2 GLU A 49 1.502 -1.320 -8.534 1.00 0.00 H new ATOM 0 HG3 GLU A 49 1.376 0.025 -7.418 1.00 0.00 H new ATOM 700 N LEU A 50 2.125 0.762 -4.440 1.00 0.00 N ATOM 701 CA LEU A 50 1.452 1.808 -3.677 1.00 0.00 C ATOM 702 C LEU A 50 0.603 2.687 -4.590 1.00 0.00 C ATOM 703 O LEU A 50 1.042 3.083 -5.669 1.00 0.00 O ATOM 704 CB LEU A 50 2.479 2.665 -2.935 1.00 0.00 C ATOM 705 CG LEU A 50 1.923 3.593 -1.854 1.00 0.00 C ATOM 706 CD1 LEU A 50 1.351 2.784 -0.700 1.00 0.00 C ATOM 707 CD2 LEU A 50 3.003 4.542 -1.359 1.00 0.00 C ATOM 0 H LEU A 50 2.900 1.092 -5.015 1.00 0.00 H new ATOM 0 HA LEU A 50 0.795 1.329 -2.951 1.00 0.00 H new ATOM 0 HB2 LEU A 50 3.211 2.002 -2.475 1.00 0.00 H new ATOM 0 HB3 LEU A 50 3.013 3.271 -3.667 1.00 0.00 H new ATOM 0 HG LEU A 50 1.119 4.186 -2.289 1.00 0.00 H new ATOM 0 HD11 LEU A 50 0.960 3.460 0.060 1.00 0.00 H new ATOM 0 HD12 LEU A 50 0.547 2.146 -1.066 1.00 0.00 H new ATOM 0 HD13 LEU A 50 2.136 2.165 -0.265 1.00 0.00 H new ATOM 0 HD21 LEU A 50 2.589 5.195 -0.590 1.00 0.00 H new ATOM 0 HD22 LEU A 50 3.829 3.967 -0.941 1.00 0.00 H new ATOM 0 HD23 LEU A 50 3.366 5.146 -2.191 1.00 0.00 H new ATOM 719 N GLN A 51 -0.613 2.988 -4.148 1.00 0.00 N ATOM 720 CA GLN A 51 -1.523 3.822 -4.925 1.00 0.00 C ATOM 721 C GLN A 51 -2.122 4.926 -4.060 1.00 0.00 C ATOM 722 O GLN A 51 -2.846 4.654 -3.101 1.00 0.00 O ATOM 723 CB GLN A 51 -2.640 2.969 -5.529 1.00 0.00 C ATOM 724 CG GLN A 51 -2.146 1.954 -6.549 1.00 0.00 C ATOM 725 CD GLN A 51 -3.280 1.263 -7.279 1.00 0.00 C ATOM 726 OE1 GLN A 51 -4.429 1.295 -6.838 1.00 0.00 O ATOM 727 NE2 GLN A 51 -2.962 0.632 -8.404 1.00 0.00 N ATOM 0 H GLN A 51 -0.991 2.667 -3.257 1.00 0.00 H new ATOM 0 HA GLN A 51 -0.953 4.285 -5.730 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -3.159 2.443 -4.727 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -3.370 3.624 -6.005 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -1.504 2.455 -7.274 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -1.534 1.206 -6.045 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -1.996 0.631 -8.733 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -3.683 0.149 -8.939 1.00 0.00 H new ATOM 736 N TYR A 52 -1.817 6.172 -4.405 1.00 0.00 N ATOM 737 CA TYR A 52 -2.323 7.317 -3.658 1.00 0.00 C ATOM 738 C TYR A 52 -2.719 8.450 -4.600 1.00 0.00 C ATOM 739 O TYR A 52 -2.102 8.648 -5.648 1.00 0.00 O ATOM 740 CB TYR A 52 -1.270 7.811 -2.664 1.00 0.00 C ATOM 741 CG TYR A 52 0.053 8.160 -3.307 1.00 0.00 C ATOM 742 CD1 TYR A 52 0.967 7.169 -3.646 1.00 0.00 C ATOM 743 CD2 TYR A 52 0.389 9.481 -3.578 1.00 0.00 C ATOM 744 CE1 TYR A 52 2.177 7.484 -4.233 1.00 0.00 C ATOM 745 CE2 TYR A 52 1.597 9.804 -4.166 1.00 0.00 C ATOM 746 CZ TYR A 52 2.487 8.803 -4.491 1.00 0.00 C ATOM 747 OH TYR A 52 3.691 9.120 -5.077 1.00 0.00 O ATOM 0 H TYR A 52 -1.222 6.415 -5.197 1.00 0.00 H new ATOM 0 HA TYR A 52 -3.209 6.997 -3.110 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -1.655 8.689 -2.146 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -1.106 7.042 -1.909 1.00 0.00 H new ATOM 0 HD1 TYR A 52 0.727 6.135 -3.447 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -0.306 10.268 -3.325 1.00 0.00 H new ATOM 0 HE1 TYR A 52 2.876 6.702 -4.489 1.00 0.00 H new ATOM 0 HE2 TYR A 52 1.843 10.836 -4.370 1.00 0.00 H new ATOM 0 HH TYR A 52 3.535 9.460 -5.983 1.00 0.00 H new ATOM 757 N THR A 53 -3.754 9.193 -4.220 1.00 0.00 N ATOM 758 CA THR A 53 -4.234 10.306 -5.030 1.00 0.00 C ATOM 759 C THR A 53 -4.950 11.342 -4.170 1.00 0.00 C ATOM 760 O THR A 53 -5.709 10.994 -3.265 1.00 0.00 O ATOM 761 CB THR A 53 -5.192 9.823 -6.136 1.00 0.00 C ATOM 762 OG1 THR A 53 -5.519 10.910 -7.008 1.00 0.00 O ATOM 763 CG2 THR A 53 -6.465 9.246 -5.536 1.00 0.00 C ATOM 0 H THR A 53 -4.276 9.044 -3.356 1.00 0.00 H new ATOM 0 HA THR A 53 -3.359 10.763 -5.492 1.00 0.00 H new ATOM 0 HB THR A 53 -4.691 9.040 -6.704 1.00 0.00 H new ATOM 0 HG1 THR A 53 -6.127 10.595 -7.709 1.00 0.00 H new ATOM 0 HG21 THR A 53 -7.125 8.912 -6.336 1.00 0.00 H new ATOM 0 HG22 THR A 53 -6.215 8.400 -4.895 1.00 0.00 H new ATOM 0 HG23 THR A 53 -6.969 10.012 -4.946 1.00 0.00 H new ATOM 771 N ILE A 54 -4.704 12.615 -4.460 1.00 0.00 N ATOM 772 CA ILE A 54 -5.327 13.701 -3.714 1.00 0.00 C ATOM 773 C ILE A 54 -6.847 13.629 -3.804 1.00 0.00 C ATOM 774 O ILE A 54 -7.433 13.912 -4.849 1.00 0.00 O ATOM 775 CB ILE A 54 -4.859 15.077 -4.226 1.00 0.00 C ATOM 776 CG1 ILE A 54 -3.349 15.230 -4.033 1.00 0.00 C ATOM 777 CG2 ILE A 54 -5.606 16.191 -3.509 1.00 0.00 C ATOM 778 CD1 ILE A 54 -2.725 16.260 -4.948 1.00 0.00 C ATOM 0 H ILE A 54 -4.078 12.919 -5.206 1.00 0.00 H new ATOM 0 HA ILE A 54 -5.021 13.585 -2.674 1.00 0.00 H new ATOM 0 HB ILE A 54 -5.079 15.146 -5.291 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -3.149 15.507 -2.998 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -2.869 14.266 -4.203 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -5.264 17.157 -3.882 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -6.676 16.089 -3.693 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -5.414 16.127 -2.438 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -1.653 16.315 -4.756 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -2.894 15.974 -5.986 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -3.178 17.234 -4.762 1.00 0.00 H new ATOM 790 N PHE A 55 -7.482 13.248 -2.699 1.00 0.00 N ATOM 791 CA PHE A 55 -8.935 13.139 -2.652 1.00 0.00 C ATOM 792 C PHE A 55 -9.589 14.509 -2.806 1.00 0.00 C ATOM 793 O PHE A 55 -9.584 15.321 -1.880 1.00 0.00 O ATOM 794 CB PHE A 55 -9.377 12.496 -1.336 1.00 0.00 C ATOM 795 CG PHE A 55 -10.860 12.556 -1.108 1.00 0.00 C ATOM 796 CD1 PHE A 55 -11.689 11.552 -1.582 1.00 0.00 C ATOM 797 CD2 PHE A 55 -11.426 13.617 -0.420 1.00 0.00 C ATOM 798 CE1 PHE A 55 -13.054 11.604 -1.373 1.00 0.00 C ATOM 799 CE2 PHE A 55 -12.791 13.674 -0.207 1.00 0.00 C ATOM 800 CZ PHE A 55 -13.606 12.667 -0.686 1.00 0.00 C ATOM 0 H PHE A 55 -7.013 13.010 -1.825 1.00 0.00 H new ATOM 0 HA PHE A 55 -9.254 12.508 -3.482 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -9.058 11.454 -1.325 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -8.870 12.994 -0.509 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -11.263 10.719 -2.121 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -10.794 14.409 -0.046 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -13.688 10.814 -1.747 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -13.219 14.505 0.333 1.00 0.00 H new ATOM 0 HZ PHE A 55 -14.673 12.711 -0.524 1.00 0.00 H new ATOM 1050 N MET A 72 -1.725 7.696 -8.881 1.00 0.00 N ATOM 1051 CA MET A 72 -0.275 7.607 -8.755 1.00 0.00 C ATOM 1052 C MET A 72 0.149 6.203 -8.333 1.00 0.00 C ATOM 1053 O MET A 72 -0.557 5.533 -7.578 1.00 0.00 O ATOM 1054 CB MET A 72 0.234 8.632 -7.740 1.00 0.00 C ATOM 1055 CG MET A 72 1.606 9.193 -8.078 1.00 0.00 C ATOM 1056 SD MET A 72 2.099 10.534 -6.978 1.00 0.00 S ATOM 1057 CE MET A 72 0.726 11.665 -7.187 1.00 0.00 C ATOM 0 HA MET A 72 0.163 7.823 -9.729 1.00 0.00 H new ATOM 0 HB2 MET A 72 -0.480 9.453 -7.676 1.00 0.00 H new ATOM 0 HB3 MET A 72 0.273 8.167 -6.755 1.00 0.00 H new ATOM 0 HG2 MET A 72 2.345 8.393 -8.023 1.00 0.00 H new ATOM 0 HG3 MET A 72 1.603 9.554 -9.106 1.00 0.00 H new ATOM 0 HE1 MET A 72 1.077 12.690 -7.063 1.00 0.00 H new ATOM 0 HE2 MET A 72 0.304 11.544 -8.185 1.00 0.00 H new ATOM 0 HE3 MET A 72 -0.039 11.450 -6.441 1.00 0.00 H new ATOM 1067 N ILE A 73 1.303 5.765 -8.824 1.00 0.00 N ATOM 1068 CA ILE A 73 1.819 4.442 -8.497 1.00 0.00 C ATOM 1069 C ILE A 73 3.339 4.460 -8.376 1.00 0.00 C ATOM 1070 O ILE A 73 4.029 5.096 -9.173 1.00 0.00 O ATOM 1071 CB ILE A 73 1.411 3.401 -9.556 1.00 0.00 C ATOM 1072 CG1 ILE A 73 -0.112 3.338 -9.680 1.00 0.00 C ATOM 1073 CG2 ILE A 73 1.976 2.034 -9.200 1.00 0.00 C ATOM 1074 CD1 ILE A 73 -0.675 4.295 -10.707 1.00 0.00 C ATOM 0 H ILE A 73 1.899 6.307 -9.450 1.00 0.00 H new ATOM 0 HA ILE A 73 1.384 4.161 -7.538 1.00 0.00 H new ATOM 0 HB ILE A 73 1.823 3.703 -10.519 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -0.405 2.322 -9.943 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -0.557 3.557 -8.709 1.00 0.00 H new ATOM 0 HG21 ILE A 73 1.679 1.309 -9.958 1.00 0.00 H new ATOM 0 HG22 ILE A 73 3.064 2.090 -9.158 1.00 0.00 H new ATOM 0 HG23 ILE A 73 1.591 1.723 -8.229 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -1.760 4.196 -10.741 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -0.413 5.317 -10.434 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -0.259 4.063 -11.687 1.00 0.00 H new ATOM 1086 N VAL A 74 3.856 3.755 -7.375 1.00 0.00 N ATOM 1087 CA VAL A 74 5.295 3.686 -7.151 1.00 0.00 C ATOM 1088 C VAL A 74 5.763 2.241 -7.022 1.00 0.00 C ATOM 1089 O VAL A 74 5.695 1.633 -5.954 1.00 0.00 O ATOM 1090 CB VAL A 74 5.704 4.461 -5.884 1.00 0.00 C ATOM 1091 CG1 VAL A 74 7.174 4.233 -5.569 1.00 0.00 C ATOM 1092 CG2 VAL A 74 5.410 5.945 -6.050 1.00 0.00 C ATOM 0 H VAL A 74 3.299 3.223 -6.706 1.00 0.00 H new ATOM 0 HA VAL A 74 5.772 4.143 -8.018 1.00 0.00 H new ATOM 0 HB VAL A 74 5.116 4.088 -5.045 1.00 0.00 H new ATOM 0 HG11 VAL A 74 7.444 4.788 -4.671 1.00 0.00 H new ATOM 0 HG12 VAL A 74 7.350 3.170 -5.405 1.00 0.00 H new ATOM 0 HG13 VAL A 74 7.783 4.577 -6.405 1.00 0.00 H new ATOM 0 HG21 VAL A 74 5.705 6.478 -5.146 1.00 0.00 H new ATOM 0 HG22 VAL A 74 5.971 6.334 -6.900 1.00 0.00 H new ATOM 0 HG23 VAL A 74 4.343 6.087 -6.223 1.00 0.00 H new ATOM 1102 N PRO A 75 6.251 1.675 -8.136 1.00 0.00 N ATOM 1103 CA PRO A 75 6.741 0.294 -8.174 1.00 0.00 C ATOM 1104 C PRO A 75 8.042 0.120 -7.398 1.00 0.00 C ATOM 1105 O PRO A 75 8.568 1.074 -6.827 1.00 0.00 O ATOM 1106 CB PRO A 75 6.969 0.039 -9.666 1.00 0.00 C ATOM 1107 CG PRO A 75 7.205 1.390 -10.249 1.00 0.00 C ATOM 1108 CD PRO A 75 6.362 2.341 -9.445 1.00 0.00 C ATOM 0 HA PRO A 75 6.040 -0.401 -7.712 1.00 0.00 H new ATOM 0 HB2 PRO A 75 7.824 -0.618 -9.829 1.00 0.00 H new ATOM 0 HB3 PRO A 75 6.104 -0.444 -10.122 1.00 0.00 H new ATOM 0 HG2 PRO A 75 8.259 1.660 -10.193 1.00 0.00 H new ATOM 0 HG3 PRO A 75 6.925 1.415 -11.302 1.00 0.00 H new ATOM 0 HD2 PRO A 75 6.832 3.321 -9.359 1.00 0.00 H new ATOM 0 HD3 PRO A 75 5.384 2.496 -9.901 1.00 0.00 H new ATOM 1116 N ASN A 76 8.557 -1.105 -7.382 1.00 0.00 N ATOM 1117 CA ASN A 76 9.797 -1.404 -6.676 1.00 0.00 C ATOM 1118 C ASN A 76 9.637 -1.178 -5.176 1.00 0.00 C ATOM 1119 O ASN A 76 10.408 -0.438 -4.564 1.00 0.00 O ATOM 1120 CB ASN A 76 10.937 -0.538 -7.216 1.00 0.00 C ATOM 1121 CG ASN A 76 11.218 -0.800 -8.683 1.00 0.00 C ATOM 1122 OD1 ASN A 76 10.823 -1.831 -9.227 1.00 0.00 O ATOM 1123 ND2 ASN A 76 11.904 0.135 -9.330 1.00 0.00 N ATOM 0 H ASN A 76 8.135 -1.907 -7.850 1.00 0.00 H new ATOM 0 HA ASN A 76 10.037 -2.454 -6.843 1.00 0.00 H new ATOM 0 HB2 ASN A 76 10.686 0.514 -7.079 1.00 0.00 H new ATOM 0 HB3 ASN A 76 11.840 -0.729 -6.636 1.00 0.00 H new ATOM 0 HD21 ASN A 76 12.124 0.014 -10.319 1.00 0.00 H new ATOM 0 HD22 ASN A 76 12.211 0.974 -8.838 1.00 0.00 H new ATOM 1130 N ILE A 77 8.633 -1.820 -4.590 1.00 0.00 N ATOM 1131 CA ILE A 77 8.373 -1.690 -3.162 1.00 0.00 C ATOM 1132 C ILE A 77 8.615 -3.010 -2.437 1.00 0.00 C ATOM 1133 O ILE A 77 7.865 -3.971 -2.606 1.00 0.00 O ATOM 1134 CB ILE A 77 6.930 -1.226 -2.892 1.00 0.00 C ATOM 1135 CG1 ILE A 77 6.638 0.071 -3.648 1.00 0.00 C ATOM 1136 CG2 ILE A 77 6.704 -1.039 -1.399 1.00 0.00 C ATOM 1137 CD1 ILE A 77 5.214 0.556 -3.489 1.00 0.00 C ATOM 0 H ILE A 77 7.986 -2.436 -5.082 1.00 0.00 H new ATOM 0 HA ILE A 77 9.064 -0.937 -2.783 1.00 0.00 H new ATOM 0 HB ILE A 77 6.244 -1.994 -3.249 1.00 0.00 H new ATOM 0 HG12 ILE A 77 7.319 0.847 -3.298 1.00 0.00 H new ATOM 0 HG13 ILE A 77 6.845 -0.081 -4.707 1.00 0.00 H new ATOM 0 HG21 ILE A 77 5.679 -0.711 -1.224 1.00 0.00 H new ATOM 0 HG22 ILE A 77 6.875 -1.984 -0.884 1.00 0.00 H new ATOM 0 HG23 ILE A 77 7.396 -0.288 -1.018 1.00 0.00 H new ATOM 0 HD11 ILE A 77 5.079 1.480 -4.052 1.00 0.00 H new ATOM 0 HD12 ILE A 77 4.527 -0.202 -3.866 1.00 0.00 H new ATOM 0 HD13 ILE A 77 5.008 0.740 -2.435 1.00 0.00 H new ATOM 1149 N LYS A 78 9.668 -3.049 -1.626 1.00 0.00 N ATOM 1150 CA LYS A 78 10.008 -4.249 -0.871 1.00 0.00 C ATOM 1151 C LYS A 78 10.045 -3.958 0.626 1.00 0.00 C ATOM 1152 O LYS A 78 10.946 -4.409 1.332 1.00 0.00 O ATOM 1153 CB LYS A 78 11.362 -4.796 -1.328 1.00 0.00 C ATOM 1154 CG LYS A 78 11.444 -5.044 -2.825 1.00 0.00 C ATOM 1155 CD LYS A 78 10.777 -6.353 -3.211 1.00 0.00 C ATOM 1156 CE LYS A 78 10.204 -6.293 -4.619 1.00 0.00 C ATOM 1157 NZ LYS A 78 11.223 -6.640 -5.648 1.00 0.00 N ATOM 0 H LYS A 78 10.300 -2.263 -1.475 1.00 0.00 H new ATOM 0 HA LYS A 78 9.238 -4.997 -1.059 1.00 0.00 H new ATOM 0 HB2 LYS A 78 12.144 -4.093 -1.041 1.00 0.00 H new ATOM 0 HB3 LYS A 78 11.564 -5.729 -0.802 1.00 0.00 H new ATOM 0 HG2 LYS A 78 10.967 -4.221 -3.358 1.00 0.00 H new ATOM 0 HG3 LYS A 78 12.489 -5.062 -3.135 1.00 0.00 H new ATOM 0 HD2 LYS A 78 11.502 -7.165 -3.146 1.00 0.00 H new ATOM 0 HD3 LYS A 78 9.980 -6.580 -2.502 1.00 0.00 H new ATOM 0 HE2 LYS A 78 9.361 -6.979 -4.697 1.00 0.00 H new ATOM 0 HE3 LYS A 78 9.819 -5.292 -4.812 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 10.793 -6.588 -6.594 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 12.016 -5.970 -5.591 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 11.572 -7.605 -5.479 1.00 0.00 H new ATOM 1171 N GLN A 79 9.061 -3.202 1.102 1.00 0.00 N ATOM 1172 CA GLN A 79 8.981 -2.853 2.515 1.00 0.00 C ATOM 1173 C GLN A 79 7.536 -2.870 3.000 1.00 0.00 C ATOM 1174 O GLN A 79 6.602 -2.858 2.199 1.00 0.00 O ATOM 1175 CB GLN A 79 9.596 -1.473 2.756 1.00 0.00 C ATOM 1176 CG GLN A 79 8.919 -0.360 1.972 1.00 0.00 C ATOM 1177 CD GLN A 79 9.788 0.875 1.844 1.00 0.00 C ATOM 1178 OE1 GLN A 79 10.931 0.895 2.302 1.00 0.00 O ATOM 1179 NE2 GLN A 79 9.251 1.915 1.217 1.00 0.00 N ATOM 0 H GLN A 79 8.308 -2.820 0.530 1.00 0.00 H new ATOM 0 HA GLN A 79 9.542 -3.598 3.079 1.00 0.00 H new ATOM 0 HB2 GLN A 79 9.543 -1.241 3.820 1.00 0.00 H new ATOM 0 HB3 GLN A 79 10.652 -1.504 2.489 1.00 0.00 H new ATOM 0 HG2 GLN A 79 8.664 -0.725 0.977 1.00 0.00 H new ATOM 0 HG3 GLN A 79 7.983 -0.092 2.463 1.00 0.00 H new ATOM 0 HE21 GLN A 79 8.300 1.856 0.853 1.00 0.00 H new ATOM 0 HE22 GLN A 79 9.789 2.773 1.100 1.00 0.00 H new ATOM 1188 N ASN A 80 7.358 -2.899 4.317 1.00 0.00 N ATOM 1189 CA ASN A 80 6.026 -2.919 4.909 1.00 0.00 C ATOM 1190 C ASN A 80 5.519 -1.502 5.156 1.00 0.00 C ATOM 1191 O ASN A 80 4.533 -1.298 5.865 1.00 0.00 O ATOM 1192 CB ASN A 80 6.040 -3.704 6.222 1.00 0.00 C ATOM 1193 CG ASN A 80 5.936 -5.201 6.002 1.00 0.00 C ATOM 1194 OD1 ASN A 80 6.486 -5.738 5.040 1.00 0.00 O ATOM 1195 ND2 ASN A 80 5.229 -5.882 6.896 1.00 0.00 N ATOM 0 H ASN A 80 8.120 -2.909 4.995 1.00 0.00 H new ATOM 0 HA ASN A 80 5.351 -3.410 4.207 1.00 0.00 H new ATOM 0 HB2 ASN A 80 6.959 -3.482 6.765 1.00 0.00 H new ATOM 0 HB3 ASN A 80 5.212 -3.373 6.849 1.00 0.00 H new ATOM 0 HD21 ASN A 80 5.124 -6.892 6.801 1.00 0.00 H new ATOM 0 HD22 ASN A 80 4.791 -5.395 7.678 1.00 0.00 H new ATOM 1202 N HIS A 81 6.199 -0.524 4.565 1.00 0.00 N ATOM 1203 CA HIS A 81 5.817 0.875 4.719 1.00 0.00 C ATOM 1204 C HIS A 81 6.626 1.766 3.781 1.00 0.00 C ATOM 1205 O HIS A 81 7.857 1.781 3.832 1.00 0.00 O ATOM 1206 CB HIS A 81 6.018 1.323 6.167 1.00 0.00 C ATOM 1207 CG HIS A 81 7.273 0.794 6.789 1.00 0.00 C ATOM 1208 ND1 HIS A 81 7.285 -0.247 7.694 1.00 0.00 N ATOM 1209 CD2 HIS A 81 8.565 1.168 6.631 1.00 0.00 C ATOM 1210 CE1 HIS A 81 8.528 -0.490 8.066 1.00 0.00 C ATOM 1211 NE2 HIS A 81 9.325 0.355 7.436 1.00 0.00 N ATOM 0 H HIS A 81 7.017 -0.675 3.975 1.00 0.00 H new ATOM 0 HA HIS A 81 4.762 0.969 4.460 1.00 0.00 H new ATOM 0 HB2 HIS A 81 6.036 2.412 6.202 1.00 0.00 H new ATOM 0 HB3 HIS A 81 5.163 0.999 6.761 1.00 0.00 H new ATOM 0 HD2 HIS A 81 8.930 1.958 5.991 1.00 0.00 H new ATOM 0 HE1 HIS A 81 8.841 -1.250 8.766 1.00 0.00 H new ATOM 0 HE2 HIS A 81 10.340 0.397 7.532 1.00 0.00 H new ATOM 1220 N TYR A 82 5.928 2.505 2.927 1.00 0.00 N ATOM 1221 CA TYR A 82 6.582 3.396 1.975 1.00 0.00 C ATOM 1222 C TYR A 82 6.233 4.852 2.265 1.00 0.00 C ATOM 1223 O TYR A 82 5.060 5.218 2.354 1.00 0.00 O ATOM 1224 CB TYR A 82 6.175 3.037 0.545 1.00 0.00 C ATOM 1225 CG TYR A 82 6.813 3.917 -0.505 1.00 0.00 C ATOM 1226 CD1 TYR A 82 6.460 5.255 -0.626 1.00 0.00 C ATOM 1227 CD2 TYR A 82 7.768 3.410 -1.378 1.00 0.00 C ATOM 1228 CE1 TYR A 82 7.040 6.063 -1.585 1.00 0.00 C ATOM 1229 CE2 TYR A 82 8.354 4.211 -2.338 1.00 0.00 C ATOM 1230 CZ TYR A 82 7.987 5.537 -2.438 1.00 0.00 C ATOM 1231 OH TYR A 82 8.567 6.338 -3.395 1.00 0.00 O ATOM 0 H TYR A 82 4.909 2.505 2.874 1.00 0.00 H new ATOM 0 HA TYR A 82 7.660 3.271 2.080 1.00 0.00 H new ATOM 0 HB2 TYR A 82 6.444 1.999 0.349 1.00 0.00 H new ATOM 0 HB3 TYR A 82 5.091 3.107 0.456 1.00 0.00 H new ATOM 0 HD1 TYR A 82 5.719 5.671 0.041 1.00 0.00 H new ATOM 0 HD2 TYR A 82 8.057 2.372 -1.304 1.00 0.00 H new ATOM 0 HE1 TYR A 82 6.753 7.101 -1.666 1.00 0.00 H new ATOM 0 HE2 TYR A 82 9.096 3.801 -3.007 1.00 0.00 H new ATOM 0 HH TYR A 82 9.214 5.814 -3.912 1.00 0.00 H new ATOM 1241 N THR A 83 7.262 5.682 2.411 1.00 0.00 N ATOM 1242 CA THR A 83 7.066 7.099 2.691 1.00 0.00 C ATOM 1243 C THR A 83 6.951 7.904 1.401 1.00 0.00 C ATOM 1244 O THR A 83 7.890 7.959 0.606 1.00 0.00 O ATOM 1245 CB THR A 83 8.220 7.669 3.537 1.00 0.00 C ATOM 1246 OG1 THR A 83 8.439 6.845 4.687 1.00 0.00 O ATOM 1247 CG2 THR A 83 7.916 9.093 3.978 1.00 0.00 C ATOM 0 H THR A 83 8.239 5.397 2.340 1.00 0.00 H new ATOM 0 HA THR A 83 6.136 7.184 3.253 1.00 0.00 H new ATOM 0 HB THR A 83 9.120 7.680 2.922 1.00 0.00 H new ATOM 0 HG1 THR A 83 9.175 7.214 5.218 1.00 0.00 H new ATOM 0 HG21 THR A 83 8.745 9.474 4.574 1.00 0.00 H new ATOM 0 HG22 THR A 83 7.780 9.725 3.100 1.00 0.00 H new ATOM 0 HG23 THR A 83 7.005 9.102 4.576 1.00 0.00 H new ATOM 1255 N VAL A 84 5.794 8.527 1.199 1.00 0.00 N ATOM 1256 CA VAL A 84 5.558 9.331 0.006 1.00 0.00 C ATOM 1257 C VAL A 84 5.943 10.787 0.239 1.00 0.00 C ATOM 1258 O VAL A 84 5.299 11.495 1.014 1.00 0.00 O ATOM 1259 CB VAL A 84 4.082 9.265 -0.431 1.00 0.00 C ATOM 1260 CG1 VAL A 84 3.865 10.072 -1.702 1.00 0.00 C ATOM 1261 CG2 VAL A 84 3.648 7.820 -0.626 1.00 0.00 C ATOM 0 H VAL A 84 5.006 8.490 1.846 1.00 0.00 H new ATOM 0 HA VAL A 84 6.183 8.916 -0.785 1.00 0.00 H new ATOM 0 HB VAL A 84 3.468 9.701 0.357 1.00 0.00 H new ATOM 0 HG11 VAL A 84 2.817 10.014 -1.995 1.00 0.00 H new ATOM 0 HG12 VAL A 84 4.134 11.113 -1.523 1.00 0.00 H new ATOM 0 HG13 VAL A 84 4.488 9.668 -2.500 1.00 0.00 H new ATOM 0 HG21 VAL A 84 2.603 7.792 -0.934 1.00 0.00 H new ATOM 0 HG22 VAL A 84 4.266 7.355 -1.395 1.00 0.00 H new ATOM 0 HG23 VAL A 84 3.764 7.276 0.311 1.00 0.00 H new ATOM 1271 N HIS A 85 6.998 11.230 -0.438 1.00 0.00 N ATOM 1272 CA HIS A 85 7.469 12.604 -0.306 1.00 0.00 C ATOM 1273 C HIS A 85 6.892 13.485 -1.409 1.00 0.00 C ATOM 1274 O HIS A 85 6.627 13.017 -2.516 1.00 0.00 O ATOM 1275 CB HIS A 85 8.997 12.648 -0.349 1.00 0.00 C ATOM 1276 CG HIS A 85 9.647 12.100 0.884 1.00 0.00 C ATOM 1277 ND1 HIS A 85 10.524 12.829 1.660 1.00 0.00 N ATOM 1278 CD2 HIS A 85 9.542 10.887 1.476 1.00 0.00 C ATOM 1279 CE1 HIS A 85 10.932 12.087 2.674 1.00 0.00 C ATOM 1280 NE2 HIS A 85 10.350 10.904 2.586 1.00 0.00 N ATOM 0 H HIS A 85 7.543 10.658 -1.083 1.00 0.00 H new ATOM 0 HA HIS A 85 7.129 12.987 0.656 1.00 0.00 H new ATOM 0 HB2 HIS A 85 9.344 12.083 -1.214 1.00 0.00 H new ATOM 0 HB3 HIS A 85 9.319 13.680 -0.491 1.00 0.00 H new ATOM 0 HD2 HIS A 85 8.935 10.060 1.138 1.00 0.00 H new ATOM 0 HE1 HIS A 85 11.624 12.395 3.444 1.00 0.00 H new ATOM 0 HE2 HIS A 85 10.480 10.129 3.237 1.00 0.00 H new ATOM 1289 N GLY A 86 6.699 14.764 -1.100 1.00 0.00 N ATOM 1290 CA GLY A 86 6.153 15.689 -2.075 1.00 0.00 C ATOM 1291 C GLY A 86 4.639 15.744 -2.039 1.00 0.00 C ATOM 1292 O GLY A 86 3.986 15.776 -3.083 1.00 0.00 O ATOM 0 H GLY A 86 6.911 15.176 -0.191 1.00 0.00 H new ATOM 0 HA2 GLY A 86 6.554 16.686 -1.890 1.00 0.00 H new ATOM 0 HA3 GLY A 86 6.479 15.395 -3.073 1.00 0.00 H new ATOM 1296 N LEU A 87 4.078 15.753 -0.835 1.00 0.00 N ATOM 1297 CA LEU A 87 2.629 15.803 -0.666 1.00 0.00 C ATOM 1298 C LEU A 87 2.168 17.218 -0.331 1.00 0.00 C ATOM 1299 O LEU A 87 2.966 18.155 -0.325 1.00 0.00 O ATOM 1300 CB LEU A 87 2.191 14.837 0.436 1.00 0.00 C ATOM 1301 CG LEU A 87 2.457 13.354 0.174 1.00 0.00 C ATOM 1302 CD1 LEU A 87 2.356 12.557 1.466 1.00 0.00 C ATOM 1303 CD2 LEU A 87 1.487 12.814 -0.866 1.00 0.00 C ATOM 0 H LEU A 87 4.604 15.726 0.039 1.00 0.00 H new ATOM 0 HA LEU A 87 2.168 15.504 -1.607 1.00 0.00 H new ATOM 0 HB2 LEU A 87 2.696 15.118 1.360 1.00 0.00 H new ATOM 0 HB3 LEU A 87 1.122 14.970 0.604 1.00 0.00 H new ATOM 0 HG LEU A 87 3.470 13.249 -0.215 1.00 0.00 H new ATOM 0 HD11 LEU A 87 2.548 11.504 1.260 1.00 0.00 H new ATOM 0 HD12 LEU A 87 3.091 12.927 2.180 1.00 0.00 H new ATOM 0 HD13 LEU A 87 1.356 12.668 1.885 1.00 0.00 H new ATOM 0 HD21 LEU A 87 1.691 11.757 -1.040 1.00 0.00 H new ATOM 0 HD22 LEU A 87 0.465 12.932 -0.506 1.00 0.00 H new ATOM 0 HD23 LEU A 87 1.609 13.365 -1.798 1.00 0.00 H new ATOM 1315 N GLN A 88 0.877 17.363 -0.051 1.00 0.00 N ATOM 1316 CA GLN A 88 0.311 18.664 0.286 1.00 0.00 C ATOM 1317 C GLN A 88 -0.086 18.719 1.758 1.00 0.00 C ATOM 1318 O GLN A 88 -0.679 17.779 2.287 1.00 0.00 O ATOM 1319 CB GLN A 88 -0.905 18.958 -0.593 1.00 0.00 C ATOM 1320 CG GLN A 88 -0.602 18.918 -2.083 1.00 0.00 C ATOM 1321 CD GLN A 88 0.435 19.944 -2.495 1.00 0.00 C ATOM 1322 OE1 GLN A 88 0.490 21.044 -1.946 1.00 0.00 O ATOM 1323 NE2 GLN A 88 1.267 19.587 -3.467 1.00 0.00 N ATOM 0 H GLN A 88 0.204 16.597 -0.051 1.00 0.00 H new ATOM 0 HA GLN A 88 1.073 19.422 0.105 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -1.688 18.233 -0.370 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -1.299 19.942 -0.337 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -0.249 17.922 -2.352 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -1.522 19.092 -2.642 1.00 0.00 H new ATOM 0 HE21 GLN A 88 1.186 18.665 -3.895 1.00 0.00 H new ATOM 0 HE22 GLN A 88 1.987 20.235 -3.786 1.00 0.00 H new ATOM 1332 N SER A 89 0.245 19.827 2.414 1.00 0.00 N ATOM 1333 CA SER A 89 -0.073 20.003 3.826 1.00 0.00 C ATOM 1334 C SER A 89 -1.565 20.255 4.019 1.00 0.00 C ATOM 1335 O SER A 89 -2.169 21.052 3.302 1.00 0.00 O ATOM 1336 CB SER A 89 0.732 21.165 4.411 1.00 0.00 C ATOM 1337 OG SER A 89 2.074 21.136 3.956 1.00 0.00 O ATOM 0 H SER A 89 0.733 20.616 1.990 1.00 0.00 H new ATOM 0 HA SER A 89 0.194 19.085 4.350 1.00 0.00 H new ATOM 0 HB2 SER A 89 0.269 22.111 4.128 1.00 0.00 H new ATOM 0 HB3 SER A 89 0.713 21.113 5.500 1.00 0.00 H new ATOM 0 HG SER A 89 2.189 20.395 3.325 1.00 0.00 H new ATOM 1343 N GLY A 90 -2.154 19.569 4.994 1.00 0.00 N ATOM 1344 CA GLY A 90 -3.570 19.732 5.265 1.00 0.00 C ATOM 1345 C GLY A 90 -4.434 19.366 4.075 1.00 0.00 C ATOM 1346 O GLY A 90 -5.178 20.200 3.557 1.00 0.00 O ATOM 0 H GLY A 90 -1.675 18.903 5.601 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -3.848 19.111 6.116 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -3.766 20.766 5.548 1.00 0.00 H new ATOM 1350 N THR A 91 -4.336 18.115 3.636 1.00 0.00 N ATOM 1351 CA THR A 91 -5.112 17.641 2.497 1.00 0.00 C ATOM 1352 C THR A 91 -5.384 16.145 2.601 1.00 0.00 C ATOM 1353 O THR A 91 -4.545 15.384 3.085 1.00 0.00 O ATOM 1354 CB THR A 91 -4.390 17.928 1.167 1.00 0.00 C ATOM 1355 OG1 THR A 91 -4.275 19.342 0.967 1.00 0.00 O ATOM 1356 CG2 THR A 91 -5.139 17.305 -0.001 1.00 0.00 C ATOM 0 H THR A 91 -3.726 17.411 4.053 1.00 0.00 H new ATOM 0 HA THR A 91 -6.058 18.182 2.513 1.00 0.00 H new ATOM 0 HB THR A 91 -3.395 17.486 1.217 1.00 0.00 H new ATOM 0 HG1 THR A 91 -3.813 19.516 0.120 1.00 0.00 H new ATOM 0 HG21 THR A 91 -4.610 17.521 -0.929 1.00 0.00 H new ATOM 0 HG22 THR A 91 -5.199 16.226 0.139 1.00 0.00 H new ATOM 0 HG23 THR A 91 -6.145 17.721 -0.051 1.00 0.00 H new ATOM 1364 N ARG A 92 -6.561 15.729 2.145 1.00 0.00 N ATOM 1365 CA ARG A 92 -6.943 14.323 2.188 1.00 0.00 C ATOM 1366 C ARG A 92 -6.155 13.513 1.163 1.00 0.00 C ATOM 1367 O ARG A 92 -5.818 14.012 0.088 1.00 0.00 O ATOM 1368 CB ARG A 92 -8.443 14.172 1.928 1.00 0.00 C ATOM 1369 CG ARG A 92 -9.309 14.563 3.115 1.00 0.00 C ATOM 1370 CD ARG A 92 -10.609 13.774 3.140 1.00 0.00 C ATOM 1371 NE ARG A 92 -11.466 14.166 4.255 1.00 0.00 N ATOM 1372 CZ ARG A 92 -12.341 15.164 4.194 1.00 0.00 C ATOM 1373 NH1 ARG A 92 -12.474 15.865 3.077 1.00 0.00 N ATOM 1374 NH2 ARG A 92 -13.086 15.461 5.251 1.00 0.00 N ATOM 0 H ARG A 92 -7.266 16.346 1.742 1.00 0.00 H new ATOM 0 HA ARG A 92 -6.713 13.941 3.182 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -8.718 14.786 1.070 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -8.654 13.137 1.660 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -8.759 14.390 4.040 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -9.530 15.629 3.070 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -11.143 13.925 2.202 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -10.386 12.710 3.211 1.00 0.00 H new ATOM 0 HE ARG A 92 -11.389 13.645 5.129 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -11.904 15.639 2.262 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -13.146 16.631 3.032 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -12.987 14.923 6.112 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -13.757 16.227 5.203 1.00 0.00 H new ATOM 1388 N TYR A 93 -5.863 12.263 1.502 1.00 0.00 N ATOM 1389 CA TYR A 93 -5.111 11.385 0.612 1.00 0.00 C ATOM 1390 C TYR A 93 -5.562 9.936 0.769 1.00 0.00 C ATOM 1391 O TYR A 93 -5.415 9.340 1.836 1.00 0.00 O ATOM 1392 CB TYR A 93 -3.613 11.498 0.896 1.00 0.00 C ATOM 1393 CG TYR A 93 -2.913 12.540 0.052 1.00 0.00 C ATOM 1394 CD1 TYR A 93 -2.448 12.233 -1.220 1.00 0.00 C ATOM 1395 CD2 TYR A 93 -2.720 13.831 0.527 1.00 0.00 C ATOM 1396 CE1 TYR A 93 -1.808 13.181 -1.995 1.00 0.00 C ATOM 1397 CE2 TYR A 93 -2.082 14.786 -0.241 1.00 0.00 C ATOM 1398 CZ TYR A 93 -1.628 14.456 -1.501 1.00 0.00 C ATOM 1399 OH TYR A 93 -0.992 15.404 -2.270 1.00 0.00 O ATOM 0 H TYR A 93 -6.135 11.834 2.386 1.00 0.00 H new ATOM 0 HA TYR A 93 -5.304 11.698 -0.414 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -3.469 11.739 1.949 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -3.145 10.529 0.724 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -2.589 11.236 -1.610 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -3.075 14.093 1.513 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -1.451 12.925 -2.982 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -1.940 15.785 0.143 1.00 0.00 H new ATOM 0 HH TYR A 93 -0.735 15.009 -3.130 1.00 0.00 H new ATOM 1409 N ILE A 94 -6.111 9.375 -0.304 1.00 0.00 N ATOM 1410 CA ILE A 94 -6.581 7.995 -0.287 1.00 0.00 C ATOM 1411 C ILE A 94 -5.487 7.036 -0.743 1.00 0.00 C ATOM 1412 O ILE A 94 -5.012 7.112 -1.877 1.00 0.00 O ATOM 1413 CB ILE A 94 -7.817 7.811 -1.187 1.00 0.00 C ATOM 1414 CG1 ILE A 94 -9.002 8.606 -0.632 1.00 0.00 C ATOM 1415 CG2 ILE A 94 -8.171 6.337 -1.306 1.00 0.00 C ATOM 1416 CD1 ILE A 94 -10.251 8.498 -1.478 1.00 0.00 C ATOM 0 H ILE A 94 -6.241 9.854 -1.195 1.00 0.00 H new ATOM 0 HA ILE A 94 -6.854 7.767 0.743 1.00 0.00 H new ATOM 0 HB ILE A 94 -7.583 8.190 -2.182 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -9.224 8.255 0.376 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -8.718 9.655 -0.549 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -9.047 6.224 -1.945 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -7.331 5.795 -1.741 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -8.389 5.934 -0.317 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -11.049 9.086 -1.025 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -10.046 8.876 -2.480 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -10.559 7.454 -1.540 1.00 0.00 H new ATOM 1428 N PHE A 95 -5.092 6.131 0.146 1.00 0.00 N ATOM 1429 CA PHE A 95 -4.054 5.155 -0.165 1.00 0.00 C ATOM 1430 C PHE A 95 -4.652 3.762 -0.336 1.00 0.00 C ATOM 1431 O PHE A 95 -5.550 3.364 0.407 1.00 0.00 O ATOM 1432 CB PHE A 95 -2.995 5.136 0.939 1.00 0.00 C ATOM 1433 CG PHE A 95 -2.202 6.408 1.031 1.00 0.00 C ATOM 1434 CD1 PHE A 95 -2.719 7.517 1.682 1.00 0.00 C ATOM 1435 CD2 PHE A 95 -0.940 6.496 0.466 1.00 0.00 C ATOM 1436 CE1 PHE A 95 -1.992 8.689 1.769 1.00 0.00 C ATOM 1437 CE2 PHE A 95 -0.208 7.665 0.550 1.00 0.00 C ATOM 1438 CZ PHE A 95 -0.735 8.763 1.201 1.00 0.00 C ATOM 0 H PHE A 95 -5.475 6.053 1.088 1.00 0.00 H new ATOM 0 HA PHE A 95 -3.584 5.448 -1.104 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -3.483 4.951 1.896 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -2.313 4.304 0.763 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -3.702 7.465 2.127 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -0.524 5.641 -0.046 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -2.406 9.546 2.280 1.00 0.00 H new ATOM 0 HE2 PHE A 95 0.775 7.720 0.107 1.00 0.00 H new ATOM 0 HZ PHE A 95 -0.165 9.678 1.266 1.00 0.00 H new ATOM 1448 N ILE A 96 -4.148 3.025 -1.320 1.00 0.00 N ATOM 1449 CA ILE A 96 -4.631 1.677 -1.589 1.00 0.00 C ATOM 1450 C ILE A 96 -3.494 0.765 -2.038 1.00 0.00 C ATOM 1451 O ILE A 96 -3.015 0.862 -3.168 1.00 0.00 O ATOM 1452 CB ILE A 96 -5.730 1.677 -2.668 1.00 0.00 C ATOM 1453 CG1 ILE A 96 -6.975 2.407 -2.159 1.00 0.00 C ATOM 1454 CG2 ILE A 96 -6.074 0.252 -3.074 1.00 0.00 C ATOM 1455 CD1 ILE A 96 -7.775 3.075 -3.255 1.00 0.00 C ATOM 0 H ILE A 96 -3.405 3.339 -1.944 1.00 0.00 H new ATOM 0 HA ILE A 96 -5.050 1.300 -0.656 1.00 0.00 H new ATOM 0 HB ILE A 96 -5.356 2.204 -3.546 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -7.614 1.696 -1.636 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -6.673 3.160 -1.431 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -6.852 0.269 -3.837 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -5.185 -0.237 -3.473 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -6.431 -0.298 -2.204 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -8.642 3.572 -2.821 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -7.152 3.810 -3.764 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -8.108 2.324 -3.971 1.00 0.00 H new ATOM 1467 N VAL A 97 -3.068 -0.123 -1.145 1.00 0.00 N ATOM 1468 CA VAL A 97 -1.989 -1.055 -1.450 1.00 0.00 C ATOM 1469 C VAL A 97 -2.513 -2.279 -2.192 1.00 0.00 C ATOM 1470 O VAL A 97 -3.552 -2.837 -1.836 1.00 0.00 O ATOM 1471 CB VAL A 97 -1.266 -1.515 -0.170 1.00 0.00 C ATOM 1472 CG1 VAL A 97 -0.233 -2.584 -0.494 1.00 0.00 C ATOM 1473 CG2 VAL A 97 -0.618 -0.330 0.531 1.00 0.00 C ATOM 0 H VAL A 97 -3.453 -0.216 -0.205 1.00 0.00 H new ATOM 0 HA VAL A 97 -1.282 -0.523 -2.087 1.00 0.00 H new ATOM 0 HB VAL A 97 -2.002 -1.949 0.506 1.00 0.00 H new ATOM 0 HG11 VAL A 97 0.267 -2.896 0.423 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -0.728 -3.443 -0.948 1.00 0.00 H new ATOM 0 HG13 VAL A 97 0.503 -2.180 -1.189 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -0.112 -0.673 1.433 1.00 0.00 H new ATOM 0 HG22 VAL A 97 0.107 0.136 -0.137 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -1.384 0.397 0.799 1.00 0.00 H new ATOM 1483 N LYS A 98 -1.788 -2.694 -3.225 1.00 0.00 N ATOM 1484 CA LYS A 98 -2.178 -3.854 -4.018 1.00 0.00 C ATOM 1485 C LYS A 98 -0.996 -4.796 -4.222 1.00 0.00 C ATOM 1486 O LYS A 98 -0.024 -4.451 -4.894 1.00 0.00 O ATOM 1487 CB LYS A 98 -2.728 -3.408 -5.375 1.00 0.00 C ATOM 1488 CG LYS A 98 -3.038 -4.561 -6.314 1.00 0.00 C ATOM 1489 CD LYS A 98 -3.094 -4.102 -7.761 1.00 0.00 C ATOM 1490 CE LYS A 98 -1.711 -3.759 -8.291 1.00 0.00 C ATOM 1491 NZ LYS A 98 -1.740 -3.423 -9.742 1.00 0.00 N ATOM 0 H LYS A 98 -0.926 -2.244 -3.533 1.00 0.00 H new ATOM 0 HA LYS A 98 -2.957 -4.389 -3.475 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -3.636 -2.826 -5.216 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -2.004 -2.747 -5.852 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -2.277 -5.334 -6.206 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -3.991 -5.011 -6.037 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -3.536 -4.886 -8.376 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -3.743 -3.230 -7.842 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -1.306 -2.916 -7.731 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -1.040 -4.602 -8.127 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -0.778 -3.195 -10.065 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -2.102 -4.236 -10.280 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -2.360 -2.603 -9.896 1.00 0.00 H new ATOM 1505 N ALA A 99 -1.086 -5.986 -3.638 1.00 0.00 N ATOM 1506 CA ALA A 99 -0.026 -6.979 -3.759 1.00 0.00 C ATOM 1507 C ALA A 99 -0.043 -7.636 -5.135 1.00 0.00 C ATOM 1508 O ALA A 99 -1.107 -7.848 -5.718 1.00 0.00 O ATOM 1509 CB ALA A 99 -0.160 -8.030 -2.667 1.00 0.00 C ATOM 0 H ALA A 99 -1.883 -6.286 -3.076 1.00 0.00 H new ATOM 0 HA ALA A 99 0.930 -6.470 -3.641 1.00 0.00 H new ATOM 0 HB1 ALA A 99 0.638 -8.765 -2.770 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -0.089 -7.551 -1.690 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -1.125 -8.528 -2.758 1.00 0.00 H new ATOM 1515 N ILE A 100 1.140 -7.957 -5.647 1.00 0.00 N ATOM 1516 CA ILE A 100 1.259 -8.591 -6.954 1.00 0.00 C ATOM 1517 C ILE A 100 2.186 -9.800 -6.896 1.00 0.00 C ATOM 1518 O ILE A 100 3.261 -9.743 -6.302 1.00 0.00 O ATOM 1519 CB ILE A 100 1.787 -7.604 -8.013 1.00 0.00 C ATOM 1520 CG1 ILE A 100 0.830 -6.419 -8.158 1.00 0.00 C ATOM 1521 CG2 ILE A 100 1.973 -8.309 -9.348 1.00 0.00 C ATOM 1522 CD1 ILE A 100 1.520 -5.130 -8.548 1.00 0.00 C ATOM 0 H ILE A 100 2.029 -7.789 -5.177 1.00 0.00 H new ATOM 0 HA ILE A 100 0.258 -8.916 -7.239 1.00 0.00 H new ATOM 0 HB ILE A 100 2.756 -7.227 -7.686 1.00 0.00 H new ATOM 0 HG12 ILE A 100 0.077 -6.660 -8.908 1.00 0.00 H new ATOM 0 HG13 ILE A 100 0.304 -6.269 -7.215 1.00 0.00 H new ATOM 0 HG21 ILE A 100 2.346 -7.599 -10.086 1.00 0.00 H new ATOM 0 HG22 ILE A 100 2.689 -9.123 -9.233 1.00 0.00 H new ATOM 0 HG23 ILE A 100 1.017 -8.711 -9.683 1.00 0.00 H new ATOM 0 HD11 ILE A 100 0.781 -4.333 -8.633 1.00 0.00 H new ATOM 0 HD12 ILE A 100 2.254 -4.865 -7.787 1.00 0.00 H new ATOM 0 HD13 ILE A 100 2.023 -5.262 -9.506 1.00 0.00 H new ATOM 1534 N ASN A 101 1.761 -10.895 -7.520 1.00 0.00 N ATOM 1535 CA ASN A 101 2.554 -12.119 -7.540 1.00 0.00 C ATOM 1536 C ASN A 101 2.369 -12.865 -8.858 1.00 0.00 C ATOM 1537 O ASN A 101 1.468 -12.554 -9.637 1.00 0.00 O ATOM 1538 CB ASN A 101 2.164 -13.023 -6.370 1.00 0.00 C ATOM 1539 CG ASN A 101 0.739 -13.530 -6.481 1.00 0.00 C ATOM 1540 OD1 ASN A 101 -0.048 -13.031 -7.285 1.00 0.00 O ATOM 1541 ND2 ASN A 101 0.401 -14.528 -5.672 1.00 0.00 N ATOM 0 H ASN A 101 0.873 -10.959 -8.018 1.00 0.00 H new ATOM 0 HA ASN A 101 3.604 -11.844 -7.443 1.00 0.00 H new ATOM 0 HB2 ASN A 101 2.846 -13.872 -6.327 1.00 0.00 H new ATOM 0 HB3 ASN A 101 2.280 -12.474 -5.436 1.00 0.00 H new ATOM 0 HD21 ASN A 101 -0.544 -14.911 -5.702 1.00 0.00 H new ATOM 0 HD22 ASN A 101 1.086 -14.911 -5.021 1.00 0.00 H new ATOM 1548 N GLN A 102 3.228 -13.850 -9.100 1.00 0.00 N ATOM 1549 CA GLN A 102 3.158 -14.640 -10.323 1.00 0.00 C ATOM 1550 C GLN A 102 1.713 -14.985 -10.667 1.00 0.00 C ATOM 1551 O GLN A 102 1.324 -14.977 -11.835 1.00 0.00 O ATOM 1552 CB GLN A 102 3.980 -15.922 -10.175 1.00 0.00 C ATOM 1553 CG GLN A 102 3.649 -16.980 -11.215 1.00 0.00 C ATOM 1554 CD GLN A 102 4.704 -18.066 -11.299 1.00 0.00 C ATOM 1555 OE1 GLN A 102 4.734 -18.983 -10.477 1.00 0.00 O ATOM 1556 NE2 GLN A 102 5.577 -17.968 -12.294 1.00 0.00 N ATOM 0 H GLN A 102 3.980 -14.120 -8.466 1.00 0.00 H new ATOM 0 HA GLN A 102 3.572 -14.043 -11.135 1.00 0.00 H new ATOM 0 HB2 GLN A 102 5.039 -15.675 -10.245 1.00 0.00 H new ATOM 0 HB3 GLN A 102 3.814 -16.337 -9.181 1.00 0.00 H new ATOM 0 HG2 GLN A 102 2.686 -17.432 -10.975 1.00 0.00 H new ATOM 0 HG3 GLN A 102 3.544 -16.505 -12.190 1.00 0.00 H new ATOM 0 HE21 GLN A 102 5.515 -17.191 -12.952 1.00 0.00 H new ATOM 0 HE22 GLN A 102 6.310 -18.669 -12.400 1.00 0.00 H new ATOM 1565 N ALA A 103 0.922 -15.288 -9.643 1.00 0.00 N ATOM 1566 CA ALA A 103 -0.480 -15.635 -9.837 1.00 0.00 C ATOM 1567 C ALA A 103 -1.271 -14.445 -10.371 1.00 0.00 C ATOM 1568 O ALA A 103 -1.678 -14.429 -11.532 1.00 0.00 O ATOM 1569 CB ALA A 103 -1.086 -16.131 -8.532 1.00 0.00 C ATOM 0 H ALA A 103 1.229 -15.300 -8.670 1.00 0.00 H new ATOM 0 HA ALA A 103 -0.532 -16.434 -10.576 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -2.134 -16.387 -8.691 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -0.545 -17.014 -8.192 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -1.014 -15.348 -7.777 1.00 0.00 H new ATOM 1575 N GLY A 104 -1.485 -13.450 -9.515 1.00 0.00 N ATOM 1576 CA GLY A 104 -2.227 -12.271 -9.920 1.00 0.00 C ATOM 1577 C GLY A 104 -1.962 -11.081 -9.018 1.00 0.00 C ATOM 1578 O GLY A 104 -0.815 -10.798 -8.675 1.00 0.00 O ATOM 0 H GLY A 104 -1.158 -13.440 -8.549 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -1.961 -12.012 -10.945 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -3.293 -12.497 -9.915 1.00 0.00 H new ATOM 1582 N SER A 105 -3.026 -10.383 -8.635 1.00 0.00 N ATOM 1583 CA SER A 105 -2.902 -9.214 -7.772 1.00 0.00 C ATOM 1584 C SER A 105 -4.198 -8.965 -7.006 1.00 0.00 C ATOM 1585 O SER A 105 -5.283 -9.315 -7.469 1.00 0.00 O ATOM 1586 CB SER A 105 -2.540 -7.979 -8.600 1.00 0.00 C ATOM 1587 OG SER A 105 -1.615 -8.304 -9.622 1.00 0.00 O ATOM 0 H SER A 105 -3.983 -10.606 -8.908 1.00 0.00 H new ATOM 0 HA SER A 105 -2.106 -9.406 -7.052 1.00 0.00 H new ATOM 0 HB2 SER A 105 -3.442 -7.557 -9.043 1.00 0.00 H new ATOM 0 HB3 SER A 105 -2.115 -7.214 -7.951 1.00 0.00 H new ATOM 0 HG SER A 105 -1.522 -7.544 -10.233 1.00 0.00 H new ATOM 1593 N ARG A 106 -4.075 -8.356 -5.830 1.00 0.00 N ATOM 1594 CA ARG A 106 -5.235 -8.061 -4.998 1.00 0.00 C ATOM 1595 C ARG A 106 -5.160 -6.641 -4.446 1.00 0.00 C ATOM 1596 O ARG A 106 -4.171 -6.258 -3.823 1.00 0.00 O ATOM 1597 CB ARG A 106 -5.332 -9.063 -3.847 1.00 0.00 C ATOM 1598 CG ARG A 106 -6.703 -9.107 -3.191 1.00 0.00 C ATOM 1599 CD ARG A 106 -7.701 -9.879 -4.040 1.00 0.00 C ATOM 1600 NE ARG A 106 -7.430 -11.314 -4.035 1.00 0.00 N ATOM 1601 CZ ARG A 106 -8.381 -12.241 -4.071 1.00 0.00 C ATOM 1602 NH1 ARG A 106 -9.657 -11.886 -4.115 1.00 0.00 N ATOM 1603 NH2 ARG A 106 -8.055 -13.528 -4.064 1.00 0.00 N ATOM 0 H ARG A 106 -3.184 -8.058 -5.433 1.00 0.00 H new ATOM 0 HA ARG A 106 -6.127 -8.145 -5.619 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -5.085 -10.057 -4.220 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -4.586 -8.811 -3.093 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -6.623 -9.572 -2.208 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -7.066 -8.091 -3.034 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -8.709 -9.699 -3.667 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -7.669 -9.508 -5.064 1.00 0.00 H new ATOM 0 HE ARG A 106 -6.458 -11.621 -4.002 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -9.912 -10.898 -4.121 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -10.384 -12.600 -4.143 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -7.074 -13.805 -4.031 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -8.786 -14.239 -4.092 1.00 0.00 H new ATOM 1617 N ASN A 107 -6.213 -5.864 -4.679 1.00 0.00 N ATOM 1618 CA ASN A 107 -6.266 -4.485 -4.206 1.00 0.00 C ATOM 1619 C ASN A 107 -6.993 -4.397 -2.867 1.00 0.00 C ATOM 1620 O ASN A 107 -8.050 -5.000 -2.683 1.00 0.00 O ATOM 1621 CB ASN A 107 -6.964 -3.597 -5.237 1.00 0.00 C ATOM 1622 CG ASN A 107 -6.193 -3.507 -6.540 1.00 0.00 C ATOM 1623 OD1 ASN A 107 -5.867 -4.524 -7.152 1.00 0.00 O ATOM 1624 ND2 ASN A 107 -5.896 -2.286 -6.970 1.00 0.00 N ATOM 0 H ASN A 107 -7.041 -6.166 -5.192 1.00 0.00 H new ATOM 0 HA ASN A 107 -5.243 -4.135 -4.068 1.00 0.00 H new ATOM 0 HB2 ASN A 107 -7.961 -3.990 -5.435 1.00 0.00 H new ATOM 0 HB3 ASN A 107 -7.091 -2.596 -4.824 1.00 0.00 H new ATOM 0 HD21 ASN A 107 -5.378 -2.164 -7.840 1.00 0.00 H new ATOM 0 HD22 ASN A 107 -6.186 -1.471 -6.430 1.00 0.00 H new ATOM 1631 N SER A 108 -6.418 -3.642 -1.937 1.00 0.00 N ATOM 1632 CA SER A 108 -7.009 -3.477 -0.614 1.00 0.00 C ATOM 1633 C SER A 108 -8.038 -2.351 -0.615 1.00 0.00 C ATOM 1634 O SER A 108 -8.238 -1.681 -1.627 1.00 0.00 O ATOM 1635 CB SER A 108 -5.921 -3.189 0.422 1.00 0.00 C ATOM 1636 OG SER A 108 -5.404 -1.878 0.267 1.00 0.00 O ATOM 0 H SER A 108 -5.544 -3.135 -2.075 1.00 0.00 H new ATOM 0 HA SER A 108 -7.514 -4.406 -0.351 1.00 0.00 H new ATOM 0 HB2 SER A 108 -6.330 -3.306 1.426 1.00 0.00 H new ATOM 0 HB3 SER A 108 -5.115 -3.916 0.319 1.00 0.00 H new ATOM 0 HG SER A 108 -4.719 -1.877 -0.434 1.00 0.00 H new ATOM 1642 N GLU A 109 -8.687 -2.149 0.528 1.00 0.00 N ATOM 1643 CA GLU A 109 -9.696 -1.104 0.658 1.00 0.00 C ATOM 1644 C GLU A 109 -9.044 0.272 0.750 1.00 0.00 C ATOM 1645 O GLU A 109 -7.917 0.424 1.221 1.00 0.00 O ATOM 1646 CB GLU A 109 -10.563 -1.354 1.894 1.00 0.00 C ATOM 1647 CG GLU A 109 -11.614 -2.432 1.693 1.00 0.00 C ATOM 1648 CD GLU A 109 -12.893 -1.893 1.082 1.00 0.00 C ATOM 1649 OE1 GLU A 109 -13.218 -0.714 1.332 1.00 0.00 O ATOM 1650 OE2 GLU A 109 -13.569 -2.651 0.355 1.00 0.00 O ATOM 0 H GLU A 109 -8.532 -2.694 1.376 1.00 0.00 H new ATOM 0 HA GLU A 109 -10.327 -1.129 -0.231 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -9.920 -1.637 2.727 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -11.058 -0.424 2.174 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -11.209 -3.213 1.049 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -11.842 -2.896 2.653 1.00 0.00 H new ATOM 1657 N PRO A 110 -9.770 1.302 0.289 1.00 0.00 N ATOM 1658 CA PRO A 110 -9.284 2.685 0.307 1.00 0.00 C ATOM 1659 C PRO A 110 -9.199 3.250 1.721 1.00 0.00 C ATOM 1660 O PRO A 110 -10.194 3.290 2.446 1.00 0.00 O ATOM 1661 CB PRO A 110 -10.334 3.441 -0.510 1.00 0.00 C ATOM 1662 CG PRO A 110 -11.575 2.626 -0.379 1.00 0.00 C ATOM 1663 CD PRO A 110 -11.122 1.195 -0.286 1.00 0.00 C ATOM 0 HA PRO A 110 -8.274 2.768 -0.093 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -10.481 4.451 -0.127 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -10.031 3.536 -1.553 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -12.140 2.915 0.507 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -12.231 2.773 -1.237 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -11.783 0.605 0.349 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -11.106 0.714 -1.264 1.00 0.00 H new ATOM 1671 N THR A 111 -8.005 3.688 2.108 1.00 0.00 N ATOM 1672 CA THR A 111 -7.791 4.251 3.435 1.00 0.00 C ATOM 1673 C THR A 111 -7.646 5.767 3.372 1.00 0.00 C ATOM 1674 O THR A 111 -6.627 6.285 2.914 1.00 0.00 O ATOM 1675 CB THR A 111 -6.537 3.655 4.102 1.00 0.00 C ATOM 1676 OG1 THR A 111 -6.704 2.245 4.287 1.00 0.00 O ATOM 1677 CG2 THR A 111 -6.271 4.319 5.444 1.00 0.00 C ATOM 0 H THR A 111 -7.171 3.664 1.521 1.00 0.00 H new ATOM 0 HA THR A 111 -8.667 3.997 4.031 1.00 0.00 H new ATOM 0 HB THR A 111 -5.684 3.837 3.449 1.00 0.00 H new ATOM 0 HG1 THR A 111 -6.335 1.983 5.156 1.00 0.00 H new ATOM 0 HG21 THR A 111 -5.381 3.882 5.896 1.00 0.00 H new ATOM 0 HG22 THR A 111 -6.116 5.388 5.297 1.00 0.00 H new ATOM 0 HG23 THR A 111 -7.126 4.164 6.102 1.00 0.00 H new ATOM 1685 N ARG A 112 -8.671 6.475 3.835 1.00 0.00 N ATOM 1686 CA ARG A 112 -8.658 7.932 3.831 1.00 0.00 C ATOM 1687 C ARG A 112 -7.730 8.471 4.916 1.00 0.00 C ATOM 1688 O ARG A 112 -7.925 8.205 6.103 1.00 0.00 O ATOM 1689 CB ARG A 112 -10.073 8.477 4.038 1.00 0.00 C ATOM 1690 CG ARG A 112 -11.006 8.208 2.870 1.00 0.00 C ATOM 1691 CD ARG A 112 -12.033 9.318 2.710 1.00 0.00 C ATOM 1692 NE ARG A 112 -13.066 9.260 3.741 1.00 0.00 N ATOM 1693 CZ ARG A 112 -13.982 8.301 3.811 1.00 0.00 C ATOM 1694 NH1 ARG A 112 -13.992 7.323 2.915 1.00 0.00 N ATOM 1695 NH2 ARG A 112 -14.889 8.317 4.779 1.00 0.00 N ATOM 0 H ARG A 112 -9.522 6.062 4.218 1.00 0.00 H new ATOM 0 HA ARG A 112 -8.286 8.264 2.862 1.00 0.00 H new ATOM 0 HB2 ARG A 112 -10.496 8.033 4.939 1.00 0.00 H new ATOM 0 HB3 ARG A 112 -10.018 9.552 4.208 1.00 0.00 H new ATOM 0 HG2 ARG A 112 -10.425 8.114 1.953 1.00 0.00 H new ATOM 0 HG3 ARG A 112 -11.517 7.257 3.023 1.00 0.00 H new ATOM 0 HD2 ARG A 112 -11.532 10.285 2.753 1.00 0.00 H new ATOM 0 HD3 ARG A 112 -12.497 9.243 1.727 1.00 0.00 H new ATOM 0 HE ARG A 112 -13.085 9.997 4.446 1.00 0.00 H new ATOM 0 HH11 ARG A 112 -13.295 7.306 2.170 1.00 0.00 H new ATOM 0 HH12 ARG A 112 -14.696 6.587 2.971 1.00 0.00 H new ATOM 0 HH21 ARG A 112 -14.883 9.067 5.471 1.00 0.00 H new ATOM 0 HH22 ARG A 112 -15.592 7.580 4.831 1.00 0.00 H new ATOM 1709 N LEU A 113 -6.721 9.229 4.501 1.00 0.00 N ATOM 1710 CA LEU A 113 -5.762 9.805 5.437 1.00 0.00 C ATOM 1711 C LEU A 113 -5.622 11.308 5.218 1.00 0.00 C ATOM 1712 O LEU A 113 -5.975 11.827 4.159 1.00 0.00 O ATOM 1713 CB LEU A 113 -4.399 9.126 5.284 1.00 0.00 C ATOM 1714 CG LEU A 113 -4.390 7.602 5.411 1.00 0.00 C ATOM 1715 CD1 LEU A 113 -3.063 7.035 4.931 1.00 0.00 C ATOM 1716 CD2 LEU A 113 -4.662 7.185 6.849 1.00 0.00 C ATOM 0 H LEU A 113 -6.546 9.459 3.523 1.00 0.00 H new ATOM 0 HA LEU A 113 -6.133 9.637 6.448 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -3.991 9.392 4.309 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -3.724 9.537 6.035 1.00 0.00 H new ATOM 0 HG LEU A 113 -5.183 7.199 4.781 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -3.075 5.949 5.029 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -2.909 7.304 3.886 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -2.253 7.445 5.534 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -4.652 6.097 6.921 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -3.892 7.599 7.500 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -5.638 7.560 7.158 1.00 0.00 H new ATOM 1728 N LYS A 114 -5.101 12.001 6.224 1.00 0.00 N ATOM 1729 CA LYS A 114 -4.910 13.445 6.141 1.00 0.00 C ATOM 1730 C LYS A 114 -3.539 13.844 6.677 1.00 0.00 C ATOM 1731 O LYS A 114 -2.991 13.185 7.562 1.00 0.00 O ATOM 1732 CB LYS A 114 -6.007 14.171 6.924 1.00 0.00 C ATOM 1733 CG LYS A 114 -7.216 14.536 6.080 1.00 0.00 C ATOM 1734 CD LYS A 114 -7.062 15.910 5.451 1.00 0.00 C ATOM 1735 CE LYS A 114 -7.222 17.017 6.482 1.00 0.00 C ATOM 1736 NZ LYS A 114 -7.016 18.366 5.886 1.00 0.00 N ATOM 0 H LYS A 114 -4.803 11.587 7.107 1.00 0.00 H new ATOM 0 HA LYS A 114 -4.969 13.735 5.092 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -6.329 13.540 7.752 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -5.591 15.079 7.359 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -7.353 13.790 5.297 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -8.113 14.517 6.700 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -6.082 15.988 4.981 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -7.804 16.036 4.663 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -8.218 16.963 6.921 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -6.508 16.865 7.291 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -6.256 18.859 6.397 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -6.753 18.267 4.885 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -7.896 18.916 5.960 1.00 0.00 H new ATOM 1750 N THR A 115 -2.990 14.927 6.137 1.00 0.00 N ATOM 1751 CA THR A 115 -1.683 15.414 6.562 1.00 0.00 C ATOM 1752 C THR A 115 -1.820 16.507 7.616 1.00 0.00 C ATOM 1753 O THR A 115 -2.909 17.033 7.841 1.00 0.00 O ATOM 1754 CB THR A 115 -0.875 15.963 5.371 1.00 0.00 C ATOM 1755 OG1 THR A 115 -1.674 16.883 4.619 1.00 0.00 O ATOM 1756 CG2 THR A 115 -0.407 14.833 4.467 1.00 0.00 C ATOM 0 H THR A 115 -3.430 15.484 5.404 1.00 0.00 H new ATOM 0 HA THR A 115 -1.152 14.564 6.991 1.00 0.00 H new ATOM 0 HB THR A 115 0.001 16.480 5.763 1.00 0.00 H new ATOM 0 HG1 THR A 115 -1.346 16.923 3.696 1.00 0.00 H new ATOM 0 HG21 THR A 115 0.161 15.246 3.633 1.00 0.00 H new ATOM 0 HG22 THR A 115 0.226 14.151 5.035 1.00 0.00 H new ATOM 0 HG23 THR A 115 -1.272 14.292 4.084 1.00 0.00 H new ATOM 1764 N ASN A 116 -0.706 16.844 8.259 1.00 0.00 N ATOM 1765 CA ASN A 116 -0.702 17.876 9.290 1.00 0.00 C ATOM 1766 C ASN A 116 -0.817 19.265 8.670 1.00 0.00 C ATOM 1767 O ASN A 116 -0.592 19.443 7.473 1.00 0.00 O ATOM 1768 CB ASN A 116 0.574 17.783 10.128 1.00 0.00 C ATOM 1769 CG ASN A 116 0.686 16.464 10.868 1.00 0.00 C ATOM 1770 OD1 ASN A 116 -0.296 15.960 11.413 1.00 0.00 O ATOM 1771 ND2 ASN A 116 1.887 15.898 10.890 1.00 0.00 N ATOM 0 H ASN A 116 0.204 16.418 8.084 1.00 0.00 H new ATOM 0 HA ASN A 116 -1.565 17.714 9.935 1.00 0.00 H new ATOM 0 HB2 ASN A 116 1.441 17.907 9.479 1.00 0.00 H new ATOM 0 HB3 ASN A 116 0.594 18.602 10.847 1.00 0.00 H new ATOM 0 HD21 ASN A 116 2.023 15.010 11.372 1.00 0.00 H new ATOM 0 HD22 ASN A 116 2.673 16.352 10.425 1.00 0.00 H new