USER MOD reduce.3.24.130724 H: found=0, std=0, add=764, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 765 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 91 ASN : amide:sc= -2.43! C(o=-2.1!,f=-7.7!) USER MOD Set 1.2: A 110 SER OG : rot 180:sc= 0.298 USER MOD Set 2.1: A 98 THR OG1 : rot 124:sc= -0.556 USER MOD Set 2.2: A 100 ASN : amide:sc= 0.0719 K(o=-0.48,f=-1.3) USER MOD Set 3.1: A 76 GLN : amide:sc= -2.41! C(o=-3.9!,f=-4.9!) USER MOD Set 3.2: A 79 GLN : amide:sc= -1.44! C(o=-3.9!,f=-4.9!) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc= -3.51! C(o=-3.5!,f=-11!) USER MOD Single : A 24 ASN : amide:sc=-0.00353 X(o=-0.0035,f=0) USER MOD Single : A 26 SER OG : rot 7:sc= 1.13 USER MOD Single : A 31 ASN : amide:sc= -3.14 X(o=-3.1,f=-2.7!) USER MOD Single : A 32 SER OG : rot -130:sc= 0.267 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot 42:sc= -3.58! USER MOD Single : A 36 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 38 HIS : no HD1:sc= -0.337 K(o=-0.34,f=-1.4) USER MOD Single : A 40 GLN : amide:sc= -2.98 X(o=-3,f=-3.4) USER MOD Single : A 46 THR OG1 : rot -27:sc= -0.491 USER MOD Single : A 47 GLN : amide:sc= 0 K(o=0,f=-0.87) USER MOD Single : A 48 ASN : amide:sc= -2.72! C(o=-2.7!,f=-9.3!) USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 TYR OH : rot 80:sc= -0.781 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot -33:sc= 0.875 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 88 THR OG1 : rot 69:sc= 0.545 USER MOD Single : A 90 TYR OH : rot 90:sc= 0.0568 USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 106 THR OG1 : rot 90:sc= 0.366 USER MOD Single : A 113 THR OG1 : rot 169:sc= 0.937 USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 200 N VAL A 17 -2.480 12.461 -4.342 1.00 0.00 N ATOM 201 CA VAL A 17 -2.558 11.012 -4.197 1.00 0.00 C ATOM 202 C VAL A 17 -1.818 10.307 -5.328 1.00 0.00 C ATOM 203 O VAL A 17 -1.760 10.787 -6.460 1.00 0.00 O ATOM 204 CB VAL A 17 -4.020 10.528 -4.175 1.00 0.00 C ATOM 205 CG1 VAL A 17 -4.625 10.719 -2.793 1.00 0.00 C ATOM 206 CG2 VAL A 17 -4.838 11.258 -5.230 1.00 0.00 C ATOM 0 HA VAL A 17 -2.086 10.763 -3.246 1.00 0.00 H new ATOM 0 HB VAL A 17 -4.036 9.463 -4.408 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -5.658 10.371 -2.797 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -4.052 10.147 -2.063 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -4.599 11.776 -2.527 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -5.868 10.904 -5.201 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -4.817 12.329 -5.030 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -4.416 11.064 -6.216 1.00 0.00 H new ATOM 216 N PRO A 18 -1.236 9.139 -5.016 1.00 0.00 N ATOM 217 CA PRO A 18 -0.489 8.341 -5.993 1.00 0.00 C ATOM 218 C PRO A 18 -1.397 7.720 -7.050 1.00 0.00 C ATOM 219 O PRO A 18 -1.762 6.548 -6.957 1.00 0.00 O ATOM 220 CB PRO A 18 0.160 7.250 -5.138 1.00 0.00 C ATOM 221 CG PRO A 18 -0.724 7.128 -3.945 1.00 0.00 C ATOM 222 CD PRO A 18 -1.264 8.507 -3.687 1.00 0.00 C ATOM 0 HA PRO A 18 0.226 8.945 -6.552 1.00 0.00 H new ATOM 0 HB2 PRO A 18 0.224 6.307 -5.681 1.00 0.00 H new ATOM 0 HB3 PRO A 18 1.176 7.523 -4.852 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -1.532 6.420 -4.129 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -0.168 6.759 -3.083 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -2.274 8.473 -3.280 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -0.649 9.052 -2.970 1.00 0.00 H new ATOM 230 N SER A 19 -1.757 8.512 -8.054 1.00 0.00 N ATOM 231 CA SER A 19 -2.625 8.041 -9.127 1.00 0.00 C ATOM 232 C SER A 19 -1.886 7.060 -10.032 1.00 0.00 C ATOM 233 O SER A 19 -1.584 7.368 -11.184 1.00 0.00 O ATOM 234 CB SER A 19 -3.142 9.222 -9.950 1.00 0.00 C ATOM 235 OG SER A 19 -4.368 8.904 -10.585 1.00 0.00 O ATOM 0 H SER A 19 -1.461 9.484 -8.147 1.00 0.00 H new ATOM 0 HA SER A 19 -3.472 7.525 -8.675 1.00 0.00 H new ATOM 0 HB2 SER A 19 -3.278 10.088 -9.303 1.00 0.00 H new ATOM 0 HB3 SER A 19 -2.401 9.498 -10.700 1.00 0.00 H new ATOM 0 HG SER A 19 -4.678 9.676 -11.103 1.00 0.00 H new ATOM 241 N ALA A 20 -1.596 5.877 -9.500 1.00 0.00 N ATOM 242 CA ALA A 20 -0.894 4.849 -10.260 1.00 0.00 C ATOM 243 C ALA A 20 -0.805 3.548 -9.470 1.00 0.00 C ATOM 244 O ALA A 20 -0.260 3.517 -8.367 1.00 0.00 O ATOM 245 CB ALA A 20 0.496 5.334 -10.643 1.00 0.00 C ATOM 0 H ALA A 20 -1.836 5.607 -8.546 1.00 0.00 H new ATOM 0 HA ALA A 20 -1.461 4.652 -11.170 1.00 0.00 H new ATOM 0 HB1 ALA A 20 1.009 4.557 -11.210 1.00 0.00 H new ATOM 0 HB2 ALA A 20 0.412 6.233 -11.253 1.00 0.00 H new ATOM 0 HB3 ALA A 20 1.064 5.560 -9.741 1.00 0.00 H new ATOM 251 N ALA A 21 -1.343 2.476 -10.041 1.00 0.00 N ATOM 252 CA ALA A 21 -1.322 1.172 -9.391 1.00 0.00 C ATOM 253 C ALA A 21 -0.064 0.393 -9.761 1.00 0.00 C ATOM 254 O ALA A 21 0.631 0.713 -10.726 1.00 0.00 O ATOM 255 CB ALA A 21 -2.565 0.377 -9.762 1.00 0.00 C ATOM 0 H ALA A 21 -1.799 2.485 -10.953 1.00 0.00 H new ATOM 0 HA ALA A 21 -1.314 1.332 -8.313 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -2.536 -0.595 -9.269 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -3.454 0.920 -9.441 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -2.597 0.235 -10.842 1.00 0.00 H new ATOM 261 N PRO A 22 0.237 -0.653 -8.978 1.00 0.00 N ATOM 262 CA PRO A 22 1.413 -1.498 -9.205 1.00 0.00 C ATOM 263 C PRO A 22 1.280 -2.352 -10.461 1.00 0.00 C ATOM 264 O PRO A 22 0.197 -2.844 -10.775 1.00 0.00 O ATOM 265 CB PRO A 22 1.458 -2.385 -7.958 1.00 0.00 C ATOM 266 CG PRO A 22 0.050 -2.430 -7.474 1.00 0.00 C ATOM 267 CD PRO A 22 -0.546 -1.092 -7.811 1.00 0.00 C ATOM 0 HA PRO A 22 2.316 -0.907 -9.358 1.00 0.00 H new ATOM 0 HB2 PRO A 22 1.827 -3.383 -8.195 1.00 0.00 H new ATOM 0 HB3 PRO A 22 2.124 -1.970 -7.201 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -0.503 -3.236 -7.956 1.00 0.00 H new ATOM 0 HG3 PRO A 22 0.012 -2.615 -6.400 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -1.607 -1.173 -8.047 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -0.456 -0.392 -6.981 1.00 0.00 H new ATOM 275 N GLN A 23 2.388 -2.523 -11.175 1.00 0.00 N ATOM 276 CA GLN A 23 2.393 -3.318 -12.398 1.00 0.00 C ATOM 277 C GLN A 23 3.025 -4.685 -12.156 1.00 0.00 C ATOM 278 O GLN A 23 3.488 -4.979 -11.055 1.00 0.00 O ATOM 279 CB GLN A 23 3.149 -2.583 -13.506 1.00 0.00 C ATOM 280 CG GLN A 23 3.054 -1.069 -13.406 1.00 0.00 C ATOM 281 CD GLN A 23 4.165 -0.468 -12.569 1.00 0.00 C ATOM 282 OE1 GLN A 23 4.461 -0.946 -11.473 1.00 0.00 O ATOM 283 NE2 GLN A 23 4.789 0.587 -13.081 1.00 0.00 N ATOM 0 H GLN A 23 3.293 -2.122 -10.928 1.00 0.00 H new ATOM 0 HA GLN A 23 1.359 -3.466 -12.709 1.00 0.00 H new ATOM 0 HB2 GLN A 23 4.198 -2.876 -13.474 1.00 0.00 H new ATOM 0 HB3 GLN A 23 2.759 -2.900 -14.473 1.00 0.00 H new ATOM 0 HG2 GLN A 23 3.086 -0.640 -14.407 1.00 0.00 H new ATOM 0 HG3 GLN A 23 2.091 -0.797 -12.974 1.00 0.00 H new ATOM 0 HE21 GLN A 23 4.512 0.951 -13.993 1.00 0.00 H new ATOM 0 HE22 GLN A 23 5.545 1.033 -12.562 1.00 0.00 H new ATOM 292 N ASN A 24 3.038 -5.517 -13.192 1.00 0.00 N ATOM 293 CA ASN A 24 3.612 -6.854 -13.092 1.00 0.00 C ATOM 294 C ASN A 24 2.982 -7.631 -11.940 1.00 0.00 C ATOM 295 O ASN A 24 3.681 -8.271 -11.152 1.00 0.00 O ATOM 296 CB ASN A 24 5.127 -6.768 -12.895 1.00 0.00 C ATOM 297 CG ASN A 24 5.867 -6.537 -14.199 1.00 0.00 C ATOM 298 OD1 ASN A 24 6.511 -7.443 -14.728 1.00 0.00 O ATOM 299 ND2 ASN A 24 5.778 -5.320 -14.722 1.00 0.00 N ATOM 0 H ASN A 24 2.658 -5.289 -14.111 1.00 0.00 H new ATOM 0 HA ASN A 24 3.403 -7.383 -14.022 1.00 0.00 H new ATOM 0 HB2 ASN A 24 5.355 -5.958 -12.202 1.00 0.00 H new ATOM 0 HB3 ASN A 24 5.484 -7.690 -12.436 1.00 0.00 H new ATOM 0 HD21 ASN A 24 6.255 -5.105 -15.598 1.00 0.00 H new ATOM 0 HD22 ASN A 24 5.233 -4.600 -14.248 1.00 0.00 H new ATOM 306 N LEU A 25 1.658 -7.572 -11.848 1.00 0.00 N ATOM 307 CA LEU A 25 0.932 -8.270 -10.793 1.00 0.00 C ATOM 308 C LEU A 25 0.895 -9.772 -11.060 1.00 0.00 C ATOM 309 O LEU A 25 0.888 -10.207 -12.212 1.00 0.00 O ATOM 310 CB LEU A 25 -0.492 -7.725 -10.680 1.00 0.00 C ATOM 311 CG LEU A 25 -1.368 -8.356 -9.596 1.00 0.00 C ATOM 312 CD1 LEU A 25 -0.736 -8.172 -8.225 1.00 0.00 C ATOM 313 CD2 LEU A 25 -2.767 -7.757 -9.626 1.00 0.00 C ATOM 0 H LEU A 25 1.065 -7.048 -12.492 1.00 0.00 H new ATOM 0 HA LEU A 25 1.455 -8.100 -9.852 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -0.436 -6.652 -10.495 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -0.988 -7.857 -11.642 1.00 0.00 H new ATOM 0 HG LEU A 25 -1.448 -9.425 -9.796 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -1.373 -8.627 -7.467 1.00 0.00 H new ATOM 0 HD12 LEU A 25 0.244 -8.649 -8.209 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -0.625 -7.108 -8.015 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -3.377 -8.217 -8.848 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -2.707 -6.683 -9.451 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -3.221 -7.941 -10.600 1.00 0.00 H new ATOM 325 N SER A 26 0.869 -10.558 -9.989 1.00 0.00 N ATOM 326 CA SER A 26 0.834 -12.011 -10.107 1.00 0.00 C ATOM 327 C SER A 26 0.388 -12.652 -8.797 1.00 0.00 C ATOM 328 O SER A 26 0.463 -12.035 -7.733 1.00 0.00 O ATOM 329 CB SER A 26 2.210 -12.545 -10.507 1.00 0.00 C ATOM 330 OG SER A 26 2.458 -12.334 -11.887 1.00 0.00 O ATOM 0 H SER A 26 0.872 -10.213 -9.029 1.00 0.00 H new ATOM 0 HA SER A 26 0.113 -12.270 -10.882 1.00 0.00 H new ATOM 0 HB2 SER A 26 2.981 -12.051 -9.916 1.00 0.00 H new ATOM 0 HB3 SER A 26 2.270 -13.610 -10.282 1.00 0.00 H new ATOM 0 HG SER A 26 1.735 -11.794 -12.270 1.00 0.00 H new ATOM 336 N LEU A 27 -0.076 -13.894 -8.881 1.00 0.00 N ATOM 337 CA LEU A 27 -0.534 -14.621 -7.702 1.00 0.00 C ATOM 338 C LEU A 27 0.084 -16.015 -7.648 1.00 0.00 C ATOM 339 O LEU A 27 -0.413 -16.949 -8.276 1.00 0.00 O ATOM 340 CB LEU A 27 -2.060 -14.728 -7.706 1.00 0.00 C ATOM 341 CG LEU A 27 -2.821 -13.451 -8.066 1.00 0.00 C ATOM 342 CD1 LEU A 27 -4.321 -13.704 -8.061 1.00 0.00 C ATOM 343 CD2 LEU A 27 -2.464 -12.328 -7.104 1.00 0.00 C ATOM 0 H LEU A 27 -0.145 -14.419 -9.753 1.00 0.00 H new ATOM 0 HA LEU A 27 -0.216 -14.068 -6.818 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -2.348 -15.509 -8.410 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -2.384 -15.054 -6.718 1.00 0.00 H new ATOM 0 HG LEU A 27 -2.528 -13.148 -9.071 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -4.846 -12.784 -8.319 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -4.562 -14.477 -8.791 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -4.631 -14.032 -7.069 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -3.015 -11.427 -7.376 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -2.727 -12.622 -6.088 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -1.394 -12.129 -7.158 1.00 0.00 H new ATOM 355 N GLU A 28 1.168 -16.146 -6.890 1.00 0.00 N ATOM 356 CA GLU A 28 1.853 -17.426 -6.753 1.00 0.00 C ATOM 357 C GLU A 28 1.163 -18.303 -5.712 1.00 0.00 C ATOM 358 O GLU A 28 1.468 -18.231 -4.522 1.00 0.00 O ATOM 359 CB GLU A 28 3.316 -17.208 -6.362 1.00 0.00 C ATOM 360 CG GLU A 28 4.187 -18.439 -6.552 1.00 0.00 C ATOM 361 CD GLU A 28 4.733 -18.555 -7.962 1.00 0.00 C ATOM 362 OE1 GLU A 28 4.046 -19.155 -8.816 1.00 0.00 O ATOM 363 OE2 GLU A 28 5.845 -18.047 -8.212 1.00 0.00 O ATOM 0 H GLU A 28 1.590 -15.382 -6.362 1.00 0.00 H new ATOM 0 HA GLU A 28 1.814 -17.935 -7.716 1.00 0.00 H new ATOM 0 HB2 GLU A 28 3.724 -16.390 -6.955 1.00 0.00 H new ATOM 0 HB3 GLU A 28 3.362 -16.898 -5.318 1.00 0.00 H new ATOM 0 HG2 GLU A 28 5.017 -18.405 -5.847 1.00 0.00 H new ATOM 0 HG3 GLU A 28 3.606 -19.331 -6.317 1.00 0.00 H new ATOM 370 N VAL A 29 0.229 -19.132 -6.170 1.00 0.00 N ATOM 371 CA VAL A 29 -0.505 -20.023 -5.281 1.00 0.00 C ATOM 372 C VAL A 29 0.432 -21.020 -4.606 1.00 0.00 C ATOM 373 O VAL A 29 0.752 -22.066 -5.170 1.00 0.00 O ATOM 374 CB VAL A 29 -1.599 -20.797 -6.039 1.00 0.00 C ATOM 375 CG1 VAL A 29 -2.470 -21.581 -5.069 1.00 0.00 C ATOM 376 CG2 VAL A 29 -2.442 -19.845 -6.875 1.00 0.00 C ATOM 0 H VAL A 29 -0.036 -19.204 -7.152 1.00 0.00 H new ATOM 0 HA VAL A 29 -0.973 -19.397 -4.522 1.00 0.00 H new ATOM 0 HB VAL A 29 -1.117 -21.507 -6.711 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -3.237 -22.121 -5.624 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -1.853 -22.291 -4.518 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -2.945 -20.893 -4.369 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -3.210 -20.409 -7.404 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -2.915 -19.110 -6.224 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -1.805 -19.334 -7.597 1.00 0.00 H new ATOM 386 N ARG A 30 0.867 -20.688 -3.395 1.00 0.00 N ATOM 387 CA ARG A 30 1.767 -21.553 -2.643 1.00 0.00 C ATOM 388 C ARG A 30 1.045 -22.813 -2.174 1.00 0.00 C ATOM 389 O ARG A 30 1.552 -23.923 -2.325 1.00 0.00 O ATOM 390 CB ARG A 30 2.343 -20.804 -1.440 1.00 0.00 C ATOM 391 CG ARG A 30 3.114 -19.549 -1.816 1.00 0.00 C ATOM 392 CD ARG A 30 4.541 -19.875 -2.229 1.00 0.00 C ATOM 393 NE ARG A 30 5.232 -20.678 -1.224 1.00 0.00 N ATOM 394 CZ ARG A 30 5.783 -20.169 -0.129 1.00 0.00 C ATOM 395 NH1 ARG A 30 5.724 -18.865 0.102 1.00 0.00 N ATOM 396 NH2 ARG A 30 6.395 -20.965 0.739 1.00 0.00 N ATOM 0 H ARG A 30 0.611 -19.826 -2.914 1.00 0.00 H new ATOM 0 HA ARG A 30 2.583 -21.847 -3.303 1.00 0.00 H new ATOM 0 HB2 ARG A 30 1.529 -20.532 -0.768 1.00 0.00 H new ATOM 0 HB3 ARG A 30 3.002 -21.473 -0.888 1.00 0.00 H new ATOM 0 HG2 ARG A 30 2.605 -19.039 -2.634 1.00 0.00 H new ATOM 0 HG3 ARG A 30 3.127 -18.861 -0.970 1.00 0.00 H new ATOM 0 HD2 ARG A 30 4.530 -20.412 -3.177 1.00 0.00 H new ATOM 0 HD3 ARG A 30 5.091 -18.949 -2.394 1.00 0.00 H new ATOM 0 HE ARG A 30 5.295 -21.685 -1.372 1.00 0.00 H new ATOM 0 HH11 ARG A 30 5.254 -18.250 -0.563 1.00 0.00 H new ATOM 0 HH12 ARG A 30 6.148 -18.477 0.944 1.00 0.00 H new ATOM 0 HH21 ARG A 30 6.442 -21.969 0.565 1.00 0.00 H new ATOM 0 HH22 ARG A 30 6.818 -20.573 1.580 1.00 0.00 H new ATOM 410 N ASN A 31 -0.141 -22.630 -1.603 1.00 0.00 N ATOM 411 CA ASN A 31 -0.933 -23.752 -1.110 1.00 0.00 C ATOM 412 C ASN A 31 -2.420 -23.518 -1.357 1.00 0.00 C ATOM 413 O ASN A 31 -2.833 -22.419 -1.727 1.00 0.00 O ATOM 414 CB ASN A 31 -0.680 -23.964 0.384 1.00 0.00 C ATOM 415 CG ASN A 31 0.722 -23.558 0.796 1.00 0.00 C ATOM 416 OD1 ASN A 31 1.705 -23.956 0.171 1.00 0.00 O ATOM 417 ND2 ASN A 31 0.820 -22.762 1.855 1.00 0.00 N ATOM 0 H ASN A 31 -0.575 -21.716 -1.470 1.00 0.00 H new ATOM 0 HA ASN A 31 -0.629 -24.646 -1.654 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -1.406 -23.388 0.958 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -0.839 -25.014 0.631 1.00 0.00 H new ATOM 0 HD21 ASN A 31 1.737 -22.456 2.180 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -0.022 -22.456 2.343 1.00 0.00 H new ATOM 424 N SER A 32 -3.219 -24.560 -1.150 1.00 0.00 N ATOM 425 CA SER A 32 -4.661 -24.469 -1.353 1.00 0.00 C ATOM 426 C SER A 32 -5.305 -23.587 -0.288 1.00 0.00 C ATOM 427 O SER A 32 -6.477 -23.223 -0.392 1.00 0.00 O ATOM 428 CB SER A 32 -5.289 -25.864 -1.325 1.00 0.00 C ATOM 429 OG SER A 32 -4.563 -26.767 -2.140 1.00 0.00 O ATOM 0 H SER A 32 -2.893 -25.476 -0.842 1.00 0.00 H new ATOM 0 HA SER A 32 -4.839 -24.017 -2.329 1.00 0.00 H new ATOM 0 HB2 SER A 32 -5.314 -26.234 -0.300 1.00 0.00 H new ATOM 0 HB3 SER A 32 -6.322 -25.808 -1.669 1.00 0.00 H new ATOM 0 HG SER A 32 -5.180 -27.234 -2.741 1.00 0.00 H new ATOM 435 N LYS A 33 -4.531 -23.245 0.736 1.00 0.00 N ATOM 436 CA LYS A 33 -5.023 -22.404 1.821 1.00 0.00 C ATOM 437 C LYS A 33 -4.287 -21.069 1.851 1.00 0.00 C ATOM 438 O LYS A 33 -4.698 -20.138 2.543 1.00 0.00 O ATOM 439 CB LYS A 33 -4.858 -23.120 3.163 1.00 0.00 C ATOM 440 CG LYS A 33 -3.409 -23.345 3.559 1.00 0.00 C ATOM 441 CD LYS A 33 -3.251 -23.440 5.068 1.00 0.00 C ATOM 442 CE LYS A 33 -4.283 -24.377 5.677 1.00 0.00 C ATOM 443 NZ LYS A 33 -4.068 -24.563 7.139 1.00 0.00 N ATOM 0 H LYS A 33 -3.559 -23.538 0.838 1.00 0.00 H new ATOM 0 HA LYS A 33 -6.082 -22.211 1.647 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -5.352 -22.536 3.940 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -5.367 -24.083 3.116 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -3.042 -24.261 3.096 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -2.796 -22.528 3.179 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -2.249 -23.795 5.309 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -3.353 -22.448 5.509 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -5.283 -23.978 5.505 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -4.235 -25.344 5.177 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -4.791 -25.208 7.517 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -3.124 -24.968 7.302 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -4.139 -23.644 7.620 1.00 0.00 H new ATOM 457 N SER A 34 -3.197 -20.982 1.095 1.00 0.00 N ATOM 458 CA SER A 34 -2.402 -19.761 1.038 1.00 0.00 C ATOM 459 C SER A 34 -2.236 -19.288 -0.403 1.00 0.00 C ATOM 460 O SER A 34 -2.337 -20.078 -1.343 1.00 0.00 O ATOM 461 CB SER A 34 -1.029 -19.991 1.672 1.00 0.00 C ATOM 462 OG SER A 34 -0.166 -18.892 1.433 1.00 0.00 O ATOM 0 H SER A 34 -2.844 -21.742 0.514 1.00 0.00 H new ATOM 0 HA SER A 34 -2.928 -18.988 1.598 1.00 0.00 H new ATOM 0 HB2 SER A 34 -1.141 -20.142 2.746 1.00 0.00 H new ATOM 0 HB3 SER A 34 -0.586 -20.900 1.267 1.00 0.00 H new ATOM 0 HG SER A 34 -0.663 -18.055 1.548 1.00 0.00 H new ATOM 468 N ILE A 35 -1.981 -17.995 -0.569 1.00 0.00 N ATOM 469 CA ILE A 35 -1.800 -17.416 -1.895 1.00 0.00 C ATOM 470 C ILE A 35 -0.880 -16.201 -1.844 1.00 0.00 C ATOM 471 O ILE A 35 -1.260 -15.144 -1.341 1.00 0.00 O ATOM 472 CB ILE A 35 -3.147 -17.001 -2.516 1.00 0.00 C ATOM 473 CG1 ILE A 35 -3.946 -18.238 -2.930 1.00 0.00 C ATOM 474 CG2 ILE A 35 -2.919 -16.087 -3.711 1.00 0.00 C ATOM 475 CD1 ILE A 35 -5.295 -17.913 -3.532 1.00 0.00 C ATOM 0 H ILE A 35 -1.895 -17.328 0.198 1.00 0.00 H new ATOM 0 HA ILE A 35 -1.345 -18.187 -2.517 1.00 0.00 H new ATOM 0 HB ILE A 35 -3.722 -16.454 -1.769 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -3.364 -18.812 -3.651 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -4.091 -18.876 -2.058 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -3.880 -15.802 -4.140 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -2.386 -15.193 -3.389 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -2.328 -16.611 -4.462 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -5.805 -18.838 -3.802 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -5.895 -17.366 -2.805 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -5.158 -17.301 -4.423 1.00 0.00 H new ATOM 487 N MET A 36 0.330 -16.360 -2.368 1.00 0.00 N ATOM 488 CA MET A 36 1.304 -15.274 -2.385 1.00 0.00 C ATOM 489 C MET A 36 0.987 -14.277 -3.496 1.00 0.00 C ATOM 490 O MET A 36 0.577 -14.663 -4.591 1.00 0.00 O ATOM 491 CB MET A 36 2.717 -15.830 -2.571 1.00 0.00 C ATOM 492 CG MET A 36 3.782 -14.753 -2.700 1.00 0.00 C ATOM 493 SD MET A 36 3.878 -13.694 -1.244 1.00 0.00 S ATOM 494 CE MET A 36 5.335 -14.356 -0.440 1.00 0.00 C ATOM 0 H MET A 36 0.660 -17.230 -2.787 1.00 0.00 H new ATOM 0 HA MET A 36 1.249 -14.755 -1.428 1.00 0.00 H new ATOM 0 HB2 MET A 36 2.961 -16.471 -1.724 1.00 0.00 H new ATOM 0 HB3 MET A 36 2.737 -16.458 -3.462 1.00 0.00 H new ATOM 0 HG2 MET A 36 4.751 -15.224 -2.867 1.00 0.00 H new ATOM 0 HG3 MET A 36 3.570 -14.141 -3.577 1.00 0.00 H new ATOM 0 HE1 MET A 36 5.526 -13.803 0.480 1.00 0.00 H new ATOM 0 HE2 MET A 36 5.174 -15.408 -0.204 1.00 0.00 H new ATOM 0 HE3 MET A 36 6.193 -14.261 -1.106 1.00 0.00 H new ATOM 504 N ILE A 37 1.180 -12.995 -3.206 1.00 0.00 N ATOM 505 CA ILE A 37 0.916 -11.944 -4.181 1.00 0.00 C ATOM 506 C ILE A 37 2.190 -11.181 -4.526 1.00 0.00 C ATOM 507 O ILE A 37 2.829 -10.591 -3.655 1.00 0.00 O ATOM 508 CB ILE A 37 -0.140 -10.949 -3.663 1.00 0.00 C ATOM 509 CG1 ILE A 37 -1.193 -11.678 -2.827 1.00 0.00 C ATOM 510 CG2 ILE A 37 -0.794 -10.218 -4.826 1.00 0.00 C ATOM 511 CD1 ILE A 37 -2.284 -10.771 -2.303 1.00 0.00 C ATOM 0 H ILE A 37 1.518 -12.659 -2.304 1.00 0.00 H new ATOM 0 HA ILE A 37 0.535 -12.433 -5.077 1.00 0.00 H new ATOM 0 HB ILE A 37 0.356 -10.214 -3.029 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -1.645 -12.464 -3.432 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -0.702 -12.166 -1.985 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -1.538 -9.519 -4.444 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -0.035 -9.671 -5.385 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -1.279 -10.940 -5.483 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -2.995 -11.356 -1.720 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -1.844 -10.000 -1.671 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -2.801 -10.302 -3.140 1.00 0.00 H new ATOM 523 N HIS A 38 2.554 -11.197 -5.805 1.00 0.00 N ATOM 524 CA HIS A 38 3.752 -10.504 -6.267 1.00 0.00 C ATOM 525 C HIS A 38 3.386 -9.327 -7.166 1.00 0.00 C ATOM 526 O HIS A 38 2.814 -9.509 -8.241 1.00 0.00 O ATOM 527 CB HIS A 38 4.667 -11.471 -7.019 1.00 0.00 C ATOM 528 CG HIS A 38 5.230 -12.557 -6.156 1.00 0.00 C ATOM 529 ND1 HIS A 38 6.195 -12.332 -5.197 1.00 0.00 N ATOM 530 CD2 HIS A 38 4.957 -13.882 -6.109 1.00 0.00 C ATOM 531 CE1 HIS A 38 6.493 -13.472 -4.599 1.00 0.00 C ATOM 532 NE2 HIS A 38 5.755 -14.428 -5.134 1.00 0.00 N ATOM 0 H HIS A 38 2.037 -11.682 -6.539 1.00 0.00 H new ATOM 0 HA HIS A 38 4.280 -10.120 -5.394 1.00 0.00 H new ATOM 0 HB2 HIS A 38 4.109 -11.923 -7.839 1.00 0.00 H new ATOM 0 HB3 HIS A 38 5.488 -10.909 -7.464 1.00 0.00 H new ATOM 0 HD2 HIS A 38 4.244 -14.411 -6.724 1.00 0.00 H new ATOM 0 HE1 HIS A 38 7.217 -13.600 -3.808 1.00 0.00 H new ATOM 0 HE2 HIS A 38 5.775 -15.412 -4.866 1.00 0.00 H new ATOM 541 N TRP A 39 3.718 -8.122 -6.719 1.00 0.00 N ATOM 542 CA TRP A 39 3.424 -6.915 -7.483 1.00 0.00 C ATOM 543 C TRP A 39 4.639 -5.996 -7.540 1.00 0.00 C ATOM 544 O TRP A 39 5.502 -6.040 -6.663 1.00 0.00 O ATOM 545 CB TRP A 39 2.236 -6.173 -6.867 1.00 0.00 C ATOM 546 CG TRP A 39 2.538 -5.581 -5.524 1.00 0.00 C ATOM 547 CD1 TRP A 39 3.087 -4.356 -5.273 1.00 0.00 C ATOM 548 CD2 TRP A 39 2.310 -6.189 -4.248 1.00 0.00 C ATOM 549 NE1 TRP A 39 3.214 -4.166 -3.918 1.00 0.00 N ATOM 550 CE2 TRP A 39 2.744 -5.275 -3.267 1.00 0.00 C ATOM 551 CE3 TRP A 39 1.780 -7.415 -3.838 1.00 0.00 C ATOM 552 CZ2 TRP A 39 2.663 -5.552 -1.905 1.00 0.00 C ATOM 553 CZ3 TRP A 39 1.702 -7.689 -2.486 1.00 0.00 C ATOM 554 CH2 TRP A 39 2.140 -6.760 -1.532 1.00 0.00 C ATOM 0 H TRP A 39 4.191 -7.954 -5.831 1.00 0.00 H new ATOM 0 HA TRP A 39 3.170 -7.213 -8.500 1.00 0.00 H new ATOM 0 HB2 TRP A 39 1.922 -5.379 -7.544 1.00 0.00 H new ATOM 0 HB3 TRP A 39 1.396 -6.861 -6.772 1.00 0.00 H new ATOM 0 HD1 TRP A 39 3.379 -3.641 -6.029 1.00 0.00 H new ATOM 0 HE1 TRP A 39 3.597 -3.333 -3.470 1.00 0.00 H new ATOM 0 HE3 TRP A 39 1.437 -8.136 -4.565 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 3.001 -4.838 -1.169 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 1.297 -8.635 -2.159 1.00 0.00 H new ATOM 0 HH2 TRP A 39 2.063 -7.002 -0.482 1.00 0.00 H new ATOM 565 N GLN A 40 4.700 -5.165 -8.575 1.00 0.00 N ATOM 566 CA GLN A 40 5.811 -4.237 -8.745 1.00 0.00 C ATOM 567 C GLN A 40 5.355 -2.797 -8.528 1.00 0.00 C ATOM 568 O GLN A 40 4.193 -2.450 -8.738 1.00 0.00 O ATOM 569 CB GLN A 40 6.420 -4.386 -10.140 1.00 0.00 C ATOM 570 CG GLN A 40 7.341 -5.588 -10.276 1.00 0.00 C ATOM 571 CD GLN A 40 6.942 -6.735 -9.368 1.00 0.00 C ATOM 572 OE1 GLN A 40 6.076 -7.540 -9.709 1.00 0.00 O ATOM 573 NE2 GLN A 40 7.574 -6.814 -8.202 1.00 0.00 N ATOM 0 H GLN A 40 3.993 -5.115 -9.309 1.00 0.00 H new ATOM 0 HA GLN A 40 6.568 -4.476 -7.999 1.00 0.00 H new ATOM 0 HB2 GLN A 40 5.616 -4.470 -10.871 1.00 0.00 H new ATOM 0 HB3 GLN A 40 6.978 -3.482 -10.382 1.00 0.00 H new ATOM 0 HG2 GLN A 40 7.335 -5.930 -11.311 1.00 0.00 H new ATOM 0 HG3 GLN A 40 8.363 -5.286 -10.046 1.00 0.00 H new ATOM 0 HE21 GLN A 40 8.286 -6.125 -7.960 1.00 0.00 H new ATOM 0 HE22 GLN A 40 7.347 -7.564 -7.549 1.00 0.00 H new ATOM 582 N PRO A 41 6.291 -1.939 -8.096 1.00 0.00 N ATOM 583 CA PRO A 41 6.009 -0.523 -7.841 1.00 0.00 C ATOM 584 C PRO A 41 5.746 0.256 -9.125 1.00 0.00 C ATOM 585 O PRO A 41 6.344 -0.002 -10.170 1.00 0.00 O ATOM 586 CB PRO A 41 7.288 -0.023 -7.165 1.00 0.00 C ATOM 587 CG PRO A 41 8.356 -0.944 -7.645 1.00 0.00 C ATOM 588 CD PRO A 41 7.697 -2.284 -7.825 1.00 0.00 C ATOM 0 HA PRO A 41 5.111 -0.388 -7.238 1.00 0.00 H new ATOM 0 HB2 PRO A 41 7.503 1.010 -7.440 1.00 0.00 H new ATOM 0 HB3 PRO A 41 7.199 -0.052 -6.079 1.00 0.00 H new ATOM 0 HG2 PRO A 41 8.784 -0.590 -8.583 1.00 0.00 H new ATOM 0 HG3 PRO A 41 9.172 -1.004 -6.925 1.00 0.00 H new ATOM 0 HD2 PRO A 41 8.140 -2.842 -8.650 1.00 0.00 H new ATOM 0 HD3 PRO A 41 7.794 -2.903 -6.933 1.00 0.00 H new ATOM 596 N PRO A 42 4.830 1.233 -9.049 1.00 0.00 N ATOM 597 CA PRO A 42 4.469 2.071 -10.196 1.00 0.00 C ATOM 598 C PRO A 42 5.592 3.021 -10.598 1.00 0.00 C ATOM 599 O PRO A 42 6.590 3.151 -9.890 1.00 0.00 O ATOM 600 CB PRO A 42 3.256 2.858 -9.692 1.00 0.00 C ATOM 601 CG PRO A 42 3.416 2.893 -8.211 1.00 0.00 C ATOM 602 CD PRO A 42 4.078 1.596 -7.836 1.00 0.00 C ATOM 0 HA PRO A 42 4.269 1.477 -11.088 1.00 0.00 H new ATOM 0 HB2 PRO A 42 3.234 3.864 -10.112 1.00 0.00 H new ATOM 0 HB3 PRO A 42 2.323 2.373 -9.978 1.00 0.00 H new ATOM 0 HG2 PRO A 42 4.023 3.744 -7.904 1.00 0.00 H new ATOM 0 HG3 PRO A 42 2.450 2.996 -7.716 1.00 0.00 H new ATOM 0 HD2 PRO A 42 4.737 1.715 -6.976 1.00 0.00 H new ATOM 0 HD3 PRO A 42 3.346 0.832 -7.574 1.00 0.00 H new ATOM 610 N ALA A 43 5.421 3.682 -11.737 1.00 0.00 N ATOM 611 CA ALA A 43 6.420 4.623 -12.231 1.00 0.00 C ATOM 612 C ALA A 43 6.717 5.702 -11.196 1.00 0.00 C ATOM 613 O ALA A 43 5.875 6.049 -10.367 1.00 0.00 O ATOM 614 CB ALA A 43 5.952 5.253 -13.535 1.00 0.00 C ATOM 0 H ALA A 43 4.601 3.584 -12.336 1.00 0.00 H new ATOM 0 HA ALA A 43 7.342 4.072 -12.417 1.00 0.00 H new ATOM 0 HB1 ALA A 43 6.707 5.953 -13.892 1.00 0.00 H new ATOM 0 HB2 ALA A 43 5.798 4.473 -14.281 1.00 0.00 H new ATOM 0 HB3 ALA A 43 5.015 5.784 -13.367 1.00 0.00 H new ATOM 620 N PRO A 44 7.942 6.247 -11.243 1.00 0.00 N ATOM 621 CA PRO A 44 8.378 7.295 -10.315 1.00 0.00 C ATOM 622 C PRO A 44 7.671 8.623 -10.568 1.00 0.00 C ATOM 623 O PRO A 44 7.468 9.413 -9.647 1.00 0.00 O ATOM 624 CB PRO A 44 9.875 7.423 -10.604 1.00 0.00 C ATOM 625 CG PRO A 44 10.033 6.952 -12.008 1.00 0.00 C ATOM 626 CD PRO A 44 8.995 5.881 -12.204 1.00 0.00 C ATOM 0 HA PRO A 44 8.150 7.044 -9.279 1.00 0.00 H new ATOM 0 HB2 PRO A 44 10.213 8.453 -10.492 1.00 0.00 H new ATOM 0 HB3 PRO A 44 10.464 6.818 -9.915 1.00 0.00 H new ATOM 0 HG2 PRO A 44 9.887 7.770 -12.713 1.00 0.00 H new ATOM 0 HG3 PRO A 44 11.036 6.560 -12.178 1.00 0.00 H new ATOM 0 HD2 PRO A 44 8.619 5.868 -13.227 1.00 0.00 H new ATOM 0 HD3 PRO A 44 9.398 4.889 -12.000 1.00 0.00 H new ATOM 634 N ALA A 45 7.299 8.861 -11.821 1.00 0.00 N ATOM 635 CA ALA A 45 6.613 10.092 -12.194 1.00 0.00 C ATOM 636 C ALA A 45 5.173 10.091 -11.691 1.00 0.00 C ATOM 637 O ALA A 45 4.511 11.130 -11.668 1.00 0.00 O ATOM 638 CB ALA A 45 6.646 10.279 -13.703 1.00 0.00 C ATOM 0 H ALA A 45 7.461 8.217 -12.595 1.00 0.00 H new ATOM 0 HA ALA A 45 7.135 10.926 -11.725 1.00 0.00 H new ATOM 0 HB1 ALA A 45 6.130 11.202 -13.967 1.00 0.00 H new ATOM 0 HB2 ALA A 45 7.681 10.333 -14.040 1.00 0.00 H new ATOM 0 HB3 ALA A 45 6.151 9.436 -14.185 1.00 0.00 H new ATOM 644 N THR A 46 4.692 8.919 -11.288 1.00 0.00 N ATOM 645 CA THR A 46 3.330 8.783 -10.787 1.00 0.00 C ATOM 646 C THR A 46 3.321 8.304 -9.340 1.00 0.00 C ATOM 647 O THR A 46 2.555 7.412 -8.978 1.00 0.00 O ATOM 648 CB THR A 46 2.511 7.801 -11.646 1.00 0.00 C ATOM 649 OG1 THR A 46 2.992 6.466 -11.457 1.00 0.00 O ATOM 650 CG2 THR A 46 2.594 8.172 -13.119 1.00 0.00 C ATOM 0 H THR A 46 5.226 8.050 -11.299 1.00 0.00 H new ATOM 0 HA THR A 46 2.873 9.771 -10.842 1.00 0.00 H new ATOM 0 HB THR A 46 1.469 7.859 -11.331 1.00 0.00 H new ATOM 0 HG1 THR A 46 3.939 6.492 -11.205 1.00 0.00 H new ATOM 0 HG21 THR A 46 2.008 7.465 -13.706 1.00 0.00 H new ATOM 0 HG22 THR A 46 2.200 9.178 -13.264 1.00 0.00 H new ATOM 0 HG23 THR A 46 3.634 8.140 -13.444 1.00 0.00 H new ATOM 658 N GLN A 47 4.177 8.902 -8.519 1.00 0.00 N ATOM 659 CA GLN A 47 4.267 8.535 -7.110 1.00 0.00 C ATOM 660 C GLN A 47 3.982 9.737 -6.215 1.00 0.00 C ATOM 661 O GLN A 47 3.511 9.585 -5.089 1.00 0.00 O ATOM 662 CB GLN A 47 5.653 7.969 -6.797 1.00 0.00 C ATOM 663 CG GLN A 47 5.800 6.495 -7.140 1.00 0.00 C ATOM 664 CD GLN A 47 7.168 5.947 -6.786 1.00 0.00 C ATOM 665 OE1 GLN A 47 7.995 6.643 -6.196 1.00 0.00 O ATOM 666 NE2 GLN A 47 7.414 4.692 -7.144 1.00 0.00 N ATOM 0 H GLN A 47 4.818 9.642 -8.804 1.00 0.00 H new ATOM 0 HA GLN A 47 3.516 7.771 -6.911 1.00 0.00 H new ATOM 0 HB2 GLN A 47 6.402 8.538 -7.348 1.00 0.00 H new ATOM 0 HB3 GLN A 47 5.863 8.109 -5.737 1.00 0.00 H new ATOM 0 HG2 GLN A 47 5.036 5.925 -6.611 1.00 0.00 H new ATOM 0 HG3 GLN A 47 5.621 6.354 -8.206 1.00 0.00 H new ATOM 0 HE21 GLN A 47 6.700 4.151 -7.632 1.00 0.00 H new ATOM 0 HE22 GLN A 47 8.317 4.269 -6.931 1.00 0.00 H new ATOM 675 N ASN A 48 4.270 10.930 -6.725 1.00 0.00 N ATOM 676 CA ASN A 48 4.045 12.158 -5.971 1.00 0.00 C ATOM 677 C ASN A 48 4.395 11.964 -4.499 1.00 0.00 C ATOM 678 O ASN A 48 3.780 12.565 -3.619 1.00 0.00 O ATOM 679 CB ASN A 48 2.587 12.603 -6.105 1.00 0.00 C ATOM 680 CG ASN A 48 1.642 11.435 -6.310 1.00 0.00 C ATOM 681 OD1 ASN A 48 1.228 10.782 -5.353 1.00 0.00 O ATOM 682 ND2 ASN A 48 1.296 11.167 -7.564 1.00 0.00 N ATOM 0 H ASN A 48 4.659 11.073 -7.657 1.00 0.00 H new ATOM 0 HA ASN A 48 4.694 12.931 -6.382 1.00 0.00 H new ATOM 0 HB2 ASN A 48 2.294 13.151 -5.210 1.00 0.00 H new ATOM 0 HB3 ASN A 48 2.496 13.292 -6.945 1.00 0.00 H new ATOM 0 HD21 ASN A 48 0.663 10.393 -7.764 1.00 0.00 H new ATOM 0 HD22 ASN A 48 1.664 11.735 -8.327 1.00 0.00 H new ATOM 689 N GLY A 49 5.389 11.120 -4.239 1.00 0.00 N ATOM 690 CA GLY A 49 5.805 10.862 -2.872 1.00 0.00 C ATOM 691 C GLY A 49 6.324 9.451 -2.681 1.00 0.00 C ATOM 692 O GLY A 49 6.514 8.716 -3.650 1.00 0.00 O ATOM 0 H GLY A 49 5.914 10.610 -4.950 1.00 0.00 H new ATOM 0 HA2 GLY A 49 6.582 11.573 -2.592 1.00 0.00 H new ATOM 0 HA3 GLY A 49 4.962 11.030 -2.201 1.00 0.00 H new ATOM 696 N GLN A 50 6.554 9.071 -1.428 1.00 0.00 N ATOM 697 CA GLN A 50 7.056 7.739 -1.113 1.00 0.00 C ATOM 698 C GLN A 50 5.929 6.833 -0.630 1.00 0.00 C ATOM 699 O GLN A 50 5.007 7.282 0.052 1.00 0.00 O ATOM 700 CB GLN A 50 8.152 7.822 -0.049 1.00 0.00 C ATOM 701 CG GLN A 50 7.655 8.321 1.298 1.00 0.00 C ATOM 702 CD GLN A 50 8.575 7.934 2.439 1.00 0.00 C ATOM 703 OE1 GLN A 50 8.914 6.762 2.608 1.00 0.00 O ATOM 704 NE2 GLN A 50 8.984 8.918 3.231 1.00 0.00 N ATOM 0 H GLN A 50 6.401 9.667 -0.615 1.00 0.00 H new ATOM 0 HA GLN A 50 7.476 7.312 -2.024 1.00 0.00 H new ATOM 0 HB2 GLN A 50 8.597 6.835 0.080 1.00 0.00 H new ATOM 0 HB3 GLN A 50 8.942 8.484 -0.404 1.00 0.00 H new ATOM 0 HG2 GLN A 50 7.559 9.406 1.266 1.00 0.00 H new ATOM 0 HG3 GLN A 50 6.660 7.918 1.486 1.00 0.00 H new ATOM 0 HE21 GLN A 50 8.679 9.875 3.055 1.00 0.00 H new ATOM 0 HE22 GLN A 50 9.604 8.717 4.016 1.00 0.00 H new ATOM 713 N ILE A 51 6.009 5.555 -0.987 1.00 0.00 N ATOM 714 CA ILE A 51 4.995 4.586 -0.588 1.00 0.00 C ATOM 715 C ILE A 51 5.232 4.097 0.836 1.00 0.00 C ATOM 716 O ILE A 51 6.345 3.709 1.195 1.00 0.00 O ATOM 717 CB ILE A 51 4.971 3.374 -1.538 1.00 0.00 C ATOM 718 CG1 ILE A 51 4.576 3.813 -2.950 1.00 0.00 C ATOM 719 CG2 ILE A 51 4.012 2.314 -1.019 1.00 0.00 C ATOM 720 CD1 ILE A 51 4.886 2.781 -4.012 1.00 0.00 C ATOM 0 H ILE A 51 6.765 5.167 -1.551 1.00 0.00 H new ATOM 0 HA ILE A 51 4.033 5.096 -0.638 1.00 0.00 H new ATOM 0 HB ILE A 51 5.971 2.942 -1.579 1.00 0.00 H new ATOM 0 HG12 ILE A 51 3.508 4.032 -2.968 1.00 0.00 H new ATOM 0 HG13 ILE A 51 5.096 4.740 -3.193 1.00 0.00 H new ATOM 0 HG21 ILE A 51 4.006 1.464 -1.701 1.00 0.00 H new ATOM 0 HG22 ILE A 51 4.334 1.985 -0.031 1.00 0.00 H new ATOM 0 HG23 ILE A 51 3.008 2.733 -0.952 1.00 0.00 H new ATOM 0 HD11 ILE A 51 4.580 3.159 -4.987 1.00 0.00 H new ATOM 0 HD12 ILE A 51 5.957 2.579 -4.021 1.00 0.00 H new ATOM 0 HD13 ILE A 51 4.345 1.860 -3.794 1.00 0.00 H new ATOM 732 N THR A 52 4.178 4.116 1.646 1.00 0.00 N ATOM 733 CA THR A 52 4.271 3.674 3.032 1.00 0.00 C ATOM 734 C THR A 52 3.836 2.220 3.175 1.00 0.00 C ATOM 735 O THR A 52 4.372 1.480 3.999 1.00 0.00 O ATOM 736 CB THR A 52 3.408 4.550 3.960 1.00 0.00 C ATOM 737 OG1 THR A 52 2.024 4.405 3.622 1.00 0.00 O ATOM 738 CG2 THR A 52 3.811 6.013 3.852 1.00 0.00 C ATOM 0 H THR A 52 3.250 4.433 1.366 1.00 0.00 H new ATOM 0 HA THR A 52 5.317 3.768 3.325 1.00 0.00 H new ATOM 0 HB THR A 52 3.568 4.221 4.987 1.00 0.00 H new ATOM 0 HG1 THR A 52 1.482 4.964 4.217 1.00 0.00 H new ATOM 0 HG21 THR A 52 3.188 6.612 4.516 1.00 0.00 H new ATOM 0 HG22 THR A 52 4.857 6.124 4.137 1.00 0.00 H new ATOM 0 HG23 THR A 52 3.677 6.352 2.825 1.00 0.00 H new ATOM 746 N GLY A 53 2.861 1.816 2.367 1.00 0.00 N ATOM 747 CA GLY A 53 2.371 0.451 2.420 1.00 0.00 C ATOM 748 C GLY A 53 1.365 0.153 1.325 1.00 0.00 C ATOM 749 O GLY A 53 0.806 1.068 0.721 1.00 0.00 O ATOM 0 H GLY A 53 2.402 2.410 1.676 1.00 0.00 H new ATOM 0 HA2 GLY A 53 3.212 -0.237 2.334 1.00 0.00 H new ATOM 0 HA3 GLY A 53 1.910 0.271 3.391 1.00 0.00 H new ATOM 753 N TYR A 54 1.136 -1.130 1.069 1.00 0.00 N ATOM 754 CA TYR A 54 0.194 -1.546 0.036 1.00 0.00 C ATOM 755 C TYR A 54 -1.065 -2.145 0.657 1.00 0.00 C ATOM 756 O TYR A 54 -0.994 -2.907 1.621 1.00 0.00 O ATOM 757 CB TYR A 54 0.848 -2.564 -0.900 1.00 0.00 C ATOM 758 CG TYR A 54 1.794 -1.943 -1.903 1.00 0.00 C ATOM 759 CD1 TYR A 54 3.124 -1.707 -1.578 1.00 0.00 C ATOM 760 CD2 TYR A 54 1.358 -1.591 -3.174 1.00 0.00 C ATOM 761 CE1 TYR A 54 3.992 -1.139 -2.490 1.00 0.00 C ATOM 762 CE2 TYR A 54 2.219 -1.024 -4.093 1.00 0.00 C ATOM 763 CZ TYR A 54 3.535 -0.800 -3.747 1.00 0.00 C ATOM 764 OH TYR A 54 4.396 -0.234 -4.659 1.00 0.00 O ATOM 0 H TYR A 54 1.589 -1.900 1.562 1.00 0.00 H new ATOM 0 HA TYR A 54 -0.090 -0.664 -0.538 1.00 0.00 H new ATOM 0 HB2 TYR A 54 1.393 -3.296 -0.304 1.00 0.00 H new ATOM 0 HB3 TYR A 54 0.069 -3.106 -1.435 1.00 0.00 H new ATOM 0 HD1 TYR A 54 3.485 -1.972 -0.595 1.00 0.00 H new ATOM 0 HD2 TYR A 54 0.328 -1.764 -3.448 1.00 0.00 H new ATOM 0 HE1 TYR A 54 5.023 -0.961 -2.221 1.00 0.00 H new ATOM 0 HE2 TYR A 54 1.864 -0.757 -5.077 1.00 0.00 H new ATOM 0 HH TYR A 54 4.942 -0.935 -5.072 1.00 0.00 H new ATOM 774 N LYS A 55 -2.217 -1.795 0.096 1.00 0.00 N ATOM 775 CA LYS A 55 -3.493 -2.297 0.591 1.00 0.00 C ATOM 776 C LYS A 55 -4.004 -3.438 -0.283 1.00 0.00 C ATOM 777 O LYS A 55 -4.584 -3.208 -1.345 1.00 0.00 O ATOM 778 CB LYS A 55 -4.528 -1.170 0.632 1.00 0.00 C ATOM 779 CG LYS A 55 -5.569 -1.340 1.724 1.00 0.00 C ATOM 780 CD LYS A 55 -6.163 -0.005 2.140 1.00 0.00 C ATOM 781 CE LYS A 55 -6.903 -0.112 3.465 1.00 0.00 C ATOM 782 NZ LYS A 55 -7.143 1.224 4.077 1.00 0.00 N ATOM 0 H LYS A 55 -2.293 -1.165 -0.703 1.00 0.00 H new ATOM 0 HA LYS A 55 -3.338 -2.676 1.601 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -4.013 -0.220 0.777 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -5.032 -1.115 -0.333 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -6.363 -1.999 1.372 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -5.115 -1.823 2.589 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -5.369 0.737 2.224 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -6.847 0.347 1.368 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -7.857 -0.616 3.308 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -6.326 -0.729 4.154 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -7.649 1.107 4.978 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -6.232 1.695 4.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -7.715 1.804 3.431 1.00 0.00 H new ATOM 796 N ILE A 56 -3.787 -4.668 0.171 1.00 0.00 N ATOM 797 CA ILE A 56 -4.228 -5.844 -0.569 1.00 0.00 C ATOM 798 C ILE A 56 -5.607 -6.300 -0.105 1.00 0.00 C ATOM 799 O ILE A 56 -5.770 -6.774 1.019 1.00 0.00 O ATOM 800 CB ILE A 56 -3.235 -7.011 -0.414 1.00 0.00 C ATOM 801 CG1 ILE A 56 -1.846 -6.597 -0.904 1.00 0.00 C ATOM 802 CG2 ILE A 56 -3.730 -8.231 -1.177 1.00 0.00 C ATOM 803 CD1 ILE A 56 -0.726 -7.426 -0.317 1.00 0.00 C ATOM 0 H ILE A 56 -3.309 -4.876 1.048 1.00 0.00 H new ATOM 0 HA ILE A 56 -4.277 -5.556 -1.619 1.00 0.00 H new ATOM 0 HB ILE A 56 -3.164 -7.271 0.642 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -1.815 -6.676 -1.991 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -1.680 -5.549 -0.656 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -3.018 -9.048 -1.058 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -4.701 -8.536 -0.786 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -3.826 -7.984 -2.234 1.00 0.00 H new ATOM 0 HD11 ILE A 56 0.229 -7.076 -0.709 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -0.731 -7.328 0.769 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -0.868 -8.472 -0.587 1.00 0.00 H new ATOM 815 N ARG A 57 -6.597 -6.155 -0.980 1.00 0.00 N ATOM 816 CA ARG A 57 -7.963 -6.552 -0.660 1.00 0.00 C ATOM 817 C ARG A 57 -8.393 -7.747 -1.505 1.00 0.00 C ATOM 818 O ARG A 57 -8.139 -7.793 -2.709 1.00 0.00 O ATOM 819 CB ARG A 57 -8.923 -5.382 -0.886 1.00 0.00 C ATOM 820 CG ARG A 57 -8.936 -4.376 0.253 1.00 0.00 C ATOM 821 CD ARG A 57 -9.688 -3.111 -0.130 1.00 0.00 C ATOM 822 NE ARG A 57 -9.124 -2.477 -1.317 1.00 0.00 N ATOM 823 CZ ARG A 57 -9.561 -1.325 -1.814 1.00 0.00 C ATOM 824 NH1 ARG A 57 -10.563 -0.685 -1.227 1.00 0.00 N ATOM 825 NH2 ARG A 57 -8.996 -0.811 -2.898 1.00 0.00 N ATOM 0 H ARG A 57 -6.479 -5.766 -1.915 1.00 0.00 H new ATOM 0 HA ARG A 57 -7.994 -6.841 0.390 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -8.648 -4.870 -1.808 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -9.931 -5.772 -1.026 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -9.400 -4.825 1.131 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -7.912 -4.123 0.528 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -10.735 -3.353 -0.311 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -9.663 -2.408 0.703 1.00 0.00 H new ATOM 0 HE ARG A 57 -8.351 -2.944 -1.792 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -10.999 -1.077 -0.393 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -10.897 0.199 -1.610 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -8.225 -1.300 -3.352 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -9.333 0.074 -3.278 1.00 0.00 H new ATOM 839 N TYR A 58 -9.046 -8.713 -0.867 1.00 0.00 N ATOM 840 CA TYR A 58 -9.508 -9.910 -1.559 1.00 0.00 C ATOM 841 C TYR A 58 -10.937 -10.257 -1.150 1.00 0.00 C ATOM 842 O TYR A 58 -11.325 -10.079 0.004 1.00 0.00 O ATOM 843 CB TYR A 58 -8.580 -11.088 -1.260 1.00 0.00 C ATOM 844 CG TYR A 58 -8.492 -11.433 0.210 1.00 0.00 C ATOM 845 CD1 TYR A 58 -7.730 -10.663 1.080 1.00 0.00 C ATOM 846 CD2 TYR A 58 -9.171 -12.528 0.728 1.00 0.00 C ATOM 847 CE1 TYR A 58 -7.647 -10.974 2.423 1.00 0.00 C ATOM 848 CE2 TYR A 58 -9.095 -12.846 2.070 1.00 0.00 C ATOM 849 CZ TYR A 58 -8.331 -12.066 2.914 1.00 0.00 C ATOM 850 OH TYR A 58 -8.251 -12.381 4.251 1.00 0.00 O ATOM 0 H TYR A 58 -9.267 -8.690 0.128 1.00 0.00 H new ATOM 0 HA TYR A 58 -9.494 -9.708 -2.630 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -8.929 -11.963 -1.809 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -7.581 -10.856 -1.630 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -7.193 -9.807 0.699 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -9.769 -13.142 0.070 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -7.049 -10.365 3.085 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -9.631 -13.700 2.457 1.00 0.00 H new ATOM 0 HH TYR A 58 -8.792 -13.178 4.432 1.00 0.00 H new ATOM 860 N ARG A 59 -11.714 -10.754 -2.107 1.00 0.00 N ATOM 861 CA ARG A 59 -13.100 -11.126 -1.848 1.00 0.00 C ATOM 862 C ARG A 59 -13.404 -12.512 -2.411 1.00 0.00 C ATOM 863 O ARG A 59 -12.567 -13.122 -3.075 1.00 0.00 O ATOM 864 CB ARG A 59 -14.050 -10.095 -2.460 1.00 0.00 C ATOM 865 CG ARG A 59 -14.062 -10.105 -3.980 1.00 0.00 C ATOM 866 CD ARG A 59 -15.035 -9.077 -4.536 1.00 0.00 C ATOM 867 NE ARG A 59 -14.605 -8.563 -5.834 1.00 0.00 N ATOM 868 CZ ARG A 59 -14.680 -9.261 -6.962 1.00 0.00 C ATOM 869 NH1 ARG A 59 -15.165 -10.494 -6.951 1.00 0.00 N ATOM 870 NH2 ARG A 59 -14.269 -8.724 -8.104 1.00 0.00 N ATOM 0 H ARG A 59 -11.408 -10.908 -3.068 1.00 0.00 H new ATOM 0 HA ARG A 59 -13.249 -11.150 -0.768 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -15.060 -10.283 -2.096 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -13.766 -9.101 -2.114 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -13.059 -9.898 -4.354 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -14.337 -11.098 -4.336 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -16.022 -9.528 -4.634 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -15.130 -8.250 -3.832 1.00 0.00 H new ATOM 0 HE ARG A 59 -14.227 -7.617 -5.877 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -15.482 -10.910 -6.075 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -15.221 -11.028 -7.818 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -13.895 -7.775 -8.116 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -14.327 -9.260 -8.970 1.00 0.00 H new ATOM 884 N LYS A 60 -14.609 -13.003 -2.140 1.00 0.00 N ATOM 885 CA LYS A 60 -15.026 -14.315 -2.619 1.00 0.00 C ATOM 886 C LYS A 60 -15.967 -14.185 -3.813 1.00 0.00 C ATOM 887 O LYS A 60 -16.993 -13.511 -3.736 1.00 0.00 O ATOM 888 CB LYS A 60 -15.714 -15.095 -1.497 1.00 0.00 C ATOM 889 CG LYS A 60 -14.760 -15.937 -0.667 1.00 0.00 C ATOM 890 CD LYS A 60 -15.451 -16.525 0.552 1.00 0.00 C ATOM 891 CE LYS A 60 -16.245 -17.772 0.195 1.00 0.00 C ATOM 892 NZ LYS A 60 -16.825 -18.425 1.402 1.00 0.00 N ATOM 0 H LYS A 60 -15.314 -12.511 -1.591 1.00 0.00 H new ATOM 0 HA LYS A 60 -14.136 -14.857 -2.938 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -16.230 -14.393 -0.842 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -16.475 -15.744 -1.931 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -14.356 -16.742 -1.281 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -13.916 -15.325 -0.348 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -14.707 -16.771 1.310 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -16.117 -15.781 0.988 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -17.046 -17.507 -0.495 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -15.598 -18.478 -0.324 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -17.358 -19.271 1.117 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -16.059 -18.701 2.049 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -17.463 -17.760 1.884 1.00 0.00 H new ATOM 906 N ALA A 61 -15.610 -14.837 -4.915 1.00 0.00 N ATOM 907 CA ALA A 61 -16.424 -14.796 -6.124 1.00 0.00 C ATOM 908 C ALA A 61 -17.899 -15.004 -5.799 1.00 0.00 C ATOM 909 O ALA A 61 -18.761 -14.271 -6.284 1.00 0.00 O ATOM 910 CB ALA A 61 -15.947 -15.846 -7.116 1.00 0.00 C ATOM 0 H ALA A 61 -14.763 -15.400 -4.995 1.00 0.00 H new ATOM 0 HA ALA A 61 -16.314 -13.810 -6.574 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -16.563 -15.805 -8.014 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -14.907 -15.652 -7.380 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -16.028 -16.835 -6.666 1.00 0.00 H new ATOM 916 N SER A 62 -18.183 -16.009 -4.976 1.00 0.00 N ATOM 917 CA SER A 62 -19.556 -16.316 -4.590 1.00 0.00 C ATOM 918 C SER A 62 -20.155 -15.181 -3.765 1.00 0.00 C ATOM 919 O SER A 62 -21.215 -14.650 -4.097 1.00 0.00 O ATOM 920 CB SER A 62 -19.604 -17.621 -3.793 1.00 0.00 C ATOM 921 OG SER A 62 -20.941 -18.035 -3.573 1.00 0.00 O ATOM 0 H SER A 62 -17.481 -16.624 -4.564 1.00 0.00 H new ATOM 0 HA SER A 62 -20.146 -16.432 -5.499 1.00 0.00 H new ATOM 0 HB2 SER A 62 -19.063 -18.399 -4.331 1.00 0.00 H new ATOM 0 HB3 SER A 62 -19.100 -17.485 -2.836 1.00 0.00 H new ATOM 0 HG SER A 62 -20.945 -18.872 -3.063 1.00 0.00 H new ATOM 927 N ARG A 63 -19.469 -14.815 -2.688 1.00 0.00 N ATOM 928 CA ARG A 63 -19.933 -13.744 -1.813 1.00 0.00 C ATOM 929 C ARG A 63 -19.065 -12.499 -1.971 1.00 0.00 C ATOM 930 O ARG A 63 -18.390 -12.075 -1.033 1.00 0.00 O ATOM 931 CB ARG A 63 -19.920 -14.206 -0.355 1.00 0.00 C ATOM 932 CG ARG A 63 -20.744 -13.325 0.570 1.00 0.00 C ATOM 933 CD ARG A 63 -22.233 -13.583 0.404 1.00 0.00 C ATOM 934 NE ARG A 63 -22.702 -14.660 1.271 1.00 0.00 N ATOM 935 CZ ARG A 63 -23.946 -15.126 1.257 1.00 0.00 C ATOM 936 NH1 ARG A 63 -24.840 -14.613 0.424 1.00 0.00 N ATOM 937 NH2 ARG A 63 -24.297 -16.109 2.076 1.00 0.00 N ATOM 0 H ARG A 63 -18.590 -15.244 -2.400 1.00 0.00 H new ATOM 0 HA ARG A 63 -20.955 -13.493 -2.098 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -20.298 -15.227 -0.303 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -18.890 -14.229 0.001 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -20.455 -13.511 1.604 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -20.530 -12.277 0.362 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -22.786 -12.671 0.628 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -22.443 -13.837 -0.635 1.00 0.00 H new ATOM 0 HE ARG A 63 -22.038 -15.078 1.923 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -24.574 -13.858 -0.209 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -25.794 -14.973 0.415 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -23.611 -16.508 2.717 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -25.252 -16.466 2.064 1.00 0.00 H new ATOM 951 N LYS A 64 -19.087 -11.916 -3.165 1.00 0.00 N ATOM 952 CA LYS A 64 -18.304 -10.719 -3.448 1.00 0.00 C ATOM 953 C LYS A 64 -18.327 -9.762 -2.261 1.00 0.00 C ATOM 954 O LYS A 64 -17.283 -9.282 -1.818 1.00 0.00 O ATOM 955 CB LYS A 64 -18.843 -10.015 -4.695 1.00 0.00 C ATOM 956 CG LYS A 64 -19.344 -10.970 -5.764 1.00 0.00 C ATOM 957 CD LYS A 64 -19.585 -10.255 -7.083 1.00 0.00 C ATOM 958 CE LYS A 64 -18.317 -10.187 -7.920 1.00 0.00 C ATOM 959 NZ LYS A 64 -18.310 -9.001 -8.821 1.00 0.00 N ATOM 0 H LYS A 64 -19.639 -12.254 -3.953 1.00 0.00 H new ATOM 0 HA LYS A 64 -17.273 -11.023 -3.628 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -19.656 -9.350 -4.404 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -18.056 -9.390 -5.118 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -18.616 -11.768 -5.910 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -20.269 -11.439 -5.429 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -20.364 -10.774 -7.642 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -19.949 -9.246 -6.890 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -17.449 -10.148 -7.262 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -18.225 -11.096 -8.515 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -17.430 -8.991 -9.374 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -19.124 -9.051 -9.466 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -18.372 -8.133 -8.252 1.00 0.00 H new ATOM 973 N SER A 65 -19.523 -9.489 -1.749 1.00 0.00 N ATOM 974 CA SER A 65 -19.681 -8.586 -0.615 1.00 0.00 C ATOM 975 C SER A 65 -18.653 -8.892 0.470 1.00 0.00 C ATOM 976 O SER A 65 -18.080 -7.984 1.072 1.00 0.00 O ATOM 977 CB SER A 65 -21.094 -8.699 -0.040 1.00 0.00 C ATOM 978 OG SER A 65 -22.058 -8.214 -0.958 1.00 0.00 O ATOM 0 H SER A 65 -20.397 -9.880 -2.102 1.00 0.00 H new ATOM 0 HA SER A 65 -19.520 -7.567 -0.968 1.00 0.00 H new ATOM 0 HB2 SER A 65 -21.309 -9.740 0.202 1.00 0.00 H new ATOM 0 HB3 SER A 65 -21.157 -8.135 0.891 1.00 0.00 H new ATOM 0 HG SER A 65 -22.953 -8.299 -0.568 1.00 0.00 H new ATOM 984 N ASP A 66 -18.424 -10.178 0.714 1.00 0.00 N ATOM 985 CA ASP A 66 -17.465 -10.606 1.726 1.00 0.00 C ATOM 986 C ASP A 66 -16.036 -10.322 1.273 1.00 0.00 C ATOM 987 O ASP A 66 -15.429 -11.121 0.560 1.00 0.00 O ATOM 988 CB ASP A 66 -17.633 -12.097 2.021 1.00 0.00 C ATOM 989 CG ASP A 66 -18.606 -12.357 3.154 1.00 0.00 C ATOM 990 OD1 ASP A 66 -19.733 -11.820 3.103 1.00 0.00 O ATOM 991 OD2 ASP A 66 -18.241 -13.097 4.091 1.00 0.00 O ATOM 0 H ASP A 66 -18.890 -10.942 0.225 1.00 0.00 H new ATOM 0 HA ASP A 66 -17.658 -10.040 2.637 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -17.982 -12.605 1.122 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -16.663 -12.526 2.273 1.00 0.00 H new ATOM 996 N VAL A 67 -15.504 -9.178 1.692 1.00 0.00 N ATOM 997 CA VAL A 67 -14.146 -8.789 1.330 1.00 0.00 C ATOM 998 C VAL A 67 -13.341 -8.393 2.562 1.00 0.00 C ATOM 999 O VAL A 67 -13.864 -7.768 3.486 1.00 0.00 O ATOM 1000 CB VAL A 67 -14.146 -7.616 0.331 1.00 0.00 C ATOM 1001 CG1 VAL A 67 -15.149 -6.554 0.754 1.00 0.00 C ATOM 1002 CG2 VAL A 67 -12.751 -7.023 0.207 1.00 0.00 C ATOM 0 H VAL A 67 -15.993 -8.505 2.282 1.00 0.00 H new ATOM 0 HA VAL A 67 -13.682 -9.657 0.860 1.00 0.00 H new ATOM 0 HB VAL A 67 -14.444 -7.994 -0.647 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -15.135 -5.734 0.036 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -16.148 -6.989 0.787 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -14.885 -6.177 1.742 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -12.769 -6.196 -0.503 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -12.423 -6.659 1.181 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -12.060 -7.789 -0.146 1.00 0.00 H new ATOM 1012 N THR A 68 -12.063 -8.759 2.571 1.00 0.00 N ATOM 1013 CA THR A 68 -11.184 -8.443 3.690 1.00 0.00 C ATOM 1014 C THR A 68 -10.052 -7.519 3.256 1.00 0.00 C ATOM 1015 O THR A 68 -9.507 -7.662 2.162 1.00 0.00 O ATOM 1016 CB THR A 68 -10.582 -9.718 4.309 1.00 0.00 C ATOM 1017 OG1 THR A 68 -11.596 -10.719 4.453 1.00 0.00 O ATOM 1018 CG2 THR A 68 -9.960 -9.420 5.665 1.00 0.00 C ATOM 0 H THR A 68 -11.613 -9.275 1.815 1.00 0.00 H new ATOM 0 HA THR A 68 -11.795 -7.938 4.439 1.00 0.00 H new ATOM 0 HB THR A 68 -9.802 -10.085 3.642 1.00 0.00 H new ATOM 0 HG1 THR A 68 -11.205 -11.527 4.846 1.00 0.00 H new ATOM 0 HG21 THR A 68 -9.541 -10.336 6.082 1.00 0.00 H new ATOM 0 HG22 THR A 68 -9.168 -8.680 5.547 1.00 0.00 H new ATOM 0 HG23 THR A 68 -10.724 -9.031 6.338 1.00 0.00 H new ATOM 1026 N GLU A 69 -9.704 -6.571 4.121 1.00 0.00 N ATOM 1027 CA GLU A 69 -8.636 -5.624 3.825 1.00 0.00 C ATOM 1028 C GLU A 69 -7.337 -6.036 4.512 1.00 0.00 C ATOM 1029 O GLU A 69 -7.326 -6.372 5.697 1.00 0.00 O ATOM 1030 CB GLU A 69 -9.035 -4.215 4.270 1.00 0.00 C ATOM 1031 CG GLU A 69 -7.911 -3.200 4.159 1.00 0.00 C ATOM 1032 CD GLU A 69 -8.062 -2.053 5.140 1.00 0.00 C ATOM 1033 OE1 GLU A 69 -9.068 -1.320 5.044 1.00 0.00 O ATOM 1034 OE2 GLU A 69 -7.174 -1.889 6.003 1.00 0.00 O ATOM 0 H GLU A 69 -10.146 -6.439 5.031 1.00 0.00 H new ATOM 0 HA GLU A 69 -8.474 -5.625 2.747 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -9.878 -3.878 3.667 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -9.378 -4.253 5.304 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -6.958 -3.699 4.333 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -7.883 -2.804 3.144 1.00 0.00 H new ATOM 1041 N THR A 70 -6.241 -6.009 3.759 1.00 0.00 N ATOM 1042 CA THR A 70 -4.937 -6.382 4.293 1.00 0.00 C ATOM 1043 C THR A 70 -3.897 -5.306 4.002 1.00 0.00 C ATOM 1044 O THR A 70 -3.723 -4.890 2.856 1.00 0.00 O ATOM 1045 CB THR A 70 -4.452 -7.721 3.707 1.00 0.00 C ATOM 1046 OG1 THR A 70 -5.392 -8.758 4.011 1.00 0.00 O ATOM 1047 CG2 THR A 70 -3.085 -8.091 4.263 1.00 0.00 C ATOM 0 H THR A 70 -6.231 -5.733 2.777 1.00 0.00 H new ATOM 0 HA THR A 70 -5.055 -6.488 5.371 1.00 0.00 H new ATOM 0 HB THR A 70 -4.370 -7.611 2.626 1.00 0.00 H new ATOM 0 HG1 THR A 70 -5.077 -9.606 3.633 1.00 0.00 H new ATOM 0 HG21 THR A 70 -2.763 -9.040 3.835 1.00 0.00 H new ATOM 0 HG22 THR A 70 -2.365 -7.314 4.006 1.00 0.00 H new ATOM 0 HG23 THR A 70 -3.146 -8.184 5.347 1.00 0.00 H new ATOM 1055 N LEU A 71 -3.207 -4.860 5.046 1.00 0.00 N ATOM 1056 CA LEU A 71 -2.181 -3.832 4.902 1.00 0.00 C ATOM 1057 C LEU A 71 -0.786 -4.429 5.060 1.00 0.00 C ATOM 1058 O LEU A 71 -0.586 -5.373 5.824 1.00 0.00 O ATOM 1059 CB LEU A 71 -2.394 -2.724 5.935 1.00 0.00 C ATOM 1060 CG LEU A 71 -1.442 -1.531 5.844 1.00 0.00 C ATOM 1061 CD1 LEU A 71 -1.670 -0.763 4.552 1.00 0.00 C ATOM 1062 CD2 LEU A 71 -1.618 -0.616 7.048 1.00 0.00 C ATOM 0 H LEU A 71 -3.339 -5.194 6.001 1.00 0.00 H new ATOM 0 HA LEU A 71 -2.263 -3.408 3.901 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -3.416 -2.356 5.839 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -2.304 -3.160 6.930 1.00 0.00 H new ATOM 0 HG LEU A 71 -0.419 -1.907 5.843 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -0.983 0.082 4.505 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -1.494 -1.421 3.701 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -2.697 -0.399 4.522 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -0.933 0.228 6.967 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -2.644 -0.249 7.079 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -1.404 -1.171 7.961 1.00 0.00 H new ATOM 1074 N VAL A 72 0.176 -3.871 4.332 1.00 0.00 N ATOM 1075 CA VAL A 72 1.553 -4.345 4.393 1.00 0.00 C ATOM 1076 C VAL A 72 2.536 -3.180 4.414 1.00 0.00 C ATOM 1077 O VAL A 72 2.136 -2.017 4.372 1.00 0.00 O ATOM 1078 CB VAL A 72 1.885 -5.261 3.200 1.00 0.00 C ATOM 1079 CG1 VAL A 72 1.125 -6.575 3.309 1.00 0.00 C ATOM 1080 CG2 VAL A 72 1.570 -4.561 1.888 1.00 0.00 C ATOM 0 H VAL A 72 0.027 -3.090 3.693 1.00 0.00 H new ATOM 0 HA VAL A 72 1.650 -4.915 5.317 1.00 0.00 H new ATOM 0 HB VAL A 72 2.952 -5.483 3.220 1.00 0.00 H new ATOM 0 HG11 VAL A 72 1.372 -7.210 2.458 1.00 0.00 H new ATOM 0 HG12 VAL A 72 1.405 -7.082 4.233 1.00 0.00 H new ATOM 0 HG13 VAL A 72 0.053 -6.376 3.315 1.00 0.00 H new ATOM 0 HG21 VAL A 72 1.811 -5.223 1.056 1.00 0.00 H new ATOM 0 HG22 VAL A 72 0.510 -4.308 1.856 1.00 0.00 H new ATOM 0 HG23 VAL A 72 2.163 -3.650 1.810 1.00 0.00 H new ATOM 1090 N SER A 73 3.824 -3.500 4.477 1.00 0.00 N ATOM 1091 CA SER A 73 4.865 -2.479 4.506 1.00 0.00 C ATOM 1092 C SER A 73 5.032 -1.835 3.134 1.00 0.00 C ATOM 1093 O SER A 73 4.526 -2.340 2.133 1.00 0.00 O ATOM 1094 CB SER A 73 6.193 -3.088 4.962 1.00 0.00 C ATOM 1095 OG SER A 73 6.316 -3.044 6.373 1.00 0.00 O ATOM 0 H SER A 73 4.172 -4.458 4.509 1.00 0.00 H new ATOM 0 HA SER A 73 4.564 -1.708 5.215 1.00 0.00 H new ATOM 0 HB2 SER A 73 6.260 -4.121 4.620 1.00 0.00 H new ATOM 0 HB3 SER A 73 7.021 -2.547 4.504 1.00 0.00 H new ATOM 0 HG SER A 73 7.172 -3.440 6.639 1.00 0.00 H new ATOM 1101 N GLY A 74 5.748 -0.715 3.096 1.00 0.00 N ATOM 1102 CA GLY A 74 5.970 -0.019 1.842 1.00 0.00 C ATOM 1103 C GLY A 74 7.027 -0.689 0.986 1.00 0.00 C ATOM 1104 O GLY A 74 6.881 -0.784 -0.233 1.00 0.00 O ATOM 0 H GLY A 74 6.178 -0.278 3.911 1.00 0.00 H new ATOM 0 HA2 GLY A 74 5.034 0.029 1.286 1.00 0.00 H new ATOM 0 HA3 GLY A 74 6.271 1.008 2.048 1.00 0.00 H new ATOM 1108 N THR A 75 8.097 -1.153 1.624 1.00 0.00 N ATOM 1109 CA THR A 75 9.183 -1.815 0.914 1.00 0.00 C ATOM 1110 C THR A 75 8.843 -3.272 0.623 1.00 0.00 C ATOM 1111 O THR A 75 9.626 -3.988 -0.002 1.00 0.00 O ATOM 1112 CB THR A 75 10.497 -1.756 1.716 1.00 0.00 C ATOM 1113 OG1 THR A 75 11.561 -2.340 0.957 1.00 0.00 O ATOM 1114 CG2 THR A 75 10.353 -2.487 3.043 1.00 0.00 C ATOM 0 H THR A 75 8.234 -1.082 2.632 1.00 0.00 H new ATOM 0 HA THR A 75 9.316 -1.282 -0.027 1.00 0.00 H new ATOM 0 HB THR A 75 10.728 -0.710 1.918 1.00 0.00 H new ATOM 0 HG1 THR A 75 11.209 -3.073 0.410 1.00 0.00 H new ATOM 0 HG21 THR A 75 11.293 -2.432 3.592 1.00 0.00 H new ATOM 0 HG22 THR A 75 9.562 -2.022 3.631 1.00 0.00 H new ATOM 0 HG23 THR A 75 10.101 -3.531 2.858 1.00 0.00 H new ATOM 1122 N GLN A 76 7.672 -3.704 1.079 1.00 0.00 N ATOM 1123 CA GLN A 76 7.230 -5.077 0.866 1.00 0.00 C ATOM 1124 C GLN A 76 6.428 -5.197 -0.425 1.00 0.00 C ATOM 1125 O GLN A 76 5.331 -4.647 -0.541 1.00 0.00 O ATOM 1126 CB GLN A 76 6.386 -5.552 2.050 1.00 0.00 C ATOM 1127 CG GLN A 76 5.565 -6.796 1.752 1.00 0.00 C ATOM 1128 CD GLN A 76 5.021 -7.451 3.006 1.00 0.00 C ATOM 1129 OE1 GLN A 76 5.667 -7.443 4.055 1.00 0.00 O ATOM 1130 NE2 GLN A 76 3.827 -8.024 2.905 1.00 0.00 N ATOM 0 H GLN A 76 7.013 -3.124 1.598 1.00 0.00 H new ATOM 0 HA GLN A 76 8.115 -5.708 0.782 1.00 0.00 H new ATOM 0 HB2 GLN A 76 7.043 -5.755 2.896 1.00 0.00 H new ATOM 0 HB3 GLN A 76 5.715 -4.748 2.353 1.00 0.00 H new ATOM 0 HG2 GLN A 76 4.736 -6.531 1.096 1.00 0.00 H new ATOM 0 HG3 GLN A 76 6.182 -7.513 1.211 1.00 0.00 H new ATOM 0 HE21 GLN A 76 3.327 -8.007 2.016 1.00 0.00 H new ATOM 0 HE22 GLN A 76 3.410 -8.481 3.716 1.00 0.00 H new ATOM 1139 N LEU A 77 6.980 -5.917 -1.395 1.00 0.00 N ATOM 1140 CA LEU A 77 6.317 -6.109 -2.679 1.00 0.00 C ATOM 1141 C LEU A 77 5.689 -7.497 -2.766 1.00 0.00 C ATOM 1142 O LEU A 77 5.287 -7.941 -3.841 1.00 0.00 O ATOM 1143 CB LEU A 77 7.312 -5.915 -3.824 1.00 0.00 C ATOM 1144 CG LEU A 77 8.035 -4.568 -3.863 1.00 0.00 C ATOM 1145 CD1 LEU A 77 9.121 -4.576 -4.927 1.00 0.00 C ATOM 1146 CD2 LEU A 77 7.046 -3.439 -4.116 1.00 0.00 C ATOM 0 H LEU A 77 7.886 -6.378 -1.316 1.00 0.00 H new ATOM 0 HA LEU A 77 5.525 -5.366 -2.765 1.00 0.00 H new ATOM 0 HB2 LEU A 77 8.061 -6.705 -3.766 1.00 0.00 H new ATOM 0 HB3 LEU A 77 6.781 -6.047 -4.767 1.00 0.00 H new ATOM 0 HG LEU A 77 8.506 -4.402 -2.894 1.00 0.00 H new ATOM 0 HD11 LEU A 77 9.625 -3.609 -4.940 1.00 0.00 H new ATOM 0 HD12 LEU A 77 9.845 -5.359 -4.702 1.00 0.00 H new ATOM 0 HD13 LEU A 77 8.673 -4.765 -5.903 1.00 0.00 H new ATOM 0 HD21 LEU A 77 7.578 -2.488 -4.141 1.00 0.00 H new ATOM 0 HD22 LEU A 77 6.546 -3.600 -5.071 1.00 0.00 H new ATOM 0 HD23 LEU A 77 6.304 -3.419 -3.318 1.00 0.00 H new ATOM 1158 N SER A 78 5.608 -8.176 -1.627 1.00 0.00 N ATOM 1159 CA SER A 78 5.030 -9.514 -1.574 1.00 0.00 C ATOM 1160 C SER A 78 4.222 -9.708 -0.295 1.00 0.00 C ATOM 1161 O SER A 78 4.484 -9.062 0.720 1.00 0.00 O ATOM 1162 CB SER A 78 6.133 -10.572 -1.659 1.00 0.00 C ATOM 1163 OG SER A 78 6.998 -10.498 -0.539 1.00 0.00 O ATOM 0 H SER A 78 5.935 -7.822 -0.728 1.00 0.00 H new ATOM 0 HA SER A 78 4.360 -9.627 -2.426 1.00 0.00 H new ATOM 0 HB2 SER A 78 5.686 -11.565 -1.712 1.00 0.00 H new ATOM 0 HB3 SER A 78 6.706 -10.431 -2.575 1.00 0.00 H new ATOM 0 HG SER A 78 7.693 -11.185 -0.616 1.00 0.00 H new ATOM 1169 N GLN A 79 3.240 -10.601 -0.352 1.00 0.00 N ATOM 1170 CA GLN A 79 2.392 -10.879 0.801 1.00 0.00 C ATOM 1171 C GLN A 79 1.753 -12.259 0.687 1.00 0.00 C ATOM 1172 O GLN A 79 1.338 -12.675 -0.395 1.00 0.00 O ATOM 1173 CB GLN A 79 1.306 -9.810 0.932 1.00 0.00 C ATOM 1174 CG GLN A 79 0.373 -10.031 2.112 1.00 0.00 C ATOM 1175 CD GLN A 79 1.120 -10.269 3.410 1.00 0.00 C ATOM 1176 OE1 GLN A 79 2.269 -9.853 3.563 1.00 0.00 O ATOM 1177 NE2 GLN A 79 0.470 -10.941 4.353 1.00 0.00 N ATOM 0 H GLN A 79 3.012 -11.145 -1.184 1.00 0.00 H new ATOM 0 HA GLN A 79 3.018 -10.861 1.693 1.00 0.00 H new ATOM 0 HB2 GLN A 79 1.780 -8.833 1.032 1.00 0.00 H new ATOM 0 HB3 GLN A 79 0.718 -9.787 0.014 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -0.276 -9.163 2.225 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -0.271 -10.886 1.906 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -0.481 -11.267 4.183 1.00 0.00 H new ATOM 0 HE22 GLN A 79 0.922 -11.131 5.247 1.00 0.00 H new ATOM 1186 N LEU A 80 1.678 -12.965 1.810 1.00 0.00 N ATOM 1187 CA LEU A 80 1.089 -14.299 1.837 1.00 0.00 C ATOM 1188 C LEU A 80 -0.265 -14.283 2.538 1.00 0.00 C ATOM 1189 O LEU A 80 -0.357 -13.963 3.724 1.00 0.00 O ATOM 1190 CB LEU A 80 2.030 -15.279 2.541 1.00 0.00 C ATOM 1191 CG LEU A 80 1.711 -16.763 2.360 1.00 0.00 C ATOM 1192 CD1 LEU A 80 1.848 -17.165 0.900 1.00 0.00 C ATOM 1193 CD2 LEU A 80 2.618 -17.614 3.237 1.00 0.00 C ATOM 0 H LEU A 80 2.018 -12.636 2.714 1.00 0.00 H new ATOM 0 HA LEU A 80 0.940 -14.624 0.807 1.00 0.00 H new ATOM 0 HB2 LEU A 80 3.044 -15.099 2.183 1.00 0.00 H new ATOM 0 HB3 LEU A 80 2.025 -15.054 3.608 1.00 0.00 H new ATOM 0 HG LEU A 80 0.679 -16.933 2.666 1.00 0.00 H new ATOM 0 HD11 LEU A 80 1.617 -18.225 0.791 1.00 0.00 H new ATOM 0 HD12 LEU A 80 1.156 -16.579 0.295 1.00 0.00 H new ATOM 0 HD13 LEU A 80 2.869 -16.980 0.566 1.00 0.00 H new ATOM 0 HD21 LEU A 80 2.377 -18.668 3.095 1.00 0.00 H new ATOM 0 HD22 LEU A 80 3.658 -17.440 2.962 1.00 0.00 H new ATOM 0 HD23 LEU A 80 2.469 -17.345 4.283 1.00 0.00 H new ATOM 1205 N ILE A 81 -1.312 -14.633 1.799 1.00 0.00 N ATOM 1206 CA ILE A 81 -2.661 -14.662 2.352 1.00 0.00 C ATOM 1207 C ILE A 81 -3.091 -16.089 2.679 1.00 0.00 C ATOM 1208 O ILE A 81 -3.457 -16.856 1.789 1.00 0.00 O ATOM 1209 CB ILE A 81 -3.681 -14.041 1.379 1.00 0.00 C ATOM 1210 CG1 ILE A 81 -3.284 -12.603 1.039 1.00 0.00 C ATOM 1211 CG2 ILE A 81 -5.078 -14.083 1.980 1.00 0.00 C ATOM 1212 CD1 ILE A 81 -3.483 -11.635 2.184 1.00 0.00 C ATOM 0 H ILE A 81 -1.253 -14.900 0.816 1.00 0.00 H new ATOM 0 HA ILE A 81 -2.639 -14.073 3.269 1.00 0.00 H new ATOM 0 HB ILE A 81 -3.685 -14.624 0.458 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -2.237 -12.585 0.737 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -3.869 -12.266 0.183 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -5.788 -13.641 1.281 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -5.359 -15.118 2.176 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -5.090 -13.521 2.914 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -3.181 -10.635 1.872 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -4.534 -11.623 2.472 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -2.877 -11.948 3.034 1.00 0.00 H new ATOM 1224 N GLU A 82 -3.044 -16.435 3.961 1.00 0.00 N ATOM 1225 CA GLU A 82 -3.430 -17.770 4.406 1.00 0.00 C ATOM 1226 C GLU A 82 -4.887 -17.792 4.858 1.00 0.00 C ATOM 1227 O GLU A 82 -5.505 -16.746 5.052 1.00 0.00 O ATOM 1228 CB GLU A 82 -2.523 -18.233 5.547 1.00 0.00 C ATOM 1229 CG GLU A 82 -1.070 -18.407 5.138 1.00 0.00 C ATOM 1230 CD GLU A 82 -0.108 -18.170 6.286 1.00 0.00 C ATOM 1231 OE1 GLU A 82 -0.036 -19.033 7.186 1.00 0.00 O ATOM 1232 OE2 GLU A 82 0.572 -17.123 6.284 1.00 0.00 O ATOM 0 H GLU A 82 -2.743 -15.811 4.710 1.00 0.00 H new ATOM 0 HA GLU A 82 -3.319 -18.453 3.564 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -2.578 -17.509 6.360 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -2.898 -19.180 5.936 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -0.924 -19.415 4.749 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -0.839 -17.716 4.327 1.00 0.00 H new ATOM 1239 N GLY A 83 -5.431 -18.995 5.023 1.00 0.00 N ATOM 1240 CA GLY A 83 -6.811 -19.132 5.450 1.00 0.00 C ATOM 1241 C GLY A 83 -7.785 -19.081 4.290 1.00 0.00 C ATOM 1242 O GLY A 83 -8.750 -18.316 4.313 1.00 0.00 O ATOM 0 H GLY A 83 -4.941 -19.876 4.869 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -6.932 -20.077 5.980 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -7.050 -18.337 6.156 1.00 0.00 H new ATOM 1246 N LEU A 84 -7.532 -19.894 3.271 1.00 0.00 N ATOM 1247 CA LEU A 84 -8.393 -19.937 2.094 1.00 0.00 C ATOM 1248 C LEU A 84 -9.029 -21.315 1.935 1.00 0.00 C ATOM 1249 O LEU A 84 -8.671 -22.260 2.638 1.00 0.00 O ATOM 1250 CB LEU A 84 -7.594 -19.584 0.839 1.00 0.00 C ATOM 1251 CG LEU A 84 -6.786 -18.287 0.901 1.00 0.00 C ATOM 1252 CD1 LEU A 84 -5.683 -18.295 -0.146 1.00 0.00 C ATOM 1253 CD2 LEU A 84 -7.696 -17.082 0.711 1.00 0.00 C ATOM 0 H LEU A 84 -6.738 -20.533 3.236 1.00 0.00 H new ATOM 0 HA LEU A 84 -9.188 -19.203 2.229 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -6.910 -20.405 0.625 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -8.285 -19.518 -0.001 1.00 0.00 H new ATOM 0 HG LEU A 84 -6.324 -18.216 1.886 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -5.119 -17.364 -0.087 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -5.015 -19.137 0.036 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -6.124 -18.390 -1.138 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -7.104 -16.168 0.758 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -8.187 -17.147 -0.260 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -8.449 -17.067 1.499 1.00 0.00 H new ATOM 1265 N ASP A 85 -9.971 -21.422 1.004 1.00 0.00 N ATOM 1266 CA ASP A 85 -10.655 -22.684 0.750 1.00 0.00 C ATOM 1267 C ASP A 85 -10.207 -23.286 -0.579 1.00 0.00 C ATOM 1268 O ASP A 85 -10.201 -22.609 -1.607 1.00 0.00 O ATOM 1269 CB ASP A 85 -12.170 -22.477 0.746 1.00 0.00 C ATOM 1270 CG ASP A 85 -12.658 -21.746 1.981 1.00 0.00 C ATOM 1271 OD1 ASP A 85 -11.949 -21.780 3.009 1.00 0.00 O ATOM 1272 OD2 ASP A 85 -13.748 -21.140 1.920 1.00 0.00 O ATOM 0 H ASP A 85 -10.278 -20.650 0.413 1.00 0.00 H new ATOM 0 HA ASP A 85 -10.394 -23.378 1.549 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -12.454 -21.913 -0.142 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -12.666 -23.445 0.681 1.00 0.00 H new ATOM 1277 N ARG A 86 -9.833 -24.561 -0.549 1.00 0.00 N ATOM 1278 CA ARG A 86 -9.382 -25.253 -1.750 1.00 0.00 C ATOM 1279 C ARG A 86 -10.454 -25.213 -2.835 1.00 0.00 C ATOM 1280 O ARG A 86 -11.637 -25.041 -2.547 1.00 0.00 O ATOM 1281 CB ARG A 86 -9.024 -26.704 -1.424 1.00 0.00 C ATOM 1282 CG ARG A 86 -10.112 -27.443 -0.662 1.00 0.00 C ATOM 1283 CD ARG A 86 -9.645 -28.822 -0.222 1.00 0.00 C ATOM 1284 NE ARG A 86 -10.372 -29.297 0.953 1.00 0.00 N ATOM 1285 CZ ARG A 86 -10.251 -30.525 1.445 1.00 0.00 C ATOM 1286 NH1 ARG A 86 -9.437 -31.397 0.867 1.00 0.00 N ATOM 1287 NH2 ARG A 86 -10.946 -30.882 2.518 1.00 0.00 N ATOM 0 H ARG A 86 -9.833 -25.135 0.294 1.00 0.00 H new ATOM 0 HA ARG A 86 -8.494 -24.742 -2.122 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -8.817 -27.236 -2.353 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -8.106 -26.720 -0.837 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -10.405 -26.861 0.212 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -10.996 -27.541 -1.292 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -9.779 -29.529 -1.041 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -8.578 -28.790 0.000 1.00 0.00 H new ATOM 0 HE ARG A 86 -11.007 -28.650 1.421 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -8.902 -31.126 0.042 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -9.346 -32.339 1.247 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -11.573 -30.213 2.965 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -10.853 -31.825 2.895 1.00 0.00 H new ATOM 1301 N GLY A 87 -10.030 -25.374 -4.085 1.00 0.00 N ATOM 1302 CA GLY A 87 -10.965 -25.352 -5.195 1.00 0.00 C ATOM 1303 C GLY A 87 -11.974 -24.227 -5.081 1.00 0.00 C ATOM 1304 O GLY A 87 -13.181 -24.451 -5.178 1.00 0.00 O ATOM 0 H GLY A 87 -9.055 -25.519 -4.349 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -10.413 -25.247 -6.129 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -11.492 -26.305 -5.241 1.00 0.00 H new ATOM 1308 N THR A 88 -11.480 -23.010 -4.873 1.00 0.00 N ATOM 1309 CA THR A 88 -12.346 -21.845 -4.743 1.00 0.00 C ATOM 1310 C THR A 88 -11.693 -20.605 -5.343 1.00 0.00 C ATOM 1311 O THR A 88 -10.582 -20.234 -4.966 1.00 0.00 O ATOM 1312 CB THR A 88 -12.694 -21.566 -3.268 1.00 0.00 C ATOM 1313 OG1 THR A 88 -13.423 -22.669 -2.719 1.00 0.00 O ATOM 1314 CG2 THR A 88 -13.517 -20.293 -3.138 1.00 0.00 C ATOM 0 H THR A 88 -10.484 -22.806 -4.791 1.00 0.00 H new ATOM 0 HA THR A 88 -13.262 -22.069 -5.289 1.00 0.00 H new ATOM 0 HB THR A 88 -11.763 -21.436 -2.716 1.00 0.00 H new ATOM 0 HG1 THR A 88 -12.833 -23.448 -2.648 1.00 0.00 H new ATOM 0 HG21 THR A 88 -13.751 -20.116 -2.088 1.00 0.00 H new ATOM 0 HG22 THR A 88 -12.948 -19.450 -3.530 1.00 0.00 H new ATOM 0 HG23 THR A 88 -14.443 -20.399 -3.703 1.00 0.00 H new ATOM 1322 N GLU A 89 -12.392 -19.968 -6.277 1.00 0.00 N ATOM 1323 CA GLU A 89 -11.878 -18.769 -6.929 1.00 0.00 C ATOM 1324 C GLU A 89 -11.836 -17.595 -5.954 1.00 0.00 C ATOM 1325 O GLU A 89 -12.828 -17.287 -5.293 1.00 0.00 O ATOM 1326 CB GLU A 89 -12.743 -18.409 -8.139 1.00 0.00 C ATOM 1327 CG GLU A 89 -12.192 -17.255 -8.959 1.00 0.00 C ATOM 1328 CD GLU A 89 -12.649 -17.296 -10.404 1.00 0.00 C ATOM 1329 OE1 GLU A 89 -13.873 -17.368 -10.639 1.00 0.00 O ATOM 1330 OE2 GLU A 89 -11.780 -17.256 -11.301 1.00 0.00 O ATOM 0 H GLU A 89 -13.314 -20.262 -6.599 1.00 0.00 H new ATOM 0 HA GLU A 89 -10.862 -18.977 -7.266 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -12.839 -19.285 -8.780 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -13.745 -18.154 -7.795 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -12.505 -16.313 -8.509 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -11.103 -17.278 -8.926 1.00 0.00 H new ATOM 1337 N TYR A 90 -10.680 -16.946 -5.869 1.00 0.00 N ATOM 1338 CA TYR A 90 -10.506 -15.809 -4.974 1.00 0.00 C ATOM 1339 C TYR A 90 -9.947 -14.604 -5.724 1.00 0.00 C ATOM 1340 O TYR A 90 -9.010 -14.729 -6.511 1.00 0.00 O ATOM 1341 CB TYR A 90 -9.575 -16.181 -3.818 1.00 0.00 C ATOM 1342 CG TYR A 90 -10.242 -17.011 -2.746 1.00 0.00 C ATOM 1343 CD1 TYR A 90 -11.075 -16.423 -1.802 1.00 0.00 C ATOM 1344 CD2 TYR A 90 -10.041 -18.384 -2.676 1.00 0.00 C ATOM 1345 CE1 TYR A 90 -11.687 -17.177 -0.820 1.00 0.00 C ATOM 1346 CE2 TYR A 90 -10.649 -19.147 -1.698 1.00 0.00 C ATOM 1347 CZ TYR A 90 -11.471 -18.539 -0.772 1.00 0.00 C ATOM 1348 OH TYR A 90 -12.079 -19.294 0.204 1.00 0.00 O ATOM 0 H TYR A 90 -9.850 -17.188 -6.409 1.00 0.00 H new ATOM 0 HA TYR A 90 -11.484 -15.542 -4.574 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -8.721 -16.732 -4.213 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -9.185 -15.268 -3.368 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -11.247 -15.357 -1.837 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -9.398 -18.863 -3.399 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -12.331 -16.703 -0.094 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -10.482 -20.213 -1.659 1.00 0.00 H new ATOM 0 HH TYR A 90 -12.949 -19.607 -0.120 1.00 0.00 H new ATOM 1358 N ASN A 91 -10.531 -13.436 -5.474 1.00 0.00 N ATOM 1359 CA ASN A 91 -10.092 -12.208 -6.126 1.00 0.00 C ATOM 1360 C ASN A 91 -9.178 -11.402 -5.208 1.00 0.00 C ATOM 1361 O ASN A 91 -9.331 -11.423 -3.987 1.00 0.00 O ATOM 1362 CB ASN A 91 -11.300 -11.361 -6.532 1.00 0.00 C ATOM 1363 CG ASN A 91 -12.517 -12.208 -6.853 1.00 0.00 C ATOM 1364 OD1 ASN A 91 -13.501 -12.206 -6.114 1.00 0.00 O ATOM 1365 ND2 ASN A 91 -12.454 -12.937 -7.961 1.00 0.00 N ATOM 0 H ASN A 91 -11.309 -13.315 -4.825 1.00 0.00 H new ATOM 0 HA ASN A 91 -9.531 -12.481 -7.020 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -11.544 -10.670 -5.725 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -11.041 -10.757 -7.402 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -13.242 -13.526 -8.229 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -11.618 -12.908 -8.544 1.00 0.00 H new ATOM 1372 N PHE A 92 -8.227 -10.691 -5.805 1.00 0.00 N ATOM 1373 CA PHE A 92 -7.287 -9.878 -5.042 1.00 0.00 C ATOM 1374 C PHE A 92 -6.972 -8.578 -5.776 1.00 0.00 C ATOM 1375 O PHE A 92 -7.084 -8.500 -7.000 1.00 0.00 O ATOM 1376 CB PHE A 92 -5.996 -10.658 -4.785 1.00 0.00 C ATOM 1377 CG PHE A 92 -6.223 -12.001 -4.154 1.00 0.00 C ATOM 1378 CD1 PHE A 92 -6.843 -13.019 -4.862 1.00 0.00 C ATOM 1379 CD2 PHE A 92 -5.817 -12.247 -2.852 1.00 0.00 C ATOM 1380 CE1 PHE A 92 -7.053 -14.256 -4.283 1.00 0.00 C ATOM 1381 CE2 PHE A 92 -6.024 -13.483 -2.269 1.00 0.00 C ATOM 1382 CZ PHE A 92 -6.644 -14.488 -2.985 1.00 0.00 C ATOM 0 H PHE A 92 -8.087 -10.661 -6.815 1.00 0.00 H new ATOM 0 HA PHE A 92 -7.750 -9.632 -4.087 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -5.469 -10.794 -5.729 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -5.346 -10.067 -4.139 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -7.166 -12.843 -5.878 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -5.333 -11.464 -2.287 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -7.537 -15.041 -4.846 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -5.701 -13.663 -1.254 1.00 0.00 H new ATOM 0 HZ PHE A 92 -6.809 -15.454 -2.530 1.00 0.00 H new ATOM 1392 N ARG A 93 -6.578 -7.558 -5.020 1.00 0.00 N ATOM 1393 CA ARG A 93 -6.248 -6.261 -5.597 1.00 0.00 C ATOM 1394 C ARG A 93 -5.198 -5.542 -4.755 1.00 0.00 C ATOM 1395 O ARG A 93 -5.377 -5.349 -3.552 1.00 0.00 O ATOM 1396 CB ARG A 93 -7.505 -5.396 -5.712 1.00 0.00 C ATOM 1397 CG ARG A 93 -8.092 -4.994 -4.369 1.00 0.00 C ATOM 1398 CD ARG A 93 -9.555 -4.599 -4.497 1.00 0.00 C ATOM 1399 NE ARG A 93 -9.716 -3.287 -5.118 1.00 0.00 N ATOM 1400 CZ ARG A 93 -10.802 -2.536 -4.977 1.00 0.00 C ATOM 1401 NH1 ARG A 93 -11.818 -2.964 -4.239 1.00 0.00 N ATOM 1402 NH2 ARG A 93 -10.874 -1.352 -5.573 1.00 0.00 N ATOM 0 H ARG A 93 -6.480 -7.605 -4.006 1.00 0.00 H new ATOM 0 HA ARG A 93 -5.837 -6.428 -6.593 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -7.266 -4.496 -6.279 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -8.259 -5.940 -6.281 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -7.998 -5.822 -3.667 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -7.523 -4.160 -3.957 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -10.082 -5.347 -5.089 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -10.016 -4.591 -3.509 1.00 0.00 H new ATOM 0 HE ARG A 93 -8.953 -2.928 -5.691 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -11.766 -3.872 -3.778 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -12.651 -2.385 -4.133 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -10.095 -1.018 -6.140 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -11.709 -0.776 -5.464 1.00 0.00 H new ATOM 1416 N VAL A 94 -4.102 -5.149 -5.395 1.00 0.00 N ATOM 1417 CA VAL A 94 -3.023 -4.451 -4.705 1.00 0.00 C ATOM 1418 C VAL A 94 -3.052 -2.957 -5.009 1.00 0.00 C ATOM 1419 O VAL A 94 -3.191 -2.551 -6.162 1.00 0.00 O ATOM 1420 CB VAL A 94 -1.646 -5.017 -5.100 1.00 0.00 C ATOM 1421 CG1 VAL A 94 -0.531 -4.216 -4.444 1.00 0.00 C ATOM 1422 CG2 VAL A 94 -1.548 -6.488 -4.727 1.00 0.00 C ATOM 0 H VAL A 94 -3.937 -5.302 -6.390 1.00 0.00 H new ATOM 0 HA VAL A 94 -3.178 -4.605 -3.637 1.00 0.00 H new ATOM 0 HB VAL A 94 -1.534 -4.932 -6.181 1.00 0.00 H new ATOM 0 HG11 VAL A 94 0.434 -4.631 -4.735 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -0.591 -3.177 -4.766 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -0.636 -4.266 -3.360 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -0.569 -6.871 -5.013 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -1.681 -6.600 -3.651 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -2.324 -7.048 -5.249 1.00 0.00 H new ATOM 1432 N ALA A 95 -2.920 -2.144 -3.966 1.00 0.00 N ATOM 1433 CA ALA A 95 -2.929 -0.695 -4.121 1.00 0.00 C ATOM 1434 C ALA A 95 -1.822 -0.048 -3.295 1.00 0.00 C ATOM 1435 O ALA A 95 -1.531 -0.483 -2.182 1.00 0.00 O ATOM 1436 CB ALA A 95 -4.285 -0.130 -3.724 1.00 0.00 C ATOM 0 H ALA A 95 -2.806 -2.465 -3.004 1.00 0.00 H new ATOM 0 HA ALA A 95 -2.745 -0.465 -5.171 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -4.277 0.953 -3.845 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -5.059 -0.560 -4.360 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -4.492 -0.378 -2.683 1.00 0.00 H new ATOM 1442 N ALA A 96 -1.209 0.993 -3.849 1.00 0.00 N ATOM 1443 CA ALA A 96 -0.135 1.700 -3.163 1.00 0.00 C ATOM 1444 C ALA A 96 -0.689 2.803 -2.267 1.00 0.00 C ATOM 1445 O ALA A 96 -1.629 3.506 -2.639 1.00 0.00 O ATOM 1446 CB ALA A 96 0.844 2.281 -4.173 1.00 0.00 C ATOM 0 H ALA A 96 -1.438 1.365 -4.771 1.00 0.00 H new ATOM 0 HA ALA A 96 0.392 0.985 -2.532 1.00 0.00 H new ATOM 0 HB1 ALA A 96 1.641 2.806 -3.647 1.00 0.00 H new ATOM 0 HB2 ALA A 96 1.273 1.475 -4.769 1.00 0.00 H new ATOM 0 HB3 ALA A 96 0.321 2.978 -4.828 1.00 0.00 H new ATOM 1452 N LEU A 97 -0.101 2.948 -1.084 1.00 0.00 N ATOM 1453 CA LEU A 97 -0.537 3.965 -0.133 1.00 0.00 C ATOM 1454 C LEU A 97 0.608 4.912 0.213 1.00 0.00 C ATOM 1455 O LEU A 97 1.752 4.488 0.376 1.00 0.00 O ATOM 1456 CB LEU A 97 -1.071 3.306 1.139 1.00 0.00 C ATOM 1457 CG LEU A 97 -2.179 2.270 0.944 1.00 0.00 C ATOM 1458 CD1 LEU A 97 -2.118 1.212 2.035 1.00 0.00 C ATOM 1459 CD2 LEU A 97 -3.543 2.944 0.927 1.00 0.00 C ATOM 0 H LEU A 97 0.678 2.375 -0.761 1.00 0.00 H new ATOM 0 HA LEU A 97 -1.336 4.544 -0.597 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -0.238 2.826 1.652 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -1.445 4.088 1.800 1.00 0.00 H new ATOM 0 HG LEU A 97 -2.027 1.780 -0.018 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -2.914 0.483 1.880 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -1.152 0.708 1.999 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -2.244 1.686 3.009 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -4.319 2.191 0.787 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -3.705 3.461 1.873 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -3.583 3.663 0.109 1.00 0.00 H new ATOM 1471 N THR A 98 0.291 6.199 0.327 1.00 0.00 N ATOM 1472 CA THR A 98 1.292 7.206 0.655 1.00 0.00 C ATOM 1473 C THR A 98 0.742 8.224 1.647 1.00 0.00 C ATOM 1474 O THR A 98 -0.444 8.203 1.980 1.00 0.00 O ATOM 1475 CB THR A 98 1.778 7.946 -0.605 1.00 0.00 C ATOM 1476 OG1 THR A 98 0.716 8.736 -1.151 1.00 0.00 O ATOM 1477 CG2 THR A 98 2.274 6.961 -1.653 1.00 0.00 C ATOM 0 H THR A 98 -0.651 6.568 0.197 1.00 0.00 H new ATOM 0 HA THR A 98 2.134 6.680 1.106 1.00 0.00 H new ATOM 0 HB THR A 98 2.604 8.597 -0.320 1.00 0.00 H new ATOM 0 HG1 THR A 98 1.004 9.670 -1.217 1.00 0.00 H new ATOM 0 HG21 THR A 98 2.612 7.507 -2.534 1.00 0.00 H new ATOM 0 HG22 THR A 98 3.102 6.382 -1.245 1.00 0.00 H new ATOM 0 HG23 THR A 98 1.463 6.288 -1.932 1.00 0.00 H new ATOM 1485 N ILE A 99 1.610 9.114 2.117 1.00 0.00 N ATOM 1486 CA ILE A 99 1.209 10.141 3.070 1.00 0.00 C ATOM 1487 C ILE A 99 0.061 10.983 2.522 1.00 0.00 C ATOM 1488 O ILE A 99 -0.790 11.454 3.275 1.00 0.00 O ATOM 1489 CB ILE A 99 2.386 11.069 3.425 1.00 0.00 C ATOM 1490 CG1 ILE A 99 1.879 12.320 4.146 1.00 0.00 C ATOM 1491 CG2 ILE A 99 3.158 11.450 2.171 1.00 0.00 C ATOM 1492 CD1 ILE A 99 2.908 12.952 5.056 1.00 0.00 C ATOM 0 H ILE A 99 2.595 9.144 1.853 1.00 0.00 H new ATOM 0 HA ILE A 99 0.879 9.623 3.971 1.00 0.00 H new ATOM 0 HB ILE A 99 3.060 10.535 4.095 1.00 0.00 H new ATOM 0 HG12 ILE A 99 1.562 13.053 3.404 1.00 0.00 H new ATOM 0 HG13 ILE A 99 0.998 12.059 4.733 1.00 0.00 H new ATOM 0 HG21 ILE A 99 3.986 12.106 2.439 1.00 0.00 H new ATOM 0 HG22 ILE A 99 3.547 10.550 1.696 1.00 0.00 H new ATOM 0 HG23 ILE A 99 2.494 11.968 1.479 1.00 0.00 H new ATOM 0 HD11 ILE A 99 2.479 13.833 5.533 1.00 0.00 H new ATOM 0 HD12 ILE A 99 3.207 12.235 5.820 1.00 0.00 H new ATOM 0 HD13 ILE A 99 3.780 13.244 4.471 1.00 0.00 H new ATOM 1504 N ASN A 100 0.044 11.165 1.206 1.00 0.00 N ATOM 1505 CA ASN A 100 -1.000 11.948 0.556 1.00 0.00 C ATOM 1506 C ASN A 100 -2.356 11.262 0.687 1.00 0.00 C ATOM 1507 O ASN A 100 -3.400 11.885 0.501 1.00 0.00 O ATOM 1508 CB ASN A 100 -0.664 12.159 -0.922 1.00 0.00 C ATOM 1509 CG ASN A 100 0.772 12.601 -1.130 1.00 0.00 C ATOM 1510 OD1 ASN A 100 1.657 11.780 -1.372 1.00 0.00 O ATOM 1511 ND2 ASN A 100 1.009 13.904 -1.037 1.00 0.00 N ATOM 0 H ASN A 100 0.742 10.781 0.569 1.00 0.00 H new ATOM 0 HA ASN A 100 -1.053 12.917 1.052 1.00 0.00 H new ATOM 0 HB2 ASN A 100 -0.839 11.232 -1.468 1.00 0.00 H new ATOM 0 HB3 ASN A 100 -1.336 12.907 -1.342 1.00 0.00 H new ATOM 0 HD21 ASN A 100 1.956 14.261 -1.168 1.00 0.00 H new ATOM 0 HD22 ASN A 100 0.245 14.548 -0.835 1.00 0.00 H new ATOM 1518 N GLY A 101 -2.332 9.972 1.010 1.00 0.00 N ATOM 1519 CA GLY A 101 -3.565 9.222 1.162 1.00 0.00 C ATOM 1520 C GLY A 101 -3.446 7.801 0.646 1.00 0.00 C ATOM 1521 O GLY A 101 -2.481 7.100 0.951 1.00 0.00 O ATOM 0 H GLY A 101 -1.481 9.433 1.169 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -3.846 9.201 2.215 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -4.366 9.733 0.628 1.00 0.00 H new ATOM 1525 N THR A 102 -4.432 7.373 -0.137 1.00 0.00 N ATOM 1526 CA THR A 102 -4.435 6.027 -0.694 1.00 0.00 C ATOM 1527 C THR A 102 -4.179 6.052 -2.196 1.00 0.00 C ATOM 1528 O THR A 102 -4.202 7.111 -2.822 1.00 0.00 O ATOM 1529 CB THR A 102 -5.773 5.311 -0.425 1.00 0.00 C ATOM 1530 OG1 THR A 102 -6.863 6.127 -0.869 1.00 0.00 O ATOM 1531 CG2 THR A 102 -5.934 5.003 1.056 1.00 0.00 C ATOM 0 H THR A 102 -5.238 7.940 -0.399 1.00 0.00 H new ATOM 0 HA THR A 102 -3.632 5.480 -0.201 1.00 0.00 H new ATOM 0 HB THR A 102 -5.774 4.371 -0.977 1.00 0.00 H new ATOM 0 HG1 THR A 102 -7.709 5.664 -0.696 1.00 0.00 H new ATOM 0 HG21 THR A 102 -6.886 4.498 1.221 1.00 0.00 H new ATOM 0 HG22 THR A 102 -5.119 4.358 1.384 1.00 0.00 H new ATOM 0 HG23 THR A 102 -5.913 5.932 1.625 1.00 0.00 H new ATOM 1539 N GLY A 103 -3.934 4.878 -2.770 1.00 0.00 N ATOM 1540 CA GLY A 103 -3.677 4.788 -4.196 1.00 0.00 C ATOM 1541 C GLY A 103 -4.639 3.852 -4.901 1.00 0.00 C ATOM 1542 O GLY A 103 -5.514 3.245 -4.282 1.00 0.00 O ATOM 0 H GLY A 103 -3.909 3.988 -2.273 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -3.751 5.781 -4.639 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -2.656 4.443 -4.357 1.00 0.00 H new ATOM 1546 N PRO A 104 -4.484 3.727 -6.227 1.00 0.00 N ATOM 1547 CA PRO A 104 -5.338 2.862 -7.046 1.00 0.00 C ATOM 1548 C PRO A 104 -5.089 1.381 -6.778 1.00 0.00 C ATOM 1549 O PRO A 104 -3.983 0.985 -6.411 1.00 0.00 O ATOM 1550 CB PRO A 104 -4.938 3.221 -8.479 1.00 0.00 C ATOM 1551 CG PRO A 104 -3.544 3.734 -8.365 1.00 0.00 C ATOM 1552 CD PRO A 104 -3.463 4.421 -7.030 1.00 0.00 C ATOM 0 HA PRO A 104 -6.396 3.015 -6.834 1.00 0.00 H new ATOM 0 HB2 PRO A 104 -4.988 2.351 -9.134 1.00 0.00 H new ATOM 0 HB3 PRO A 104 -5.604 3.974 -8.899 1.00 0.00 H new ATOM 0 HG2 PRO A 104 -2.822 2.920 -8.429 1.00 0.00 H new ATOM 0 HG3 PRO A 104 -3.316 4.427 -9.175 1.00 0.00 H new ATOM 0 HD2 PRO A 104 -2.471 4.325 -6.588 1.00 0.00 H new ATOM 0 HD3 PRO A 104 -3.674 5.487 -7.113 1.00 0.00 H new ATOM 1560 N ALA A 105 -6.123 0.568 -6.966 1.00 0.00 N ATOM 1561 CA ALA A 105 -6.015 -0.869 -6.747 1.00 0.00 C ATOM 1562 C ALA A 105 -6.038 -1.629 -8.069 1.00 0.00 C ATOM 1563 O ALA A 105 -6.911 -1.407 -8.909 1.00 0.00 O ATOM 1564 CB ALA A 105 -7.137 -1.350 -5.839 1.00 0.00 C ATOM 0 H ALA A 105 -7.045 0.880 -7.270 1.00 0.00 H new ATOM 0 HA ALA A 105 -5.060 -1.067 -6.261 1.00 0.00 H new ATOM 0 HB1 ALA A 105 -7.044 -2.425 -5.684 1.00 0.00 H new ATOM 0 HB2 ALA A 105 -7.073 -0.838 -4.879 1.00 0.00 H new ATOM 0 HB3 ALA A 105 -8.099 -1.132 -6.303 1.00 0.00 H new ATOM 1570 N THR A 106 -5.073 -2.525 -8.248 1.00 0.00 N ATOM 1571 CA THR A 106 -4.982 -3.317 -9.468 1.00 0.00 C ATOM 1572 C THR A 106 -6.320 -3.968 -9.803 1.00 0.00 C ATOM 1573 O THR A 106 -7.223 -4.017 -8.968 1.00 0.00 O ATOM 1574 CB THR A 106 -3.907 -4.413 -9.349 1.00 0.00 C ATOM 1575 OG1 THR A 106 -4.245 -5.318 -8.292 1.00 0.00 O ATOM 1576 CG2 THR A 106 -2.539 -3.802 -9.082 1.00 0.00 C ATOM 0 H THR A 106 -4.343 -2.720 -7.563 1.00 0.00 H new ATOM 0 HA THR A 106 -4.704 -2.631 -10.268 1.00 0.00 H new ATOM 0 HB THR A 106 -3.867 -4.956 -10.293 1.00 0.00 H new ATOM 0 HG1 THR A 106 -4.792 -6.048 -8.649 1.00 0.00 H new ATOM 0 HG21 THR A 106 -1.796 -4.595 -9.002 1.00 0.00 H new ATOM 0 HG22 THR A 106 -2.272 -3.136 -9.902 1.00 0.00 H new ATOM 0 HG23 THR A 106 -2.568 -3.237 -8.150 1.00 0.00 H new ATOM 1584 N ASP A 107 -6.439 -4.466 -11.028 1.00 0.00 N ATOM 1585 CA ASP A 107 -7.667 -5.117 -11.472 1.00 0.00 C ATOM 1586 C ASP A 107 -8.011 -6.300 -10.573 1.00 0.00 C ATOM 1587 O ASP A 107 -7.206 -6.712 -9.738 1.00 0.00 O ATOM 1588 CB ASP A 107 -7.525 -5.586 -12.921 1.00 0.00 C ATOM 1589 CG ASP A 107 -8.865 -5.748 -13.611 1.00 0.00 C ATOM 1590 OD1 ASP A 107 -9.695 -4.819 -13.520 1.00 0.00 O ATOM 1591 OD2 ASP A 107 -9.085 -6.804 -14.241 1.00 0.00 O ATOM 0 H ASP A 107 -5.701 -4.432 -11.731 1.00 0.00 H new ATOM 0 HA ASP A 107 -8.477 -4.390 -11.411 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -6.919 -4.868 -13.474 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -6.992 -6.536 -12.942 1.00 0.00 H new ATOM 1596 N TRP A 108 -9.211 -6.840 -10.749 1.00 0.00 N ATOM 1597 CA TRP A 108 -9.663 -7.975 -9.952 1.00 0.00 C ATOM 1598 C TRP A 108 -9.081 -9.280 -10.486 1.00 0.00 C ATOM 1599 O TRP A 108 -9.665 -9.920 -11.361 1.00 0.00 O ATOM 1600 CB TRP A 108 -11.190 -8.047 -9.949 1.00 0.00 C ATOM 1601 CG TRP A 108 -11.823 -7.188 -8.897 1.00 0.00 C ATOM 1602 CD1 TRP A 108 -12.687 -6.149 -9.097 1.00 0.00 C ATOM 1603 CD2 TRP A 108 -11.640 -7.292 -7.481 1.00 0.00 C ATOM 1604 NE1 TRP A 108 -13.052 -5.602 -7.891 1.00 0.00 N ATOM 1605 CE2 TRP A 108 -12.424 -6.286 -6.884 1.00 0.00 C ATOM 1606 CE3 TRP A 108 -10.892 -8.139 -6.659 1.00 0.00 C ATOM 1607 CZ2 TRP A 108 -12.478 -6.104 -5.505 1.00 0.00 C ATOM 1608 CZ3 TRP A 108 -10.946 -7.958 -5.290 1.00 0.00 C ATOM 1609 CH2 TRP A 108 -11.735 -6.948 -4.724 1.00 0.00 C ATOM 0 H TRP A 108 -9.889 -6.511 -11.436 1.00 0.00 H new ATOM 0 HA TRP A 108 -9.312 -7.833 -8.930 1.00 0.00 H new ATOM 0 HB2 TRP A 108 -11.563 -7.745 -10.928 1.00 0.00 H new ATOM 0 HB3 TRP A 108 -11.498 -9.082 -9.797 1.00 0.00 H new ATOM 0 HD1 TRP A 108 -13.032 -5.808 -10.062 1.00 0.00 H new ATOM 0 HE1 TRP A 108 -13.688 -4.814 -7.766 1.00 0.00 H new ATOM 0 HE3 TRP A 108 -10.282 -8.921 -7.086 1.00 0.00 H new ATOM 0 HZ2 TRP A 108 -13.084 -5.325 -5.067 1.00 0.00 H new ATOM 0 HZ3 TRP A 108 -10.370 -8.606 -4.646 1.00 0.00 H new ATOM 0 HH2 TRP A 108 -11.758 -6.833 -3.650 1.00 0.00 H new ATOM 1620 N LEU A 109 -7.928 -9.670 -9.953 1.00 0.00 N ATOM 1621 CA LEU A 109 -7.267 -10.900 -10.376 1.00 0.00 C ATOM 1622 C LEU A 109 -7.801 -12.099 -9.600 1.00 0.00 C ATOM 1623 O LEU A 109 -7.573 -12.225 -8.397 1.00 0.00 O ATOM 1624 CB LEU A 109 -5.755 -10.783 -10.180 1.00 0.00 C ATOM 1625 CG LEU A 109 -4.888 -11.583 -11.153 1.00 0.00 C ATOM 1626 CD1 LEU A 109 -5.016 -11.027 -12.563 1.00 0.00 C ATOM 1627 CD2 LEU A 109 -3.434 -11.573 -10.704 1.00 0.00 C ATOM 0 H LEU A 109 -7.432 -9.153 -9.227 1.00 0.00 H new ATOM 0 HA LEU A 109 -7.479 -11.052 -11.434 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -5.479 -9.732 -10.259 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -5.515 -11.100 -9.165 1.00 0.00 H new ATOM 0 HG LEU A 109 -5.239 -12.615 -11.158 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -4.392 -11.609 -13.242 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -6.056 -11.087 -12.885 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -4.692 -9.986 -12.575 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -2.832 -12.147 -11.408 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -3.071 -10.546 -10.669 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -3.356 -12.019 -9.712 1.00 0.00 H new ATOM 1639 N SER A 110 -8.512 -12.980 -10.297 1.00 0.00 N ATOM 1640 CA SER A 110 -9.079 -14.170 -9.673 1.00 0.00 C ATOM 1641 C SER A 110 -8.105 -15.341 -9.749 1.00 0.00 C ATOM 1642 O SER A 110 -7.455 -15.556 -10.772 1.00 0.00 O ATOM 1643 CB SER A 110 -10.400 -14.545 -10.348 1.00 0.00 C ATOM 1644 OG SER A 110 -11.219 -13.404 -10.536 1.00 0.00 O ATOM 0 H SER A 110 -8.709 -12.892 -11.294 1.00 0.00 H new ATOM 0 HA SER A 110 -9.267 -13.945 -8.623 1.00 0.00 H new ATOM 0 HB2 SER A 110 -10.199 -15.015 -11.311 1.00 0.00 H new ATOM 0 HB3 SER A 110 -10.928 -15.279 -9.739 1.00 0.00 H new ATOM 0 HG SER A 110 -12.056 -13.670 -10.970 1.00 0.00 H new ATOM 1650 N ALA A 111 -8.010 -16.096 -8.659 1.00 0.00 N ATOM 1651 CA ALA A 111 -7.117 -17.247 -8.603 1.00 0.00 C ATOM 1652 C ALA A 111 -7.816 -18.454 -7.987 1.00 0.00 C ATOM 1653 O ALA A 111 -8.435 -18.350 -6.929 1.00 0.00 O ATOM 1654 CB ALA A 111 -5.862 -16.902 -7.815 1.00 0.00 C ATOM 0 H ALA A 111 -8.540 -15.931 -7.803 1.00 0.00 H new ATOM 0 HA ALA A 111 -6.833 -17.506 -9.623 1.00 0.00 H new ATOM 0 HB1 ALA A 111 -5.204 -17.770 -7.781 1.00 0.00 H new ATOM 0 HB2 ALA A 111 -5.345 -16.073 -8.299 1.00 0.00 H new ATOM 0 HB3 ALA A 111 -6.137 -16.615 -6.800 1.00 0.00 H new ATOM 1660 N GLU A 112 -7.713 -19.597 -8.657 1.00 0.00 N ATOM 1661 CA GLU A 112 -8.338 -20.823 -8.175 1.00 0.00 C ATOM 1662 C GLU A 112 -7.326 -21.695 -7.437 1.00 0.00 C ATOM 1663 O GLU A 112 -6.385 -22.219 -8.036 1.00 0.00 O ATOM 1664 CB GLU A 112 -8.946 -21.605 -9.342 1.00 0.00 C ATOM 1665 CG GLU A 112 -10.098 -22.508 -8.934 1.00 0.00 C ATOM 1666 CD GLU A 112 -10.824 -23.101 -10.126 1.00 0.00 C ATOM 1667 OE1 GLU A 112 -10.902 -22.422 -11.172 1.00 0.00 O ATOM 1668 OE2 GLU A 112 -11.314 -24.244 -10.013 1.00 0.00 O ATOM 0 H GLU A 112 -7.203 -19.700 -9.534 1.00 0.00 H new ATOM 0 HA GLU A 112 -9.131 -20.547 -7.479 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -9.297 -20.901 -10.097 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -8.168 -22.210 -9.808 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -9.718 -23.314 -8.307 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -10.804 -21.939 -8.329 1.00 0.00 H new ATOM 1675 N THR A 113 -7.526 -21.847 -6.131 1.00 0.00 N ATOM 1676 CA THR A 113 -6.631 -22.653 -5.310 1.00 0.00 C ATOM 1677 C THR A 113 -6.615 -24.105 -5.777 1.00 0.00 C ATOM 1678 O THR A 113 -7.472 -24.527 -6.554 1.00 0.00 O ATOM 1679 CB THR A 113 -7.039 -22.608 -3.825 1.00 0.00 C ATOM 1680 OG1 THR A 113 -8.456 -22.442 -3.711 1.00 0.00 O ATOM 1681 CG2 THR A 113 -6.330 -21.471 -3.105 1.00 0.00 C ATOM 0 H THR A 113 -8.300 -21.422 -5.620 1.00 0.00 H new ATOM 0 HA THR A 113 -5.633 -22.228 -5.419 1.00 0.00 H new ATOM 0 HB THR A 113 -6.746 -23.550 -3.361 1.00 0.00 H new ATOM 0 HG1 THR A 113 -8.728 -22.584 -2.780 1.00 0.00 H new ATOM 0 HG21 THR A 113 -6.633 -21.458 -2.058 1.00 0.00 H new ATOM 0 HG22 THR A 113 -5.252 -21.616 -3.169 1.00 0.00 H new ATOM 0 HG23 THR A 113 -6.597 -20.523 -3.571 1.00 0.00 H new ATOM 1689 N PHE A 114 -5.636 -24.864 -5.297 1.00 0.00 N ATOM 1690 CA PHE A 114 -5.509 -26.270 -5.665 1.00 0.00 C ATOM 1691 C PHE A 114 -6.542 -27.120 -4.932 1.00 0.00 C ATOM 1692 O PHE A 114 -6.638 -27.076 -3.706 1.00 0.00 O ATOM 1693 CB PHE A 114 -4.099 -26.775 -5.351 1.00 0.00 C ATOM 1694 CG PHE A 114 -3.019 -26.034 -6.085 1.00 0.00 C ATOM 1695 CD1 PHE A 114 -2.910 -26.126 -7.463 1.00 0.00 C ATOM 1696 CD2 PHE A 114 -2.111 -25.245 -5.397 1.00 0.00 C ATOM 1697 CE1 PHE A 114 -1.917 -25.445 -8.142 1.00 0.00 C ATOM 1698 CE2 PHE A 114 -1.117 -24.561 -6.070 1.00 0.00 C ATOM 1699 CZ PHE A 114 -1.019 -24.662 -7.444 1.00 0.00 C ATOM 0 H PHE A 114 -4.919 -24.530 -4.653 1.00 0.00 H new ATOM 0 HA PHE A 114 -5.689 -26.357 -6.737 1.00 0.00 H new ATOM 0 HB2 PHE A 114 -3.922 -26.691 -4.279 1.00 0.00 H new ATOM 0 HB3 PHE A 114 -4.037 -27.834 -5.602 1.00 0.00 H new ATOM 0 HD1 PHE A 114 -3.610 -26.737 -8.014 1.00 0.00 H new ATOM 0 HD2 PHE A 114 -2.181 -25.164 -4.322 1.00 0.00 H new ATOM 0 HE1 PHE A 114 -1.844 -25.525 -9.217 1.00 0.00 H new ATOM 0 HE2 PHE A 114 -0.417 -23.948 -5.522 1.00 0.00 H new ATOM 0 HZ PHE A 114 -0.241 -24.130 -7.971 1.00 0.00 H new ATOM 1709 N GLU A 115 -7.311 -27.893 -5.692 1.00 0.00 N ATOM 1710 CA GLU A 115 -8.338 -28.752 -5.115 1.00 0.00 C ATOM 1711 C GLU A 115 -7.790 -29.526 -3.919 1.00 0.00 C ATOM 1712 O GLU A 115 -8.543 -29.951 -3.043 1.00 0.00 O ATOM 1713 CB GLU A 115 -8.870 -29.727 -6.167 1.00 0.00 C ATOM 1714 CG GLU A 115 -9.860 -29.099 -7.133 1.00 0.00 C ATOM 1715 CD GLU A 115 -9.971 -29.866 -8.437 1.00 0.00 C ATOM 1716 OE1 GLU A 115 -10.568 -30.963 -8.430 1.00 0.00 O ATOM 1717 OE2 GLU A 115 -9.459 -29.371 -9.462 1.00 0.00 O ATOM 0 H GLU A 115 -7.242 -27.942 -6.709 1.00 0.00 H new ATOM 0 HA GLU A 115 -9.156 -28.118 -4.772 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -8.031 -30.132 -6.732 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -9.349 -30.566 -5.663 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -10.841 -29.049 -6.661 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -9.556 -28.074 -7.344 1.00 0.00 H new ATOM 1724 N SER A 116 -6.473 -29.706 -3.892 1.00 0.00 N ATOM 1725 CA SER A 116 -5.824 -30.433 -2.807 1.00 0.00 C ATOM 1726 C SER A 116 -4.449 -29.844 -2.505 1.00 0.00 C ATOM 1727 O SER A 116 -3.753 -29.371 -3.404 1.00 0.00 O ATOM 1728 CB SER A 116 -5.689 -31.914 -3.166 1.00 0.00 C ATOM 1729 OG SER A 116 -4.939 -32.610 -2.185 1.00 0.00 O ATOM 0 H SER A 116 -5.835 -29.359 -4.608 1.00 0.00 H new ATOM 0 HA SER A 116 -6.445 -30.338 -1.916 1.00 0.00 H new ATOM 0 HB2 SER A 116 -6.679 -32.361 -3.257 1.00 0.00 H new ATOM 0 HB3 SER A 116 -5.204 -32.013 -4.137 1.00 0.00 H new ATOM 0 HG SER A 116 -4.868 -33.555 -2.436 1.00 0.00 H new