USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 633 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 94 SER OG : rot -81:sc= 1.4 USER MOD Set 1.2: A 109 THR OG1 : rot -26:sc= 1.04 USER MOD Set 2.1: A 96 MET CE :methyl -109:sc= -1.38 (180deg=-1.9) USER MOD Set 2.2: A 98 THR OG1 : rot -113:sc= 1.27 USER MOD Set 2.3: A 103 SER OG : rot 180:sc= 0.985 USER MOD Set 3.1: A 31 THR OG1 : rot -95:sc= 0.877 USER MOD Set 3.2: A 32 HIS : no HD1:sc= -1.39 K(o=-0.51,f=-3.8) USER MOD Single : A 19 MET CE :methyl -172:sc= -4.89! (180deg=-5.03!) USER MOD Single : A 26 GLN : amide:sc= 0 K(o=0,f=-0.89) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 180:sc=-0.00777 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 70 TYR OH : rot -124:sc= 1.17 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 SER OG : rot 180:sc= -0.423 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0.0014 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 80 TYR OH : rot -37:sc= -0.76 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ -116:sc= -0.0757 (180deg=-1.18) USER MOD Single : A 88 ASN :FLIP amide:sc= -3.2! C(o=-4.7!,f=-3.2!) USER MOD Single : A 89 THR OG1 : rot 67:sc= -0.0553 USER MOD Single : A 90 MET CE :methyl 155:sc= -0.2 (180deg=-1.09) USER MOD Single : A 91 TYR OH : rot 73:sc= 0.758 USER MOD Single : A 99 LYS NZ :NH3+ 154:sc= -0.112 (180deg=-0.483) USER MOD Single : A 100 ASN : amide:sc= -0.147 K(o=-0.15,f=-2.1!) USER MOD Single : A 104 SER OG : rot 180:sc= -0.255 USER MOD Single : A 105 THR OG1 : rot 180:sc= -0.0481 USER MOD Single : A 107 SER OG : rot 144:sc= 0.283 USER MOD Single : A 108 MET CE :methyl -126:sc= -0.0323 (180deg=-0.748) USER MOD Single : A 111 HIS : no HD1:sc= -0.115 X(o=-0.11,f=-0.42) USER MOD Single : A 113 THR OG1 : rot 180:sc= -0.0362 USER MOD Single : A 114 THR OG1 : rot -76:sc= 1.35 USER MOD Single : A 115 TYR OH : rot 172:sc= 0.141 USER MOD ----------------------------------------------------------------- ATOM 225 N MET A 19 4.840 17.755 3.329 1.00 0.00 N ATOM 226 CA MET A 19 3.929 17.089 2.405 1.00 0.00 C ATOM 227 C MET A 19 3.006 16.130 3.150 1.00 0.00 C ATOM 228 O MET A 19 3.432 15.429 4.069 1.00 0.00 O ATOM 229 CB MET A 19 4.717 16.329 1.337 1.00 0.00 C ATOM 230 CG MET A 19 5.226 17.216 0.211 1.00 0.00 C ATOM 231 SD MET A 19 3.900 17.813 -0.855 1.00 0.00 S ATOM 232 CE MET A 19 3.479 16.316 -1.743 1.00 0.00 C ATOM 0 HA MET A 19 3.319 17.852 1.922 1.00 0.00 H new ATOM 0 HB2 MET A 19 5.565 15.831 1.808 1.00 0.00 H new ATOM 0 HB3 MET A 19 4.083 15.549 0.916 1.00 0.00 H new ATOM 0 HG2 MET A 19 5.757 18.068 0.636 1.00 0.00 H new ATOM 0 HG3 MET A 19 5.946 16.659 -0.388 1.00 0.00 H new ATOM 0 HE1 MET A 19 2.773 16.552 -2.540 1.00 0.00 H new ATOM 0 HE2 MET A 19 4.382 15.883 -2.174 1.00 0.00 H new ATOM 0 HE3 MET A 19 3.025 15.601 -1.057 1.00 0.00 H new ATOM 242 N LEU A 20 1.740 16.104 2.749 1.00 0.00 N ATOM 243 CA LEU A 20 0.755 15.230 3.379 1.00 0.00 C ATOM 244 C LEU A 20 0.506 13.989 2.529 1.00 0.00 C ATOM 245 O LEU A 20 0.058 14.069 1.385 1.00 0.00 O ATOM 246 CB LEU A 20 -0.558 15.984 3.599 1.00 0.00 C ATOM 247 CG LEU A 20 -1.429 15.491 4.755 1.00 0.00 C ATOM 248 CD1 LEU A 20 -1.998 14.115 4.446 1.00 0.00 C ATOM 249 CD2 LEU A 20 -0.630 15.462 6.050 1.00 0.00 C ATOM 0 H LEU A 20 1.371 16.678 1.991 1.00 0.00 H new ATOM 0 HA LEU A 20 1.151 14.913 4.344 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -0.326 17.036 3.768 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -1.143 15.930 2.681 1.00 0.00 H new ATOM 0 HG LEU A 20 -2.260 16.185 4.880 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -2.615 13.781 5.280 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -2.606 14.167 3.543 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -1.181 13.409 4.293 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -1.266 15.109 6.862 1.00 0.00 H new ATOM 0 HD22 LEU A 20 0.221 14.791 5.937 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -0.273 16.466 6.280 1.00 0.00 H new ATOM 261 N PRO A 21 0.800 12.811 3.100 1.00 0.00 N ATOM 262 CA PRO A 21 0.614 11.530 2.414 1.00 0.00 C ATOM 263 C PRO A 21 -0.859 11.182 2.226 1.00 0.00 C ATOM 264 O PRO A 21 -1.746 11.780 2.836 1.00 0.00 O ATOM 265 CB PRO A 21 1.286 10.524 3.352 1.00 0.00 C ATOM 266 CG PRO A 21 1.223 11.160 4.697 1.00 0.00 C ATOM 267 CD PRO A 21 1.338 12.641 4.461 1.00 0.00 C ATOM 0 HA PRO A 21 1.034 11.541 1.408 1.00 0.00 H new ATOM 0 HB2 PRO A 21 0.767 9.566 3.342 1.00 0.00 H new ATOM 0 HB3 PRO A 21 2.316 10.331 3.053 1.00 0.00 H new ATOM 0 HG2 PRO A 21 0.287 10.917 5.200 1.00 0.00 H new ATOM 0 HG3 PRO A 21 2.031 10.803 5.336 1.00 0.00 H new ATOM 0 HD2 PRO A 21 0.766 13.211 5.194 1.00 0.00 H new ATOM 0 HD3 PRO A 21 2.372 12.980 4.530 1.00 0.00 H new ATOM 275 N PRO A 22 -1.129 10.191 1.363 1.00 0.00 N ATOM 276 CA PRO A 22 -2.494 9.740 1.077 1.00 0.00 C ATOM 277 C PRO A 22 -3.125 9.014 2.260 1.00 0.00 C ATOM 278 O PRO A 22 -2.489 8.825 3.297 1.00 0.00 O ATOM 279 CB PRO A 22 -2.311 8.782 -0.103 1.00 0.00 C ATOM 280 CG PRO A 22 -0.910 8.292 0.021 1.00 0.00 C ATOM 281 CD PRO A 22 -0.122 9.434 0.602 1.00 0.00 C ATOM 0 HA PRO A 22 -3.163 10.574 0.867 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -3.024 7.959 -0.059 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -2.470 9.290 -1.054 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -0.859 7.415 0.666 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -0.512 7.997 -0.950 1.00 0.00 H new ATOM 0 HD2 PRO A 22 0.684 9.080 1.244 1.00 0.00 H new ATOM 0 HD3 PRO A 22 0.335 10.044 -0.177 1.00 0.00 H new ATOM 289 N VAL A 23 -4.380 8.608 2.098 1.00 0.00 N ATOM 290 CA VAL A 23 -5.097 7.900 3.152 1.00 0.00 C ATOM 291 C VAL A 23 -5.966 6.788 2.575 1.00 0.00 C ATOM 292 O VAL A 23 -5.935 6.521 1.374 1.00 0.00 O ATOM 293 CB VAL A 23 -5.984 8.859 3.968 1.00 0.00 C ATOM 294 CG1 VAL A 23 -5.165 10.027 4.495 1.00 0.00 C ATOM 295 CG2 VAL A 23 -7.151 9.352 3.125 1.00 0.00 C ATOM 0 H VAL A 23 -4.922 8.757 1.247 1.00 0.00 H new ATOM 0 HA VAL A 23 -4.345 7.464 3.809 1.00 0.00 H new ATOM 0 HB VAL A 23 -6.387 8.315 4.822 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -5.809 10.693 5.069 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -4.367 9.652 5.136 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -4.731 10.574 3.658 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -7.767 10.028 3.717 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -6.771 9.880 2.250 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -7.752 8.502 2.803 1.00 0.00 H new ATOM 305 N GLY A 24 -6.743 6.142 3.440 1.00 0.00 N ATOM 306 CA GLY A 24 -7.610 5.066 2.997 1.00 0.00 C ATOM 307 C GLY A 24 -6.907 4.102 2.063 1.00 0.00 C ATOM 308 O GLY A 24 -7.533 3.513 1.181 1.00 0.00 O ATOM 0 H GLY A 24 -6.787 6.345 4.439 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -7.980 4.521 3.865 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -8.479 5.488 2.492 1.00 0.00 H new ATOM 312 N VAL A 25 -5.602 3.939 2.255 1.00 0.00 N ATOM 313 CA VAL A 25 -4.813 3.040 1.422 1.00 0.00 C ATOM 314 C VAL A 25 -5.340 1.611 1.504 1.00 0.00 C ATOM 315 O VAL A 25 -5.132 0.919 2.500 1.00 0.00 O ATOM 316 CB VAL A 25 -3.328 3.052 1.833 1.00 0.00 C ATOM 317 CG1 VAL A 25 -2.526 2.094 0.966 1.00 0.00 C ATOM 318 CG2 VAL A 25 -2.764 4.462 1.746 1.00 0.00 C ATOM 0 H VAL A 25 -5.069 4.418 2.981 1.00 0.00 H new ATOM 0 HA VAL A 25 -4.901 3.399 0.397 1.00 0.00 H new ATOM 0 HB VAL A 25 -3.252 2.717 2.868 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -1.480 2.116 1.271 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -2.917 1.083 1.083 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -2.606 2.395 -0.079 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -1.714 4.453 2.040 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -2.851 4.826 0.722 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -3.322 5.119 2.414 1.00 0.00 H new ATOM 328 N GLN A 26 -6.022 1.177 0.449 1.00 0.00 N ATOM 329 CA GLN A 26 -6.579 -0.170 0.402 1.00 0.00 C ATOM 330 C GLN A 26 -5.870 -1.015 -0.651 1.00 0.00 C ATOM 331 O GLN A 26 -5.248 -0.485 -1.571 1.00 0.00 O ATOM 332 CB GLN A 26 -8.078 -0.114 0.104 1.00 0.00 C ATOM 333 CG GLN A 26 -8.730 -1.484 0.008 1.00 0.00 C ATOM 334 CD GLN A 26 -10.227 -1.403 -0.222 1.00 0.00 C ATOM 335 OE1 GLN A 26 -10.789 -0.315 -0.349 1.00 0.00 O ATOM 336 NE2 GLN A 26 -10.881 -2.557 -0.276 1.00 0.00 N ATOM 0 H GLN A 26 -6.202 1.738 -0.384 1.00 0.00 H new ATOM 0 HA GLN A 26 -6.427 -0.634 1.377 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -8.574 0.462 0.885 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -8.234 0.420 -0.833 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -8.271 -2.044 -0.806 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -8.537 -2.039 0.926 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -10.375 -3.436 -0.166 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -11.890 -2.565 -0.428 1.00 0.00 H new ATOM 345 N ALA A 27 -5.968 -2.333 -0.509 1.00 0.00 N ATOM 346 CA ALA A 27 -5.338 -3.252 -1.449 1.00 0.00 C ATOM 347 C ALA A 27 -6.335 -4.289 -1.955 1.00 0.00 C ATOM 348 O ALA A 27 -6.620 -5.274 -1.274 1.00 0.00 O ATOM 349 CB ALA A 27 -4.145 -3.937 -0.798 1.00 0.00 C ATOM 0 H ALA A 27 -6.478 -2.788 0.248 1.00 0.00 H new ATOM 0 HA ALA A 27 -4.989 -2.675 -2.305 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -3.684 -4.620 -1.511 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -3.417 -3.186 -0.492 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -4.479 -4.496 0.076 1.00 0.00 H new ATOM 355 N VAL A 28 -6.863 -4.060 -3.153 1.00 0.00 N ATOM 356 CA VAL A 28 -7.828 -4.975 -3.750 1.00 0.00 C ATOM 357 C VAL A 28 -7.127 -6.079 -4.533 1.00 0.00 C ATOM 358 O VAL A 28 -6.204 -5.818 -5.304 1.00 0.00 O ATOM 359 CB VAL A 28 -8.798 -4.233 -4.688 1.00 0.00 C ATOM 360 CG1 VAL A 28 -9.971 -5.128 -5.060 1.00 0.00 C ATOM 361 CG2 VAL A 28 -9.284 -2.945 -4.041 1.00 0.00 C ATOM 0 H VAL A 28 -6.639 -3.249 -3.729 1.00 0.00 H new ATOM 0 HA VAL A 28 -8.394 -5.418 -2.930 1.00 0.00 H new ATOM 0 HB VAL A 28 -8.265 -3.974 -5.603 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -10.646 -4.587 -5.723 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -9.602 -6.020 -5.567 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -10.507 -5.420 -4.157 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -9.968 -2.434 -4.718 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -9.801 -3.178 -3.110 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -8.431 -2.299 -3.831 1.00 0.00 H new ATOM 371 N ALA A 29 -7.572 -7.315 -4.330 1.00 0.00 N ATOM 372 CA ALA A 29 -6.989 -8.460 -5.019 1.00 0.00 C ATOM 373 C ALA A 29 -7.822 -8.853 -6.234 1.00 0.00 C ATOM 374 O ALA A 29 -8.951 -9.326 -6.098 1.00 0.00 O ATOM 375 CB ALA A 29 -6.855 -9.638 -4.065 1.00 0.00 C ATOM 0 H ALA A 29 -8.334 -7.549 -3.694 1.00 0.00 H new ATOM 0 HA ALA A 29 -5.997 -8.175 -5.369 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -6.418 -10.486 -4.593 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -6.211 -9.359 -3.231 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -7.839 -9.914 -3.687 1.00 0.00 H new ATOM 381 N LEU A 30 -7.260 -8.653 -7.420 1.00 0.00 N ATOM 382 CA LEU A 30 -7.952 -8.986 -8.661 1.00 0.00 C ATOM 383 C LEU A 30 -7.803 -10.469 -8.986 1.00 0.00 C ATOM 384 O LEU A 30 -8.793 -11.183 -9.148 1.00 0.00 O ATOM 385 CB LEU A 30 -7.407 -8.142 -9.814 1.00 0.00 C ATOM 386 CG LEU A 30 -7.266 -6.644 -9.542 1.00 0.00 C ATOM 387 CD1 LEU A 30 -6.340 -6.000 -10.562 1.00 0.00 C ATOM 388 CD2 LEU A 30 -8.630 -5.969 -9.556 1.00 0.00 C ATOM 0 H LEU A 30 -6.327 -8.262 -7.550 1.00 0.00 H new ATOM 0 HA LEU A 30 -9.011 -8.767 -8.528 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -6.429 -8.534 -10.094 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -8.062 -8.274 -10.676 1.00 0.00 H new ATOM 0 HG LEU A 30 -6.828 -6.514 -8.552 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -6.252 -4.934 -10.352 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -5.355 -6.464 -10.503 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -6.748 -6.140 -11.563 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -8.511 -4.903 -9.361 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -9.095 -6.109 -10.532 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -9.262 -6.410 -8.786 1.00 0.00 H new ATOM 400 N THR A 31 -6.559 -10.927 -9.079 1.00 0.00 N ATOM 401 CA THR A 31 -6.280 -12.325 -9.384 1.00 0.00 C ATOM 402 C THR A 31 -4.984 -12.783 -8.726 1.00 0.00 C ATOM 403 O THR A 31 -4.284 -11.992 -8.092 1.00 0.00 O ATOM 404 CB THR A 31 -6.181 -12.560 -10.903 1.00 0.00 C ATOM 405 OG1 THR A 31 -6.578 -13.899 -11.219 1.00 0.00 O ATOM 406 CG2 THR A 31 -4.764 -12.316 -11.398 1.00 0.00 C ATOM 0 H THR A 31 -5.728 -10.350 -8.947 1.00 0.00 H new ATOM 0 HA THR A 31 -7.112 -12.907 -8.987 1.00 0.00 H new ATOM 0 HB THR A 31 -6.849 -11.857 -11.401 1.00 0.00 H new ATOM 0 HG1 THR A 31 -5.785 -14.472 -11.270 1.00 0.00 H new ATOM 0 HG21 THR A 31 -4.720 -12.488 -12.473 1.00 0.00 H new ATOM 0 HG22 THR A 31 -4.476 -11.287 -11.183 1.00 0.00 H new ATOM 0 HG23 THR A 31 -4.080 -12.998 -10.893 1.00 0.00 H new ATOM 414 N HIS A 32 -4.668 -14.065 -8.879 1.00 0.00 N ATOM 415 CA HIS A 32 -3.454 -14.629 -8.300 1.00 0.00 C ATOM 416 C HIS A 32 -2.272 -13.684 -8.491 1.00 0.00 C ATOM 417 O HIS A 32 -1.593 -13.321 -7.530 1.00 0.00 O ATOM 418 CB HIS A 32 -3.144 -15.986 -8.932 1.00 0.00 C ATOM 419 CG HIS A 32 -3.066 -15.946 -10.427 1.00 0.00 C ATOM 420 ND1 HIS A 32 -4.162 -15.722 -11.233 1.00 0.00 N ATOM 421 CD2 HIS A 32 -2.012 -16.102 -11.263 1.00 0.00 C ATOM 422 CE1 HIS A 32 -3.787 -15.744 -12.499 1.00 0.00 C ATOM 423 NE2 HIS A 32 -2.487 -15.971 -12.545 1.00 0.00 N ATOM 0 H HIS A 32 -5.236 -14.733 -9.399 1.00 0.00 H new ATOM 0 HA HIS A 32 -3.620 -14.764 -7.231 1.00 0.00 H new ATOM 0 HB2 HIS A 32 -2.197 -16.354 -8.537 1.00 0.00 H new ATOM 0 HB3 HIS A 32 -3.912 -16.700 -8.635 1.00 0.00 H new ATOM 0 HD2 HIS A 32 -0.989 -16.294 -10.975 1.00 0.00 H new ATOM 0 HE1 HIS A 32 -4.434 -15.601 -13.352 1.00 0.00 H new ATOM 0 HE2 HIS A 32 -1.927 -16.038 -13.395 1.00 0.00 H new ATOM 432 N ASP A 33 -2.031 -13.289 -9.736 1.00 0.00 N ATOM 433 CA ASP A 33 -0.931 -12.386 -10.053 1.00 0.00 C ATOM 434 C ASP A 33 -1.454 -11.001 -10.423 1.00 0.00 C ATOM 435 O ASP A 33 -0.993 -10.390 -11.386 1.00 0.00 O ATOM 436 CB ASP A 33 -0.093 -12.951 -11.201 1.00 0.00 C ATOM 437 CG ASP A 33 0.522 -14.294 -10.861 1.00 0.00 C ATOM 438 OD1 ASP A 33 0.538 -14.654 -9.665 1.00 0.00 O ATOM 439 OD2 ASP A 33 0.989 -14.986 -11.791 1.00 0.00 O ATOM 0 H ASP A 33 -2.583 -13.580 -10.543 1.00 0.00 H new ATOM 0 HA ASP A 33 -0.303 -12.293 -9.167 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -0.719 -13.055 -12.087 1.00 0.00 H new ATOM 0 HB3 ASP A 33 0.699 -12.245 -11.451 1.00 0.00 H new ATOM 444 N ALA A 34 -2.420 -10.514 -9.651 1.00 0.00 N ATOM 445 CA ALA A 34 -3.005 -9.201 -9.897 1.00 0.00 C ATOM 446 C ALA A 34 -3.612 -8.623 -8.623 1.00 0.00 C ATOM 447 O ALA A 34 -4.336 -9.309 -7.901 1.00 0.00 O ATOM 448 CB ALA A 34 -4.058 -9.290 -10.992 1.00 0.00 C ATOM 0 H ALA A 34 -2.814 -11.008 -8.850 1.00 0.00 H new ATOM 0 HA ALA A 34 -2.210 -8.532 -10.225 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -4.487 -8.303 -11.166 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -3.597 -9.652 -11.911 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -4.845 -9.978 -10.685 1.00 0.00 H new ATOM 454 N VAL A 35 -3.310 -7.357 -8.352 1.00 0.00 N ATOM 455 CA VAL A 35 -3.826 -6.686 -7.164 1.00 0.00 C ATOM 456 C VAL A 35 -4.069 -5.205 -7.432 1.00 0.00 C ATOM 457 O VAL A 35 -3.136 -4.454 -7.716 1.00 0.00 O ATOM 458 CB VAL A 35 -2.859 -6.830 -5.974 1.00 0.00 C ATOM 459 CG1 VAL A 35 -3.057 -5.692 -4.984 1.00 0.00 C ATOM 460 CG2 VAL A 35 -3.048 -8.178 -5.294 1.00 0.00 C ATOM 0 H VAL A 35 -2.711 -6.776 -8.938 1.00 0.00 H new ATOM 0 HA VAL A 35 -4.772 -7.167 -6.914 1.00 0.00 H new ATOM 0 HB VAL A 35 -1.837 -6.779 -6.350 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -2.365 -5.811 -4.150 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -2.867 -4.741 -5.481 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -4.081 -5.708 -4.611 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -2.357 -8.263 -4.455 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -4.072 -8.261 -4.930 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -2.851 -8.977 -6.009 1.00 0.00 H new ATOM 470 N ARG A 36 -5.329 -4.792 -7.338 1.00 0.00 N ATOM 471 CA ARG A 36 -5.695 -3.400 -7.571 1.00 0.00 C ATOM 472 C ARG A 36 -5.615 -2.593 -6.278 1.00 0.00 C ATOM 473 O ARG A 36 -6.453 -2.742 -5.388 1.00 0.00 O ATOM 474 CB ARG A 36 -7.107 -3.313 -8.153 1.00 0.00 C ATOM 475 CG ARG A 36 -7.709 -1.918 -8.085 1.00 0.00 C ATOM 476 CD ARG A 36 -7.098 -0.997 -9.128 1.00 0.00 C ATOM 477 NE ARG A 36 -7.675 -1.210 -10.453 1.00 0.00 N ATOM 478 CZ ARG A 36 -7.564 -0.341 -11.452 1.00 0.00 C ATOM 479 NH1 ARG A 36 -6.900 0.793 -11.278 1.00 0.00 N ATOM 480 NH2 ARG A 36 -8.117 -0.607 -12.628 1.00 0.00 N ATOM 0 H ARG A 36 -6.113 -5.401 -7.102 1.00 0.00 H new ATOM 0 HA ARG A 36 -4.988 -2.979 -8.286 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -7.083 -3.639 -9.193 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -7.755 -4.006 -7.617 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -8.787 -1.978 -8.237 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -7.550 -1.500 -7.091 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -7.250 0.040 -8.829 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -6.021 -1.162 -9.171 1.00 0.00 H new ATOM 0 HE ARG A 36 -8.192 -2.073 -10.621 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -6.473 1.000 -10.375 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -6.816 1.458 -12.047 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -8.628 -1.479 -12.766 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -8.031 0.061 -13.394 1.00 0.00 H new ATOM 494 N VAL A 37 -4.602 -1.739 -6.181 1.00 0.00 N ATOM 495 CA VAL A 37 -4.412 -0.908 -4.998 1.00 0.00 C ATOM 496 C VAL A 37 -5.060 0.460 -5.178 1.00 0.00 C ATOM 497 O VAL A 37 -4.612 1.268 -5.992 1.00 0.00 O ATOM 498 CB VAL A 37 -2.918 -0.719 -4.679 1.00 0.00 C ATOM 499 CG1 VAL A 37 -2.743 0.090 -3.402 1.00 0.00 C ATOM 500 CG2 VAL A 37 -2.223 -2.067 -4.564 1.00 0.00 C ATOM 0 H VAL A 37 -3.899 -1.604 -6.908 1.00 0.00 H new ATOM 0 HA VAL A 37 -4.890 -1.426 -4.167 1.00 0.00 H new ATOM 0 HB VAL A 37 -2.457 -0.167 -5.498 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -1.681 0.214 -3.192 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -3.205 1.070 -3.526 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -3.218 -0.433 -2.572 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -1.168 -1.914 -4.338 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -2.685 -2.647 -3.765 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -2.318 -2.607 -5.506 1.00 0.00 H new ATOM 510 N SER A 38 -6.116 0.714 -4.412 1.00 0.00 N ATOM 511 CA SER A 38 -6.829 1.984 -4.489 1.00 0.00 C ATOM 512 C SER A 38 -6.847 2.679 -3.131 1.00 0.00 C ATOM 513 O SER A 38 -7.111 2.053 -2.105 1.00 0.00 O ATOM 514 CB SER A 38 -8.260 1.761 -4.981 1.00 0.00 C ATOM 515 OG SER A 38 -9.032 1.075 -4.011 1.00 0.00 O ATOM 0 H SER A 38 -6.497 0.057 -3.731 1.00 0.00 H new ATOM 0 HA SER A 38 -6.305 2.625 -5.199 1.00 0.00 H new ATOM 0 HB2 SER A 38 -8.724 2.721 -5.207 1.00 0.00 H new ATOM 0 HB3 SER A 38 -8.244 1.189 -5.909 1.00 0.00 H new ATOM 0 HG SER A 38 -9.943 0.946 -4.349 1.00 0.00 H new ATOM 521 N TRP A 39 -6.567 3.977 -3.135 1.00 0.00 N ATOM 522 CA TRP A 39 -6.551 4.759 -1.903 1.00 0.00 C ATOM 523 C TRP A 39 -7.437 5.993 -2.031 1.00 0.00 C ATOM 524 O TRP A 39 -8.040 6.230 -3.077 1.00 0.00 O ATOM 525 CB TRP A 39 -5.120 5.177 -1.558 1.00 0.00 C ATOM 526 CG TRP A 39 -4.437 5.924 -2.663 1.00 0.00 C ATOM 527 CD1 TRP A 39 -4.255 7.275 -2.748 1.00 0.00 C ATOM 528 CD2 TRP A 39 -3.848 5.363 -3.841 1.00 0.00 C ATOM 529 NE1 TRP A 39 -3.587 7.587 -3.908 1.00 0.00 N ATOM 530 CE2 TRP A 39 -3.325 6.432 -4.595 1.00 0.00 C ATOM 531 CE3 TRP A 39 -3.708 4.062 -4.331 1.00 0.00 C ATOM 532 CZ2 TRP A 39 -2.676 6.237 -5.812 1.00 0.00 C ATOM 533 CZ3 TRP A 39 -3.064 3.870 -5.538 1.00 0.00 C ATOM 534 CH2 TRP A 39 -2.554 4.953 -6.267 1.00 0.00 C ATOM 0 H TRP A 39 -6.348 4.510 -3.976 1.00 0.00 H new ATOM 0 HA TRP A 39 -6.943 4.134 -1.100 1.00 0.00 H new ATOM 0 HB2 TRP A 39 -5.137 5.800 -0.664 1.00 0.00 H new ATOM 0 HB3 TRP A 39 -4.538 4.288 -1.316 1.00 0.00 H new ATOM 0 HD1 TRP A 39 -4.587 7.992 -2.012 1.00 0.00 H new ATOM 0 HE1 TRP A 39 -3.328 8.527 -4.208 1.00 0.00 H new ATOM 0 HE3 TRP A 39 -4.097 3.221 -3.776 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 -2.283 7.070 -6.376 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 -2.952 2.869 -5.926 1.00 0.00 H new ATOM 0 HH2 TRP A 39 -2.055 4.770 -7.207 1.00 0.00 H new ATOM 545 N ALA A 40 -7.512 6.776 -0.959 1.00 0.00 N ATOM 546 CA ALA A 40 -8.323 7.987 -0.953 1.00 0.00 C ATOM 547 C ALA A 40 -7.471 9.217 -0.658 1.00 0.00 C ATOM 548 O ALA A 40 -6.358 9.104 -0.143 1.00 0.00 O ATOM 549 CB ALA A 40 -9.447 7.864 0.065 1.00 0.00 C ATOM 0 H ALA A 40 -7.021 6.593 -0.084 1.00 0.00 H new ATOM 0 HA ALA A 40 -8.758 8.109 -1.945 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -10.045 8.775 0.059 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -10.079 7.014 -0.192 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -9.024 7.714 1.058 1.00 0.00 H new ATOM 555 N ASP A 41 -8.001 10.390 -0.986 1.00 0.00 N ATOM 556 CA ASP A 41 -7.289 11.642 -0.756 1.00 0.00 C ATOM 557 C ASP A 41 -8.063 12.538 0.205 1.00 0.00 C ATOM 558 O ASP A 41 -9.074 13.134 -0.164 1.00 0.00 O ATOM 559 CB ASP A 41 -7.056 12.372 -2.079 1.00 0.00 C ATOM 560 CG ASP A 41 -8.345 12.617 -2.839 1.00 0.00 C ATOM 561 OD1 ASP A 41 -9.007 11.628 -3.217 1.00 0.00 O ATOM 562 OD2 ASP A 41 -8.691 13.797 -3.057 1.00 0.00 O ATOM 0 H ASP A 41 -8.921 10.500 -1.412 1.00 0.00 H new ATOM 0 HA ASP A 41 -6.324 11.406 -0.307 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -6.566 13.326 -1.883 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -6.377 11.786 -2.699 1.00 0.00 H new ATOM 753 N ARG A 54 0.749 16.886 -9.031 1.00 0.00 N ATOM 754 CA ARG A 54 1.554 15.996 -8.203 1.00 0.00 C ATOM 755 C ARG A 54 1.461 14.558 -8.703 1.00 0.00 C ATOM 756 O ARG A 54 0.426 14.133 -9.217 1.00 0.00 O ATOM 757 CB ARG A 54 1.099 16.072 -6.745 1.00 0.00 C ATOM 758 CG ARG A 54 -0.385 15.803 -6.555 1.00 0.00 C ATOM 759 CD ARG A 54 -1.199 17.085 -6.641 1.00 0.00 C ATOM 760 NE ARG A 54 -1.343 17.730 -5.339 1.00 0.00 N ATOM 761 CZ ARG A 54 -2.243 17.364 -4.433 1.00 0.00 C ATOM 762 NH1 ARG A 54 -3.074 16.363 -4.687 1.00 0.00 N ATOM 763 NH2 ARG A 54 -2.313 18.000 -3.271 1.00 0.00 N ATOM 0 HA ARG A 54 2.593 16.319 -8.269 1.00 0.00 H new ATOM 0 HB2 ARG A 54 1.668 15.352 -6.158 1.00 0.00 H new ATOM 0 HB3 ARG A 54 1.334 17.061 -6.351 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -0.729 15.101 -7.314 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -0.549 15.331 -5.586 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -0.718 17.774 -7.336 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -2.186 16.861 -7.046 1.00 0.00 H new ATOM 0 HE ARG A 54 -0.718 18.504 -5.113 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -3.023 15.872 -5.580 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -3.764 16.084 -3.990 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -1.675 18.771 -3.072 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -3.004 17.718 -2.576 1.00 0.00 H new ATOM 777 N LEU A 55 2.550 13.812 -8.549 1.00 0.00 N ATOM 778 CA LEU A 55 2.593 12.421 -8.984 1.00 0.00 C ATOM 779 C LEU A 55 2.432 11.474 -7.799 1.00 0.00 C ATOM 780 O LEU A 55 2.841 11.788 -6.681 1.00 0.00 O ATOM 781 CB LEU A 55 3.910 12.132 -9.707 1.00 0.00 C ATOM 782 CG LEU A 55 4.250 10.656 -9.919 1.00 0.00 C ATOM 783 CD1 LEU A 55 3.716 10.173 -11.259 1.00 0.00 C ATOM 784 CD2 LEU A 55 5.753 10.437 -9.831 1.00 0.00 C ATOM 0 H LEU A 55 3.415 14.148 -8.126 1.00 0.00 H new ATOM 0 HA LEU A 55 1.764 12.256 -9.672 1.00 0.00 H new ATOM 0 HB2 LEU A 55 3.882 12.621 -10.681 1.00 0.00 H new ATOM 0 HB3 LEU A 55 4.720 12.593 -9.142 1.00 0.00 H new ATOM 0 HG LEU A 55 3.772 10.075 -9.130 1.00 0.00 H new ATOM 0 HD11 LEU A 55 3.967 9.121 -11.393 1.00 0.00 H new ATOM 0 HD12 LEU A 55 2.633 10.294 -11.284 1.00 0.00 H new ATOM 0 HD13 LEU A 55 4.165 10.758 -12.062 1.00 0.00 H new ATOM 0 HD21 LEU A 55 5.976 9.381 -9.984 1.00 0.00 H new ATOM 0 HD22 LEU A 55 6.252 11.029 -10.598 1.00 0.00 H new ATOM 0 HD23 LEU A 55 6.108 10.744 -8.847 1.00 0.00 H new ATOM 796 N TYR A 56 1.836 10.314 -8.052 1.00 0.00 N ATOM 797 CA TYR A 56 1.620 9.321 -7.006 1.00 0.00 C ATOM 798 C TYR A 56 2.429 8.057 -7.281 1.00 0.00 C ATOM 799 O TYR A 56 2.494 7.580 -8.414 1.00 0.00 O ATOM 800 CB TYR A 56 0.134 8.977 -6.900 1.00 0.00 C ATOM 801 CG TYR A 56 -0.681 10.026 -6.178 1.00 0.00 C ATOM 802 CD1 TYR A 56 -0.629 11.360 -6.563 1.00 0.00 C ATOM 803 CD2 TYR A 56 -1.502 9.684 -5.111 1.00 0.00 C ATOM 804 CE1 TYR A 56 -1.371 12.323 -5.906 1.00 0.00 C ATOM 805 CE2 TYR A 56 -2.249 10.639 -4.449 1.00 0.00 C ATOM 806 CZ TYR A 56 -2.180 11.957 -4.850 1.00 0.00 C ATOM 807 OH TYR A 56 -2.921 12.912 -4.192 1.00 0.00 O ATOM 0 H TYR A 56 1.494 10.038 -8.972 1.00 0.00 H new ATOM 0 HA TYR A 56 1.955 9.747 -6.060 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -0.271 8.841 -7.903 1.00 0.00 H new ATOM 0 HB3 TYR A 56 0.026 8.025 -6.381 1.00 0.00 H new ATOM 0 HD1 TYR A 56 0.002 11.649 -7.390 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -1.557 8.653 -4.793 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -1.318 13.356 -6.217 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -2.883 10.355 -3.622 1.00 0.00 H new ATOM 0 HH TYR A 56 -3.437 12.489 -3.475 1.00 0.00 H new ATOM 817 N THR A 57 3.044 7.517 -6.233 1.00 0.00 N ATOM 818 CA THR A 57 3.849 6.309 -6.359 1.00 0.00 C ATOM 819 C THR A 57 3.253 5.164 -5.547 1.00 0.00 C ATOM 820 O THR A 57 2.590 5.388 -4.534 1.00 0.00 O ATOM 821 CB THR A 57 5.299 6.549 -5.899 1.00 0.00 C ATOM 822 OG1 THR A 57 5.771 7.804 -6.403 1.00 0.00 O ATOM 823 CG2 THR A 57 6.211 5.430 -6.377 1.00 0.00 C ATOM 0 H THR A 57 3.000 7.898 -5.288 1.00 0.00 H new ATOM 0 HA THR A 57 3.851 6.040 -7.415 1.00 0.00 H new ATOM 0 HB THR A 57 5.313 6.567 -4.809 1.00 0.00 H new ATOM 0 HG1 THR A 57 6.693 7.950 -6.105 1.00 0.00 H new ATOM 0 HG21 THR A 57 7.230 5.622 -6.040 1.00 0.00 H new ATOM 0 HG22 THR A 57 5.866 4.480 -5.968 1.00 0.00 H new ATOM 0 HG23 THR A 57 6.192 5.385 -7.466 1.00 0.00 H new ATOM 831 N VAL A 58 3.496 3.937 -5.996 1.00 0.00 N ATOM 832 CA VAL A 58 2.984 2.757 -5.310 1.00 0.00 C ATOM 833 C VAL A 58 4.060 1.684 -5.187 1.00 0.00 C ATOM 834 O VAL A 58 4.555 1.168 -6.189 1.00 0.00 O ATOM 835 CB VAL A 58 1.766 2.165 -6.043 1.00 0.00 C ATOM 836 CG1 VAL A 58 1.164 1.021 -5.241 1.00 0.00 C ATOM 837 CG2 VAL A 58 0.728 3.245 -6.309 1.00 0.00 C ATOM 0 H VAL A 58 4.044 3.734 -6.832 1.00 0.00 H new ATOM 0 HA VAL A 58 2.678 3.078 -4.314 1.00 0.00 H new ATOM 0 HB VAL A 58 2.098 1.769 -7.002 1.00 0.00 H new ATOM 0 HG11 VAL A 58 0.305 0.615 -5.775 1.00 0.00 H new ATOM 0 HG12 VAL A 58 1.911 0.238 -5.107 1.00 0.00 H new ATOM 0 HG13 VAL A 58 0.845 1.389 -4.266 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -0.126 2.809 -6.828 1.00 0.00 H new ATOM 0 HG22 VAL A 58 0.398 3.673 -5.363 1.00 0.00 H new ATOM 0 HG23 VAL A 58 1.167 4.027 -6.928 1.00 0.00 H new ATOM 847 N ARG A 59 4.418 1.352 -3.950 1.00 0.00 N ATOM 848 CA ARG A 59 5.436 0.340 -3.695 1.00 0.00 C ATOM 849 C ARG A 59 4.821 -0.902 -3.057 1.00 0.00 C ATOM 850 O ARG A 59 3.840 -0.811 -2.320 1.00 0.00 O ATOM 851 CB ARG A 59 6.530 0.904 -2.787 1.00 0.00 C ATOM 852 CG ARG A 59 6.148 0.927 -1.316 1.00 0.00 C ATOM 853 CD ARG A 59 6.973 1.944 -0.542 1.00 0.00 C ATOM 854 NE ARG A 59 8.285 1.417 -0.173 1.00 0.00 N ATOM 855 CZ ARG A 59 8.473 0.524 0.793 1.00 0.00 C ATOM 856 NH1 ARG A 59 7.440 0.061 1.482 1.00 0.00 N ATOM 857 NH2 ARG A 59 9.697 0.093 1.070 1.00 0.00 N ATOM 0 H ARG A 59 4.018 1.769 -3.110 1.00 0.00 H new ATOM 0 HA ARG A 59 5.877 0.056 -4.651 1.00 0.00 H new ATOM 0 HB2 ARG A 59 7.435 0.309 -2.910 1.00 0.00 H new ATOM 0 HB3 ARG A 59 6.770 1.918 -3.107 1.00 0.00 H new ATOM 0 HG2 ARG A 59 5.089 1.165 -1.218 1.00 0.00 H new ATOM 0 HG3 ARG A 59 6.293 -0.064 -0.886 1.00 0.00 H new ATOM 0 HD2 ARG A 59 7.100 2.843 -1.146 1.00 0.00 H new ATOM 0 HD3 ARG A 59 6.434 2.238 0.359 1.00 0.00 H new ATOM 0 HE ARG A 59 9.101 1.753 -0.685 1.00 0.00 H new ATOM 0 HH11 ARG A 59 6.498 0.390 1.271 1.00 0.00 H new ATOM 0 HH12 ARG A 59 7.587 -0.624 2.223 1.00 0.00 H new ATOM 0 HH21 ARG A 59 10.494 0.447 0.541 1.00 0.00 H new ATOM 0 HH22 ARG A 59 9.841 -0.592 1.812 1.00 0.00 H new ATOM 871 N TRP A 60 5.404 -2.060 -3.347 1.00 0.00 N ATOM 872 CA TRP A 60 4.913 -3.320 -2.802 1.00 0.00 C ATOM 873 C TRP A 60 6.031 -4.353 -2.725 1.00 0.00 C ATOM 874 O TRP A 60 6.710 -4.621 -3.716 1.00 0.00 O ATOM 875 CB TRP A 60 3.764 -3.856 -3.658 1.00 0.00 C ATOM 876 CG TRP A 60 4.168 -4.163 -5.069 1.00 0.00 C ATOM 877 CD1 TRP A 60 4.598 -5.365 -5.556 1.00 0.00 C ATOM 878 CD2 TRP A 60 4.183 -3.252 -6.173 1.00 0.00 C ATOM 879 NE1 TRP A 60 4.878 -5.255 -6.896 1.00 0.00 N ATOM 880 CE2 TRP A 60 4.631 -3.970 -7.299 1.00 0.00 C ATOM 881 CE3 TRP A 60 3.858 -1.901 -6.321 1.00 0.00 C ATOM 882 CZ2 TRP A 60 4.763 -3.380 -8.554 1.00 0.00 C ATOM 883 CZ3 TRP A 60 3.991 -1.317 -7.566 1.00 0.00 C ATOM 884 CH2 TRP A 60 4.439 -2.055 -8.669 1.00 0.00 C ATOM 0 H TRP A 60 6.217 -2.152 -3.956 1.00 0.00 H new ATOM 0 HA TRP A 60 4.548 -3.132 -1.792 1.00 0.00 H new ATOM 0 HB2 TRP A 60 3.367 -4.760 -3.196 1.00 0.00 H new ATOM 0 HB3 TRP A 60 2.957 -3.124 -3.670 1.00 0.00 H new ATOM 0 HD1 TRP A 60 4.702 -6.268 -4.973 1.00 0.00 H new ATOM 0 HE1 TRP A 60 5.215 -6.009 -7.494 1.00 0.00 H new ATOM 0 HE3 TRP A 60 3.509 -1.324 -5.477 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 5.108 -3.947 -9.405 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 3.745 -0.273 -7.691 1.00 0.00 H new ATOM 0 HH2 TRP A 60 4.531 -1.569 -9.629 1.00 0.00 H new ATOM 895 N ARG A 61 6.218 -4.930 -1.542 1.00 0.00 N ATOM 896 CA ARG A 61 7.256 -5.933 -1.337 1.00 0.00 C ATOM 897 C ARG A 61 6.708 -7.133 -0.570 1.00 0.00 C ATOM 898 O ARG A 61 5.930 -6.979 0.372 1.00 0.00 O ATOM 899 CB ARG A 61 8.438 -5.326 -0.579 1.00 0.00 C ATOM 900 CG ARG A 61 9.742 -6.081 -0.780 1.00 0.00 C ATOM 901 CD ARG A 61 9.895 -7.207 0.231 1.00 0.00 C ATOM 902 NE ARG A 61 9.790 -6.726 1.606 1.00 0.00 N ATOM 903 CZ ARG A 61 10.808 -6.206 2.283 1.00 0.00 C ATOM 904 NH1 ARG A 61 12.001 -6.100 1.715 1.00 0.00 N ATOM 905 NH2 ARG A 61 10.633 -5.790 3.531 1.00 0.00 N ATOM 0 H ARG A 61 5.664 -4.720 -0.711 1.00 0.00 H new ATOM 0 HA ARG A 61 7.596 -6.273 -2.315 1.00 0.00 H new ATOM 0 HB2 ARG A 61 8.573 -4.293 -0.900 1.00 0.00 H new ATOM 0 HB3 ARG A 61 8.202 -5.301 0.485 1.00 0.00 H new ATOM 0 HG2 ARG A 61 9.775 -6.490 -1.790 1.00 0.00 H new ATOM 0 HG3 ARG A 61 10.581 -5.391 -0.688 1.00 0.00 H new ATOM 0 HD2 ARG A 61 9.129 -7.962 0.052 1.00 0.00 H new ATOM 0 HD3 ARG A 61 10.861 -7.692 0.090 1.00 0.00 H new ATOM 0 HE ARG A 61 8.885 -6.793 2.072 1.00 0.00 H new ATOM 0 HH11 ARG A 61 12.139 -6.418 0.756 1.00 0.00 H new ATOM 0 HH12 ARG A 61 12.781 -5.700 2.237 1.00 0.00 H new ATOM 0 HH21 ARG A 61 9.716 -5.869 3.971 1.00 0.00 H new ATOM 0 HH22 ARG A 61 11.415 -5.391 4.050 1.00 0.00 H new ATOM 919 N THR A 62 7.119 -8.329 -0.980 1.00 0.00 N ATOM 920 CA THR A 62 6.668 -9.555 -0.333 1.00 0.00 C ATOM 921 C THR A 62 6.676 -9.411 1.184 1.00 0.00 C ATOM 922 O THR A 62 7.651 -8.938 1.768 1.00 0.00 O ATOM 923 CB THR A 62 7.550 -10.755 -0.728 1.00 0.00 C ATOM 924 OG1 THR A 62 8.925 -10.357 -0.778 1.00 0.00 O ATOM 925 CG2 THR A 62 7.129 -11.314 -2.079 1.00 0.00 C ATOM 0 H THR A 62 7.763 -8.475 -1.757 1.00 0.00 H new ATOM 0 HA THR A 62 5.648 -9.735 -0.673 1.00 0.00 H new ATOM 0 HB THR A 62 7.425 -11.533 0.025 1.00 0.00 H new ATOM 0 HG1 THR A 62 9.479 -11.126 -1.028 1.00 0.00 H new ATOM 0 HG21 THR A 62 7.766 -12.160 -2.337 1.00 0.00 H new ATOM 0 HG22 THR A 62 6.091 -11.643 -2.029 1.00 0.00 H new ATOM 0 HG23 THR A 62 7.228 -10.540 -2.840 1.00 0.00 H new ATOM 933 N SER A 63 5.583 -9.823 1.818 1.00 0.00 N ATOM 934 CA SER A 63 5.462 -9.737 3.269 1.00 0.00 C ATOM 935 C SER A 63 6.040 -10.981 3.937 1.00 0.00 C ATOM 936 O SER A 63 5.846 -12.101 3.464 1.00 0.00 O ATOM 937 CB SER A 63 3.997 -9.562 3.671 1.00 0.00 C ATOM 938 OG SER A 63 3.656 -8.191 3.773 1.00 0.00 O ATOM 0 H SER A 63 4.768 -10.220 1.350 1.00 0.00 H new ATOM 0 HA SER A 63 6.029 -8.869 3.605 1.00 0.00 H new ATOM 0 HB2 SER A 63 3.355 -10.046 2.935 1.00 0.00 H new ATOM 0 HB3 SER A 63 3.817 -10.057 4.626 1.00 0.00 H new ATOM 0 HG SER A 63 2.714 -8.106 4.030 1.00 0.00 H new ATOM 1028 N TYR A 70 12.203 -3.919 -2.847 1.00 0.00 N ATOM 1029 CA TYR A 70 10.954 -3.169 -2.921 1.00 0.00 C ATOM 1030 C TYR A 70 10.729 -2.624 -4.328 1.00 0.00 C ATOM 1031 O TYR A 70 11.672 -2.217 -5.007 1.00 0.00 O ATOM 1032 CB TYR A 70 10.964 -2.020 -1.912 1.00 0.00 C ATOM 1033 CG TYR A 70 10.379 -2.389 -0.567 1.00 0.00 C ATOM 1034 CD1 TYR A 70 11.151 -3.021 0.400 1.00 0.00 C ATOM 1035 CD2 TYR A 70 9.052 -2.106 -0.264 1.00 0.00 C ATOM 1036 CE1 TYR A 70 10.620 -3.361 1.628 1.00 0.00 C ATOM 1037 CE2 TYR A 70 8.513 -2.441 0.963 1.00 0.00 C ATOM 1038 CZ TYR A 70 9.300 -3.069 1.905 1.00 0.00 C ATOM 1039 OH TYR A 70 8.768 -3.404 3.129 1.00 0.00 O ATOM 0 HA TYR A 70 10.137 -3.848 -2.679 1.00 0.00 H new ATOM 0 HB2 TYR A 70 11.990 -1.680 -1.771 1.00 0.00 H new ATOM 0 HB3 TYR A 70 10.404 -1.181 -2.324 1.00 0.00 H new ATOM 0 HD1 TYR A 70 12.185 -3.250 0.187 1.00 0.00 H new ATOM 0 HD2 TYR A 70 8.432 -1.616 -1.000 1.00 0.00 H new ATOM 0 HE1 TYR A 70 11.234 -3.853 2.368 1.00 0.00 H new ATOM 0 HE2 TYR A 70 7.481 -2.212 1.183 1.00 0.00 H new ATOM 0 HH TYR A 70 7.975 -3.964 2.999 1.00 0.00 H new ATOM 1049 N LYS A 71 9.472 -2.617 -4.758 1.00 0.00 N ATOM 1050 CA LYS A 71 9.119 -2.120 -6.083 1.00 0.00 C ATOM 1051 C LYS A 71 8.407 -0.775 -5.987 1.00 0.00 C ATOM 1052 O LYS A 71 8.016 -0.345 -4.902 1.00 0.00 O ATOM 1053 CB LYS A 71 8.228 -3.131 -6.809 1.00 0.00 C ATOM 1054 CG LYS A 71 8.081 -2.855 -8.295 1.00 0.00 C ATOM 1055 CD LYS A 71 7.614 -4.090 -9.048 1.00 0.00 C ATOM 1056 CE LYS A 71 8.789 -4.927 -9.528 1.00 0.00 C ATOM 1057 NZ LYS A 71 8.460 -5.687 -10.766 1.00 0.00 N ATOM 0 H LYS A 71 8.680 -2.950 -4.208 1.00 0.00 H new ATOM 0 HA LYS A 71 10.040 -1.984 -6.650 1.00 0.00 H new ATOM 0 HB2 LYS A 71 8.641 -4.130 -6.673 1.00 0.00 H new ATOM 0 HB3 LYS A 71 7.240 -3.129 -6.348 1.00 0.00 H new ATOM 0 HG2 LYS A 71 7.369 -2.044 -8.447 1.00 0.00 H new ATOM 0 HG3 LYS A 71 9.036 -2.520 -8.700 1.00 0.00 H new ATOM 0 HD2 LYS A 71 6.977 -4.693 -8.401 1.00 0.00 H new ATOM 0 HD3 LYS A 71 7.007 -3.789 -9.902 1.00 0.00 H new ATOM 0 HE2 LYS A 71 9.644 -4.278 -9.717 1.00 0.00 H new ATOM 0 HE3 LYS A 71 9.084 -5.623 -8.743 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 9.287 -6.245 -11.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 7.660 -6.325 -10.579 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 8.203 -5.022 -11.523 1.00 0.00 H new ATOM 1071 N SER A 72 8.241 -0.116 -7.130 1.00 0.00 N ATOM 1072 CA SER A 72 7.578 1.182 -7.174 1.00 0.00 C ATOM 1073 C SER A 72 7.099 1.499 -8.587 1.00 0.00 C ATOM 1074 O SER A 72 7.671 1.026 -9.568 1.00 0.00 O ATOM 1075 CB SER A 72 8.525 2.280 -6.686 1.00 0.00 C ATOM 1076 OG SER A 72 8.214 3.525 -7.286 1.00 0.00 O ATOM 0 H SER A 72 8.556 -0.460 -8.037 1.00 0.00 H new ATOM 0 HA SER A 72 6.711 1.142 -6.515 1.00 0.00 H new ATOM 0 HB2 SER A 72 8.457 2.368 -5.602 1.00 0.00 H new ATOM 0 HB3 SER A 72 9.554 2.007 -6.919 1.00 0.00 H new ATOM 0 HG SER A 72 8.832 4.210 -6.957 1.00 0.00 H new ATOM 1082 N GLU A 73 6.044 2.303 -8.682 1.00 0.00 N ATOM 1083 CA GLU A 73 5.487 2.683 -9.974 1.00 0.00 C ATOM 1084 C GLU A 73 4.822 4.054 -9.898 1.00 0.00 C ATOM 1085 O GLU A 73 4.265 4.429 -8.866 1.00 0.00 O ATOM 1086 CB GLU A 73 4.474 1.638 -10.446 1.00 0.00 C ATOM 1087 CG GLU A 73 5.088 0.532 -11.288 1.00 0.00 C ATOM 1088 CD GLU A 73 6.084 1.057 -12.303 1.00 0.00 C ATOM 1089 OE1 GLU A 73 5.796 2.096 -12.934 1.00 0.00 O ATOM 1090 OE2 GLU A 73 7.151 0.429 -12.469 1.00 0.00 O ATOM 0 H GLU A 73 5.559 2.703 -7.879 1.00 0.00 H new ATOM 0 HA GLU A 73 6.306 2.735 -10.692 1.00 0.00 H new ATOM 0 HB2 GLU A 73 3.990 1.195 -9.576 1.00 0.00 H new ATOM 0 HB3 GLU A 73 3.696 2.135 -11.025 1.00 0.00 H new ATOM 0 HG2 GLU A 73 5.585 -0.184 -10.634 1.00 0.00 H new ATOM 0 HG3 GLU A 73 4.295 -0.007 -11.807 1.00 0.00 H new ATOM 1097 N ASP A 74 4.884 4.797 -10.998 1.00 0.00 N ATOM 1098 CA ASP A 74 4.287 6.127 -11.057 1.00 0.00 C ATOM 1099 C ASP A 74 2.951 6.090 -11.792 1.00 0.00 C ATOM 1100 O ASP A 74 2.870 5.637 -12.934 1.00 0.00 O ATOM 1101 CB ASP A 74 5.237 7.105 -11.749 1.00 0.00 C ATOM 1102 CG ASP A 74 5.088 7.089 -13.258 1.00 0.00 C ATOM 1103 OD1 ASP A 74 5.080 5.985 -13.841 1.00 0.00 O ATOM 1104 OD2 ASP A 74 4.978 8.180 -13.854 1.00 0.00 O ATOM 0 H ASP A 74 5.341 4.501 -11.860 1.00 0.00 H new ATOM 0 HA ASP A 74 4.110 6.465 -10.036 1.00 0.00 H new ATOM 0 HB2 ASP A 74 5.049 8.113 -11.379 1.00 0.00 H new ATOM 0 HB3 ASP A 74 6.265 6.856 -11.486 1.00 0.00 H new ATOM 1109 N THR A 75 1.903 6.569 -11.129 1.00 0.00 N ATOM 1110 CA THR A 75 0.570 6.590 -11.717 1.00 0.00 C ATOM 1111 C THR A 75 -0.141 7.905 -11.422 1.00 0.00 C ATOM 1112 O THR A 75 -0.111 8.401 -10.295 1.00 0.00 O ATOM 1113 CB THR A 75 -0.292 5.425 -11.196 1.00 0.00 C ATOM 1114 OG1 THR A 75 -1.575 5.441 -11.832 1.00 0.00 O ATOM 1115 CG2 THR A 75 -0.468 5.514 -9.687 1.00 0.00 C ATOM 0 H THR A 75 1.952 6.948 -10.183 1.00 0.00 H new ATOM 0 HA THR A 75 0.698 6.484 -12.794 1.00 0.00 H new ATOM 0 HB THR A 75 0.219 4.491 -11.432 1.00 0.00 H new ATOM 0 HG1 THR A 75 -2.116 4.696 -11.496 1.00 0.00 H new ATOM 0 HG21 THR A 75 -1.080 4.681 -9.342 1.00 0.00 H new ATOM 0 HG22 THR A 75 0.508 5.471 -9.204 1.00 0.00 H new ATOM 0 HG23 THR A 75 -0.958 6.454 -9.433 1.00 0.00 H new ATOM 1123 N THR A 76 -0.783 8.467 -12.442 1.00 0.00 N ATOM 1124 CA THR A 76 -1.503 9.726 -12.292 1.00 0.00 C ATOM 1125 C THR A 76 -2.946 9.487 -11.864 1.00 0.00 C ATOM 1126 O THR A 76 -3.855 10.202 -12.285 1.00 0.00 O ATOM 1127 CB THR A 76 -1.494 10.537 -13.601 1.00 0.00 C ATOM 1128 OG1 THR A 76 -1.946 9.719 -14.687 1.00 0.00 O ATOM 1129 CG2 THR A 76 -0.100 11.064 -13.902 1.00 0.00 C ATOM 0 H THR A 76 -0.819 8.070 -13.381 1.00 0.00 H new ATOM 0 HA THR A 76 -0.988 10.295 -11.518 1.00 0.00 H new ATOM 0 HB THR A 76 -2.167 11.386 -13.481 1.00 0.00 H new ATOM 0 HG1 THR A 76 -1.939 10.242 -15.516 1.00 0.00 H new ATOM 0 HG21 THR A 76 -0.119 11.633 -14.831 1.00 0.00 H new ATOM 0 HG22 THR A 76 0.229 11.710 -13.088 1.00 0.00 H new ATOM 0 HG23 THR A 76 0.591 10.227 -14.003 1.00 0.00 H new ATOM 1137 N SER A 77 -3.150 8.476 -11.025 1.00 0.00 N ATOM 1138 CA SER A 77 -4.485 8.141 -10.543 1.00 0.00 C ATOM 1139 C SER A 77 -4.429 7.611 -9.113 1.00 0.00 C ATOM 1140 O SER A 77 -3.362 7.250 -8.614 1.00 0.00 O ATOM 1141 CB SER A 77 -5.135 7.103 -11.459 1.00 0.00 C ATOM 1142 OG SER A 77 -5.348 7.630 -12.757 1.00 0.00 O ATOM 0 H SER A 77 -2.408 7.875 -10.665 1.00 0.00 H new ATOM 0 HA SER A 77 -5.087 9.050 -10.552 1.00 0.00 H new ATOM 0 HB2 SER A 77 -4.499 6.220 -11.522 1.00 0.00 H new ATOM 0 HB3 SER A 77 -6.086 6.782 -11.033 1.00 0.00 H new ATOM 0 HG SER A 77 -5.763 6.946 -13.324 1.00 0.00 H new ATOM 1148 N LEU A 78 -5.584 7.567 -8.460 1.00 0.00 N ATOM 1149 CA LEU A 78 -5.669 7.080 -7.087 1.00 0.00 C ATOM 1150 C LEU A 78 -5.862 5.568 -7.056 1.00 0.00 C ATOM 1151 O LEU A 78 -6.511 5.033 -6.157 1.00 0.00 O ATOM 1152 CB LEU A 78 -6.821 7.768 -6.351 1.00 0.00 C ATOM 1153 CG LEU A 78 -6.711 9.286 -6.203 1.00 0.00 C ATOM 1154 CD1 LEU A 78 -8.041 9.876 -5.760 1.00 0.00 C ATOM 1155 CD2 LEU A 78 -5.610 9.647 -5.217 1.00 0.00 C ATOM 0 H LEU A 78 -6.475 7.862 -8.858 1.00 0.00 H new ATOM 0 HA LEU A 78 -4.731 7.318 -6.585 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -7.749 7.540 -6.876 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -6.903 7.331 -5.356 1.00 0.00 H new ATOM 0 HG LEU A 78 -6.454 9.710 -7.174 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -7.944 10.957 -5.660 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -8.806 9.647 -6.502 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -8.328 9.447 -4.800 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -5.546 10.731 -5.124 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -5.836 9.212 -4.243 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -4.658 9.257 -5.576 1.00 0.00 H new ATOM 1167 N SER A 79 -5.292 4.883 -8.043 1.00 0.00 N ATOM 1168 CA SER A 79 -5.402 3.432 -8.129 1.00 0.00 C ATOM 1169 C SER A 79 -4.341 2.861 -9.065 1.00 0.00 C ATOM 1170 O SER A 79 -3.995 3.472 -10.076 1.00 0.00 O ATOM 1171 CB SER A 79 -6.796 3.034 -8.618 1.00 0.00 C ATOM 1172 OG SER A 79 -7.119 3.693 -9.830 1.00 0.00 O ATOM 0 H SER A 79 -4.750 5.310 -8.794 1.00 0.00 H new ATOM 0 HA SER A 79 -5.242 3.020 -7.132 1.00 0.00 H new ATOM 0 HB2 SER A 79 -6.839 1.955 -8.765 1.00 0.00 H new ATOM 0 HB3 SER A 79 -7.536 3.282 -7.857 1.00 0.00 H new ATOM 0 HG SER A 79 -8.014 3.420 -10.122 1.00 0.00 H new ATOM 1178 N TYR A 80 -3.827 1.686 -8.719 1.00 0.00 N ATOM 1179 CA TYR A 80 -2.803 1.033 -9.525 1.00 0.00 C ATOM 1180 C TYR A 80 -2.990 -0.481 -9.521 1.00 0.00 C ATOM 1181 O TYR A 80 -3.391 -1.068 -8.515 1.00 0.00 O ATOM 1182 CB TYR A 80 -1.409 1.386 -9.001 1.00 0.00 C ATOM 1183 CG TYR A 80 -0.298 0.597 -9.656 1.00 0.00 C ATOM 1184 CD1 TYR A 80 0.090 -0.640 -9.156 1.00 0.00 C ATOM 1185 CD2 TYR A 80 0.362 1.087 -10.776 1.00 0.00 C ATOM 1186 CE1 TYR A 80 1.106 -1.364 -9.750 1.00 0.00 C ATOM 1187 CE2 TYR A 80 1.377 0.369 -11.378 1.00 0.00 C ATOM 1188 CZ TYR A 80 1.746 -0.855 -10.861 1.00 0.00 C ATOM 1189 OH TYR A 80 2.756 -1.574 -11.457 1.00 0.00 O ATOM 0 H TYR A 80 -4.103 1.166 -7.886 1.00 0.00 H new ATOM 0 HA TYR A 80 -2.901 1.391 -10.550 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -1.229 2.450 -9.158 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -1.380 1.214 -7.925 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -0.411 -1.043 -8.288 1.00 0.00 H new ATOM 0 HD2 TYR A 80 0.077 2.046 -11.183 1.00 0.00 H new ATOM 0 HE1 TYR A 80 1.397 -2.323 -9.347 1.00 0.00 H new ATOM 0 HE2 TYR A 80 1.879 0.764 -12.249 1.00 0.00 H new ATOM 0 HH TYR A 80 3.284 -2.029 -10.768 1.00 0.00 H new ATOM 1199 N THR A 81 -2.697 -1.110 -10.656 1.00 0.00 N ATOM 1200 CA THR A 81 -2.833 -2.555 -10.786 1.00 0.00 C ATOM 1201 C THR A 81 -1.472 -3.241 -10.747 1.00 0.00 C ATOM 1202 O THR A 81 -0.658 -3.077 -11.655 1.00 0.00 O ATOM 1203 CB THR A 81 -3.551 -2.936 -12.094 1.00 0.00 C ATOM 1204 OG1 THR A 81 -4.657 -2.056 -12.321 1.00 0.00 O ATOM 1205 CG2 THR A 81 -4.043 -4.375 -12.043 1.00 0.00 C ATOM 0 H THR A 81 -2.364 -0.640 -11.498 1.00 0.00 H new ATOM 0 HA THR A 81 -3.431 -2.894 -9.940 1.00 0.00 H new ATOM 0 HB THR A 81 -2.839 -2.841 -12.913 1.00 0.00 H new ATOM 0 HG1 THR A 81 -5.107 -2.304 -13.156 1.00 0.00 H new ATOM 0 HG21 THR A 81 -4.547 -4.621 -12.978 1.00 0.00 H new ATOM 0 HG22 THR A 81 -3.195 -5.045 -11.901 1.00 0.00 H new ATOM 0 HG23 THR A 81 -4.740 -4.492 -11.214 1.00 0.00 H new ATOM 1213 N ALA A 82 -1.233 -4.011 -9.690 1.00 0.00 N ATOM 1214 CA ALA A 82 0.029 -4.724 -9.535 1.00 0.00 C ATOM 1215 C ALA A 82 -0.014 -6.075 -10.241 1.00 0.00 C ATOM 1216 O ALA A 82 -0.526 -7.055 -9.698 1.00 0.00 O ATOM 1217 CB ALA A 82 0.354 -4.907 -8.060 1.00 0.00 C ATOM 0 H ALA A 82 -1.896 -4.157 -8.929 1.00 0.00 H new ATOM 0 HA ALA A 82 0.815 -4.127 -9.997 1.00 0.00 H new ATOM 0 HB1 ALA A 82 1.299 -5.441 -7.959 1.00 0.00 H new ATOM 0 HB2 ALA A 82 0.436 -3.931 -7.582 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -0.440 -5.480 -7.581 1.00 0.00 H new ATOM 1223 N THR A 83 0.526 -6.121 -11.455 1.00 0.00 N ATOM 1224 CA THR A 83 0.547 -7.352 -12.236 1.00 0.00 C ATOM 1225 C THR A 83 1.887 -8.066 -12.100 1.00 0.00 C ATOM 1226 O THR A 83 2.894 -7.455 -11.744 1.00 0.00 O ATOM 1227 CB THR A 83 0.273 -7.076 -13.726 1.00 0.00 C ATOM 1228 OG1 THR A 83 1.259 -6.178 -14.248 1.00 0.00 O ATOM 1229 CG2 THR A 83 -1.114 -6.484 -13.921 1.00 0.00 C ATOM 0 H THR A 83 0.955 -5.320 -11.919 1.00 0.00 H new ATOM 0 HA THR A 83 -0.243 -7.991 -11.842 1.00 0.00 H new ATOM 0 HB THR A 83 0.325 -8.023 -14.263 1.00 0.00 H new ATOM 0 HG1 THR A 83 1.078 -6.009 -15.196 1.00 0.00 H new ATOM 0 HG21 THR A 83 -1.284 -6.298 -14.981 1.00 0.00 H new ATOM 0 HG22 THR A 83 -1.863 -7.183 -13.550 1.00 0.00 H new ATOM 0 HG23 THR A 83 -1.190 -5.546 -13.371 1.00 0.00 H new ATOM 1237 N GLY A 84 1.893 -9.364 -12.388 1.00 0.00 N ATOM 1238 CA GLY A 84 3.116 -10.139 -12.293 1.00 0.00 C ATOM 1239 C GLY A 84 3.562 -10.344 -10.859 1.00 0.00 C ATOM 1240 O GLY A 84 4.698 -10.027 -10.503 1.00 0.00 O ATOM 0 H GLY A 84 1.073 -9.892 -12.685 1.00 0.00 H new ATOM 0 HA2 GLY A 84 2.965 -11.110 -12.766 1.00 0.00 H new ATOM 0 HA3 GLY A 84 3.907 -9.634 -12.848 1.00 0.00 H new ATOM 1244 N LEU A 85 2.667 -10.875 -10.033 1.00 0.00 N ATOM 1245 CA LEU A 85 2.974 -11.120 -8.628 1.00 0.00 C ATOM 1246 C LEU A 85 3.010 -12.616 -8.332 1.00 0.00 C ATOM 1247 O LEU A 85 2.888 -13.443 -9.236 1.00 0.00 O ATOM 1248 CB LEU A 85 1.940 -10.437 -7.732 1.00 0.00 C ATOM 1249 CG LEU A 85 1.357 -9.126 -8.261 1.00 0.00 C ATOM 1250 CD1 LEU A 85 0.007 -8.844 -7.618 1.00 0.00 C ATOM 1251 CD2 LEU A 85 2.319 -7.974 -8.010 1.00 0.00 C ATOM 0 H LEU A 85 1.723 -11.144 -10.312 1.00 0.00 H new ATOM 0 HA LEU A 85 3.959 -10.702 -8.419 1.00 0.00 H new ATOM 0 HB2 LEU A 85 1.119 -11.134 -7.561 1.00 0.00 H new ATOM 0 HB3 LEU A 85 2.400 -10.242 -6.763 1.00 0.00 H new ATOM 0 HG LEU A 85 1.211 -9.224 -9.337 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -0.392 -7.907 -8.007 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -0.683 -9.656 -7.849 1.00 0.00 H new ATOM 0 HD13 LEU A 85 0.128 -8.767 -6.537 1.00 0.00 H new ATOM 0 HD21 LEU A 85 1.887 -7.049 -8.393 1.00 0.00 H new ATOM 0 HD22 LEU A 85 2.497 -7.875 -6.939 1.00 0.00 H new ATOM 0 HD23 LEU A 85 3.263 -8.171 -8.518 1.00 0.00 H new ATOM 1263 N LYS A 86 3.177 -12.958 -7.059 1.00 0.00 N ATOM 1264 CA LYS A 86 3.226 -14.355 -6.641 1.00 0.00 C ATOM 1265 C LYS A 86 1.868 -14.814 -6.119 1.00 0.00 C ATOM 1266 O LYS A 86 1.229 -14.144 -5.308 1.00 0.00 O ATOM 1267 CB LYS A 86 4.291 -14.548 -5.560 1.00 0.00 C ATOM 1268 CG LYS A 86 4.554 -16.005 -5.218 1.00 0.00 C ATOM 1269 CD LYS A 86 5.327 -16.142 -3.918 1.00 0.00 C ATOM 1270 CE LYS A 86 6.785 -15.742 -4.092 1.00 0.00 C ATOM 1271 NZ LYS A 86 6.987 -14.281 -3.888 1.00 0.00 N ATOM 0 H LYS A 86 3.281 -12.287 -6.298 1.00 0.00 H new ATOM 0 HA LYS A 86 3.485 -14.960 -7.510 1.00 0.00 H new ATOM 0 HB2 LYS A 86 5.222 -14.088 -5.892 1.00 0.00 H new ATOM 0 HB3 LYS A 86 3.980 -14.022 -4.657 1.00 0.00 H new ATOM 0 HG2 LYS A 86 3.606 -16.537 -5.137 1.00 0.00 H new ATOM 0 HG3 LYS A 86 5.114 -16.474 -6.027 1.00 0.00 H new ATOM 0 HD2 LYS A 86 4.866 -15.518 -3.152 1.00 0.00 H new ATOM 0 HD3 LYS A 86 5.271 -17.172 -3.567 1.00 0.00 H new ATOM 0 HE2 LYS A 86 7.401 -16.296 -3.384 1.00 0.00 H new ATOM 0 HE3 LYS A 86 7.121 -16.019 -5.091 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 7.314 -13.848 -4.776 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 6.089 -13.843 -3.599 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 7.700 -14.129 -3.146 1.00 0.00 H new ATOM 1285 N PRO A 87 1.416 -15.985 -6.593 1.00 0.00 N ATOM 1286 CA PRO A 87 0.131 -16.560 -6.185 1.00 0.00 C ATOM 1287 C PRO A 87 0.143 -17.039 -4.738 1.00 0.00 C ATOM 1288 O PRO A 87 1.198 -17.341 -4.183 1.00 0.00 O ATOM 1289 CB PRO A 87 -0.045 -17.745 -7.139 1.00 0.00 C ATOM 1290 CG PRO A 87 1.341 -18.120 -7.537 1.00 0.00 C ATOM 1291 CD PRO A 87 2.126 -16.837 -7.562 1.00 0.00 C ATOM 0 HA PRO A 87 -0.677 -15.830 -6.235 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -0.555 -18.575 -6.650 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -0.645 -17.469 -8.006 1.00 0.00 H new ATOM 0 HG2 PRO A 87 1.772 -18.828 -6.829 1.00 0.00 H new ATOM 0 HG3 PRO A 87 1.349 -18.602 -8.515 1.00 0.00 H new ATOM 0 HD2 PRO A 87 3.165 -16.996 -7.272 1.00 0.00 H new ATOM 0 HD3 PRO A 87 2.137 -16.392 -8.557 1.00 0.00 H new ATOM 1299 N ASN A 88 -1.038 -17.105 -4.131 1.00 0.00 N ATOM 1300 CA ASN A 88 -1.163 -17.547 -2.747 1.00 0.00 C ATOM 1301 C ASN A 88 -0.145 -16.841 -1.857 1.00 0.00 C ATOM 1302 O ASN A 88 0.398 -17.434 -0.923 1.00 0.00 O ATOM 1303 CB ASN A 88 -0.974 -19.062 -2.655 1.00 0.00 C ATOM 1304 CG ASN A 88 0.447 -19.488 -2.969 1.00 0.00 C ATOM 1305 OD1 ASN A 88 0.660 -19.988 -4.181 1.00 0.00 O flip ATOM 1306 ND2 ASN A 88 1.342 -19.369 -2.132 1.00 0.00 N flip ATOM 0 H ASN A 88 -1.922 -16.858 -4.576 1.00 0.00 H new ATOM 0 HA ASN A 88 -2.163 -17.291 -2.398 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -1.238 -19.398 -1.652 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -1.659 -19.553 -3.346 1.00 0.00 H new ATOM 0 HD21 ASN A 88 1.132 -18.979 -1.213 1.00 0.00 H new ATOM 0 HD22 ASN A 88 2.293 -19.660 -2.358 1.00 0.00 H new ATOM 1313 N THR A 89 0.111 -15.570 -2.152 1.00 0.00 N ATOM 1314 CA THR A 89 1.064 -14.783 -1.380 1.00 0.00 C ATOM 1315 C THR A 89 0.566 -13.357 -1.181 1.00 0.00 C ATOM 1316 O THR A 89 -0.021 -12.762 -2.084 1.00 0.00 O ATOM 1317 CB THR A 89 2.444 -14.742 -2.064 1.00 0.00 C ATOM 1318 OG1 THR A 89 2.731 -16.010 -2.663 1.00 0.00 O ATOM 1319 CG2 THR A 89 3.534 -14.389 -1.063 1.00 0.00 C ATOM 0 H THR A 89 -0.329 -15.064 -2.921 1.00 0.00 H new ATOM 0 HA THR A 89 1.162 -15.269 -0.409 1.00 0.00 H new ATOM 0 HB THR A 89 2.420 -13.973 -2.836 1.00 0.00 H new ATOM 0 HG1 THR A 89 2.115 -16.166 -3.409 1.00 0.00 H new ATOM 0 HG21 THR A 89 4.499 -14.366 -1.569 1.00 0.00 H new ATOM 0 HG22 THR A 89 3.328 -13.410 -0.631 1.00 0.00 H new ATOM 0 HG23 THR A 89 3.557 -15.138 -0.271 1.00 0.00 H new ATOM 1327 N MET A 90 0.803 -12.812 0.008 1.00 0.00 N ATOM 1328 CA MET A 90 0.379 -11.453 0.325 1.00 0.00 C ATOM 1329 C MET A 90 1.584 -10.552 0.574 1.00 0.00 C ATOM 1330 O MET A 90 2.629 -11.010 1.038 1.00 0.00 O ATOM 1331 CB MET A 90 -0.534 -11.454 1.552 1.00 0.00 C ATOM 1332 CG MET A 90 -0.966 -10.063 1.989 1.00 0.00 C ATOM 1333 SD MET A 90 -1.861 -10.074 3.554 1.00 0.00 S ATOM 1334 CE MET A 90 -0.619 -10.756 4.649 1.00 0.00 C ATOM 0 H MET A 90 1.286 -13.291 0.768 1.00 0.00 H new ATOM 0 HA MET A 90 -0.174 -11.063 -0.530 1.00 0.00 H new ATOM 0 HB2 MET A 90 -1.421 -12.049 1.334 1.00 0.00 H new ATOM 0 HB3 MET A 90 -0.018 -11.942 2.379 1.00 0.00 H new ATOM 0 HG2 MET A 90 -0.086 -9.426 2.082 1.00 0.00 H new ATOM 0 HG3 MET A 90 -1.597 -9.623 1.217 1.00 0.00 H new ATOM 0 HE1 MET A 90 -0.817 -10.432 5.671 1.00 0.00 H new ATOM 0 HE2 MET A 90 -0.650 -11.845 4.601 1.00 0.00 H new ATOM 0 HE3 MET A 90 0.367 -10.407 4.342 1.00 0.00 H new ATOM 1344 N TYR A 91 1.432 -9.270 0.262 1.00 0.00 N ATOM 1345 CA TYR A 91 2.509 -8.305 0.449 1.00 0.00 C ATOM 1346 C TYR A 91 1.979 -7.005 1.048 1.00 0.00 C ATOM 1347 O TYR A 91 0.783 -6.871 1.305 1.00 0.00 O ATOM 1348 CB TYR A 91 3.204 -8.019 -0.883 1.00 0.00 C ATOM 1349 CG TYR A 91 3.003 -9.105 -1.916 1.00 0.00 C ATOM 1350 CD1 TYR A 91 3.413 -10.410 -1.670 1.00 0.00 C ATOM 1351 CD2 TYR A 91 2.402 -8.826 -3.138 1.00 0.00 C ATOM 1352 CE1 TYR A 91 3.232 -11.405 -2.611 1.00 0.00 C ATOM 1353 CE2 TYR A 91 2.215 -9.815 -4.084 1.00 0.00 C ATOM 1354 CZ TYR A 91 2.632 -11.103 -3.816 1.00 0.00 C ATOM 1355 OH TYR A 91 2.449 -12.090 -4.757 1.00 0.00 O ATOM 0 H TYR A 91 0.573 -8.875 -0.122 1.00 0.00 H new ATOM 0 HA TYR A 91 3.231 -8.736 1.143 1.00 0.00 H new ATOM 0 HB2 TYR A 91 2.831 -7.076 -1.282 1.00 0.00 H new ATOM 0 HB3 TYR A 91 4.272 -7.891 -0.706 1.00 0.00 H new ATOM 0 HD1 TYR A 91 3.881 -10.650 -0.727 1.00 0.00 H new ATOM 0 HD2 TYR A 91 2.076 -7.819 -3.351 1.00 0.00 H new ATOM 0 HE1 TYR A 91 3.558 -12.414 -2.405 1.00 0.00 H new ATOM 0 HE2 TYR A 91 1.745 -9.582 -5.028 1.00 0.00 H new ATOM 0 HH TYR A 91 1.733 -12.692 -4.465 1.00 0.00 H new ATOM 1365 N GLU A 92 2.878 -6.051 1.265 1.00 0.00 N ATOM 1366 CA GLU A 92 2.501 -4.762 1.833 1.00 0.00 C ATOM 1367 C GLU A 92 2.543 -3.666 0.771 1.00 0.00 C ATOM 1368 O GLU A 92 3.559 -3.471 0.104 1.00 0.00 O ATOM 1369 CB GLU A 92 3.431 -4.399 2.992 1.00 0.00 C ATOM 1370 CG GLU A 92 4.565 -3.469 2.595 1.00 0.00 C ATOM 1371 CD GLU A 92 5.639 -3.370 3.661 1.00 0.00 C ATOM 1372 OE1 GLU A 92 6.417 -4.335 3.812 1.00 0.00 O ATOM 1373 OE2 GLU A 92 5.701 -2.326 4.345 1.00 0.00 O ATOM 0 H GLU A 92 3.872 -6.146 1.056 1.00 0.00 H new ATOM 0 HA GLU A 92 1.480 -4.843 2.207 1.00 0.00 H new ATOM 0 HB2 GLU A 92 2.846 -3.928 3.782 1.00 0.00 H new ATOM 0 HB3 GLU A 92 3.852 -5.314 3.409 1.00 0.00 H new ATOM 0 HG2 GLU A 92 5.012 -3.823 1.666 1.00 0.00 H new ATOM 0 HG3 GLU A 92 4.163 -2.476 2.397 1.00 0.00 H new ATOM 1380 N PHE A 93 1.431 -2.955 0.619 1.00 0.00 N ATOM 1381 CA PHE A 93 1.338 -1.881 -0.362 1.00 0.00 C ATOM 1382 C PHE A 93 1.206 -0.525 0.327 1.00 0.00 C ATOM 1383 O PHE A 93 0.814 -0.444 1.490 1.00 0.00 O ATOM 1384 CB PHE A 93 0.145 -2.111 -1.292 1.00 0.00 C ATOM 1385 CG PHE A 93 0.227 -3.397 -2.064 1.00 0.00 C ATOM 1386 CD1 PHE A 93 0.121 -4.617 -1.416 1.00 0.00 C ATOM 1387 CD2 PHE A 93 0.408 -3.385 -3.437 1.00 0.00 C ATOM 1388 CE1 PHE A 93 0.197 -5.802 -2.124 1.00 0.00 C ATOM 1389 CE2 PHE A 93 0.484 -4.567 -4.151 1.00 0.00 C ATOM 1390 CZ PHE A 93 0.377 -5.776 -3.493 1.00 0.00 C ATOM 0 H PHE A 93 0.581 -3.104 1.163 1.00 0.00 H new ATOM 0 HA PHE A 93 2.255 -1.882 -0.952 1.00 0.00 H new ATOM 0 HB2 PHE A 93 -0.771 -2.108 -0.702 1.00 0.00 H new ATOM 0 HB3 PHE A 93 0.075 -1.279 -1.993 1.00 0.00 H new ATOM 0 HD1 PHE A 93 -0.023 -4.643 -0.346 1.00 0.00 H new ATOM 0 HD2 PHE A 93 0.491 -2.442 -3.956 1.00 0.00 H new ATOM 0 HE1 PHE A 93 0.116 -6.747 -1.607 1.00 0.00 H new ATOM 0 HE2 PHE A 93 0.627 -4.544 -5.221 1.00 0.00 H new ATOM 0 HZ PHE A 93 0.434 -6.701 -4.048 1.00 0.00 H new ATOM 1400 N SER A 94 1.538 0.536 -0.401 1.00 0.00 N ATOM 1401 CA SER A 94 1.461 1.888 0.140 1.00 0.00 C ATOM 1402 C SER A 94 1.244 2.908 -0.974 1.00 0.00 C ATOM 1403 O SER A 94 1.235 2.561 -2.156 1.00 0.00 O ATOM 1404 CB SER A 94 2.738 2.224 0.913 1.00 0.00 C ATOM 1405 OG SER A 94 2.592 1.929 2.291 1.00 0.00 O ATOM 0 H SER A 94 1.863 0.486 -1.367 1.00 0.00 H new ATOM 0 HA SER A 94 0.610 1.933 0.820 1.00 0.00 H new ATOM 0 HB2 SER A 94 3.575 1.658 0.503 1.00 0.00 H new ATOM 0 HB3 SER A 94 2.976 3.280 0.787 1.00 0.00 H new ATOM 0 HG SER A 94 2.119 2.664 2.734 1.00 0.00 H new ATOM 1411 N VAL A 95 1.070 4.168 -0.589 1.00 0.00 N ATOM 1412 CA VAL A 95 0.855 5.240 -1.554 1.00 0.00 C ATOM 1413 C VAL A 95 1.457 6.551 -1.063 1.00 0.00 C ATOM 1414 O VAL A 95 1.338 6.899 0.112 1.00 0.00 O ATOM 1415 CB VAL A 95 -0.645 5.450 -1.834 1.00 0.00 C ATOM 1416 CG1 VAL A 95 -0.849 6.573 -2.839 1.00 0.00 C ATOM 1417 CG2 VAL A 95 -1.280 4.159 -2.329 1.00 0.00 C ATOM 0 H VAL A 95 1.074 4.472 0.385 1.00 0.00 H new ATOM 0 HA VAL A 95 1.351 4.939 -2.477 1.00 0.00 H new ATOM 0 HB VAL A 95 -1.134 5.735 -0.903 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -1.915 6.706 -3.024 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -0.431 7.498 -2.441 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -0.347 6.321 -3.773 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -2.340 4.325 -2.522 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -0.789 3.842 -3.249 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -1.167 3.384 -1.571 1.00 0.00 H new ATOM 1427 N MET A 96 2.104 7.276 -1.970 1.00 0.00 N ATOM 1428 CA MET A 96 2.724 8.551 -1.629 1.00 0.00 C ATOM 1429 C MET A 96 2.516 9.571 -2.743 1.00 0.00 C ATOM 1430 O MET A 96 1.818 9.304 -3.722 1.00 0.00 O ATOM 1431 CB MET A 96 4.219 8.361 -1.367 1.00 0.00 C ATOM 1432 CG MET A 96 4.969 7.748 -2.539 1.00 0.00 C ATOM 1433 SD MET A 96 6.758 7.792 -2.318 1.00 0.00 S ATOM 1434 CE MET A 96 7.085 9.537 -2.549 1.00 0.00 C ATOM 0 H MET A 96 2.212 7.002 -2.947 1.00 0.00 H new ATOM 0 HA MET A 96 2.249 8.927 -0.723 1.00 0.00 H new ATOM 0 HB2 MET A 96 4.663 9.327 -1.128 1.00 0.00 H new ATOM 0 HB3 MET A 96 4.348 7.725 -0.491 1.00 0.00 H new ATOM 0 HG2 MET A 96 4.648 6.715 -2.670 1.00 0.00 H new ATOM 0 HG3 MET A 96 4.706 8.282 -3.453 1.00 0.00 H new ATOM 0 HE1 MET A 96 7.599 9.688 -3.498 1.00 0.00 H new ATOM 0 HE2 MET A 96 6.143 10.086 -2.555 1.00 0.00 H new ATOM 0 HE3 MET A 96 7.712 9.901 -1.735 1.00 0.00 H new ATOM 1444 N VAL A 97 3.127 10.742 -2.589 1.00 0.00 N ATOM 1445 CA VAL A 97 3.010 11.803 -3.582 1.00 0.00 C ATOM 1446 C VAL A 97 4.278 12.647 -3.637 1.00 0.00 C ATOM 1447 O VAL A 97 4.920 12.891 -2.615 1.00 0.00 O ATOM 1448 CB VAL A 97 1.808 12.719 -3.286 1.00 0.00 C ATOM 1449 CG1 VAL A 97 1.989 13.422 -1.949 1.00 0.00 C ATOM 1450 CG2 VAL A 97 1.620 13.730 -4.407 1.00 0.00 C ATOM 0 H VAL A 97 3.708 10.980 -1.785 1.00 0.00 H new ATOM 0 HA VAL A 97 2.858 11.318 -4.546 1.00 0.00 H new ATOM 0 HB VAL A 97 0.910 12.104 -3.228 1.00 0.00 H new ATOM 0 HG11 VAL A 97 1.130 14.065 -1.757 1.00 0.00 H new ATOM 0 HG12 VAL A 97 2.071 12.679 -1.156 1.00 0.00 H new ATOM 0 HG13 VAL A 97 2.896 14.026 -1.975 1.00 0.00 H new ATOM 0 HG21 VAL A 97 0.766 14.369 -4.181 1.00 0.00 H new ATOM 0 HG22 VAL A 97 2.517 14.342 -4.499 1.00 0.00 H new ATOM 0 HG23 VAL A 97 1.442 13.204 -5.345 1.00 0.00 H new ATOM 1460 N THR A 98 4.634 13.092 -4.838 1.00 0.00 N ATOM 1461 CA THR A 98 5.826 13.909 -5.027 1.00 0.00 C ATOM 1462 C THR A 98 5.472 15.272 -5.611 1.00 0.00 C ATOM 1463 O THR A 98 5.328 15.421 -6.825 1.00 0.00 O ATOM 1464 CB THR A 98 6.842 13.215 -5.954 1.00 0.00 C ATOM 1465 OG1 THR A 98 7.212 11.943 -5.411 1.00 0.00 O ATOM 1466 CG2 THR A 98 8.084 14.074 -6.137 1.00 0.00 C ATOM 0 H THR A 98 4.114 12.900 -5.694 1.00 0.00 H new ATOM 0 HA THR A 98 6.275 14.044 -4.043 1.00 0.00 H new ATOM 0 HB THR A 98 6.372 13.072 -6.927 1.00 0.00 H new ATOM 0 HG1 THR A 98 8.155 11.963 -5.145 1.00 0.00 H new ATOM 0 HG21 THR A 98 8.786 13.563 -6.795 1.00 0.00 H new ATOM 0 HG22 THR A 98 7.803 15.030 -6.578 1.00 0.00 H new ATOM 0 HG23 THR A 98 8.554 14.245 -5.168 1.00 0.00 H new ATOM 1474 N LYS A 99 5.333 16.265 -4.740 1.00 0.00 N ATOM 1475 CA LYS A 99 4.997 17.618 -5.168 1.00 0.00 C ATOM 1476 C LYS A 99 6.021 18.623 -4.650 1.00 0.00 C ATOM 1477 O LYS A 99 6.595 18.441 -3.577 1.00 0.00 O ATOM 1478 CB LYS A 99 3.599 17.999 -4.676 1.00 0.00 C ATOM 1479 CG LYS A 99 3.075 19.294 -5.273 1.00 0.00 C ATOM 1480 CD LYS A 99 1.611 19.514 -4.930 1.00 0.00 C ATOM 1481 CE LYS A 99 1.454 20.294 -3.634 1.00 0.00 C ATOM 1482 NZ LYS A 99 1.958 21.690 -3.761 1.00 0.00 N ATOM 0 H LYS A 99 5.448 16.158 -3.732 1.00 0.00 H new ATOM 0 HA LYS A 99 5.011 17.641 -6.258 1.00 0.00 H new ATOM 0 HB2 LYS A 99 2.906 17.192 -4.916 1.00 0.00 H new ATOM 0 HB3 LYS A 99 3.618 18.091 -3.590 1.00 0.00 H new ATOM 0 HG2 LYS A 99 3.666 20.132 -4.903 1.00 0.00 H new ATOM 0 HG3 LYS A 99 3.197 19.272 -6.356 1.00 0.00 H new ATOM 0 HD2 LYS A 99 1.123 20.053 -5.742 1.00 0.00 H new ATOM 0 HD3 LYS A 99 1.109 18.551 -4.840 1.00 0.00 H new ATOM 0 HE2 LYS A 99 0.403 20.312 -3.347 1.00 0.00 H new ATOM 0 HE3 LYS A 99 1.994 19.784 -2.836 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 1.467 22.300 -3.076 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 2.980 21.709 -3.571 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 1.779 22.037 -4.725 1.00 0.00 H new ATOM 1496 N ASN A 100 6.244 19.684 -5.419 1.00 0.00 N ATOM 1497 CA ASN A 100 7.198 20.718 -5.037 1.00 0.00 C ATOM 1498 C ASN A 100 8.630 20.201 -5.137 1.00 0.00 C ATOM 1499 O ASN A 100 9.433 20.386 -4.223 1.00 0.00 O ATOM 1500 CB ASN A 100 6.916 21.200 -3.612 1.00 0.00 C ATOM 1501 CG ASN A 100 7.328 22.643 -3.398 1.00 0.00 C ATOM 1502 OD1 ASN A 100 7.562 23.382 -4.355 1.00 0.00 O ATOM 1503 ND2 ASN A 100 7.418 23.052 -2.138 1.00 0.00 N ATOM 0 H ASN A 100 5.777 19.850 -6.310 1.00 0.00 H new ATOM 0 HA ASN A 100 7.084 21.555 -5.726 1.00 0.00 H new ATOM 0 HB2 ASN A 100 5.852 21.093 -3.399 1.00 0.00 H new ATOM 0 HB3 ASN A 100 7.448 20.564 -2.904 1.00 0.00 H new ATOM 0 HD21 ASN A 100 7.690 24.013 -1.932 1.00 0.00 H new ATOM 0 HD22 ASN A 100 7.215 22.405 -1.376 1.00 0.00 H new ATOM 1510 N ARG A 101 8.942 19.553 -6.255 1.00 0.00 N ATOM 1511 CA ARG A 101 10.276 19.008 -6.475 1.00 0.00 C ATOM 1512 C ARG A 101 10.744 18.208 -5.262 1.00 0.00 C ATOM 1513 O ARG A 101 11.938 18.150 -4.967 1.00 0.00 O ATOM 1514 CB ARG A 101 11.268 20.135 -6.769 1.00 0.00 C ATOM 1515 CG ARG A 101 11.620 20.971 -5.549 1.00 0.00 C ATOM 1516 CD ARG A 101 13.012 21.572 -5.668 1.00 0.00 C ATOM 1517 NE ARG A 101 14.037 20.691 -5.116 1.00 0.00 N ATOM 1518 CZ ARG A 101 15.330 20.801 -5.400 1.00 0.00 C ATOM 1519 NH1 ARG A 101 15.753 21.748 -6.225 1.00 0.00 N ATOM 1520 NH2 ARG A 101 16.203 19.961 -4.858 1.00 0.00 N ATOM 0 H ARG A 101 8.289 19.393 -7.022 1.00 0.00 H new ATOM 0 HA ARG A 101 10.231 18.339 -7.334 1.00 0.00 H new ATOM 0 HB2 ARG A 101 12.181 19.705 -7.180 1.00 0.00 H new ATOM 0 HB3 ARG A 101 10.848 20.786 -7.536 1.00 0.00 H new ATOM 0 HG2 ARG A 101 10.887 21.769 -5.430 1.00 0.00 H new ATOM 0 HG3 ARG A 101 11.565 20.351 -4.654 1.00 0.00 H new ATOM 0 HD2 ARG A 101 13.232 21.772 -6.717 1.00 0.00 H new ATOM 0 HD3 ARG A 101 13.039 22.530 -5.148 1.00 0.00 H new ATOM 0 HE ARG A 101 13.744 19.951 -4.478 1.00 0.00 H new ATOM 0 HH11 ARG A 101 15.085 22.395 -6.644 1.00 0.00 H new ATOM 0 HH12 ARG A 101 16.747 21.830 -6.441 1.00 0.00 H new ATOM 0 HH21 ARG A 101 15.881 19.230 -4.223 1.00 0.00 H new ATOM 0 HH22 ARG A 101 17.196 20.046 -5.076 1.00 0.00 H new ATOM 1534 N ARG A 102 9.795 17.594 -4.563 1.00 0.00 N ATOM 1535 CA ARG A 102 10.110 16.799 -3.382 1.00 0.00 C ATOM 1536 C ARG A 102 9.129 15.640 -3.230 1.00 0.00 C ATOM 1537 O ARG A 102 7.968 15.739 -3.628 1.00 0.00 O ATOM 1538 CB ARG A 102 10.078 17.676 -2.129 1.00 0.00 C ATOM 1539 CG ARG A 102 8.674 18.040 -1.675 1.00 0.00 C ATOM 1540 CD ARG A 102 8.650 18.449 -0.211 1.00 0.00 C ATOM 1541 NE ARG A 102 9.182 19.794 -0.009 1.00 0.00 N ATOM 1542 CZ ARG A 102 8.960 20.516 1.083 1.00 0.00 C ATOM 1543 NH1 ARG A 102 8.220 20.025 2.067 1.00 0.00 N ATOM 1544 NH2 ARG A 102 9.479 21.733 1.193 1.00 0.00 N ATOM 0 H ARG A 102 8.802 17.632 -4.794 1.00 0.00 H new ATOM 0 HA ARG A 102 11.113 16.390 -3.506 1.00 0.00 H new ATOM 0 HB2 ARG A 102 10.589 17.156 -1.319 1.00 0.00 H new ATOM 0 HB3 ARG A 102 10.637 18.592 -2.323 1.00 0.00 H new ATOM 0 HG2 ARG A 102 8.292 18.856 -2.288 1.00 0.00 H new ATOM 0 HG3 ARG A 102 8.009 17.190 -1.827 1.00 0.00 H new ATOM 0 HD2 ARG A 102 7.626 18.405 0.161 1.00 0.00 H new ATOM 0 HD3 ARG A 102 9.233 17.737 0.374 1.00 0.00 H new ATOM 0 HE ARG A 102 9.756 20.201 -0.748 1.00 0.00 H new ATOM 0 HH11 ARG A 102 7.820 19.090 1.986 1.00 0.00 H new ATOM 0 HH12 ARG A 102 8.051 20.582 2.905 1.00 0.00 H new ATOM 0 HH21 ARG A 102 10.049 22.114 0.438 1.00 0.00 H new ATOM 0 HH22 ARG A 102 9.308 22.287 2.032 1.00 0.00 H new ATOM 1558 N SER A 103 9.604 14.541 -2.652 1.00 0.00 N ATOM 1559 CA SER A 103 8.771 13.362 -2.452 1.00 0.00 C ATOM 1560 C SER A 103 8.178 13.348 -1.046 1.00 0.00 C ATOM 1561 O SER A 103 8.767 13.883 -0.107 1.00 0.00 O ATOM 1562 CB SER A 103 9.588 12.089 -2.685 1.00 0.00 C ATOM 1563 OG SER A 103 9.504 11.669 -4.036 1.00 0.00 O ATOM 0 H SER A 103 10.561 14.443 -2.314 1.00 0.00 H new ATOM 0 HA SER A 103 7.954 13.398 -3.172 1.00 0.00 H new ATOM 0 HB2 SER A 103 10.630 12.269 -2.421 1.00 0.00 H new ATOM 0 HB3 SER A 103 9.226 11.296 -2.031 1.00 0.00 H new ATOM 0 HG SER A 103 10.035 10.855 -4.159 1.00 0.00 H new ATOM 1569 N SER A 104 7.008 12.733 -0.911 1.00 0.00 N ATOM 1570 CA SER A 104 6.331 12.652 0.379 1.00 0.00 C ATOM 1571 C SER A 104 6.546 11.285 1.020 1.00 0.00 C ATOM 1572 O SER A 104 7.223 10.422 0.460 1.00 0.00 O ATOM 1573 CB SER A 104 4.834 12.921 0.211 1.00 0.00 C ATOM 1574 OG SER A 104 4.132 12.664 1.414 1.00 0.00 O ATOM 0 H SER A 104 6.509 12.283 -1.678 1.00 0.00 H new ATOM 0 HA SER A 104 6.757 13.412 1.034 1.00 0.00 H new ATOM 0 HB2 SER A 104 4.679 13.957 -0.090 1.00 0.00 H new ATOM 0 HB3 SER A 104 4.436 12.294 -0.587 1.00 0.00 H new ATOM 0 HG SER A 104 3.178 12.845 1.281 1.00 0.00 H new ATOM 1580 N THR A 105 5.963 11.094 2.200 1.00 0.00 N ATOM 1581 CA THR A 105 6.091 9.833 2.920 1.00 0.00 C ATOM 1582 C THR A 105 4.978 8.865 2.534 1.00 0.00 C ATOM 1583 O THR A 105 3.962 9.267 1.968 1.00 0.00 O ATOM 1584 CB THR A 105 6.060 10.051 4.444 1.00 0.00 C ATOM 1585 OG1 THR A 105 6.410 8.838 5.120 1.00 0.00 O ATOM 1586 CG2 THR A 105 4.682 10.510 4.898 1.00 0.00 C ATOM 0 H THR A 105 5.398 11.797 2.677 1.00 0.00 H new ATOM 0 HA THR A 105 7.054 9.406 2.641 1.00 0.00 H new ATOM 0 HB THR A 105 6.784 10.827 4.692 1.00 0.00 H new ATOM 0 HG1 THR A 105 6.390 8.986 6.089 1.00 0.00 H new ATOM 0 HG21 THR A 105 4.685 10.657 5.978 1.00 0.00 H new ATOM 0 HG22 THR A 105 4.430 11.449 4.404 1.00 0.00 H new ATOM 0 HG23 THR A 105 3.942 9.753 4.637 1.00 0.00 H new ATOM 1594 N TRP A 106 5.177 7.589 2.844 1.00 0.00 N ATOM 1595 CA TRP A 106 4.189 6.563 2.529 1.00 0.00 C ATOM 1596 C TRP A 106 3.141 6.461 3.631 1.00 0.00 C ATOM 1597 O TRP A 106 3.473 6.438 4.816 1.00 0.00 O ATOM 1598 CB TRP A 106 4.874 5.210 2.332 1.00 0.00 C ATOM 1599 CG TRP A 106 6.004 5.253 1.349 1.00 0.00 C ATOM 1600 CD1 TRP A 106 7.311 5.548 1.614 1.00 0.00 C ATOM 1601 CD2 TRP A 106 5.926 4.995 -0.058 1.00 0.00 C ATOM 1602 NE1 TRP A 106 8.050 5.489 0.457 1.00 0.00 N ATOM 1603 CE2 TRP A 106 7.224 5.150 -0.582 1.00 0.00 C ATOM 1604 CE3 TRP A 106 4.887 4.645 -0.924 1.00 0.00 C ATOM 1605 CZ2 TRP A 106 7.507 4.970 -1.933 1.00 0.00 C ATOM 1606 CZ3 TRP A 106 5.170 4.466 -2.265 1.00 0.00 C ATOM 1607 CH2 TRP A 106 6.471 4.628 -2.759 1.00 0.00 C ATOM 0 H TRP A 106 6.013 7.240 3.313 1.00 0.00 H new ATOM 0 HA TRP A 106 3.689 6.847 1.603 1.00 0.00 H new ATOM 0 HB2 TRP A 106 5.251 4.859 3.293 1.00 0.00 H new ATOM 0 HB3 TRP A 106 4.136 4.483 1.994 1.00 0.00 H new ATOM 0 HD1 TRP A 106 7.706 5.792 2.589 1.00 0.00 H new ATOM 0 HE1 TRP A 106 9.051 5.669 0.384 1.00 0.00 H new ATOM 0 HE3 TRP A 106 3.881 4.517 -0.552 1.00 0.00 H new ATOM 0 HZ2 TRP A 106 8.509 5.096 -2.316 1.00 0.00 H new ATOM 0 HZ3 TRP A 106 4.374 4.197 -2.944 1.00 0.00 H new ATOM 0 HH2 TRP A 106 6.660 4.480 -3.812 1.00 0.00 H new ATOM 1618 N SER A 107 1.874 6.400 3.233 1.00 0.00 N ATOM 1619 CA SER A 107 0.776 6.304 4.189 1.00 0.00 C ATOM 1620 C SER A 107 0.577 4.861 4.644 1.00 0.00 C ATOM 1621 O SER A 107 1.168 3.936 4.087 1.00 0.00 O ATOM 1622 CB SER A 107 -0.516 6.838 3.568 1.00 0.00 C ATOM 1623 OG SER A 107 -1.637 6.529 4.379 1.00 0.00 O ATOM 0 H SER A 107 1.582 6.415 2.256 1.00 0.00 H new ATOM 0 HA SER A 107 1.030 6.909 5.059 1.00 0.00 H new ATOM 0 HB2 SER A 107 -0.442 7.918 3.440 1.00 0.00 H new ATOM 0 HB3 SER A 107 -0.651 6.408 2.576 1.00 0.00 H new ATOM 0 HG SER A 107 -2.282 7.266 4.340 1.00 0.00 H new ATOM 1629 N MET A 108 -0.260 4.678 5.660 1.00 0.00 N ATOM 1630 CA MET A 108 -0.539 3.349 6.189 1.00 0.00 C ATOM 1631 C MET A 108 -0.558 2.311 5.072 1.00 0.00 C ATOM 1632 O MET A 108 -1.229 2.490 4.055 1.00 0.00 O ATOM 1633 CB MET A 108 -1.878 3.342 6.930 1.00 0.00 C ATOM 1634 CG MET A 108 -3.032 3.885 6.104 1.00 0.00 C ATOM 1635 SD MET A 108 -4.613 3.138 6.544 1.00 0.00 S ATOM 1636 CE MET A 108 -4.580 1.657 5.538 1.00 0.00 C ATOM 0 H MET A 108 -0.756 5.433 6.133 1.00 0.00 H new ATOM 0 HA MET A 108 0.256 3.090 6.888 1.00 0.00 H new ATOM 0 HB2 MET A 108 -2.109 2.322 7.236 1.00 0.00 H new ATOM 0 HB3 MET A 108 -1.783 3.934 7.840 1.00 0.00 H new ATOM 0 HG2 MET A 108 -3.094 4.965 6.240 1.00 0.00 H new ATOM 0 HG3 MET A 108 -2.832 3.708 5.047 1.00 0.00 H new ATOM 0 HE1 MET A 108 -5.483 1.611 4.929 1.00 0.00 H new ATOM 0 HE2 MET A 108 -3.705 1.678 4.889 1.00 0.00 H new ATOM 0 HE3 MET A 108 -4.533 0.780 6.183 1.00 0.00 H new ATOM 1646 N THR A 109 0.184 1.225 5.266 1.00 0.00 N ATOM 1647 CA THR A 109 0.253 0.159 4.274 1.00 0.00 C ATOM 1648 C THR A 109 -0.951 -0.770 4.379 1.00 0.00 C ATOM 1649 O THR A 109 -1.373 -1.131 5.477 1.00 0.00 O ATOM 1650 CB THR A 109 1.542 -0.670 4.429 1.00 0.00 C ATOM 1651 OG1 THR A 109 2.664 0.073 3.939 1.00 0.00 O ATOM 1652 CG2 THR A 109 1.432 -1.987 3.676 1.00 0.00 C ATOM 0 H THR A 109 0.746 1.061 6.101 1.00 0.00 H new ATOM 0 HA THR A 109 0.253 0.639 3.295 1.00 0.00 H new ATOM 0 HB THR A 109 1.684 -0.886 5.488 1.00 0.00 H new ATOM 0 HG1 THR A 109 2.361 0.714 3.263 1.00 0.00 H new ATOM 0 HG21 THR A 109 2.354 -2.555 3.800 1.00 0.00 H new ATOM 0 HG22 THR A 109 0.595 -2.563 4.071 1.00 0.00 H new ATOM 0 HG23 THR A 109 1.268 -1.788 2.617 1.00 0.00 H new ATOM 1660 N ALA A 110 -1.499 -1.154 3.231 1.00 0.00 N ATOM 1661 CA ALA A 110 -2.653 -2.043 3.195 1.00 0.00 C ATOM 1662 C ALA A 110 -2.237 -3.468 2.844 1.00 0.00 C ATOM 1663 O ALA A 110 -1.272 -3.681 2.110 1.00 0.00 O ATOM 1664 CB ALA A 110 -3.683 -1.532 2.199 1.00 0.00 C ATOM 0 H ALA A 110 -1.162 -0.863 2.313 1.00 0.00 H new ATOM 0 HA ALA A 110 -3.101 -2.057 4.189 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -4.539 -2.206 2.183 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -4.011 -0.535 2.494 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -3.237 -1.488 1.205 1.00 0.00 H new ATOM 1670 N HIS A 111 -2.971 -4.441 3.374 1.00 0.00 N ATOM 1671 CA HIS A 111 -2.677 -5.847 3.117 1.00 0.00 C ATOM 1672 C HIS A 111 -3.703 -6.450 2.162 1.00 0.00 C ATOM 1673 O HIS A 111 -4.840 -5.985 2.082 1.00 0.00 O ATOM 1674 CB HIS A 111 -2.660 -6.634 4.428 1.00 0.00 C ATOM 1675 CG HIS A 111 -1.369 -6.517 5.179 1.00 0.00 C ATOM 1676 ND1 HIS A 111 -0.139 -6.462 4.558 1.00 0.00 N ATOM 1677 CD2 HIS A 111 -1.122 -6.443 6.508 1.00 0.00 C ATOM 1678 CE1 HIS A 111 0.809 -6.361 5.473 1.00 0.00 C ATOM 1679 NE2 HIS A 111 0.238 -6.347 6.664 1.00 0.00 N ATOM 0 H HIS A 111 -3.773 -4.282 3.984 1.00 0.00 H new ATOM 0 HA HIS A 111 -1.693 -5.908 2.652 1.00 0.00 H new ATOM 0 HB2 HIS A 111 -3.474 -6.284 5.063 1.00 0.00 H new ATOM 0 HB3 HIS A 111 -2.853 -7.685 4.214 1.00 0.00 H new ATOM 0 HD2 HIS A 111 -1.858 -6.457 7.298 1.00 0.00 H new ATOM 0 HE1 HIS A 111 1.870 -6.300 5.280 1.00 0.00 H new ATOM 0 HE2 HIS A 111 0.729 -6.276 7.555 1.00 0.00 H new ATOM 1688 N ALA A 112 -3.292 -7.486 1.438 1.00 0.00 N ATOM 1689 CA ALA A 112 -4.176 -8.152 0.489 1.00 0.00 C ATOM 1690 C ALA A 112 -3.507 -9.385 -0.111 1.00 0.00 C ATOM 1691 O ALA A 112 -2.532 -9.275 -0.855 1.00 0.00 O ATOM 1692 CB ALA A 112 -4.593 -7.188 -0.611 1.00 0.00 C ATOM 0 H ALA A 112 -2.353 -7.882 1.490 1.00 0.00 H new ATOM 0 HA ALA A 112 -5.066 -8.478 1.027 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -5.253 -7.699 -1.312 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -5.118 -6.340 -0.172 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -3.708 -6.833 -1.139 1.00 0.00 H new ATOM 1698 N THR A 113 -4.037 -10.559 0.218 1.00 0.00 N ATOM 1699 CA THR A 113 -3.491 -11.812 -0.287 1.00 0.00 C ATOM 1700 C THR A 113 -4.056 -12.144 -1.663 1.00 0.00 C ATOM 1701 O THR A 113 -5.178 -11.760 -1.994 1.00 0.00 O ATOM 1702 CB THR A 113 -3.786 -12.980 0.673 1.00 0.00 C ATOM 1703 OG1 THR A 113 -3.777 -12.516 2.027 1.00 0.00 O ATOM 1704 CG2 THR A 113 -2.759 -14.091 0.506 1.00 0.00 C ATOM 0 H THR A 113 -4.844 -10.668 0.832 1.00 0.00 H new ATOM 0 HA THR A 113 -2.412 -11.678 -0.364 1.00 0.00 H new ATOM 0 HB THR A 113 -4.772 -13.378 0.432 1.00 0.00 H new ATOM 0 HG1 THR A 113 -3.967 -13.264 2.631 1.00 0.00 H new ATOM 0 HG21 THR A 113 -2.988 -14.905 1.194 1.00 0.00 H new ATOM 0 HG22 THR A 113 -2.789 -14.463 -0.518 1.00 0.00 H new ATOM 0 HG23 THR A 113 -1.764 -13.702 0.722 1.00 0.00 H new ATOM 1712 N THR A 114 -3.273 -12.862 -2.462 1.00 0.00 N ATOM 1713 CA THR A 114 -3.696 -13.246 -3.803 1.00 0.00 C ATOM 1714 C THR A 114 -4.324 -14.635 -3.805 1.00 0.00 C ATOM 1715 O THR A 114 -4.026 -15.463 -2.943 1.00 0.00 O ATOM 1716 CB THR A 114 -2.515 -13.227 -4.791 1.00 0.00 C ATOM 1717 OG1 THR A 114 -1.400 -13.932 -4.235 1.00 0.00 O ATOM 1718 CG2 THR A 114 -2.106 -11.799 -5.119 1.00 0.00 C ATOM 0 H THR A 114 -2.342 -13.189 -2.204 1.00 0.00 H new ATOM 0 HA THR A 114 -4.439 -12.515 -4.122 1.00 0.00 H new ATOM 0 HB THR A 114 -2.832 -13.717 -5.711 1.00 0.00 H new ATOM 0 HG1 THR A 114 -0.968 -13.376 -3.553 1.00 0.00 H new ATOM 0 HG21 THR A 114 -1.270 -11.811 -5.818 1.00 0.00 H new ATOM 0 HG22 THR A 114 -2.948 -11.274 -5.569 1.00 0.00 H new ATOM 0 HG23 THR A 114 -1.806 -11.287 -4.205 1.00 0.00 H new ATOM 1726 N TYR A 115 -5.192 -14.885 -4.778 1.00 0.00 N ATOM 1727 CA TYR A 115 -5.863 -16.175 -4.891 1.00 0.00 C ATOM 1728 C TYR A 115 -4.915 -17.236 -5.439 1.00 0.00 C ATOM 1729 O TYR A 115 -4.066 -16.950 -6.283 1.00 0.00 O ATOM 1730 CB TYR A 115 -7.092 -16.057 -5.795 1.00 0.00 C ATOM 1731 CG TYR A 115 -7.979 -14.880 -5.460 1.00 0.00 C ATOM 1732 CD1 TYR A 115 -9.017 -15.005 -4.545 1.00 0.00 C ATOM 1733 CD2 TYR A 115 -7.780 -13.642 -6.059 1.00 0.00 C ATOM 1734 CE1 TYR A 115 -9.831 -13.932 -4.237 1.00 0.00 C ATOM 1735 CE2 TYR A 115 -8.588 -12.563 -5.756 1.00 0.00 C ATOM 1736 CZ TYR A 115 -9.612 -12.713 -4.844 1.00 0.00 C ATOM 1737 OH TYR A 115 -10.420 -11.642 -4.539 1.00 0.00 O ATOM 0 H TYR A 115 -5.448 -14.212 -5.500 1.00 0.00 H new ATOM 0 HA TYR A 115 -6.181 -16.479 -3.894 1.00 0.00 H new ATOM 0 HB2 TYR A 115 -6.764 -15.971 -6.831 1.00 0.00 H new ATOM 0 HB3 TYR A 115 -7.676 -16.974 -5.721 1.00 0.00 H new ATOM 0 HD1 TYR A 115 -9.191 -15.957 -4.066 1.00 0.00 H new ATOM 0 HD2 TYR A 115 -6.980 -13.521 -6.774 1.00 0.00 H new ATOM 0 HE1 TYR A 115 -10.635 -14.047 -3.525 1.00 0.00 H new ATOM 0 HE2 TYR A 115 -8.419 -11.608 -6.230 1.00 0.00 H new ATOM 0 HH TYR A 115 -10.061 -10.832 -4.957 1.00 0.00 H new ATOM 1747 N GLU A 116 -5.066 -18.464 -4.952 1.00 0.00 N ATOM 1748 CA GLU A 116 -4.223 -19.569 -5.392 1.00 0.00 C ATOM 1749 C GLU A 116 -4.329 -19.767 -6.902 1.00 0.00 C ATOM 1750 O GLU A 116 -5.424 -19.762 -7.463 1.00 0.00 O ATOM 1751 CB GLU A 116 -4.616 -20.859 -4.669 1.00 0.00 C ATOM 1752 CG GLU A 116 -3.473 -21.850 -4.529 1.00 0.00 C ATOM 1753 CD GLU A 116 -3.917 -23.172 -3.933 1.00 0.00 C ATOM 1754 OE1 GLU A 116 -4.844 -23.163 -3.096 1.00 0.00 O ATOM 1755 OE2 GLU A 116 -3.338 -24.215 -4.303 1.00 0.00 O ATOM 0 H GLU A 116 -5.764 -18.718 -4.253 1.00 0.00 H new ATOM 0 HA GLU A 116 -3.190 -19.324 -5.147 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -4.993 -20.609 -3.677 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -5.434 -21.334 -5.210 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -3.029 -22.028 -5.509 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -2.695 -21.416 -3.901 1.00 0.00 H new ATOM 1762 N ALA A 117 -3.183 -19.940 -7.552 1.00 0.00 N ATOM 1763 CA ALA A 117 -3.147 -20.140 -8.995 1.00 0.00 C ATOM 1764 C ALA A 117 -3.566 -21.560 -9.363 1.00 0.00 C ATOM 1765 O ALA A 117 -2.882 -22.240 -10.128 1.00 0.00 O ATOM 1766 CB ALA A 117 -1.756 -19.842 -9.535 1.00 0.00 C ATOM 0 H ALA A 117 -2.268 -19.946 -7.102 1.00 0.00 H new ATOM 0 HA ALA A 117 -3.857 -19.450 -9.450 1.00 0.00 H new ATOM 0 HB1 ALA A 117 -1.744 -19.996 -10.614 1.00 0.00 H new ATOM 0 HB2 ALA A 117 -1.493 -18.808 -9.313 1.00 0.00 H new ATOM 0 HB3 ALA A 117 -1.033 -20.509 -9.066 1.00 0.00 H new