USER MOD reduce.3.24.130724 H: found=0, std=0, add=677, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 679 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 40 THR OG1 : rot 88:sc= 1.28 USER MOD Set 1.2: A 51 TYR OH : rot -118:sc= 0.858 USER MOD Set 1.3: A 71 HIS : no HD1:sc= 0.204 K(o=2.3,f=0.26) USER MOD Set 2.1: A 55 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 64 GLN : amide:sc= -0.439 X(o=-0.44,f=0) USER MOD Set 3.1: A 54 TYR OH : rot 180:sc= -0.056 USER MOD Set 3.2: A 91 TYR OH : rot 28:sc= 0.02 USER MOD Single : A 23 ASN : amide:sc= -1.29 K(o=-1.3,f=-4.2!) USER MOD Single : A 27 TYR OH : rot 180:sc=-0.000243 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= -0.134 USER MOD Single : A 35 THR OG1 : rot 180:sc= -0.0164 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= -0.109 K(o=-0.11,f=-2.5!) USER MOD Single : A 50 ASN : amide:sc= -0.674 X(o=-0.67,f=-0.68) USER MOD Single : A 52 LYS NZ :NH3+ 163:sc= 0 (180deg=-0.0855) USER MOD Single : A 56 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 THR OG1 : rot 89:sc= 0.373 USER MOD Single : A 62 LYS NZ :NH3+ 131:sc= -0.0141 (180deg=-0.181) USER MOD Single : A 69 SER OG : rot 180:sc= -0.0146 USER MOD Single : A 70 SER OG : rot 110:sc= 0.917 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 ASN : amide:sc= -3.38! X(o=-3.4!,f=-2.9) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ -119:sc= 0 (180deg=-0.44) USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 TYR OH : rot 50:sc= 0.51 USER MOD Single : A 85 SER OG : rot 180:sc= -0.802 USER MOD Single : A 92 ASN : amide:sc= -2.73! C(o=-2.7!,f=-14!) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 HIS : no HD1:sc= -2.73! C(o=-2.7!,f=-3!) USER MOD Single : A 99 SER OG : rot -110:sc= -1.11 USER MOD Single : A 100 THR OG1 : rot -91:sc= 1.77 USER MOD Single : A 107 THR OG1 : rot 169:sc= 0.695 USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 214 N LEU A 17 14.800 0.875 -11.491 1.00 0.00 N ATOM 215 CA LEU A 17 13.429 1.033 -11.020 1.00 0.00 C ATOM 216 C LEU A 17 13.304 2.249 -10.106 1.00 0.00 C ATOM 217 O LEU A 17 14.289 2.754 -9.568 1.00 0.00 O ATOM 218 CB LEU A 17 12.975 -0.225 -10.278 1.00 0.00 C ATOM 219 CG LEU A 17 12.331 -1.315 -11.136 1.00 0.00 C ATOM 220 CD1 LEU A 17 11.025 -0.819 -11.737 1.00 0.00 C ATOM 221 CD2 LEU A 17 13.287 -1.766 -12.231 1.00 0.00 C ATOM 0 HA LEU A 17 12.788 1.186 -11.888 1.00 0.00 H new ATOM 0 HB2 LEU A 17 13.838 -0.654 -9.769 1.00 0.00 H new ATOM 0 HB3 LEU A 17 12.264 0.069 -9.506 1.00 0.00 H new ATOM 0 HG LEU A 17 12.111 -2.171 -10.498 1.00 0.00 H new ATOM 0 HD11 LEU A 17 10.581 -1.608 -12.344 1.00 0.00 H new ATOM 0 HD12 LEU A 17 10.337 -0.546 -10.937 1.00 0.00 H new ATOM 0 HD13 LEU A 17 11.220 0.053 -12.361 1.00 0.00 H new ATOM 0 HD21 LEU A 17 12.812 -2.542 -12.832 1.00 0.00 H new ATOM 0 HD22 LEU A 17 13.538 -0.917 -12.867 1.00 0.00 H new ATOM 0 HD23 LEU A 17 14.196 -2.162 -11.779 1.00 0.00 H new ATOM 233 N PRO A 18 12.065 2.728 -9.926 1.00 0.00 N ATOM 234 CA PRO A 18 11.781 3.888 -9.075 1.00 0.00 C ATOM 235 C PRO A 18 11.986 3.586 -7.595 1.00 0.00 C ATOM 236 O PRO A 18 12.182 2.434 -7.208 1.00 0.00 O ATOM 237 CB PRO A 18 10.307 4.186 -9.361 1.00 0.00 C ATOM 238 CG PRO A 18 9.737 2.884 -9.807 1.00 0.00 C ATOM 239 CD PRO A 18 10.845 2.175 -10.537 1.00 0.00 C ATOM 0 HA PRO A 18 12.448 4.723 -9.289 1.00 0.00 H new ATOM 0 HB2 PRO A 18 9.798 4.557 -8.471 1.00 0.00 H new ATOM 0 HB3 PRO A 18 10.200 4.950 -10.131 1.00 0.00 H new ATOM 0 HG2 PRO A 18 9.392 2.297 -8.956 1.00 0.00 H new ATOM 0 HG3 PRO A 18 8.876 3.037 -10.458 1.00 0.00 H new ATOM 0 HD2 PRO A 18 10.785 1.094 -10.407 1.00 0.00 H new ATOM 0 HD3 PRO A 18 10.809 2.370 -11.609 1.00 0.00 H new ATOM 247 N GLY A 19 11.939 4.628 -6.770 1.00 0.00 N ATOM 248 CA GLY A 19 12.121 4.452 -5.341 1.00 0.00 C ATOM 249 C GLY A 19 10.806 4.286 -4.605 1.00 0.00 C ATOM 250 O GLY A 19 9.727 4.472 -5.169 1.00 0.00 O ATOM 0 H GLY A 19 11.778 5.591 -7.066 1.00 0.00 H new ATOM 0 HA2 GLY A 19 12.747 3.577 -5.163 1.00 0.00 H new ATOM 0 HA3 GLY A 19 12.654 5.313 -4.937 1.00 0.00 H new ATOM 254 N PRO A 20 10.886 3.926 -3.316 1.00 0.00 N ATOM 255 CA PRO A 20 9.702 3.726 -2.475 1.00 0.00 C ATOM 256 C PRO A 20 8.982 5.035 -2.166 1.00 0.00 C ATOM 257 O PRO A 20 9.581 5.975 -1.645 1.00 0.00 O ATOM 258 CB PRO A 20 10.276 3.117 -1.193 1.00 0.00 C ATOM 259 CG PRO A 20 11.688 3.591 -1.148 1.00 0.00 C ATOM 260 CD PRO A 20 12.138 3.687 -2.579 1.00 0.00 C ATOM 0 HA PRO A 20 8.956 3.100 -2.964 1.00 0.00 H new ATOM 0 HB2 PRO A 20 9.720 3.446 -0.315 1.00 0.00 H new ATOM 0 HB3 PRO A 20 10.224 2.028 -1.214 1.00 0.00 H new ATOM 0 HG2 PRO A 20 11.759 4.558 -0.651 1.00 0.00 H new ATOM 0 HG3 PRO A 20 12.315 2.897 -0.587 1.00 0.00 H new ATOM 0 HD2 PRO A 20 12.850 4.500 -2.722 1.00 0.00 H new ATOM 0 HD3 PRO A 20 12.629 2.771 -2.908 1.00 0.00 H new ATOM 268 N ALA A 21 7.695 5.088 -2.492 1.00 0.00 N ATOM 269 CA ALA A 21 6.894 6.280 -2.247 1.00 0.00 C ATOM 270 C ALA A 21 7.040 6.754 -0.805 1.00 0.00 C ATOM 271 O ALA A 21 6.568 6.115 0.135 1.00 0.00 O ATOM 272 CB ALA A 21 5.431 6.009 -2.569 1.00 0.00 C ATOM 0 H ALA A 21 7.185 4.319 -2.927 1.00 0.00 H new ATOM 0 HA ALA A 21 7.259 7.072 -2.901 1.00 0.00 H new ATOM 0 HB1 ALA A 21 4.844 6.908 -2.381 1.00 0.00 H new ATOM 0 HB2 ALA A 21 5.336 5.726 -3.617 1.00 0.00 H new ATOM 0 HB3 ALA A 21 5.064 5.198 -1.939 1.00 0.00 H new ATOM 278 N PRO A 22 7.712 7.901 -0.624 1.00 0.00 N ATOM 279 CA PRO A 22 7.937 8.485 0.702 1.00 0.00 C ATOM 280 C PRO A 22 6.653 9.025 1.323 1.00 0.00 C ATOM 281 O PRO A 22 5.576 8.915 0.738 1.00 0.00 O ATOM 282 CB PRO A 22 8.917 9.628 0.424 1.00 0.00 C ATOM 283 CG PRO A 22 8.679 9.993 -1.001 1.00 0.00 C ATOM 284 CD PRO A 22 8.302 8.716 -1.699 1.00 0.00 C ATOM 0 HA PRO A 22 8.310 7.748 1.414 1.00 0.00 H new ATOM 0 HB2 PRO A 22 8.735 10.475 1.085 1.00 0.00 H new ATOM 0 HB3 PRO A 22 9.948 9.313 0.585 1.00 0.00 H new ATOM 0 HG2 PRO A 22 7.884 10.734 -1.086 1.00 0.00 H new ATOM 0 HG3 PRO A 22 9.572 10.432 -1.446 1.00 0.00 H new ATOM 0 HD2 PRO A 22 7.590 8.894 -2.505 1.00 0.00 H new ATOM 0 HD3 PRO A 22 9.171 8.229 -2.142 1.00 0.00 H new ATOM 292 N ASN A 23 6.775 9.607 2.511 1.00 0.00 N ATOM 293 CA ASN A 23 5.623 10.164 3.211 1.00 0.00 C ATOM 294 C ASN A 23 4.407 9.253 3.068 1.00 0.00 C ATOM 295 O ASN A 23 3.307 9.713 2.759 1.00 0.00 O ATOM 296 CB ASN A 23 5.297 11.558 2.672 1.00 0.00 C ATOM 297 CG ASN A 23 6.486 12.496 2.737 1.00 0.00 C ATOM 298 OD1 ASN A 23 6.906 13.055 1.724 1.00 0.00 O ATOM 299 ND2 ASN A 23 7.036 12.672 3.933 1.00 0.00 N ATOM 0 H ASN A 23 7.660 9.705 3.009 1.00 0.00 H new ATOM 0 HA ASN A 23 5.874 10.241 4.269 1.00 0.00 H new ATOM 0 HB2 ASN A 23 4.959 11.475 1.639 1.00 0.00 H new ATOM 0 HB3 ASN A 23 4.472 11.982 3.244 1.00 0.00 H new ATOM 0 HD21 ASN A 23 7.840 13.291 4.039 1.00 0.00 H new ATOM 0 HD22 ASN A 23 6.655 12.188 4.746 1.00 0.00 H new ATOM 306 N LEU A 24 4.613 7.961 3.295 1.00 0.00 N ATOM 307 CA LEU A 24 3.534 6.985 3.192 1.00 0.00 C ATOM 308 C LEU A 24 2.734 6.919 4.489 1.00 0.00 C ATOM 309 O LEU A 24 3.188 6.351 5.483 1.00 0.00 O ATOM 310 CB LEU A 24 4.099 5.603 2.858 1.00 0.00 C ATOM 311 CG LEU A 24 3.092 4.453 2.837 1.00 0.00 C ATOM 312 CD1 LEU A 24 2.065 4.663 1.736 1.00 0.00 C ATOM 313 CD2 LEU A 24 3.807 3.122 2.656 1.00 0.00 C ATOM 0 H LEU A 24 5.517 7.565 3.552 1.00 0.00 H new ATOM 0 HA LEU A 24 2.867 7.302 2.390 1.00 0.00 H new ATOM 0 HB2 LEU A 24 4.580 5.656 1.881 1.00 0.00 H new ATOM 0 HB3 LEU A 24 4.876 5.365 3.584 1.00 0.00 H new ATOM 0 HG LEU A 24 2.570 4.435 3.793 1.00 0.00 H new ATOM 0 HD11 LEU A 24 1.357 3.835 1.736 1.00 0.00 H new ATOM 0 HD12 LEU A 24 1.531 5.597 1.910 1.00 0.00 H new ATOM 0 HD13 LEU A 24 2.570 4.708 0.771 1.00 0.00 H new ATOM 0 HD21 LEU A 24 3.075 2.315 2.643 1.00 0.00 H new ATOM 0 HD22 LEU A 24 4.356 3.129 1.714 1.00 0.00 H new ATOM 0 HD23 LEU A 24 4.503 2.968 3.481 1.00 0.00 H new ATOM 325 N ARG A 25 1.539 7.501 4.472 1.00 0.00 N ATOM 326 CA ARG A 25 0.675 7.508 5.646 1.00 0.00 C ATOM 327 C ARG A 25 -0.584 6.682 5.399 1.00 0.00 C ATOM 328 O ARG A 25 -0.855 6.266 4.273 1.00 0.00 O ATOM 329 CB ARG A 25 0.292 8.942 6.016 1.00 0.00 C ATOM 330 CG ARG A 25 1.462 9.912 5.981 1.00 0.00 C ATOM 331 CD ARG A 25 2.331 9.782 7.222 1.00 0.00 C ATOM 332 NE ARG A 25 1.628 10.205 8.430 1.00 0.00 N ATOM 333 CZ ARG A 25 1.561 11.468 8.837 1.00 0.00 C ATOM 334 NH1 ARG A 25 2.151 12.426 8.135 1.00 0.00 N ATOM 335 NH2 ARG A 25 0.902 11.775 9.947 1.00 0.00 N ATOM 0 H ARG A 25 1.147 7.974 3.658 1.00 0.00 H new ATOM 0 HA ARG A 25 1.226 7.061 6.474 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -0.480 9.292 5.330 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -0.143 8.947 7.015 1.00 0.00 H new ATOM 0 HG2 ARG A 25 2.065 9.725 5.092 1.00 0.00 H new ATOM 0 HG3 ARG A 25 1.088 10.933 5.903 1.00 0.00 H new ATOM 0 HD2 ARG A 25 2.651 8.746 7.333 1.00 0.00 H new ATOM 0 HD3 ARG A 25 3.232 10.383 7.098 1.00 0.00 H new ATOM 0 HE ARG A 25 1.163 9.492 8.992 1.00 0.00 H new ATOM 0 HH11 ARG A 25 2.658 12.194 7.281 1.00 0.00 H new ATOM 0 HH12 ARG A 25 2.098 13.395 8.449 1.00 0.00 H new ATOM 0 HH21 ARG A 25 0.446 11.041 10.489 1.00 0.00 H new ATOM 0 HH22 ARG A 25 0.851 12.745 10.258 1.00 0.00 H new ATOM 349 N ALA A 26 -1.349 6.447 6.460 1.00 0.00 N ATOM 350 CA ALA A 26 -2.580 5.673 6.358 1.00 0.00 C ATOM 351 C ALA A 26 -3.450 5.859 7.597 1.00 0.00 C ATOM 352 O ALA A 26 -2.990 5.670 8.724 1.00 0.00 O ATOM 353 CB ALA A 26 -2.261 4.200 6.151 1.00 0.00 C ATOM 0 H ALA A 26 -1.138 6.782 7.400 1.00 0.00 H new ATOM 0 HA ALA A 26 -3.139 6.037 5.496 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -3.189 3.634 6.077 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -1.687 4.078 5.233 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -1.678 3.832 6.995 1.00 0.00 H new ATOM 359 N TYR A 27 -4.707 6.230 7.381 1.00 0.00 N ATOM 360 CA TYR A 27 -5.640 6.444 8.481 1.00 0.00 C ATOM 361 C TYR A 27 -7.048 6.002 8.095 1.00 0.00 C ATOM 362 O TYR A 27 -7.460 6.140 6.943 1.00 0.00 O ATOM 363 CB TYR A 27 -5.650 7.919 8.888 1.00 0.00 C ATOM 364 CG TYR A 27 -5.803 8.868 7.721 1.00 0.00 C ATOM 365 CD1 TYR A 27 -4.704 9.249 6.961 1.00 0.00 C ATOM 366 CD2 TYR A 27 -7.047 9.384 7.378 1.00 0.00 C ATOM 367 CE1 TYR A 27 -4.839 10.117 5.895 1.00 0.00 C ATOM 368 CE2 TYR A 27 -7.191 10.251 6.312 1.00 0.00 C ATOM 369 CZ TYR A 27 -6.084 10.615 5.574 1.00 0.00 C ATOM 370 OH TYR A 27 -6.223 11.478 4.512 1.00 0.00 O ATOM 0 H TYR A 27 -5.103 6.389 6.455 1.00 0.00 H new ATOM 0 HA TYR A 27 -5.309 5.842 9.327 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -6.465 8.088 9.592 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -4.723 8.149 9.413 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -3.727 8.860 7.208 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -7.916 9.102 7.954 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -3.974 10.404 5.316 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -8.165 10.642 6.058 1.00 0.00 H new ATOM 0 HH TYR A 27 -7.164 11.734 4.420 1.00 0.00 H new ATOM 380 N ALA A 28 -7.781 5.469 9.067 1.00 0.00 N ATOM 381 CA ALA A 28 -9.143 5.008 8.831 1.00 0.00 C ATOM 382 C ALA A 28 -10.142 6.152 8.973 1.00 0.00 C ATOM 383 O ALA A 28 -10.442 6.592 10.083 1.00 0.00 O ATOM 384 CB ALA A 28 -9.492 3.879 9.789 1.00 0.00 C ATOM 0 H ALA A 28 -7.454 5.346 10.025 1.00 0.00 H new ATOM 0 HA ALA A 28 -9.201 4.634 7.809 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -10.512 3.545 9.601 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -8.804 3.047 9.637 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -9.410 4.235 10.816 1.00 0.00 H new ATOM 390 N ALA A 29 -10.654 6.629 7.843 1.00 0.00 N ATOM 391 CA ALA A 29 -11.620 7.720 7.842 1.00 0.00 C ATOM 392 C ALA A 29 -12.958 7.269 8.418 1.00 0.00 C ATOM 393 O ALA A 29 -13.577 7.983 9.207 1.00 0.00 O ATOM 394 CB ALA A 29 -11.804 8.260 6.432 1.00 0.00 C ATOM 0 H ALA A 29 -10.415 6.276 6.916 1.00 0.00 H new ATOM 0 HA ALA A 29 -11.232 8.517 8.476 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -12.528 9.074 6.446 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -10.850 8.629 6.056 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -12.166 7.464 5.782 1.00 0.00 H new ATOM 400 N SER A 30 -13.399 6.081 8.017 1.00 0.00 N ATOM 401 CA SER A 30 -14.667 5.537 8.489 1.00 0.00 C ATOM 402 C SER A 30 -14.498 4.096 8.960 1.00 0.00 C ATOM 403 O SER A 30 -13.526 3.417 8.628 1.00 0.00 O ATOM 404 CB SER A 30 -15.719 5.604 7.381 1.00 0.00 C ATOM 405 OG SER A 30 -16.440 6.823 7.434 1.00 0.00 O ATOM 0 H SER A 30 -12.897 5.477 7.366 1.00 0.00 H new ATOM 0 HA SER A 30 -15.001 6.140 9.333 1.00 0.00 H new ATOM 0 HB2 SER A 30 -15.235 5.506 6.409 1.00 0.00 H new ATOM 0 HB3 SER A 30 -16.409 4.766 7.479 1.00 0.00 H new ATOM 0 HG SER A 30 -17.105 6.841 6.714 1.00 0.00 H new ATOM 411 N PRO A 31 -15.467 3.616 9.753 1.00 0.00 N ATOM 412 CA PRO A 31 -15.450 2.251 10.287 1.00 0.00 C ATOM 413 C PRO A 31 -15.681 1.202 9.205 1.00 0.00 C ATOM 414 O PRO A 31 -15.703 0.002 9.482 1.00 0.00 O ATOM 415 CB PRO A 31 -16.605 2.248 11.291 1.00 0.00 C ATOM 416 CG PRO A 31 -17.528 3.313 10.809 1.00 0.00 C ATOM 417 CD PRO A 31 -16.655 4.369 10.190 1.00 0.00 C ATOM 0 HA PRO A 31 -14.485 1.997 10.726 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -17.101 1.278 11.321 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -16.252 2.457 12.301 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -18.236 2.916 10.081 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -18.113 3.724 11.632 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -17.150 4.860 9.352 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -16.396 5.148 10.907 1.00 0.00 H new ATOM 425 N THR A 32 -15.854 1.661 7.969 1.00 0.00 N ATOM 426 CA THR A 32 -16.084 0.763 6.845 1.00 0.00 C ATOM 427 C THR A 32 -15.187 1.118 5.665 1.00 0.00 C ATOM 428 O THR A 32 -15.283 0.514 4.596 1.00 0.00 O ATOM 429 CB THR A 32 -17.555 0.801 6.388 1.00 0.00 C ATOM 430 OG1 THR A 32 -17.993 2.159 6.263 1.00 0.00 O ATOM 431 CG2 THR A 32 -18.448 0.063 7.374 1.00 0.00 C ATOM 0 H THR A 32 -15.839 2.650 7.722 1.00 0.00 H new ATOM 0 HA THR A 32 -15.844 -0.243 7.190 1.00 0.00 H new ATOM 0 HB THR A 32 -17.625 0.306 5.419 1.00 0.00 H new ATOM 0 HG1 THR A 32 -18.928 2.175 5.971 1.00 0.00 H new ATOM 0 HG21 THR A 32 -19.481 0.104 7.030 1.00 0.00 H new ATOM 0 HG22 THR A 32 -18.130 -0.977 7.445 1.00 0.00 H new ATOM 0 HG23 THR A 32 -18.373 0.533 8.355 1.00 0.00 H new ATOM 439 N SER A 33 -14.316 2.101 5.864 1.00 0.00 N ATOM 440 CA SER A 33 -13.403 2.539 4.815 1.00 0.00 C ATOM 441 C SER A 33 -12.048 2.926 5.399 1.00 0.00 C ATOM 442 O SER A 33 -11.860 2.918 6.616 1.00 0.00 O ATOM 443 CB SER A 33 -14.000 3.723 4.052 1.00 0.00 C ATOM 444 OG SER A 33 -13.624 4.954 4.645 1.00 0.00 O ATOM 0 H SER A 33 -14.223 2.610 6.743 1.00 0.00 H new ATOM 0 HA SER A 33 -13.257 1.708 4.125 1.00 0.00 H new ATOM 0 HB2 SER A 33 -13.665 3.698 3.015 1.00 0.00 H new ATOM 0 HB3 SER A 33 -15.087 3.640 4.038 1.00 0.00 H new ATOM 0 HG SER A 33 -14.017 5.695 4.138 1.00 0.00 H new ATOM 450 N ILE A 34 -11.108 3.266 4.524 1.00 0.00 N ATOM 451 CA ILE A 34 -9.771 3.658 4.952 1.00 0.00 C ATOM 452 C ILE A 34 -9.113 4.577 3.929 1.00 0.00 C ATOM 453 O ILE A 34 -9.154 4.316 2.726 1.00 0.00 O ATOM 454 CB ILE A 34 -8.869 2.430 5.177 1.00 0.00 C ATOM 455 CG1 ILE A 34 -9.440 1.548 6.290 1.00 0.00 C ATOM 456 CG2 ILE A 34 -7.452 2.868 5.515 1.00 0.00 C ATOM 457 CD1 ILE A 34 -8.652 0.277 6.517 1.00 0.00 C ATOM 0 H ILE A 34 -11.248 3.278 3.514 1.00 0.00 H new ATOM 0 HA ILE A 34 -9.886 4.192 5.895 1.00 0.00 H new ATOM 0 HB ILE A 34 -8.838 1.847 4.257 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -9.467 2.120 7.218 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -10.470 1.289 6.045 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -6.827 1.989 5.671 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -7.048 3.459 4.693 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -7.464 3.470 6.423 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -9.113 -0.299 7.319 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -8.646 -0.316 5.602 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -7.628 0.528 6.793 1.00 0.00 H new ATOM 469 N THR A 35 -8.505 5.655 4.415 1.00 0.00 N ATOM 470 CA THR A 35 -7.837 6.613 3.543 1.00 0.00 C ATOM 471 C THR A 35 -6.322 6.475 3.632 1.00 0.00 C ATOM 472 O THR A 35 -5.747 6.523 4.719 1.00 0.00 O ATOM 473 CB THR A 35 -8.230 8.061 3.894 1.00 0.00 C ATOM 474 OG1 THR A 35 -9.655 8.200 3.873 1.00 0.00 O ATOM 475 CG2 THR A 35 -7.605 9.044 2.916 1.00 0.00 C ATOM 0 H THR A 35 -8.462 5.886 5.408 1.00 0.00 H new ATOM 0 HA THR A 35 -8.160 6.392 2.526 1.00 0.00 H new ATOM 0 HB THR A 35 -7.858 8.283 4.894 1.00 0.00 H new ATOM 0 HG1 THR A 35 -9.897 9.122 4.099 1.00 0.00 H new ATOM 0 HG21 THR A 35 -7.897 10.059 3.184 1.00 0.00 H new ATOM 0 HG22 THR A 35 -6.519 8.956 2.956 1.00 0.00 H new ATOM 0 HG23 THR A 35 -7.950 8.822 1.906 1.00 0.00 H new ATOM 483 N VAL A 36 -5.679 6.303 2.481 1.00 0.00 N ATOM 484 CA VAL A 36 -4.229 6.158 2.429 1.00 0.00 C ATOM 485 C VAL A 36 -3.602 7.228 1.542 1.00 0.00 C ATOM 486 O VAL A 36 -3.983 7.391 0.382 1.00 0.00 O ATOM 487 CB VAL A 36 -3.822 4.769 1.904 1.00 0.00 C ATOM 488 CG1 VAL A 36 -2.310 4.606 1.943 1.00 0.00 C ATOM 489 CG2 VAL A 36 -4.505 3.674 2.710 1.00 0.00 C ATOM 0 H VAL A 36 -6.140 6.261 1.572 1.00 0.00 H new ATOM 0 HA VAL A 36 -3.862 6.274 3.449 1.00 0.00 H new ATOM 0 HB VAL A 36 -4.147 4.682 0.867 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -2.041 3.618 1.568 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -1.846 5.370 1.319 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -1.959 4.713 2.969 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -4.206 2.699 2.325 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -4.212 3.756 3.757 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -5.586 3.781 2.626 1.00 0.00 H new ATOM 499 N THR A 37 -2.637 7.957 2.095 1.00 0.00 N ATOM 500 CA THR A 37 -1.957 9.012 1.355 1.00 0.00 C ATOM 501 C THR A 37 -0.458 8.746 1.270 1.00 0.00 C ATOM 502 O THR A 37 0.174 8.386 2.263 1.00 0.00 O ATOM 503 CB THR A 37 -2.186 10.390 2.003 1.00 0.00 C ATOM 504 OG1 THR A 37 -1.643 10.405 3.327 1.00 0.00 O ATOM 505 CG2 THR A 37 -3.670 10.724 2.054 1.00 0.00 C ATOM 0 H THR A 37 -2.309 7.835 3.053 1.00 0.00 H new ATOM 0 HA THR A 37 -2.380 9.016 0.350 1.00 0.00 H new ATOM 0 HB THR A 37 -1.681 11.141 1.395 1.00 0.00 H new ATOM 0 HG1 THR A 37 -1.791 11.285 3.731 1.00 0.00 H new ATOM 0 HG21 THR A 37 -3.807 11.702 2.516 1.00 0.00 H new ATOM 0 HG22 THR A 37 -4.074 10.741 1.042 1.00 0.00 H new ATOM 0 HG23 THR A 37 -4.193 9.969 2.641 1.00 0.00 H new ATOM 513 N TRP A 38 0.103 8.925 0.080 1.00 0.00 N ATOM 514 CA TRP A 38 1.529 8.705 -0.133 1.00 0.00 C ATOM 515 C TRP A 38 2.125 9.803 -1.006 1.00 0.00 C ATOM 516 O TRP A 38 1.398 10.594 -1.606 1.00 0.00 O ATOM 517 CB TRP A 38 1.764 7.338 -0.779 1.00 0.00 C ATOM 518 CG TRP A 38 1.072 7.178 -2.098 1.00 0.00 C ATOM 519 CD1 TRP A 38 1.572 7.493 -3.330 1.00 0.00 C ATOM 520 CD2 TRP A 38 -0.247 6.666 -2.317 1.00 0.00 C ATOM 521 NE1 TRP A 38 0.643 7.208 -4.301 1.00 0.00 N ATOM 522 CE2 TRP A 38 -0.481 6.699 -3.706 1.00 0.00 C ATOM 523 CE3 TRP A 38 -1.252 6.182 -1.476 1.00 0.00 C ATOM 524 CZ2 TRP A 38 -1.679 6.266 -4.269 1.00 0.00 C ATOM 525 CZ3 TRP A 38 -2.441 5.754 -2.037 1.00 0.00 C ATOM 526 CH2 TRP A 38 -2.646 5.797 -3.422 1.00 0.00 C ATOM 0 H TRP A 38 -0.407 9.222 -0.752 1.00 0.00 H new ATOM 0 HA TRP A 38 2.024 8.730 0.838 1.00 0.00 H new ATOM 0 HB2 TRP A 38 2.835 7.189 -0.918 1.00 0.00 H new ATOM 0 HB3 TRP A 38 1.420 6.559 -0.099 1.00 0.00 H new ATOM 0 HD1 TRP A 38 2.553 7.905 -3.513 1.00 0.00 H new ATOM 0 HE1 TRP A 38 0.770 7.352 -5.303 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -1.103 6.143 -0.407 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -1.839 6.299 -5.337 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -3.226 5.380 -1.396 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -3.585 5.453 -3.829 1.00 0.00 H new ATOM 537 N GLU A 39 3.452 9.846 -1.073 1.00 0.00 N ATOM 538 CA GLU A 39 4.145 10.849 -1.873 1.00 0.00 C ATOM 539 C GLU A 39 4.911 10.196 -3.020 1.00 0.00 C ATOM 540 O GLU A 39 5.130 8.984 -3.025 1.00 0.00 O ATOM 541 CB GLU A 39 5.105 11.658 -0.999 1.00 0.00 C ATOM 542 CG GLU A 39 4.449 12.842 -0.309 1.00 0.00 C ATOM 543 CD GLU A 39 4.197 14.001 -1.254 1.00 0.00 C ATOM 544 OE1 GLU A 39 3.671 13.760 -2.361 1.00 0.00 O ATOM 545 OE2 GLU A 39 4.525 15.149 -0.887 1.00 0.00 O ATOM 0 H GLU A 39 4.069 9.198 -0.583 1.00 0.00 H new ATOM 0 HA GLU A 39 3.397 11.520 -2.294 1.00 0.00 H new ATOM 0 HB2 GLU A 39 5.536 11.001 -0.243 1.00 0.00 H new ATOM 0 HB3 GLU A 39 5.928 12.018 -1.616 1.00 0.00 H new ATOM 0 HG2 GLU A 39 3.503 12.524 0.130 1.00 0.00 H new ATOM 0 HG3 GLU A 39 5.084 13.178 0.511 1.00 0.00 H new ATOM 552 N THR A 40 5.317 11.008 -3.991 1.00 0.00 N ATOM 553 CA THR A 40 6.057 10.511 -5.144 1.00 0.00 C ATOM 554 C THR A 40 7.555 10.481 -4.864 1.00 0.00 C ATOM 555 O THR A 40 8.122 11.410 -4.289 1.00 0.00 O ATOM 556 CB THR A 40 5.796 11.372 -6.394 1.00 0.00 C ATOM 557 OG1 THR A 40 4.407 11.326 -6.740 1.00 0.00 O ATOM 558 CG2 THR A 40 6.633 10.889 -7.569 1.00 0.00 C ATOM 0 H THR A 40 5.146 12.013 -4.002 1.00 0.00 H new ATOM 0 HA THR A 40 5.705 9.497 -5.332 1.00 0.00 H new ATOM 0 HB THR A 40 6.079 12.399 -6.165 1.00 0.00 H new ATOM 0 HG1 THR A 40 3.927 12.032 -6.259 1.00 0.00 H new ATOM 0 HG21 THR A 40 6.431 11.513 -8.440 1.00 0.00 H new ATOM 0 HG22 THR A 40 7.691 10.954 -7.313 1.00 0.00 H new ATOM 0 HG23 THR A 40 6.378 9.854 -7.797 1.00 0.00 H new ATOM 566 N PRO A 41 8.214 9.390 -5.281 1.00 0.00 N ATOM 567 CA PRO A 41 9.657 9.214 -5.087 1.00 0.00 C ATOM 568 C PRO A 41 10.478 10.162 -5.955 1.00 0.00 C ATOM 569 O PRO A 41 10.490 10.044 -7.180 1.00 0.00 O ATOM 570 CB PRO A 41 9.897 7.762 -5.506 1.00 0.00 C ATOM 571 CG PRO A 41 8.788 7.453 -6.452 1.00 0.00 C ATOM 572 CD PRO A 41 7.603 8.244 -5.974 1.00 0.00 C ATOM 0 HA PRO A 41 9.960 9.432 -4.063 1.00 0.00 H new ATOM 0 HB2 PRO A 41 10.870 7.643 -5.984 1.00 0.00 H new ATOM 0 HB3 PRO A 41 9.881 7.094 -4.645 1.00 0.00 H new ATOM 0 HG2 PRO A 41 9.056 7.730 -7.472 1.00 0.00 H new ATOM 0 HG3 PRO A 41 8.567 6.386 -6.459 1.00 0.00 H new ATOM 0 HD2 PRO A 41 6.973 8.565 -6.804 1.00 0.00 H new ATOM 0 HD3 PRO A 41 6.973 7.659 -5.304 1.00 0.00 H new ATOM 580 N VAL A 42 11.164 11.101 -5.312 1.00 0.00 N ATOM 581 CA VAL A 42 11.990 12.068 -6.025 1.00 0.00 C ATOM 582 C VAL A 42 12.938 11.372 -6.996 1.00 0.00 C ATOM 583 O VAL A 42 13.340 11.947 -8.007 1.00 0.00 O ATOM 584 CB VAL A 42 12.813 12.931 -5.051 1.00 0.00 C ATOM 585 CG1 VAL A 42 11.897 13.675 -4.091 1.00 0.00 C ATOM 586 CG2 VAL A 42 13.810 12.070 -4.290 1.00 0.00 C ATOM 0 H VAL A 42 11.164 11.213 -4.298 1.00 0.00 H new ATOM 0 HA VAL A 42 11.311 12.712 -6.584 1.00 0.00 H new ATOM 0 HB VAL A 42 13.370 13.669 -5.628 1.00 0.00 H new ATOM 0 HG11 VAL A 42 12.497 14.279 -3.411 1.00 0.00 H new ATOM 0 HG12 VAL A 42 11.226 14.322 -4.656 1.00 0.00 H new ATOM 0 HG13 VAL A 42 11.311 12.957 -3.518 1.00 0.00 H new ATOM 0 HG21 VAL A 42 14.383 12.696 -3.606 1.00 0.00 H new ATOM 0 HG22 VAL A 42 13.275 11.308 -3.723 1.00 0.00 H new ATOM 0 HG23 VAL A 42 14.487 11.588 -4.995 1.00 0.00 H new ATOM 650 N ILE A 48 6.703 8.203 -13.951 1.00 0.00 N ATOM 651 CA ILE A 48 5.838 7.159 -13.416 1.00 0.00 C ATOM 652 C ILE A 48 4.579 7.002 -14.263 1.00 0.00 C ATOM 653 O ILE A 48 3.988 7.988 -14.702 1.00 0.00 O ATOM 654 CB ILE A 48 5.431 7.456 -11.961 1.00 0.00 C ATOM 655 CG1 ILE A 48 6.674 7.616 -11.083 1.00 0.00 C ATOM 656 CG2 ILE A 48 4.536 6.349 -11.425 1.00 0.00 C ATOM 657 CD1 ILE A 48 7.554 6.386 -11.052 1.00 0.00 C ATOM 0 HA ILE A 48 6.409 6.231 -13.442 1.00 0.00 H new ATOM 0 HB ILE A 48 4.871 8.391 -11.939 1.00 0.00 H new ATOM 0 HG12 ILE A 48 7.258 8.462 -11.445 1.00 0.00 H new ATOM 0 HG13 ILE A 48 6.362 7.856 -10.066 1.00 0.00 H new ATOM 0 HG21 ILE A 48 4.257 6.573 -10.396 1.00 0.00 H new ATOM 0 HG22 ILE A 48 3.637 6.279 -12.038 1.00 0.00 H new ATOM 0 HG23 ILE A 48 5.072 5.400 -11.457 1.00 0.00 H new ATOM 0 HD11 ILE A 48 8.416 6.571 -10.411 1.00 0.00 H new ATOM 0 HD12 ILE A 48 6.986 5.542 -10.661 1.00 0.00 H new ATOM 0 HD13 ILE A 48 7.896 6.157 -12.062 1.00 0.00 H new ATOM 669 N GLN A 49 4.175 5.756 -14.485 1.00 0.00 N ATOM 670 CA GLN A 49 2.985 5.469 -15.278 1.00 0.00 C ATOM 671 C GLN A 49 1.732 5.498 -14.409 1.00 0.00 C ATOM 672 O GLN A 49 0.823 6.294 -14.640 1.00 0.00 O ATOM 673 CB GLN A 49 3.116 4.106 -15.959 1.00 0.00 C ATOM 674 CG GLN A 49 4.149 4.080 -17.075 1.00 0.00 C ATOM 675 CD GLN A 49 3.627 4.678 -18.366 1.00 0.00 C ATOM 676 OE1 GLN A 49 2.677 5.461 -18.363 1.00 0.00 O ATOM 677 NE2 GLN A 49 4.248 4.311 -19.482 1.00 0.00 N ATOM 0 H GLN A 49 4.653 4.929 -14.127 1.00 0.00 H new ATOM 0 HA GLN A 49 2.894 6.241 -16.042 1.00 0.00 H new ATOM 0 HB2 GLN A 49 3.383 3.359 -15.211 1.00 0.00 H new ATOM 0 HB3 GLN A 49 2.147 3.818 -16.366 1.00 0.00 H new ATOM 0 HG2 GLN A 49 5.036 4.629 -16.757 1.00 0.00 H new ATOM 0 HG3 GLN A 49 4.458 3.050 -17.255 1.00 0.00 H new ATOM 0 HE21 GLN A 49 5.032 3.659 -19.439 1.00 0.00 H new ATOM 0 HE22 GLN A 49 3.941 4.681 -20.382 1.00 0.00 H new ATOM 686 N ASN A 50 1.691 4.624 -13.409 1.00 0.00 N ATOM 687 CA ASN A 50 0.549 4.549 -12.505 1.00 0.00 C ATOM 688 C ASN A 50 0.980 4.069 -11.122 1.00 0.00 C ATOM 689 O ASN A 50 2.053 3.489 -10.962 1.00 0.00 O ATOM 690 CB ASN A 50 -0.517 3.609 -13.074 1.00 0.00 C ATOM 691 CG ASN A 50 -1.766 3.564 -12.215 1.00 0.00 C ATOM 692 OD1 ASN A 50 -2.471 4.563 -12.072 1.00 0.00 O ATOM 693 ND2 ASN A 50 -2.044 2.401 -11.637 1.00 0.00 N ATOM 0 H ASN A 50 2.435 3.958 -13.204 1.00 0.00 H new ATOM 0 HA ASN A 50 0.128 5.550 -12.408 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -0.783 3.932 -14.080 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -0.103 2.605 -13.161 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -2.871 2.310 -11.046 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -1.431 1.599 -11.784 1.00 0.00 H new ATOM 700 N TYR A 51 0.135 4.315 -10.127 1.00 0.00 N ATOM 701 CA TYR A 51 0.428 3.910 -8.758 1.00 0.00 C ATOM 702 C TYR A 51 -0.399 2.692 -8.361 1.00 0.00 C ATOM 703 O TYR A 51 -1.629 2.713 -8.422 1.00 0.00 O ATOM 704 CB TYR A 51 0.152 5.064 -7.792 1.00 0.00 C ATOM 705 CG TYR A 51 1.208 6.146 -7.824 1.00 0.00 C ATOM 706 CD1 TYR A 51 2.520 5.875 -7.454 1.00 0.00 C ATOM 707 CD2 TYR A 51 0.894 7.440 -8.223 1.00 0.00 C ATOM 708 CE1 TYR A 51 3.488 6.860 -7.480 1.00 0.00 C ATOM 709 CE2 TYR A 51 1.856 8.430 -8.254 1.00 0.00 C ATOM 710 CZ TYR A 51 3.151 8.136 -7.882 1.00 0.00 C ATOM 711 OH TYR A 51 4.112 9.121 -7.910 1.00 0.00 O ATOM 0 H TYR A 51 -0.759 4.793 -10.243 1.00 0.00 H new ATOM 0 HA TYR A 51 1.483 3.643 -8.704 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -0.815 5.505 -8.033 1.00 0.00 H new ATOM 0 HB3 TYR A 51 0.079 4.669 -6.779 1.00 0.00 H new ATOM 0 HD1 TYR A 51 2.787 4.877 -7.141 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -0.119 7.675 -8.514 1.00 0.00 H new ATOM 0 HE1 TYR A 51 4.502 6.633 -7.187 1.00 0.00 H new ATOM 0 HE2 TYR A 51 1.596 9.430 -8.568 1.00 0.00 H new ATOM 0 HH TYR A 51 3.867 9.835 -7.284 1.00 0.00 H new ATOM 721 N LYS A 52 0.285 1.628 -7.952 1.00 0.00 N ATOM 722 CA LYS A 52 -0.384 0.399 -7.542 1.00 0.00 C ATOM 723 C LYS A 52 -0.540 0.344 -6.026 1.00 0.00 C ATOM 724 O LYS A 52 0.443 0.215 -5.295 1.00 0.00 O ATOM 725 CB LYS A 52 0.403 -0.820 -8.029 1.00 0.00 C ATOM 726 CG LYS A 52 -0.406 -2.106 -8.030 1.00 0.00 C ATOM 727 CD LYS A 52 -1.115 -2.317 -9.357 1.00 0.00 C ATOM 728 CE LYS A 52 -2.247 -1.320 -9.550 1.00 0.00 C ATOM 729 NZ LYS A 52 -3.203 -1.763 -10.603 1.00 0.00 N ATOM 0 H LYS A 52 1.303 1.593 -7.896 1.00 0.00 H new ATOM 0 HA LYS A 52 -1.377 0.387 -7.992 1.00 0.00 H new ATOM 0 HB2 LYS A 52 0.766 -0.628 -9.039 1.00 0.00 H new ATOM 0 HB3 LYS A 52 1.280 -0.953 -7.395 1.00 0.00 H new ATOM 0 HG2 LYS A 52 0.252 -2.951 -7.830 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -1.140 -2.076 -7.225 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -0.399 -2.218 -10.173 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -1.511 -3.332 -9.402 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -2.780 -1.188 -8.608 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -1.833 -0.349 -9.821 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -4.091 -1.229 -10.512 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -2.790 -1.591 -11.542 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -3.396 -2.779 -10.491 1.00 0.00 H new ATOM 743 N LEU A 53 -1.780 0.442 -5.560 1.00 0.00 N ATOM 744 CA LEU A 53 -2.065 0.402 -4.130 1.00 0.00 C ATOM 745 C LEU A 53 -2.608 -0.964 -3.721 1.00 0.00 C ATOM 746 O LEU A 53 -3.628 -1.418 -4.239 1.00 0.00 O ATOM 747 CB LEU A 53 -3.070 1.494 -3.759 1.00 0.00 C ATOM 748 CG LEU A 53 -3.698 1.385 -2.369 1.00 0.00 C ATOM 749 CD1 LEU A 53 -2.635 1.532 -1.291 1.00 0.00 C ATOM 750 CD2 LEU A 53 -4.788 2.432 -2.193 1.00 0.00 C ATOM 0 H LEU A 53 -2.604 0.550 -6.151 1.00 0.00 H new ATOM 0 HA LEU A 53 -1.132 0.578 -3.594 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -2.571 2.460 -3.835 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -3.871 1.489 -4.499 1.00 0.00 H new ATOM 0 HG LEU A 53 -4.151 0.398 -2.271 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -3.100 1.452 -0.308 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -1.890 0.745 -1.405 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -2.153 2.505 -1.386 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -5.224 2.340 -1.198 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -4.359 3.427 -2.310 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -5.563 2.280 -2.944 1.00 0.00 H new ATOM 762 N TYR A 54 -1.920 -1.613 -2.788 1.00 0.00 N ATOM 763 CA TYR A 54 -2.333 -2.927 -2.309 1.00 0.00 C ATOM 764 C TYR A 54 -3.043 -2.818 -0.963 1.00 0.00 C ATOM 765 O TYR A 54 -2.839 -1.861 -0.216 1.00 0.00 O ATOM 766 CB TYR A 54 -1.121 -3.851 -2.185 1.00 0.00 C ATOM 767 CG TYR A 54 -0.470 -4.178 -3.510 1.00 0.00 C ATOM 768 CD1 TYR A 54 0.116 -3.183 -4.283 1.00 0.00 C ATOM 769 CD2 TYR A 54 -0.441 -5.482 -3.990 1.00 0.00 C ATOM 770 CE1 TYR A 54 0.711 -3.477 -5.495 1.00 0.00 C ATOM 771 CE2 TYR A 54 0.152 -5.786 -5.199 1.00 0.00 C ATOM 772 CZ TYR A 54 0.726 -4.780 -5.949 1.00 0.00 C ATOM 773 OH TYR A 54 1.319 -5.077 -7.154 1.00 0.00 O ATOM 0 H TYR A 54 -1.074 -1.251 -2.348 1.00 0.00 H new ATOM 0 HA TYR A 54 -3.030 -3.347 -3.034 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -0.383 -3.383 -1.533 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -1.430 -4.779 -1.703 1.00 0.00 H new ATOM 0 HD1 TYR A 54 0.106 -2.162 -3.930 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -0.891 -6.272 -3.407 1.00 0.00 H new ATOM 0 HE1 TYR A 54 1.162 -2.692 -6.084 1.00 0.00 H new ATOM 0 HE2 TYR A 54 0.167 -6.805 -5.556 1.00 0.00 H new ATOM 0 HH TYR A 54 1.245 -6.039 -7.327 1.00 0.00 H new ATOM 783 N TYR A 55 -3.879 -3.806 -0.661 1.00 0.00 N ATOM 784 CA TYR A 55 -4.622 -3.822 0.593 1.00 0.00 C ATOM 785 C TYR A 55 -5.098 -5.232 0.926 1.00 0.00 C ATOM 786 O TYR A 55 -5.596 -5.951 0.061 1.00 0.00 O ATOM 787 CB TYR A 55 -5.819 -2.873 0.513 1.00 0.00 C ATOM 788 CG TYR A 55 -6.914 -3.356 -0.410 1.00 0.00 C ATOM 789 CD1 TYR A 55 -6.773 -3.273 -1.790 1.00 0.00 C ATOM 790 CD2 TYR A 55 -8.090 -3.895 0.097 1.00 0.00 C ATOM 791 CE1 TYR A 55 -7.771 -3.713 -2.638 1.00 0.00 C ATOM 792 CE2 TYR A 55 -9.093 -4.338 -0.743 1.00 0.00 C ATOM 793 CZ TYR A 55 -8.929 -4.245 -2.110 1.00 0.00 C ATOM 794 OH TYR A 55 -9.926 -4.684 -2.950 1.00 0.00 O ATOM 0 H TYR A 55 -4.059 -4.606 -1.268 1.00 0.00 H new ATOM 0 HA TYR A 55 -3.954 -3.487 1.386 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -6.232 -2.737 1.513 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -5.475 -1.896 0.175 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -5.868 -2.857 -2.207 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -8.222 -3.969 1.166 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -7.645 -3.641 -3.708 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -10.001 -4.755 -0.332 1.00 0.00 H new ATOM 0 HH TYR A 55 -10.673 -5.031 -2.418 1.00 0.00 H new ATOM 804 N MET A 56 -4.941 -5.620 2.187 1.00 0.00 N ATOM 805 CA MET A 56 -5.357 -6.944 2.637 1.00 0.00 C ATOM 806 C MET A 56 -5.605 -6.954 4.142 1.00 0.00 C ATOM 807 O MET A 56 -5.137 -6.073 4.862 1.00 0.00 O ATOM 808 CB MET A 56 -4.295 -7.985 2.276 1.00 0.00 C ATOM 809 CG MET A 56 -3.268 -8.211 3.374 1.00 0.00 C ATOM 810 SD MET A 56 -1.689 -8.803 2.736 1.00 0.00 S ATOM 811 CE MET A 56 -1.154 -9.856 4.082 1.00 0.00 C ATOM 0 H MET A 56 -4.529 -5.037 2.916 1.00 0.00 H new ATOM 0 HA MET A 56 -6.289 -7.196 2.132 1.00 0.00 H new ATOM 0 HB2 MET A 56 -4.787 -8.931 2.050 1.00 0.00 H new ATOM 0 HB3 MET A 56 -3.781 -7.668 1.369 1.00 0.00 H new ATOM 0 HG2 MET A 56 -3.110 -7.279 3.916 1.00 0.00 H new ATOM 0 HG3 MET A 56 -3.660 -8.933 4.090 1.00 0.00 H new ATOM 0 HE1 MET A 56 -0.188 -10.297 3.837 1.00 0.00 H new ATOM 0 HE2 MET A 56 -1.062 -9.264 4.993 1.00 0.00 H new ATOM 0 HE3 MET A 56 -1.886 -10.649 4.237 1.00 0.00 H new ATOM 821 N GLU A 57 -6.344 -7.956 4.608 1.00 0.00 N ATOM 822 CA GLU A 57 -6.654 -8.078 6.028 1.00 0.00 C ATOM 823 C GLU A 57 -5.589 -8.898 6.749 1.00 0.00 C ATOM 824 O GLU A 57 -5.175 -9.956 6.274 1.00 0.00 O ATOM 825 CB GLU A 57 -8.028 -8.726 6.218 1.00 0.00 C ATOM 826 CG GLU A 57 -8.606 -8.529 7.610 1.00 0.00 C ATOM 827 CD GLU A 57 -9.978 -9.155 7.765 1.00 0.00 C ATOM 828 OE1 GLU A 57 -10.976 -8.490 7.415 1.00 0.00 O ATOM 829 OE2 GLU A 57 -10.055 -10.308 8.236 1.00 0.00 O ATOM 0 H GLU A 57 -6.738 -8.694 4.024 1.00 0.00 H new ATOM 0 HA GLU A 57 -6.669 -7.077 6.458 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -8.720 -8.313 5.484 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -7.948 -9.794 6.015 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -7.928 -8.962 8.346 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -8.671 -7.462 7.825 1.00 0.00 H new ATOM 836 N LYS A 58 -5.147 -8.402 7.900 1.00 0.00 N ATOM 837 CA LYS A 58 -4.131 -9.087 8.689 1.00 0.00 C ATOM 838 C LYS A 58 -4.570 -10.508 9.028 1.00 0.00 C ATOM 839 O LYS A 58 -5.276 -10.732 10.010 1.00 0.00 O ATOM 840 CB LYS A 58 -3.845 -8.310 9.976 1.00 0.00 C ATOM 841 CG LYS A 58 -2.420 -8.467 10.478 1.00 0.00 C ATOM 842 CD LYS A 58 -1.503 -7.405 9.895 1.00 0.00 C ATOM 843 CE LYS A 58 -0.332 -7.111 10.820 1.00 0.00 C ATOM 844 NZ LYS A 58 0.605 -8.265 10.913 1.00 0.00 N ATOM 0 H LYS A 58 -5.477 -7.527 8.307 1.00 0.00 H new ATOM 0 HA LYS A 58 -3.220 -9.140 8.093 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -4.046 -7.253 9.804 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -4.534 -8.644 10.752 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -2.407 -8.402 11.566 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -2.047 -9.456 10.213 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -1.129 -7.738 8.927 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -2.069 -6.490 9.721 1.00 0.00 H new ATOM 0 HE2 LYS A 58 0.206 -6.235 10.458 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -0.707 -6.867 11.814 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 1.389 -8.025 11.553 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 0.098 -9.095 11.283 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 0.983 -8.482 9.969 1.00 0.00 H new ATOM 858 N GLY A 59 -4.147 -11.465 8.208 1.00 0.00 N ATOM 859 CA GLY A 59 -4.506 -12.852 8.438 1.00 0.00 C ATOM 860 C GLY A 59 -5.304 -13.443 7.293 1.00 0.00 C ATOM 861 O GLY A 59 -6.255 -14.195 7.511 1.00 0.00 O ATOM 0 H GLY A 59 -3.562 -11.304 7.388 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -3.599 -13.439 8.586 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -5.087 -12.926 9.357 1.00 0.00 H new ATOM 865 N THR A 60 -4.919 -13.101 6.067 1.00 0.00 N ATOM 866 CA THR A 60 -5.607 -13.600 4.883 1.00 0.00 C ATOM 867 C THR A 60 -4.630 -14.260 3.917 1.00 0.00 C ATOM 868 O THR A 60 -5.010 -15.132 3.134 1.00 0.00 O ATOM 869 CB THR A 60 -6.353 -12.470 4.149 1.00 0.00 C ATOM 870 OG1 THR A 60 -6.868 -11.527 5.095 1.00 0.00 O ATOM 871 CG2 THR A 60 -7.493 -13.029 3.311 1.00 0.00 C ATOM 0 H THR A 60 -4.134 -12.480 5.869 1.00 0.00 H new ATOM 0 HA THR A 60 -6.330 -14.340 5.226 1.00 0.00 H new ATOM 0 HB THR A 60 -5.647 -11.970 3.486 1.00 0.00 H new ATOM 0 HG1 THR A 60 -6.192 -10.841 5.274 1.00 0.00 H new ATOM 0 HG21 THR A 60 -8.005 -12.212 2.802 1.00 0.00 H new ATOM 0 HG22 THR A 60 -7.094 -13.724 2.572 1.00 0.00 H new ATOM 0 HG23 THR A 60 -8.198 -13.552 3.958 1.00 0.00 H new ATOM 879 N ASP A 61 -3.371 -13.840 3.977 1.00 0.00 N ATOM 880 CA ASP A 61 -2.339 -14.393 3.108 1.00 0.00 C ATOM 881 C ASP A 61 -2.682 -14.159 1.640 1.00 0.00 C ATOM 882 O ASP A 61 -2.244 -14.904 0.763 1.00 0.00 O ATOM 883 CB ASP A 61 -2.167 -15.889 3.373 1.00 0.00 C ATOM 884 CG ASP A 61 -1.405 -16.167 4.654 1.00 0.00 C ATOM 885 OD1 ASP A 61 -1.854 -15.703 5.723 1.00 0.00 O ATOM 886 OD2 ASP A 61 -0.362 -16.849 4.587 1.00 0.00 O ATOM 0 H ASP A 61 -3.041 -13.119 4.618 1.00 0.00 H new ATOM 0 HA ASP A 61 -1.401 -13.883 3.329 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -3.148 -16.360 3.428 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -1.641 -16.345 2.535 1.00 0.00 H new ATOM 891 N LYS A 62 -3.469 -13.121 1.380 1.00 0.00 N ATOM 892 CA LYS A 62 -3.872 -12.788 0.019 1.00 0.00 C ATOM 893 C LYS A 62 -4.046 -11.281 -0.144 1.00 0.00 C ATOM 894 O LYS A 62 -5.028 -10.707 0.325 1.00 0.00 O ATOM 895 CB LYS A 62 -5.176 -13.504 -0.339 1.00 0.00 C ATOM 896 CG LYS A 62 -5.764 -13.068 -1.670 1.00 0.00 C ATOM 897 CD LYS A 62 -5.179 -13.862 -2.825 1.00 0.00 C ATOM 898 CE LYS A 62 -5.805 -13.459 -4.152 1.00 0.00 C ATOM 899 NZ LYS A 62 -5.547 -12.029 -4.475 1.00 0.00 N ATOM 0 H LYS A 62 -3.841 -12.495 2.095 1.00 0.00 H new ATOM 0 HA LYS A 62 -3.085 -13.121 -0.657 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -4.995 -14.579 -0.366 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -5.908 -13.324 0.448 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -6.846 -13.197 -1.650 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -5.572 -12.006 -1.823 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -4.101 -13.705 -2.867 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -5.339 -14.927 -2.654 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -5.407 -14.089 -4.948 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -6.880 -13.635 -4.115 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -5.195 -11.952 -5.450 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -6.430 -11.487 -4.382 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -4.836 -11.648 -3.819 1.00 0.00 H new ATOM 913 N GLU A 63 -3.088 -10.648 -0.812 1.00 0.00 N ATOM 914 CA GLU A 63 -3.137 -9.208 -1.036 1.00 0.00 C ATOM 915 C GLU A 63 -3.748 -8.890 -2.398 1.00 0.00 C ATOM 916 O GLU A 63 -3.655 -9.686 -3.332 1.00 0.00 O ATOM 917 CB GLU A 63 -1.734 -8.606 -0.942 1.00 0.00 C ATOM 918 CG GLU A 63 -1.728 -7.091 -0.827 1.00 0.00 C ATOM 919 CD GLU A 63 -0.350 -6.534 -0.524 1.00 0.00 C ATOM 920 OE1 GLU A 63 0.606 -6.895 -1.241 1.00 0.00 O ATOM 921 OE2 GLU A 63 -0.228 -5.738 0.430 1.00 0.00 O ATOM 0 H GLU A 63 -2.269 -11.109 -1.208 1.00 0.00 H new ATOM 0 HA GLU A 63 -3.766 -8.767 -0.262 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -1.223 -9.030 -0.077 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -1.163 -8.897 -1.824 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -2.094 -6.658 -1.758 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -2.419 -6.787 -0.041 1.00 0.00 H new ATOM 928 N GLN A 64 -4.374 -7.721 -2.501 1.00 0.00 N ATOM 929 CA GLN A 64 -5.001 -7.299 -3.748 1.00 0.00 C ATOM 930 C GLN A 64 -4.280 -6.092 -4.338 1.00 0.00 C ATOM 931 O GLN A 64 -3.343 -5.563 -3.741 1.00 0.00 O ATOM 932 CB GLN A 64 -6.475 -6.963 -3.513 1.00 0.00 C ATOM 933 CG GLN A 64 -7.325 -8.171 -3.154 1.00 0.00 C ATOM 934 CD GLN A 64 -8.766 -7.805 -2.858 1.00 0.00 C ATOM 935 OE1 GLN A 64 -9.635 -7.910 -3.724 1.00 0.00 O ATOM 936 NE2 GLN A 64 -9.027 -7.370 -1.631 1.00 0.00 N ATOM 0 H GLN A 64 -4.460 -7.051 -1.737 1.00 0.00 H new ATOM 0 HA GLN A 64 -4.932 -8.123 -4.458 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -6.548 -6.227 -2.712 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -6.881 -6.498 -4.411 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -7.298 -8.887 -3.976 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -6.895 -8.668 -2.284 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -8.276 -7.299 -0.945 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -9.979 -7.107 -1.375 1.00 0.00 H new ATOM 945 N ASP A 65 -4.723 -5.661 -5.514 1.00 0.00 N ATOM 946 CA ASP A 65 -4.121 -4.516 -6.186 1.00 0.00 C ATOM 947 C ASP A 65 -5.185 -3.668 -6.875 1.00 0.00 C ATOM 948 O ASP A 65 -6.050 -4.191 -7.579 1.00 0.00 O ATOM 949 CB ASP A 65 -3.083 -4.984 -7.207 1.00 0.00 C ATOM 950 CG ASP A 65 -3.715 -5.436 -8.509 1.00 0.00 C ATOM 951 OD1 ASP A 65 -4.789 -6.072 -8.458 1.00 0.00 O ATOM 952 OD2 ASP A 65 -3.136 -5.153 -9.578 1.00 0.00 O ATOM 0 H ASP A 65 -5.498 -6.088 -6.022 1.00 0.00 H new ATOM 0 HA ASP A 65 -3.627 -3.903 -5.432 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -2.384 -4.172 -7.408 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -2.505 -5.805 -6.783 1.00 0.00 H new ATOM 957 N VAL A 66 -5.116 -2.357 -6.669 1.00 0.00 N ATOM 958 CA VAL A 66 -6.074 -1.437 -7.270 1.00 0.00 C ATOM 959 C VAL A 66 -5.363 -0.292 -7.983 1.00 0.00 C ATOM 960 O VAL A 66 -4.387 0.259 -7.474 1.00 0.00 O ATOM 961 CB VAL A 66 -7.031 -0.853 -6.214 1.00 0.00 C ATOM 962 CG1 VAL A 66 -7.870 -1.956 -5.586 1.00 0.00 C ATOM 963 CG2 VAL A 66 -6.252 -0.093 -5.152 1.00 0.00 C ATOM 0 H VAL A 66 -4.406 -1.908 -6.090 1.00 0.00 H new ATOM 0 HA VAL A 66 -6.651 -2.011 -7.995 1.00 0.00 H new ATOM 0 HB VAL A 66 -7.705 -0.153 -6.707 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -8.540 -1.525 -4.842 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -8.457 -2.452 -6.359 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -7.215 -2.683 -5.106 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -6.944 0.313 -4.414 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -5.552 -0.769 -4.660 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -5.700 0.723 -5.619 1.00 0.00 H new ATOM 973 N ASP A 67 -5.858 0.060 -9.164 1.00 0.00 N ATOM 974 CA ASP A 67 -5.271 1.141 -9.948 1.00 0.00 C ATOM 975 C ASP A 67 -5.771 2.498 -9.462 1.00 0.00 C ATOM 976 O ASP A 67 -6.962 2.798 -9.543 1.00 0.00 O ATOM 977 CB ASP A 67 -5.602 0.963 -11.430 1.00 0.00 C ATOM 978 CG ASP A 67 -7.006 1.423 -11.770 1.00 0.00 C ATOM 979 OD1 ASP A 67 -7.189 2.632 -12.026 1.00 0.00 O ATOM 980 OD2 ASP A 67 -7.921 0.574 -11.780 1.00 0.00 O ATOM 0 H ASP A 67 -6.664 -0.387 -9.600 1.00 0.00 H new ATOM 0 HA ASP A 67 -4.189 1.104 -9.819 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -4.884 1.523 -12.029 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -5.492 -0.087 -11.700 1.00 0.00 H new ATOM 985 N VAL A 68 -4.853 3.315 -8.956 1.00 0.00 N ATOM 986 CA VAL A 68 -5.200 4.640 -8.456 1.00 0.00 C ATOM 987 C VAL A 68 -4.468 5.729 -9.233 1.00 0.00 C ATOM 988 O VAL A 68 -3.243 5.708 -9.347 1.00 0.00 O ATOM 989 CB VAL A 68 -4.867 4.781 -6.959 1.00 0.00 C ATOM 990 CG1 VAL A 68 -5.244 6.166 -6.456 1.00 0.00 C ATOM 991 CG2 VAL A 68 -5.573 3.701 -6.153 1.00 0.00 C ATOM 0 H VAL A 68 -3.863 3.082 -8.881 1.00 0.00 H new ATOM 0 HA VAL A 68 -6.275 4.759 -8.594 1.00 0.00 H new ATOM 0 HB VAL A 68 -3.792 4.655 -6.830 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -5.001 6.247 -5.396 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -4.688 6.920 -7.014 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -6.313 6.326 -6.597 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -5.327 3.815 -5.097 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -6.651 3.794 -6.286 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -5.248 2.719 -6.497 1.00 0.00 H new ATOM 1001 N SER A 69 -5.228 6.681 -9.765 1.00 0.00 N ATOM 1002 CA SER A 69 -4.653 7.778 -10.534 1.00 0.00 C ATOM 1003 C SER A 69 -4.127 8.872 -9.611 1.00 0.00 C ATOM 1004 O SER A 69 -3.088 9.476 -9.874 1.00 0.00 O ATOM 1005 CB SER A 69 -5.695 8.359 -11.492 1.00 0.00 C ATOM 1006 OG SER A 69 -6.641 9.152 -10.795 1.00 0.00 O ATOM 0 H SER A 69 -6.244 6.715 -9.677 1.00 0.00 H new ATOM 0 HA SER A 69 -3.818 7.384 -11.113 1.00 0.00 H new ATOM 0 HB2 SER A 69 -5.199 8.963 -12.252 1.00 0.00 H new ATOM 0 HB3 SER A 69 -6.207 7.550 -12.012 1.00 0.00 H new ATOM 0 HG SER A 69 -7.295 9.513 -11.429 1.00 0.00 H new ATOM 1012 N SER A 70 -4.854 9.121 -8.526 1.00 0.00 N ATOM 1013 CA SER A 70 -4.464 10.145 -7.563 1.00 0.00 C ATOM 1014 C SER A 70 -3.451 9.595 -6.565 1.00 0.00 C ATOM 1015 O SER A 70 -3.220 8.387 -6.498 1.00 0.00 O ATOM 1016 CB SER A 70 -5.694 10.672 -6.821 1.00 0.00 C ATOM 1017 OG SER A 70 -6.487 9.606 -6.328 1.00 0.00 O ATOM 0 H SER A 70 -5.716 8.628 -8.292 1.00 0.00 H new ATOM 0 HA SER A 70 -3.999 10.965 -8.110 1.00 0.00 H new ATOM 0 HB2 SER A 70 -5.379 11.308 -5.994 1.00 0.00 H new ATOM 0 HB3 SER A 70 -6.289 11.292 -7.491 1.00 0.00 H new ATOM 0 HG SER A 70 -6.419 9.572 -5.351 1.00 0.00 H new ATOM 1023 N HIS A 71 -2.847 10.490 -5.789 1.00 0.00 N ATOM 1024 CA HIS A 71 -1.858 10.095 -4.793 1.00 0.00 C ATOM 1025 C HIS A 71 -2.533 9.486 -3.568 1.00 0.00 C ATOM 1026 O HIS A 71 -1.932 8.691 -2.847 1.00 0.00 O ATOM 1027 CB HIS A 71 -1.013 11.300 -4.378 1.00 0.00 C ATOM 1028 CG HIS A 71 -0.045 11.744 -5.430 1.00 0.00 C ATOM 1029 ND1 HIS A 71 -0.123 12.971 -6.055 1.00 0.00 N ATOM 1030 CD2 HIS A 71 1.029 11.118 -5.967 1.00 0.00 C ATOM 1031 CE1 HIS A 71 0.860 13.079 -6.932 1.00 0.00 C ATOM 1032 NE2 HIS A 71 1.574 11.969 -6.897 1.00 0.00 N ATOM 0 H HIS A 71 -3.025 11.493 -5.831 1.00 0.00 H new ATOM 0 HA HIS A 71 -1.209 9.342 -5.240 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -1.675 12.130 -4.132 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -0.462 11.052 -3.471 1.00 0.00 H new ATOM 0 HD2 HIS A 71 1.390 10.133 -5.711 1.00 0.00 H new ATOM 0 HE1 HIS A 71 1.047 13.931 -7.569 1.00 0.00 H new ATOM 0 HE2 HIS A 71 2.397 11.775 -7.468 1.00 0.00 H new ATOM 1041 N SER A 72 -3.787 9.866 -3.339 1.00 0.00 N ATOM 1042 CA SER A 72 -4.542 9.361 -2.199 1.00 0.00 C ATOM 1043 C SER A 72 -5.828 8.681 -2.658 1.00 0.00 C ATOM 1044 O SER A 72 -6.544 9.197 -3.517 1.00 0.00 O ATOM 1045 CB SER A 72 -4.871 10.501 -1.233 1.00 0.00 C ATOM 1046 OG SER A 72 -5.602 11.526 -1.884 1.00 0.00 O ATOM 0 H SER A 72 -4.300 10.522 -3.928 1.00 0.00 H new ATOM 0 HA SER A 72 -3.926 8.624 -1.684 1.00 0.00 H new ATOM 0 HB2 SER A 72 -5.449 10.115 -0.393 1.00 0.00 H new ATOM 0 HB3 SER A 72 -3.949 10.912 -0.823 1.00 0.00 H new ATOM 0 HG SER A 72 -5.801 12.242 -1.245 1.00 0.00 H new ATOM 1052 N TYR A 73 -6.115 7.520 -2.080 1.00 0.00 N ATOM 1053 CA TYR A 73 -7.313 6.767 -2.430 1.00 0.00 C ATOM 1054 C TYR A 73 -8.117 6.410 -1.183 1.00 0.00 C ATOM 1055 O TYR A 73 -7.575 6.336 -0.080 1.00 0.00 O ATOM 1056 CB TYR A 73 -6.937 5.493 -3.189 1.00 0.00 C ATOM 1057 CG TYR A 73 -8.130 4.704 -3.677 1.00 0.00 C ATOM 1058 CD1 TYR A 73 -8.902 5.158 -4.739 1.00 0.00 C ATOM 1059 CD2 TYR A 73 -8.486 3.503 -3.075 1.00 0.00 C ATOM 1060 CE1 TYR A 73 -9.993 4.440 -5.188 1.00 0.00 C ATOM 1061 CE2 TYR A 73 -9.575 2.777 -3.518 1.00 0.00 C ATOM 1062 CZ TYR A 73 -10.326 3.250 -4.574 1.00 0.00 C ATOM 1063 OH TYR A 73 -11.412 2.532 -5.018 1.00 0.00 O ATOM 0 H TYR A 73 -5.534 7.080 -1.367 1.00 0.00 H new ATOM 0 HA TYR A 73 -7.931 7.396 -3.071 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -6.314 5.760 -4.043 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -6.333 4.858 -2.540 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -8.644 6.089 -5.222 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -7.901 3.131 -2.247 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -10.582 4.808 -6.015 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -9.837 1.844 -3.040 1.00 0.00 H new ATOM 0 HH TYR A 73 -11.509 1.719 -4.480 1.00 0.00 H new ATOM 1073 N THR A 74 -9.415 6.190 -1.367 1.00 0.00 N ATOM 1074 CA THR A 74 -10.295 5.842 -0.259 1.00 0.00 C ATOM 1075 C THR A 74 -10.924 4.468 -0.466 1.00 0.00 C ATOM 1076 O THR A 74 -11.819 4.304 -1.296 1.00 0.00 O ATOM 1077 CB THR A 74 -11.415 6.885 -0.081 1.00 0.00 C ATOM 1078 OG1 THR A 74 -10.850 8.196 0.026 1.00 0.00 O ATOM 1079 CG2 THR A 74 -12.246 6.582 1.157 1.00 0.00 C ATOM 0 H THR A 74 -9.880 6.247 -2.273 1.00 0.00 H new ATOM 0 HA THR A 74 -9.679 5.825 0.640 1.00 0.00 H new ATOM 0 HB THR A 74 -12.065 6.840 -0.955 1.00 0.00 H new ATOM 0 HG1 THR A 74 -11.568 8.854 0.137 1.00 0.00 H new ATOM 0 HG21 THR A 74 -13.030 7.332 1.261 1.00 0.00 H new ATOM 0 HG22 THR A 74 -12.698 5.595 1.059 1.00 0.00 H new ATOM 0 HG23 THR A 74 -11.606 6.602 2.039 1.00 0.00 H new ATOM 1087 N ILE A 75 -10.450 3.485 0.292 1.00 0.00 N ATOM 1088 CA ILE A 75 -10.968 2.127 0.191 1.00 0.00 C ATOM 1089 C ILE A 75 -12.150 1.917 1.133 1.00 0.00 C ATOM 1090 O ILE A 75 -12.025 2.079 2.346 1.00 0.00 O ATOM 1091 CB ILE A 75 -9.880 1.085 0.512 1.00 0.00 C ATOM 1092 CG1 ILE A 75 -8.698 1.238 -0.447 1.00 0.00 C ATOM 1093 CG2 ILE A 75 -10.454 -0.322 0.432 1.00 0.00 C ATOM 1094 CD1 ILE A 75 -7.476 0.450 -0.031 1.00 0.00 C ATOM 0 H ILE A 75 -9.709 3.604 0.982 1.00 0.00 H new ATOM 0 HA ILE A 75 -11.299 1.991 -0.839 1.00 0.00 H new ATOM 0 HB ILE A 75 -9.524 1.255 1.528 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -9.005 0.918 -1.443 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -8.433 2.293 -0.519 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -9.673 -1.047 0.661 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -11.267 -0.425 1.151 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -10.834 -0.503 -0.574 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -6.678 0.606 -0.757 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -7.144 0.786 0.951 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -7.724 -0.610 0.013 1.00 0.00 H new ATOM 1106 N ASN A 76 -13.295 1.555 0.564 1.00 0.00 N ATOM 1107 CA ASN A 76 -14.500 1.322 1.353 1.00 0.00 C ATOM 1108 C ASN A 76 -14.915 -0.144 1.291 1.00 0.00 C ATOM 1109 O ASN A 76 -14.381 -0.918 0.498 1.00 0.00 O ATOM 1110 CB ASN A 76 -15.641 2.209 0.852 1.00 0.00 C ATOM 1111 CG ASN A 76 -15.357 3.686 1.052 1.00 0.00 C ATOM 1112 OD1 ASN A 76 -15.924 4.324 1.939 1.00 0.00 O ATOM 1113 ND2 ASN A 76 -14.475 4.235 0.225 1.00 0.00 N ATOM 0 H ASN A 76 -13.414 1.417 -0.440 1.00 0.00 H new ATOM 0 HA ASN A 76 -14.281 1.575 2.390 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -15.810 2.015 -0.207 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -16.560 1.944 1.375 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -14.243 5.225 0.311 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -14.030 3.667 -0.496 1.00 0.00 H new ATOM 1120 N GLY A 77 -15.873 -0.519 2.134 1.00 0.00 N ATOM 1121 CA GLY A 77 -16.345 -1.891 2.158 1.00 0.00 C ATOM 1122 C GLY A 77 -15.457 -2.794 2.992 1.00 0.00 C ATOM 1123 O GLY A 77 -15.092 -3.888 2.561 1.00 0.00 O ATOM 0 H GLY A 77 -16.330 0.103 2.800 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -17.360 -1.916 2.556 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -16.392 -2.274 1.139 1.00 0.00 H new ATOM 1127 N LEU A 78 -15.108 -2.336 4.189 1.00 0.00 N ATOM 1128 CA LEU A 78 -14.256 -3.109 5.086 1.00 0.00 C ATOM 1129 C LEU A 78 -14.986 -3.432 6.386 1.00 0.00 C ATOM 1130 O LEU A 78 -16.003 -2.819 6.709 1.00 0.00 O ATOM 1131 CB LEU A 78 -12.969 -2.341 5.388 1.00 0.00 C ATOM 1132 CG LEU A 78 -12.174 -1.861 4.173 1.00 0.00 C ATOM 1133 CD1 LEU A 78 -11.025 -0.963 4.608 1.00 0.00 C ATOM 1134 CD2 LEU A 78 -11.653 -3.046 3.373 1.00 0.00 C ATOM 0 H LEU A 78 -15.402 -1.433 4.561 1.00 0.00 H new ATOM 0 HA LEU A 78 -14.004 -4.046 4.589 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -13.222 -1.474 5.998 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -12.323 -2.978 5.992 1.00 0.00 H new ATOM 0 HG LEU A 78 -12.840 -1.282 3.534 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -10.470 -0.631 3.730 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -11.421 -0.096 5.137 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -10.360 -1.518 5.269 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -11.090 -2.685 2.512 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -11.003 -3.653 4.003 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -12.493 -3.650 3.029 1.00 0.00 H new ATOM 1146 N LYS A 79 -14.458 -4.398 7.130 1.00 0.00 N ATOM 1147 CA LYS A 79 -15.055 -4.802 8.398 1.00 0.00 C ATOM 1148 C LYS A 79 -14.782 -3.765 9.482 1.00 0.00 C ATOM 1149 O LYS A 79 -13.923 -2.897 9.324 1.00 0.00 O ATOM 1150 CB LYS A 79 -14.510 -6.164 8.831 1.00 0.00 C ATOM 1151 CG LYS A 79 -15.159 -7.335 8.114 1.00 0.00 C ATOM 1152 CD LYS A 79 -16.383 -7.838 8.860 1.00 0.00 C ATOM 1153 CE LYS A 79 -15.999 -8.793 9.980 1.00 0.00 C ATOM 1154 NZ LYS A 79 -17.188 -9.250 10.751 1.00 0.00 N ATOM 0 H LYS A 79 -13.617 -4.916 6.877 1.00 0.00 H new ATOM 0 HA LYS A 79 -16.133 -4.878 8.256 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -13.435 -6.190 8.652 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -14.657 -6.280 9.905 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -15.445 -7.032 7.107 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -14.437 -8.145 8.011 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -16.932 -6.992 9.274 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -17.053 -8.342 8.164 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -15.484 -9.657 9.560 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -15.297 -8.300 10.653 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -16.884 -9.899 11.505 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -17.665 -8.428 11.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -17.846 -9.743 10.114 1.00 0.00 H new ATOM 1168 N LYS A 80 -15.518 -3.861 10.585 1.00 0.00 N ATOM 1169 CA LYS A 80 -15.354 -2.933 11.698 1.00 0.00 C ATOM 1170 C LYS A 80 -14.409 -3.507 12.749 1.00 0.00 C ATOM 1171 O LYS A 80 -14.504 -4.680 13.109 1.00 0.00 O ATOM 1172 CB LYS A 80 -16.711 -2.620 12.332 1.00 0.00 C ATOM 1173 CG LYS A 80 -17.497 -1.552 11.592 1.00 0.00 C ATOM 1174 CD LYS A 80 -18.995 -1.767 11.728 1.00 0.00 C ATOM 1175 CE LYS A 80 -19.498 -2.816 10.748 1.00 0.00 C ATOM 1176 NZ LYS A 80 -19.911 -2.212 9.452 1.00 0.00 N ATOM 0 H LYS A 80 -16.234 -4.572 10.732 1.00 0.00 H new ATOM 0 HA LYS A 80 -14.921 -2.011 11.310 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -17.304 -3.534 12.371 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -16.556 -2.297 13.361 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -17.233 -0.569 11.982 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -17.221 -1.561 10.537 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -19.228 -2.077 12.747 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -19.516 -0.826 11.554 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -18.715 -3.553 10.572 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -20.343 -3.347 11.187 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -20.920 -2.401 9.287 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -19.751 -1.185 9.481 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -19.350 -2.628 8.681 1.00 0.00 H new ATOM 1190 N TYR A 81 -13.500 -2.671 13.239 1.00 0.00 N ATOM 1191 CA TYR A 81 -12.538 -3.096 14.249 1.00 0.00 C ATOM 1192 C TYR A 81 -11.633 -4.200 13.710 1.00 0.00 C ATOM 1193 O TYR A 81 -11.393 -5.206 14.379 1.00 0.00 O ATOM 1194 CB TYR A 81 -13.265 -3.584 15.503 1.00 0.00 C ATOM 1195 CG TYR A 81 -12.420 -3.520 16.756 1.00 0.00 C ATOM 1196 CD1 TYR A 81 -11.855 -2.322 17.176 1.00 0.00 C ATOM 1197 CD2 TYR A 81 -12.189 -4.657 17.520 1.00 0.00 C ATOM 1198 CE1 TYR A 81 -11.082 -2.260 18.320 1.00 0.00 C ATOM 1199 CE2 TYR A 81 -11.419 -4.603 18.666 1.00 0.00 C ATOM 1200 CZ TYR A 81 -10.868 -3.403 19.061 1.00 0.00 C ATOM 1201 OH TYR A 81 -10.100 -3.344 20.202 1.00 0.00 O ATOM 0 H TYR A 81 -13.409 -1.696 12.953 1.00 0.00 H new ATOM 0 HA TYR A 81 -11.918 -2.237 14.507 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -14.163 -2.984 15.649 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -13.591 -4.612 15.347 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -12.023 -1.425 16.599 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -12.619 -5.599 17.213 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -10.648 -1.322 18.632 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -11.250 -5.496 19.249 1.00 0.00 H new ATOM 0 HH TYR A 81 -10.048 -4.235 20.608 1.00 0.00 H new ATOM 1211 N THR A 82 -11.133 -4.005 12.494 1.00 0.00 N ATOM 1212 CA THR A 82 -10.255 -4.982 11.863 1.00 0.00 C ATOM 1213 C THR A 82 -9.026 -4.310 11.261 1.00 0.00 C ATOM 1214 O THR A 82 -9.114 -3.211 10.715 1.00 0.00 O ATOM 1215 CB THR A 82 -10.989 -5.766 10.758 1.00 0.00 C ATOM 1216 OG1 THR A 82 -12.129 -6.436 11.309 1.00 0.00 O ATOM 1217 CG2 THR A 82 -10.062 -6.782 10.108 1.00 0.00 C ATOM 0 H THR A 82 -11.321 -3.179 11.926 1.00 0.00 H new ATOM 0 HA THR A 82 -9.941 -5.675 12.644 1.00 0.00 H new ATOM 0 HB THR A 82 -11.316 -5.058 9.996 1.00 0.00 H new ATOM 0 HG1 THR A 82 -12.591 -6.931 10.601 1.00 0.00 H new ATOM 0 HG21 THR A 82 -10.603 -7.323 9.331 1.00 0.00 H new ATOM 0 HG22 THR A 82 -9.210 -6.266 9.665 1.00 0.00 H new ATOM 0 HG23 THR A 82 -9.708 -7.486 10.861 1.00 0.00 H new ATOM 1225 N GLU A 83 -7.881 -4.978 11.365 1.00 0.00 N ATOM 1226 CA GLU A 83 -6.634 -4.444 10.831 1.00 0.00 C ATOM 1227 C GLU A 83 -6.497 -4.765 9.345 1.00 0.00 C ATOM 1228 O GLU A 83 -7.067 -5.740 8.855 1.00 0.00 O ATOM 1229 CB GLU A 83 -5.439 -5.013 11.599 1.00 0.00 C ATOM 1230 CG GLU A 83 -4.185 -4.162 11.490 1.00 0.00 C ATOM 1231 CD GLU A 83 -3.094 -4.607 12.444 1.00 0.00 C ATOM 1232 OE1 GLU A 83 -3.334 -4.593 13.669 1.00 0.00 O ATOM 1233 OE2 GLU A 83 -1.999 -4.969 11.964 1.00 0.00 O ATOM 0 H GLU A 83 -7.792 -5.889 11.814 1.00 0.00 H new ATOM 0 HA GLU A 83 -6.651 -3.361 10.951 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -5.709 -5.115 12.650 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -5.222 -6.014 11.227 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -3.809 -4.205 10.468 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -4.438 -3.121 11.693 1.00 0.00 H new ATOM 1240 N TYR A 84 -5.739 -3.937 8.635 1.00 0.00 N ATOM 1241 CA TYR A 84 -5.529 -4.130 7.205 1.00 0.00 C ATOM 1242 C TYR A 84 -4.178 -3.567 6.772 1.00 0.00 C ATOM 1243 O TYR A 84 -3.847 -2.420 7.070 1.00 0.00 O ATOM 1244 CB TYR A 84 -6.651 -3.462 6.409 1.00 0.00 C ATOM 1245 CG TYR A 84 -8.007 -4.095 6.625 1.00 0.00 C ATOM 1246 CD1 TYR A 84 -8.417 -5.183 5.863 1.00 0.00 C ATOM 1247 CD2 TYR A 84 -8.878 -3.607 7.591 1.00 0.00 C ATOM 1248 CE1 TYR A 84 -9.655 -5.764 6.056 1.00 0.00 C ATOM 1249 CE2 TYR A 84 -10.117 -4.183 7.792 1.00 0.00 C ATOM 1250 CZ TYR A 84 -10.501 -5.261 7.022 1.00 0.00 C ATOM 1251 OH TYR A 84 -11.735 -5.838 7.219 1.00 0.00 O ATOM 0 H TYR A 84 -5.260 -3.126 9.026 1.00 0.00 H new ATOM 0 HA TYR A 84 -5.537 -5.201 7.003 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -6.703 -2.409 6.685 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -6.406 -3.502 5.348 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -7.756 -5.581 5.107 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -8.581 -2.763 8.195 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -9.959 -6.607 5.454 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -10.782 -3.792 8.548 1.00 0.00 H new ATOM 0 HH TYR A 84 -11.632 -6.808 7.309 1.00 0.00 H new ATOM 1261 N SER A 85 -3.403 -4.385 6.067 1.00 0.00 N ATOM 1262 CA SER A 85 -2.087 -3.972 5.595 1.00 0.00 C ATOM 1263 C SER A 85 -2.198 -3.192 4.288 1.00 0.00 C ATOM 1264 O SER A 85 -3.007 -3.523 3.421 1.00 0.00 O ATOM 1265 CB SER A 85 -1.186 -5.193 5.397 1.00 0.00 C ATOM 1266 OG SER A 85 0.174 -4.865 5.621 1.00 0.00 O ATOM 0 H SER A 85 -3.664 -5.337 5.810 1.00 0.00 H new ATOM 0 HA SER A 85 -1.646 -3.322 6.350 1.00 0.00 H new ATOM 0 HB2 SER A 85 -1.489 -5.987 6.080 1.00 0.00 H new ATOM 0 HB3 SER A 85 -1.308 -5.579 4.385 1.00 0.00 H new ATOM 0 HG SER A 85 0.729 -5.662 5.490 1.00 0.00 H new ATOM 1272 N PHE A 86 -1.381 -2.153 4.156 1.00 0.00 N ATOM 1273 CA PHE A 86 -1.387 -1.323 2.956 1.00 0.00 C ATOM 1274 C PHE A 86 0.035 -1.039 2.483 1.00 0.00 C ATOM 1275 O PHE A 86 0.924 -0.761 3.288 1.00 0.00 O ATOM 1276 CB PHE A 86 -2.120 -0.007 3.225 1.00 0.00 C ATOM 1277 CG PHE A 86 -3.585 -0.182 3.505 1.00 0.00 C ATOM 1278 CD1 PHE A 86 -4.473 -0.451 2.475 1.00 0.00 C ATOM 1279 CD2 PHE A 86 -4.074 -0.079 4.797 1.00 0.00 C ATOM 1280 CE1 PHE A 86 -5.822 -0.613 2.730 1.00 0.00 C ATOM 1281 CE2 PHE A 86 -5.422 -0.240 5.058 1.00 0.00 C ATOM 1282 CZ PHE A 86 -6.297 -0.508 4.023 1.00 0.00 C ATOM 0 H PHE A 86 -0.706 -1.865 4.865 1.00 0.00 H new ATOM 0 HA PHE A 86 -1.909 -1.868 2.170 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -1.653 0.492 4.074 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -1.999 0.649 2.363 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -4.107 -0.535 1.462 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -3.394 0.130 5.610 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -6.504 -0.821 1.919 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -5.791 -0.156 6.070 1.00 0.00 H new ATOM 0 HZ PHE A 86 -7.350 -0.635 4.224 1.00 0.00 H new ATOM 1292 N ARG A 87 0.243 -1.112 1.173 1.00 0.00 N ATOM 1293 CA ARG A 87 1.557 -0.865 0.592 1.00 0.00 C ATOM 1294 C ARG A 87 1.430 -0.243 -0.795 1.00 0.00 C ATOM 1295 O ARG A 87 0.571 -0.633 -1.586 1.00 0.00 O ATOM 1296 CB ARG A 87 2.354 -2.168 0.508 1.00 0.00 C ATOM 1297 CG ARG A 87 1.790 -3.163 -0.493 1.00 0.00 C ATOM 1298 CD ARG A 87 2.823 -4.209 -0.882 1.00 0.00 C ATOM 1299 NE ARG A 87 2.622 -4.698 -2.243 1.00 0.00 N ATOM 1300 CZ ARG A 87 3.492 -5.472 -2.882 1.00 0.00 C ATOM 1301 NH1 ARG A 87 4.617 -5.843 -2.286 1.00 0.00 N ATOM 1302 NH2 ARG A 87 3.237 -5.877 -4.119 1.00 0.00 N ATOM 0 H ARG A 87 -0.482 -1.340 0.493 1.00 0.00 H new ATOM 0 HA ARG A 87 2.086 -0.165 1.238 1.00 0.00 H new ATOM 0 HB2 ARG A 87 3.384 -1.937 0.237 1.00 0.00 H new ATOM 0 HB3 ARG A 87 2.380 -2.632 1.494 1.00 0.00 H new ATOM 0 HG2 ARG A 87 0.916 -3.655 -0.066 1.00 0.00 H new ATOM 0 HG3 ARG A 87 1.454 -2.633 -1.384 1.00 0.00 H new ATOM 0 HD2 ARG A 87 3.822 -3.782 -0.794 1.00 0.00 H new ATOM 0 HD3 ARG A 87 2.772 -5.046 -0.185 1.00 0.00 H new ATOM 0 HE ARG A 87 1.767 -4.431 -2.730 1.00 0.00 H new ATOM 0 HH11 ARG A 87 4.816 -5.534 -1.335 1.00 0.00 H new ATOM 0 HH12 ARG A 87 5.283 -6.437 -2.779 1.00 0.00 H new ATOM 0 HH21 ARG A 87 2.372 -5.594 -4.580 1.00 0.00 H new ATOM 0 HH22 ARG A 87 3.906 -6.471 -4.609 1.00 0.00 H new ATOM 1316 N VAL A 88 2.292 0.727 -1.085 1.00 0.00 N ATOM 1317 CA VAL A 88 2.277 1.403 -2.376 1.00 0.00 C ATOM 1318 C VAL A 88 3.465 0.979 -3.232 1.00 0.00 C ATOM 1319 O VAL A 88 4.559 0.742 -2.721 1.00 0.00 O ATOM 1320 CB VAL A 88 2.299 2.934 -2.209 1.00 0.00 C ATOM 1321 CG1 VAL A 88 2.340 3.619 -3.567 1.00 0.00 C ATOM 1322 CG2 VAL A 88 1.095 3.399 -1.404 1.00 0.00 C ATOM 0 H VAL A 88 3.010 1.062 -0.442 1.00 0.00 H new ATOM 0 HA VAL A 88 1.352 1.113 -2.874 1.00 0.00 H new ATOM 0 HB VAL A 88 3.201 3.210 -1.663 1.00 0.00 H new ATOM 0 HG11 VAL A 88 2.355 4.700 -3.429 1.00 0.00 H new ATOM 0 HG12 VAL A 88 3.237 3.309 -4.104 1.00 0.00 H new ATOM 0 HG13 VAL A 88 1.458 3.339 -4.143 1.00 0.00 H new ATOM 0 HG21 VAL A 88 1.126 4.483 -1.296 1.00 0.00 H new ATOM 0 HG22 VAL A 88 0.179 3.112 -1.921 1.00 0.00 H new ATOM 0 HG23 VAL A 88 1.115 2.935 -0.418 1.00 0.00 H new ATOM 1332 N VAL A 89 3.242 0.886 -4.539 1.00 0.00 N ATOM 1333 CA VAL A 89 4.295 0.492 -5.468 1.00 0.00 C ATOM 1334 C VAL A 89 4.323 1.406 -6.687 1.00 0.00 C ATOM 1335 O VAL A 89 3.287 1.685 -7.290 1.00 0.00 O ATOM 1336 CB VAL A 89 4.115 -0.965 -5.936 1.00 0.00 C ATOM 1337 CG1 VAL A 89 5.193 -1.340 -6.941 1.00 0.00 C ATOM 1338 CG2 VAL A 89 4.131 -1.912 -4.746 1.00 0.00 C ATOM 0 H VAL A 89 2.342 1.078 -4.979 1.00 0.00 H new ATOM 0 HA VAL A 89 5.239 0.579 -4.931 1.00 0.00 H new ATOM 0 HB VAL A 89 3.147 -1.053 -6.429 1.00 0.00 H new ATOM 0 HG11 VAL A 89 5.050 -2.372 -7.260 1.00 0.00 H new ATOM 0 HG12 VAL A 89 5.129 -0.680 -7.806 1.00 0.00 H new ATOM 0 HG13 VAL A 89 6.174 -1.236 -6.478 1.00 0.00 H new ATOM 0 HG21 VAL A 89 4.003 -2.937 -5.095 1.00 0.00 H new ATOM 0 HG22 VAL A 89 5.083 -1.823 -4.223 1.00 0.00 H new ATOM 0 HG23 VAL A 89 3.319 -1.656 -4.066 1.00 0.00 H new ATOM 1348 N ALA A 90 5.516 1.869 -7.046 1.00 0.00 N ATOM 1349 CA ALA A 90 5.680 2.750 -8.195 1.00 0.00 C ATOM 1350 C ALA A 90 5.854 1.949 -9.481 1.00 0.00 C ATOM 1351 O ALA A 90 6.705 1.063 -9.561 1.00 0.00 O ATOM 1352 CB ALA A 90 6.867 3.678 -7.985 1.00 0.00 C ATOM 0 H ALA A 90 6.383 1.648 -6.557 1.00 0.00 H new ATOM 0 HA ALA A 90 4.776 3.351 -8.291 1.00 0.00 H new ATOM 0 HB1 ALA A 90 6.977 4.330 -8.852 1.00 0.00 H new ATOM 0 HB2 ALA A 90 6.702 4.284 -7.094 1.00 0.00 H new ATOM 0 HB3 ALA A 90 7.774 3.086 -7.859 1.00 0.00 H new ATOM 1358 N TYR A 91 5.042 2.265 -10.484 1.00 0.00 N ATOM 1359 CA TYR A 91 5.105 1.572 -11.765 1.00 0.00 C ATOM 1360 C TYR A 91 5.450 2.540 -12.892 1.00 0.00 C ATOM 1361 O TYR A 91 4.649 3.401 -13.254 1.00 0.00 O ATOM 1362 CB TYR A 91 3.772 0.882 -12.061 1.00 0.00 C ATOM 1363 CG TYR A 91 3.630 -0.470 -11.399 1.00 0.00 C ATOM 1364 CD1 TYR A 91 3.186 -0.580 -10.087 1.00 0.00 C ATOM 1365 CD2 TYR A 91 3.939 -1.638 -12.086 1.00 0.00 C ATOM 1366 CE1 TYR A 91 3.056 -1.813 -9.478 1.00 0.00 C ATOM 1367 CE2 TYR A 91 3.810 -2.875 -11.486 1.00 0.00 C ATOM 1368 CZ TYR A 91 3.369 -2.958 -10.182 1.00 0.00 C ATOM 1369 OH TYR A 91 3.239 -4.188 -9.579 1.00 0.00 O ATOM 0 H TYR A 91 4.333 2.996 -10.434 1.00 0.00 H new ATOM 0 HA TYR A 91 5.891 0.819 -11.704 1.00 0.00 H new ATOM 0 HB2 TYR A 91 2.958 1.526 -11.730 1.00 0.00 H new ATOM 0 HB3 TYR A 91 3.666 0.762 -13.139 1.00 0.00 H new ATOM 0 HD1 TYR A 91 2.938 0.314 -9.534 1.00 0.00 H new ATOM 0 HD2 TYR A 91 4.286 -1.577 -13.107 1.00 0.00 H new ATOM 0 HE1 TYR A 91 2.711 -1.881 -8.457 1.00 0.00 H new ATOM 0 HE2 TYR A 91 4.053 -3.773 -12.035 1.00 0.00 H new ATOM 0 HH TYR A 91 2.542 -4.143 -8.891 1.00 0.00 H new ATOM 1379 N ASN A 92 6.650 2.392 -13.445 1.00 0.00 N ATOM 1380 CA ASN A 92 7.103 3.252 -14.531 1.00 0.00 C ATOM 1381 C ASN A 92 7.255 2.460 -15.826 1.00 0.00 C ATOM 1382 O ASN A 92 7.037 1.248 -15.855 1.00 0.00 O ATOM 1383 CB ASN A 92 8.434 3.913 -14.165 1.00 0.00 C ATOM 1384 CG ASN A 92 9.573 2.915 -14.088 1.00 0.00 C ATOM 1385 OD1 ASN A 92 9.397 1.732 -14.379 1.00 0.00 O ATOM 1386 ND2 ASN A 92 10.749 3.389 -13.695 1.00 0.00 N ATOM 0 H ASN A 92 7.326 1.684 -13.158 1.00 0.00 H new ATOM 0 HA ASN A 92 6.351 4.026 -14.686 1.00 0.00 H new ATOM 0 HB2 ASN A 92 8.673 4.677 -14.905 1.00 0.00 H new ATOM 0 HB3 ASN A 92 8.333 4.420 -13.205 1.00 0.00 H new ATOM 0 HD21 ASN A 92 11.553 2.765 -13.624 1.00 0.00 H new ATOM 0 HD22 ASN A 92 10.849 4.377 -13.464 1.00 0.00 H new ATOM 1393 N LYS A 93 7.632 3.151 -16.896 1.00 0.00 N ATOM 1394 CA LYS A 93 7.816 2.514 -18.194 1.00 0.00 C ATOM 1395 C LYS A 93 8.665 1.253 -18.066 1.00 0.00 C ATOM 1396 O LYS A 93 8.412 0.251 -18.737 1.00 0.00 O ATOM 1397 CB LYS A 93 8.475 3.487 -19.175 1.00 0.00 C ATOM 1398 CG LYS A 93 9.929 3.784 -18.852 1.00 0.00 C ATOM 1399 CD LYS A 93 10.865 2.817 -19.556 1.00 0.00 C ATOM 1400 CE LYS A 93 10.950 3.109 -21.047 1.00 0.00 C ATOM 1401 NZ LYS A 93 11.343 1.903 -21.826 1.00 0.00 N ATOM 0 H LYS A 93 7.816 4.154 -16.890 1.00 0.00 H new ATOM 0 HA LYS A 93 6.834 2.233 -18.575 1.00 0.00 H new ATOM 0 HB2 LYS A 93 8.412 3.073 -20.181 1.00 0.00 H new ATOM 0 HB3 LYS A 93 7.914 4.422 -19.179 1.00 0.00 H new ATOM 0 HG2 LYS A 93 10.168 4.805 -19.150 1.00 0.00 H new ATOM 0 HG3 LYS A 93 10.083 3.722 -17.775 1.00 0.00 H new ATOM 0 HD2 LYS A 93 11.859 2.884 -19.114 1.00 0.00 H new ATOM 0 HD3 LYS A 93 10.517 1.796 -19.403 1.00 0.00 H new ATOM 0 HE2 LYS A 93 9.985 3.472 -21.402 1.00 0.00 H new ATOM 0 HE3 LYS A 93 11.674 3.905 -21.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 11.390 2.143 -22.837 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 12.275 1.571 -21.505 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 10.639 1.151 -21.681 1.00 0.00 H new ATOM 1415 N HIS A 94 9.671 1.308 -17.199 1.00 0.00 N ATOM 1416 CA HIS A 94 10.555 0.168 -16.981 1.00 0.00 C ATOM 1417 C HIS A 94 9.791 -1.005 -16.374 1.00 0.00 C ATOM 1418 O HIS A 94 9.568 -2.020 -17.032 1.00 0.00 O ATOM 1419 CB HIS A 94 11.715 0.564 -16.067 1.00 0.00 C ATOM 1420 CG HIS A 94 12.641 1.572 -16.676 1.00 0.00 C ATOM 1421 ND1 HIS A 94 13.222 1.407 -17.915 1.00 0.00 N ATOM 1422 CD2 HIS A 94 13.084 2.763 -16.209 1.00 0.00 C ATOM 1423 CE1 HIS A 94 13.984 2.452 -18.184 1.00 0.00 C ATOM 1424 NE2 HIS A 94 13.917 3.290 -17.165 1.00 0.00 N ATOM 0 H HIS A 94 9.894 2.129 -16.636 1.00 0.00 H new ATOM 0 HA HIS A 94 10.952 -0.142 -17.947 1.00 0.00 H new ATOM 0 HB2 HIS A 94 11.313 0.967 -15.138 1.00 0.00 H new ATOM 0 HB3 HIS A 94 12.283 -0.329 -15.808 1.00 0.00 H new ATOM 0 HD2 HIS A 94 12.830 3.214 -15.261 1.00 0.00 H new ATOM 0 HE1 HIS A 94 14.563 2.597 -19.084 1.00 0.00 H new ATOM 0 HE2 HIS A 94 14.405 4.183 -17.099 1.00 0.00 H new ATOM 1433 N GLY A 95 9.393 -0.857 -15.114 1.00 0.00 N ATOM 1434 CA GLY A 95 8.659 -1.912 -14.439 1.00 0.00 C ATOM 1435 C GLY A 95 8.393 -1.593 -12.982 1.00 0.00 C ATOM 1436 O GLY A 95 8.606 -0.471 -12.521 1.00 0.00 O ATOM 0 H GLY A 95 9.566 -0.026 -14.549 1.00 0.00 H new ATOM 0 HA2 GLY A 95 7.711 -2.075 -14.951 1.00 0.00 H new ATOM 0 HA3 GLY A 95 9.222 -2.843 -14.507 1.00 0.00 H new ATOM 1440 N PRO A 96 7.916 -2.596 -12.230 1.00 0.00 N ATOM 1441 CA PRO A 96 7.609 -2.440 -10.805 1.00 0.00 C ATOM 1442 C PRO A 96 8.865 -2.272 -9.957 1.00 0.00 C ATOM 1443 O PRO A 96 9.745 -3.131 -9.956 1.00 0.00 O ATOM 1444 CB PRO A 96 6.896 -3.748 -10.451 1.00 0.00 C ATOM 1445 CG PRO A 96 7.397 -4.735 -11.448 1.00 0.00 C ATOM 1446 CD PRO A 96 7.639 -3.959 -12.713 1.00 0.00 C ATOM 0 HA PRO A 96 7.014 -1.548 -10.611 1.00 0.00 H new ATOM 0 HB2 PRO A 96 7.127 -4.062 -9.433 1.00 0.00 H new ATOM 0 HB3 PRO A 96 5.813 -3.638 -10.513 1.00 0.00 H new ATOM 0 HG2 PRO A 96 8.314 -5.210 -11.100 1.00 0.00 H new ATOM 0 HG3 PRO A 96 6.669 -5.529 -11.611 1.00 0.00 H new ATOM 0 HD2 PRO A 96 8.479 -4.363 -13.278 1.00 0.00 H new ATOM 0 HD3 PRO A 96 6.771 -3.983 -13.371 1.00 0.00 H new ATOM 1454 N GLY A 97 8.941 -1.158 -9.234 1.00 0.00 N ATOM 1455 CA GLY A 97 10.093 -0.898 -8.391 1.00 0.00 C ATOM 1456 C GLY A 97 9.959 -1.525 -7.017 1.00 0.00 C ATOM 1457 O GLY A 97 9.233 -2.503 -6.840 1.00 0.00 O ATOM 0 H GLY A 97 8.225 -0.432 -9.217 1.00 0.00 H new ATOM 0 HA2 GLY A 97 10.989 -1.283 -8.877 1.00 0.00 H new ATOM 0 HA3 GLY A 97 10.226 0.179 -8.284 1.00 0.00 H new ATOM 1461 N VAL A 98 10.663 -0.961 -6.040 1.00 0.00 N ATOM 1462 CA VAL A 98 10.620 -1.470 -4.674 1.00 0.00 C ATOM 1463 C VAL A 98 9.198 -1.450 -4.125 1.00 0.00 C ATOM 1464 O VAL A 98 8.283 -0.928 -4.761 1.00 0.00 O ATOM 1465 CB VAL A 98 11.531 -0.651 -3.741 1.00 0.00 C ATOM 1466 CG1 VAL A 98 12.951 -0.608 -4.284 1.00 0.00 C ATOM 1467 CG2 VAL A 98 10.979 0.755 -3.557 1.00 0.00 C ATOM 0 H VAL A 98 11.270 -0.151 -6.169 1.00 0.00 H new ATOM 0 HA VAL A 98 10.979 -2.499 -4.708 1.00 0.00 H new ATOM 0 HB VAL A 98 11.555 -1.138 -2.766 1.00 0.00 H new ATOM 0 HG11 VAL A 98 13.580 -0.025 -3.611 1.00 0.00 H new ATOM 0 HG12 VAL A 98 13.343 -1.622 -4.359 1.00 0.00 H new ATOM 0 HG13 VAL A 98 12.949 -0.146 -5.271 1.00 0.00 H new ATOM 0 HG21 VAL A 98 11.635 1.320 -2.895 1.00 0.00 H new ATOM 0 HG22 VAL A 98 10.924 1.254 -4.525 1.00 0.00 H new ATOM 0 HG23 VAL A 98 9.982 0.700 -3.120 1.00 0.00 H new ATOM 1477 N SER A 99 9.020 -2.022 -2.938 1.00 0.00 N ATOM 1478 CA SER A 99 7.709 -2.073 -2.303 1.00 0.00 C ATOM 1479 C SER A 99 7.757 -1.461 -0.906 1.00 0.00 C ATOM 1480 O SER A 99 8.470 -1.947 -0.027 1.00 0.00 O ATOM 1481 CB SER A 99 7.213 -3.518 -2.223 1.00 0.00 C ATOM 1482 OG SER A 99 5.984 -3.598 -1.522 1.00 0.00 O ATOM 0 H SER A 99 9.768 -2.456 -2.397 1.00 0.00 H new ATOM 0 HA SER A 99 7.016 -1.492 -2.911 1.00 0.00 H new ATOM 0 HB2 SER A 99 7.088 -3.919 -3.229 1.00 0.00 H new ATOM 0 HB3 SER A 99 7.960 -4.135 -1.724 1.00 0.00 H new ATOM 0 HG SER A 99 6.128 -4.038 -0.658 1.00 0.00 H new ATOM 1488 N THR A 100 6.993 -0.392 -0.708 1.00 0.00 N ATOM 1489 CA THR A 100 6.948 0.288 0.580 1.00 0.00 C ATOM 1490 C THR A 100 6.666 -0.695 1.711 1.00 0.00 C ATOM 1491 O THR A 100 6.139 -1.787 1.499 1.00 0.00 O ATOM 1492 CB THR A 100 5.875 1.393 0.595 1.00 0.00 C ATOM 1493 OG1 THR A 100 4.756 1.000 -0.207 1.00 0.00 O ATOM 1494 CG2 THR A 100 6.442 2.705 0.076 1.00 0.00 C ATOM 0 H THR A 100 6.396 0.022 -1.424 1.00 0.00 H new ATOM 0 HA THR A 100 7.927 0.742 0.732 1.00 0.00 H new ATOM 0 HB THR A 100 5.550 1.539 1.625 1.00 0.00 H new ATOM 0 HG1 THR A 100 4.887 1.313 -1.127 1.00 0.00 H new ATOM 0 HG21 THR A 100 5.666 3.470 0.096 1.00 0.00 H new ATOM 0 HG22 THR A 100 7.275 3.016 0.707 1.00 0.00 H new ATOM 0 HG23 THR A 100 6.792 2.570 -0.947 1.00 0.00 H new ATOM 1502 N PRO A 101 7.023 -0.300 2.942 1.00 0.00 N ATOM 1503 CA PRO A 101 6.816 -1.132 4.131 1.00 0.00 C ATOM 1504 C PRO A 101 5.341 -1.266 4.495 1.00 0.00 C ATOM 1505 O PRO A 101 4.619 -0.272 4.574 1.00 0.00 O ATOM 1506 CB PRO A 101 7.571 -0.376 5.228 1.00 0.00 C ATOM 1507 CG PRO A 101 7.588 1.041 4.769 1.00 0.00 C ATOM 1508 CD PRO A 101 7.655 0.990 3.268 1.00 0.00 C ATOM 0 HA PRO A 101 7.165 -2.153 3.980 1.00 0.00 H new ATOM 0 HB2 PRO A 101 7.071 -0.474 6.192 1.00 0.00 H new ATOM 0 HB3 PRO A 101 8.582 -0.764 5.352 1.00 0.00 H new ATOM 0 HG2 PRO A 101 6.695 1.570 5.102 1.00 0.00 H new ATOM 0 HG3 PRO A 101 8.445 1.574 5.180 1.00 0.00 H new ATOM 0 HD2 PRO A 101 7.122 1.825 2.813 1.00 0.00 H new ATOM 0 HD3 PRO A 101 8.683 1.036 2.910 1.00 0.00 H new ATOM 1516 N ASP A 102 4.901 -2.500 4.717 1.00 0.00 N ATOM 1517 CA ASP A 102 3.512 -2.764 5.074 1.00 0.00 C ATOM 1518 C ASP A 102 3.008 -1.741 6.088 1.00 0.00 C ATOM 1519 O ASP A 102 3.712 -1.392 7.036 1.00 0.00 O ATOM 1520 CB ASP A 102 3.370 -4.176 5.643 1.00 0.00 C ATOM 1521 CG ASP A 102 4.326 -4.438 6.789 1.00 0.00 C ATOM 1522 OD1 ASP A 102 4.020 -4.020 7.926 1.00 0.00 O ATOM 1523 OD2 ASP A 102 5.381 -5.063 6.551 1.00 0.00 O ATOM 0 H ASP A 102 5.486 -3.333 4.656 1.00 0.00 H new ATOM 0 HA ASP A 102 2.908 -2.682 4.170 1.00 0.00 H new ATOM 0 HB2 ASP A 102 2.346 -4.325 5.987 1.00 0.00 H new ATOM 0 HB3 ASP A 102 3.549 -4.903 4.851 1.00 0.00 H new ATOM 1528 N VAL A 103 1.786 -1.262 5.880 1.00 0.00 N ATOM 1529 CA VAL A 103 1.187 -0.279 6.775 1.00 0.00 C ATOM 1530 C VAL A 103 -0.141 -0.780 7.332 1.00 0.00 C ATOM 1531 O VAL A 103 -1.209 -0.406 6.849 1.00 0.00 O ATOM 1532 CB VAL A 103 0.956 1.065 6.058 1.00 0.00 C ATOM 1533 CG1 VAL A 103 0.209 2.031 6.964 1.00 0.00 C ATOM 1534 CG2 VAL A 103 2.281 1.661 5.606 1.00 0.00 C ATOM 0 H VAL A 103 1.191 -1.539 5.099 1.00 0.00 H new ATOM 0 HA VAL A 103 1.888 -0.129 7.596 1.00 0.00 H new ATOM 0 HB VAL A 103 0.344 0.886 5.174 1.00 0.00 H new ATOM 0 HG11 VAL A 103 0.055 2.975 6.441 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -0.757 1.604 7.234 1.00 0.00 H new ATOM 0 HG13 VAL A 103 0.793 2.208 7.867 1.00 0.00 H new ATOM 0 HG21 VAL A 103 2.100 2.610 5.101 1.00 0.00 H new ATOM 0 HG22 VAL A 103 2.920 1.827 6.473 1.00 0.00 H new ATOM 0 HG23 VAL A 103 2.774 0.973 4.919 1.00 0.00 H new ATOM 1544 N ALA A 104 -0.065 -1.628 8.353 1.00 0.00 N ATOM 1545 CA ALA A 104 -1.261 -2.178 8.978 1.00 0.00 C ATOM 1546 C ALA A 104 -1.977 -1.125 9.817 1.00 0.00 C ATOM 1547 O ALA A 104 -1.357 -0.437 10.628 1.00 0.00 O ATOM 1548 CB ALA A 104 -0.902 -3.383 9.835 1.00 0.00 C ATOM 0 H ALA A 104 0.812 -1.948 8.764 1.00 0.00 H new ATOM 0 HA ALA A 104 -1.940 -2.497 8.187 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -1.805 -3.784 10.296 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -0.442 -4.149 9.211 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -0.201 -3.080 10.613 1.00 0.00 H new ATOM 1554 N VAL A 105 -3.285 -1.003 9.616 1.00 0.00 N ATOM 1555 CA VAL A 105 -4.085 -0.033 10.355 1.00 0.00 C ATOM 1556 C VAL A 105 -5.415 -0.636 10.792 1.00 0.00 C ATOM 1557 O VAL A 105 -5.994 -1.463 10.087 1.00 0.00 O ATOM 1558 CB VAL A 105 -4.357 1.228 9.513 1.00 0.00 C ATOM 1559 CG1 VAL A 105 -5.245 0.894 8.323 1.00 0.00 C ATOM 1560 CG2 VAL A 105 -4.987 2.315 10.370 1.00 0.00 C ATOM 0 H VAL A 105 -3.813 -1.564 8.948 1.00 0.00 H new ATOM 0 HA VAL A 105 -3.509 0.246 11.237 1.00 0.00 H new ATOM 0 HB VAL A 105 -3.406 1.602 9.133 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -5.426 1.797 7.740 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -4.751 0.151 7.697 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -6.195 0.495 8.679 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -5.172 3.198 9.759 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -5.930 1.954 10.781 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -4.311 2.573 11.185 1.00 0.00 H new ATOM 1570 N ARG A 106 -5.894 -0.217 11.958 1.00 0.00 N ATOM 1571 CA ARG A 106 -7.156 -0.716 12.490 1.00 0.00 C ATOM 1572 C ARG A 106 -8.292 0.262 12.204 1.00 0.00 C ATOM 1573 O ARG A 106 -8.202 1.447 12.529 1.00 0.00 O ATOM 1574 CB ARG A 106 -7.041 -0.955 13.997 1.00 0.00 C ATOM 1575 CG ARG A 106 -8.033 -1.976 14.529 1.00 0.00 C ATOM 1576 CD ARG A 106 -7.945 -2.100 16.042 1.00 0.00 C ATOM 1577 NE ARG A 106 -6.694 -2.721 16.469 1.00 0.00 N ATOM 1578 CZ ARG A 106 -6.412 -4.006 16.288 1.00 0.00 C ATOM 1579 NH1 ARG A 106 -7.288 -4.803 15.691 1.00 0.00 N ATOM 1580 NH2 ARG A 106 -5.252 -4.497 16.704 1.00 0.00 N ATOM 0 H ARG A 106 -5.427 0.467 12.553 1.00 0.00 H new ATOM 0 HA ARG A 106 -7.381 -1.661 11.996 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -6.029 -1.290 14.227 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -7.190 -0.010 14.519 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -9.044 -1.685 14.245 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -7.840 -2.946 14.071 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -8.031 -1.111 16.492 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -8.786 -2.690 16.407 1.00 0.00 H new ATOM 0 HE ARG A 106 -5.999 -2.136 16.932 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -8.181 -4.429 15.370 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -7.069 -5.790 15.553 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -4.576 -3.887 17.163 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -5.037 -5.484 16.564 1.00 0.00 H new ATOM 1594 N THR A 107 -9.360 -0.241 11.594 1.00 0.00 N ATOM 1595 CA THR A 107 -10.512 0.588 11.263 1.00 0.00 C ATOM 1596 C THR A 107 -11.332 0.912 12.506 1.00 0.00 C ATOM 1597 O THR A 107 -11.184 0.267 13.545 1.00 0.00 O ATOM 1598 CB THR A 107 -11.421 -0.101 10.228 1.00 0.00 C ATOM 1599 OG1 THR A 107 -11.805 -1.398 10.699 1.00 0.00 O ATOM 1600 CG2 THR A 107 -10.713 -0.233 8.888 1.00 0.00 C ATOM 0 H THR A 107 -9.451 -1.219 11.319 1.00 0.00 H new ATOM 0 HA THR A 107 -10.123 1.513 10.836 1.00 0.00 H new ATOM 0 HB THR A 107 -12.310 0.514 10.092 1.00 0.00 H new ATOM 0 HG1 THR A 107 -12.520 -1.754 10.131 1.00 0.00 H new ATOM 0 HG21 THR A 107 -11.375 -0.722 8.173 1.00 0.00 H new ATOM 0 HG22 THR A 107 -10.448 0.757 8.518 1.00 0.00 H new ATOM 0 HG23 THR A 107 -9.808 -0.828 9.012 1.00 0.00 H new ATOM 1608 N LEU A 108 -12.197 1.913 12.394 1.00 0.00 N ATOM 1609 CA LEU A 108 -13.043 2.323 13.511 1.00 0.00 C ATOM 1610 C LEU A 108 -14.090 1.258 13.820 1.00 0.00 C ATOM 1611 O LEU A 108 -14.589 0.584 12.919 1.00 0.00 O ATOM 1612 CB LEU A 108 -13.729 3.653 13.196 1.00 0.00 C ATOM 1613 CG LEU A 108 -12.822 4.770 12.677 1.00 0.00 C ATOM 1614 CD1 LEU A 108 -13.645 5.986 12.283 1.00 0.00 C ATOM 1615 CD2 LEU A 108 -11.783 5.143 13.725 1.00 0.00 C ATOM 0 H LEU A 108 -12.332 2.456 11.541 1.00 0.00 H new ATOM 0 HA LEU A 108 -12.409 2.448 14.388 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -14.508 3.471 12.455 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -14.225 4.006 14.100 1.00 0.00 H new ATOM 0 HG LEU A 108 -12.301 4.407 11.791 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -12.983 6.770 11.916 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -14.350 5.710 11.499 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -14.193 6.351 13.151 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -11.146 5.939 13.339 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -12.285 5.486 14.629 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -11.172 4.271 13.958 1.00 0.00 H new ATOM 1627 N SER A 109 -14.420 1.113 15.099 1.00 0.00 N ATOM 1628 CA SER A 109 -15.407 0.129 15.527 1.00 0.00 C ATOM 1629 C SER A 109 -16.761 0.789 15.771 1.00 0.00 C ATOM 1630 O SER A 109 -16.857 1.795 16.474 1.00 0.00 O ATOM 1631 CB SER A 109 -14.936 -0.578 16.800 1.00 0.00 C ATOM 1632 OG SER A 109 -15.893 -1.524 17.242 1.00 0.00 O ATOM 0 H SER A 109 -14.018 1.665 15.857 1.00 0.00 H new ATOM 0 HA SER A 109 -15.518 -0.607 14.731 1.00 0.00 H new ATOM 0 HB2 SER A 109 -13.986 -1.078 16.612 1.00 0.00 H new ATOM 0 HB3 SER A 109 -14.759 0.158 17.584 1.00 0.00 H new ATOM 0 HG SER A 109 -15.568 -1.963 18.055 1.00 0.00 H new