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 55 TYR OH : rot 86:sc= 1.2 USER MOD Set 1.2: A 64 GLN : amide:sc= 1.04 K(o=2.2,f=-1.6) USER MOD Set 2.1: A 54 TYR OH : rot 180:sc= 0.0763 USER MOD Set 2.2: A 91 TYR OH : rot -171:sc= 0.101 USER MOD Set 3.1: A 40 THR OG1 : rot 82:sc= 0.327 USER MOD Set 3.2: A 51 TYR OH : rot -74:sc= 0.131 USER MOD Set 3.3: A 71 HIS : no HD1:sc= 0.424 K(o=0.88,f=-4.3!) USER MOD Set 4.1: A 35 THR OG1 : rot 180:sc= 0.31 USER MOD Set 4.2: A 74 THR OG1 : rot -82:sc= 0.334 USER MOD Set 5.1: A 32 THR OG1 : rot 180:sc= 0 USER MOD Set 5.2: A 33 SER OG : rot -153:sc= 0.0887 USER MOD Set 5.3: A 76 ASN : amide:sc= 0.562 K(o=0.65,f=-0.2) USER MOD Single : A 23 ASN : amide:sc= -0.807 K(o=-0.81,f=-4!) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 29:sc= 0.0429 USER MOD Single : A 37 THR OG1 : rot -75:sc= 0.147 USER MOD Single : A 49 GLN : amide:sc= -0.563 K(o=-0.56,f=-1.9!) USER MOD Single : A 50 ASN : amide:sc= -0.786 X(o=-0.79,f=-0.56) USER MOD Single : A 52 LYS NZ :NH3+ -138:sc= -1.47 (180deg=-4.17!) USER MOD Single : A 56 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ -136:sc= 1.36 (180deg=-0.0859) USER MOD Single : A 60 THR OG1 : rot 99:sc= 0.126 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 58:sc= 1.22 USER MOD Single : A 72 SER OG : rot 31:sc= 0.649 USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ -173:sc= -1.5! (180deg=-1.64!) USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 THR OG1 : rot -160:sc= 0 USER MOD Single : A 84 TYR OH : rot 46:sc= 0.659 USER MOD Single : A 85 SER OG : rot -140:sc= -0.781 USER MOD Single : A 92 ASN : amide:sc= -7.2! C(o=-7.2!,f=-13!) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 HIS : no HD1:sc= -0.027 X(o=-0.027,f=-0.019) USER MOD Single : A 99 SER OG : rot -160:sc= 0 USER MOD Single : A 100 THR OG1 : rot -87:sc= 1.86 USER MOD Single : A 107 THR OG1 : rot 176:sc= 0.407 USER MOD Single : A 109 SER OG : rot 18:sc= 0.806! USER MOD ----------------------------------------------------------------- ATOM 214 N LEU A 17 15.043 2.191 -11.817 1.00 0.00 N ATOM 215 CA LEU A 17 13.692 2.025 -11.292 1.00 0.00 C ATOM 216 C LEU A 17 13.369 3.110 -10.269 1.00 0.00 C ATOM 217 O LEU A 17 14.256 3.761 -9.717 1.00 0.00 O ATOM 218 CB LEU A 17 13.538 0.644 -10.652 1.00 0.00 C ATOM 219 CG LEU A 17 13.061 -0.475 -11.578 1.00 0.00 C ATOM 220 CD1 LEU A 17 13.684 -0.329 -12.957 1.00 0.00 C ATOM 221 CD2 LEU A 17 13.389 -1.836 -10.983 1.00 0.00 C ATOM 0 HA LEU A 17 12.992 2.114 -12.123 1.00 0.00 H new ATOM 0 HB2 LEU A 17 14.499 0.353 -10.228 1.00 0.00 H new ATOM 0 HB3 LEU A 17 12.836 0.726 -9.823 1.00 0.00 H new ATOM 0 HG LEU A 17 11.979 -0.398 -11.682 1.00 0.00 H new ATOM 0 HD11 LEU A 17 13.333 -1.134 -13.602 1.00 0.00 H new ATOM 0 HD12 LEU A 17 13.397 0.631 -13.386 1.00 0.00 H new ATOM 0 HD13 LEU A 17 14.770 -0.379 -12.873 1.00 0.00 H new ATOM 0 HD21 LEU A 17 13.042 -2.620 -11.656 1.00 0.00 H new ATOM 0 HD22 LEU A 17 14.467 -1.924 -10.848 1.00 0.00 H new ATOM 0 HD23 LEU A 17 12.893 -1.940 -10.018 1.00 0.00 H new ATOM 233 N PRO A 18 12.068 3.310 -10.009 1.00 0.00 N ATOM 234 CA PRO A 18 11.598 4.314 -9.050 1.00 0.00 C ATOM 235 C PRO A 18 11.929 3.939 -7.610 1.00 0.00 C ATOM 236 O PRO A 18 12.425 2.846 -7.341 1.00 0.00 O ATOM 237 CB PRO A 18 10.082 4.326 -9.265 1.00 0.00 C ATOM 238 CG PRO A 18 9.765 2.976 -9.808 1.00 0.00 C ATOM 239 CD PRO A 18 10.957 2.571 -10.631 1.00 0.00 C ATOM 0 HA PRO A 18 12.073 5.283 -9.207 1.00 0.00 H new ATOM 0 HB2 PRO A 18 9.551 4.512 -8.331 1.00 0.00 H new ATOM 0 HB3 PRO A 18 9.787 5.112 -9.961 1.00 0.00 H new ATOM 0 HG2 PRO A 18 9.586 2.263 -9.003 1.00 0.00 H new ATOM 0 HG3 PRO A 18 8.861 3.002 -10.417 1.00 0.00 H new ATOM 0 HD2 PRO A 18 11.122 1.494 -10.597 1.00 0.00 H new ATOM 0 HD3 PRO A 18 10.832 2.841 -11.680 1.00 0.00 H new ATOM 247 N GLY A 19 11.651 4.854 -6.686 1.00 0.00 N ATOM 248 CA GLY A 19 11.926 4.600 -5.284 1.00 0.00 C ATOM 249 C GLY A 19 10.663 4.370 -4.478 1.00 0.00 C ATOM 250 O GLY A 19 9.547 4.543 -4.969 1.00 0.00 O ATOM 0 H GLY A 19 11.240 5.767 -6.884 1.00 0.00 H new ATOM 0 HA2 GLY A 19 12.573 3.727 -5.196 1.00 0.00 H new ATOM 0 HA3 GLY A 19 12.472 5.445 -4.865 1.00 0.00 H new ATOM 254 N PRO A 20 10.831 3.967 -3.209 1.00 0.00 N ATOM 255 CA PRO A 20 9.706 3.703 -2.307 1.00 0.00 C ATOM 256 C PRO A 20 8.971 4.977 -1.908 1.00 0.00 C ATOM 257 O PRO A 20 9.568 5.905 -1.364 1.00 0.00 O ATOM 258 CB PRO A 20 10.373 3.066 -1.086 1.00 0.00 C ATOM 259 CG PRO A 20 11.772 3.580 -1.107 1.00 0.00 C ATOM 260 CD PRO A 20 12.132 3.740 -2.558 1.00 0.00 C ATOM 0 HA PRO A 20 8.949 3.073 -2.774 1.00 0.00 H new ATOM 0 HB2 PRO A 20 9.862 3.346 -0.165 1.00 0.00 H new ATOM 0 HB3 PRO A 20 10.350 1.978 -1.145 1.00 0.00 H new ATOM 0 HG2 PRO A 20 11.846 4.531 -0.579 1.00 0.00 H new ATOM 0 HG3 PRO A 20 12.450 2.886 -0.611 1.00 0.00 H new ATOM 0 HD2 PRO A 20 12.811 4.578 -2.714 1.00 0.00 H new ATOM 0 HD3 PRO A 20 12.628 2.852 -2.949 1.00 0.00 H new ATOM 268 N ALA A 21 7.671 5.015 -2.182 1.00 0.00 N ATOM 269 CA ALA A 21 6.853 6.176 -1.850 1.00 0.00 C ATOM 270 C ALA A 21 7.048 6.585 -0.394 1.00 0.00 C ATOM 271 O ALA A 21 6.579 5.921 0.531 1.00 0.00 O ATOM 272 CB ALA A 21 5.386 5.884 -2.126 1.00 0.00 C ATOM 0 H ALA A 21 7.161 4.255 -2.633 1.00 0.00 H new ATOM 0 HA ALA A 21 7.171 7.007 -2.480 1.00 0.00 H new ATOM 0 HB1 ALA A 21 4.787 6.759 -1.874 1.00 0.00 H new ATOM 0 HB2 ALA A 21 5.255 5.646 -3.182 1.00 0.00 H new ATOM 0 HB3 ALA A 21 5.063 5.037 -1.521 1.00 0.00 H new ATOM 278 N PRO A 22 7.756 7.704 -0.182 1.00 0.00 N ATOM 279 CA PRO A 22 8.029 8.227 1.160 1.00 0.00 C ATOM 280 C PRO A 22 6.777 8.775 1.834 1.00 0.00 C ATOM 281 O PRO A 22 5.677 8.685 1.289 1.00 0.00 O ATOM 282 CB PRO A 22 9.035 9.352 0.905 1.00 0.00 C ATOM 283 CG PRO A 22 8.774 9.782 -0.497 1.00 0.00 C ATOM 284 CD PRO A 22 8.345 8.546 -1.237 1.00 0.00 C ATOM 0 HA PRO A 22 8.397 7.452 1.832 1.00 0.00 H new ATOM 0 HB2 PRO A 22 8.894 10.176 1.605 1.00 0.00 H new ATOM 0 HB3 PRO A 22 10.060 9.002 1.028 1.00 0.00 H new ATOM 0 HG2 PRO A 22 7.998 10.547 -0.532 1.00 0.00 H new ATOM 0 HG3 PRO A 22 9.669 10.214 -0.945 1.00 0.00 H new ATOM 0 HD2 PRO A 22 7.621 8.776 -2.018 1.00 0.00 H new ATOM 0 HD3 PRO A 22 9.189 8.053 -1.720 1.00 0.00 H new ATOM 292 N ASN A 23 6.951 9.344 3.023 1.00 0.00 N ATOM 293 CA ASN A 23 5.833 9.907 3.771 1.00 0.00 C ATOM 294 C ASN A 23 4.593 9.027 3.643 1.00 0.00 C ATOM 295 O ASN A 23 3.486 9.523 3.428 1.00 0.00 O ATOM 296 CB ASN A 23 5.522 11.321 3.277 1.00 0.00 C ATOM 297 CG ASN A 23 6.725 12.241 3.360 1.00 0.00 C ATOM 298 OD1 ASN A 23 7.092 12.892 2.382 1.00 0.00 O ATOM 299 ND2 ASN A 23 7.347 12.297 4.532 1.00 0.00 N ATOM 0 H ASN A 23 7.855 9.427 3.488 1.00 0.00 H new ATOM 0 HA ASN A 23 6.118 9.951 4.822 1.00 0.00 H new ATOM 0 HB2 ASN A 23 5.175 11.274 2.245 1.00 0.00 H new ATOM 0 HB3 ASN A 23 4.707 11.739 3.869 1.00 0.00 H new ATOM 0 HD21 ASN A 23 8.164 12.897 4.648 1.00 0.00 H new ATOM 0 HD22 ASN A 23 7.008 11.740 5.316 1.00 0.00 H new ATOM 306 N LEU A 24 4.787 7.720 3.776 1.00 0.00 N ATOM 307 CA LEU A 24 3.684 6.770 3.675 1.00 0.00 C ATOM 308 C LEU A 24 2.855 6.759 4.956 1.00 0.00 C ATOM 309 O LEU A 24 3.265 6.190 5.967 1.00 0.00 O ATOM 310 CB LEU A 24 4.220 5.365 3.390 1.00 0.00 C ATOM 311 CG LEU A 24 3.178 4.316 3.001 1.00 0.00 C ATOM 312 CD1 LEU A 24 2.335 4.807 1.835 1.00 0.00 C ATOM 313 CD2 LEU A 24 3.854 2.996 2.656 1.00 0.00 C ATOM 0 H LEU A 24 5.696 7.294 3.954 1.00 0.00 H new ATOM 0 HA LEU A 24 3.042 7.083 2.851 1.00 0.00 H new ATOM 0 HB2 LEU A 24 4.954 5.434 2.587 1.00 0.00 H new ATOM 0 HB3 LEU A 24 4.748 5.013 4.276 1.00 0.00 H new ATOM 0 HG LEU A 24 2.519 4.152 3.854 1.00 0.00 H new ATOM 0 HD11 LEU A 24 1.599 4.047 1.573 1.00 0.00 H new ATOM 0 HD12 LEU A 24 1.822 5.726 2.118 1.00 0.00 H new ATOM 0 HD13 LEU A 24 2.979 5.001 0.977 1.00 0.00 H new ATOM 0 HD21 LEU A 24 3.098 2.261 2.381 1.00 0.00 H new ATOM 0 HD22 LEU A 24 4.536 3.144 1.819 1.00 0.00 H new ATOM 0 HD23 LEU A 24 4.413 2.637 3.520 1.00 0.00 H new ATOM 325 N ARG A 25 1.687 7.391 4.903 1.00 0.00 N ATOM 326 CA ARG A 25 0.800 7.454 6.058 1.00 0.00 C ATOM 327 C ARG A 25 -0.630 7.097 5.665 1.00 0.00 C ATOM 328 O ARG A 25 -1.121 7.521 4.620 1.00 0.00 O ATOM 329 CB ARG A 25 0.836 8.851 6.680 1.00 0.00 C ATOM 330 CG ARG A 25 1.218 9.946 5.697 1.00 0.00 C ATOM 331 CD ARG A 25 1.704 11.195 6.415 1.00 0.00 C ATOM 332 NE ARG A 25 0.764 11.637 7.442 1.00 0.00 N ATOM 333 CZ ARG A 25 0.760 12.861 7.957 1.00 0.00 C ATOM 334 NH1 ARG A 25 1.641 13.761 7.543 1.00 0.00 N ATOM 335 NH2 ARG A 25 -0.127 13.188 8.888 1.00 0.00 N ATOM 0 H ARG A 25 1.333 7.866 4.073 1.00 0.00 H new ATOM 0 HA ARG A 25 1.149 6.728 6.792 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -0.144 9.078 7.100 1.00 0.00 H new ATOM 0 HB3 ARG A 25 1.546 8.853 7.507 1.00 0.00 H new ATOM 0 HG2 ARG A 25 1.999 9.581 5.030 1.00 0.00 H new ATOM 0 HG3 ARG A 25 0.358 10.194 5.075 1.00 0.00 H new ATOM 0 HD2 ARG A 25 2.673 10.996 6.872 1.00 0.00 H new ATOM 0 HD3 ARG A 25 1.852 11.996 5.690 1.00 0.00 H new ATOM 0 HE ARG A 25 0.073 10.969 7.782 1.00 0.00 H new ATOM 0 HH11 ARG A 25 2.324 13.514 6.827 1.00 0.00 H new ATOM 0 HH12 ARG A 25 1.636 14.700 7.940 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -0.807 12.499 9.209 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -0.129 14.129 9.283 1.00 0.00 H new ATOM 349 N ALA A 26 -1.293 6.314 6.511 1.00 0.00 N ATOM 350 CA ALA A 26 -2.667 5.902 6.253 1.00 0.00 C ATOM 351 C ALA A 26 -3.540 6.100 7.487 1.00 0.00 C ATOM 352 O ALA A 26 -3.157 5.729 8.597 1.00 0.00 O ATOM 353 CB ALA A 26 -2.706 4.449 5.803 1.00 0.00 C ATOM 0 H ALA A 26 -0.900 5.953 7.380 1.00 0.00 H new ATOM 0 HA ALA A 26 -3.065 6.529 5.455 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -3.738 4.154 5.614 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -2.123 4.335 4.889 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -2.285 3.815 6.583 1.00 0.00 H new ATOM 359 N TYR A 27 -4.715 6.686 7.286 1.00 0.00 N ATOM 360 CA TYR A 27 -5.642 6.936 8.384 1.00 0.00 C ATOM 361 C TYR A 27 -7.053 6.487 8.018 1.00 0.00 C ATOM 362 O TYR A 27 -7.555 6.796 6.938 1.00 0.00 O ATOM 363 CB TYR A 27 -5.646 8.422 8.747 1.00 0.00 C ATOM 364 CG TYR A 27 -5.872 9.334 7.563 1.00 0.00 C ATOM 365 CD1 TYR A 27 -7.158 9.657 7.146 1.00 0.00 C ATOM 366 CD2 TYR A 27 -4.802 9.873 6.861 1.00 0.00 C ATOM 367 CE1 TYR A 27 -7.370 10.489 6.064 1.00 0.00 C ATOM 368 CE2 TYR A 27 -5.004 10.708 5.779 1.00 0.00 C ATOM 369 CZ TYR A 27 -6.290 11.013 5.384 1.00 0.00 C ATOM 370 OH TYR A 27 -6.496 11.843 4.306 1.00 0.00 O ATOM 0 H TYR A 27 -5.048 6.997 6.373 1.00 0.00 H new ATOM 0 HA TYR A 27 -5.309 6.359 9.246 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -6.424 8.604 9.489 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -4.694 8.676 9.214 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -8.006 9.250 7.677 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -3.794 9.635 7.166 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -8.376 10.728 5.752 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -4.160 11.120 5.246 1.00 0.00 H new ATOM 0 HH TYR A 27 -5.632 12.126 3.941 1.00 0.00 H new ATOM 380 N ALA A 28 -7.688 5.755 8.928 1.00 0.00 N ATOM 381 CA ALA A 28 -9.042 5.264 8.704 1.00 0.00 C ATOM 382 C ALA A 28 -10.066 6.382 8.873 1.00 0.00 C ATOM 383 O ALA A 28 -10.250 6.907 9.971 1.00 0.00 O ATOM 384 CB ALA A 28 -9.351 4.115 9.652 1.00 0.00 C ATOM 0 H ALA A 28 -7.286 5.489 9.827 1.00 0.00 H new ATOM 0 HA ALA A 28 -9.105 4.901 7.678 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -10.365 3.759 9.473 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -8.645 3.302 9.481 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -9.264 4.460 10.682 1.00 0.00 H new ATOM 390 N ALA A 29 -10.729 6.741 7.779 1.00 0.00 N ATOM 391 CA ALA A 29 -11.735 7.795 7.807 1.00 0.00 C ATOM 392 C ALA A 29 -13.068 7.269 8.330 1.00 0.00 C ATOM 393 O ALA A 29 -13.860 8.018 8.901 1.00 0.00 O ATOM 394 CB ALA A 29 -11.910 8.395 6.420 1.00 0.00 C ATOM 0 H ALA A 29 -10.587 6.317 6.862 1.00 0.00 H new ATOM 0 HA ALA A 29 -11.390 8.574 8.487 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -12.664 9.181 6.456 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -10.963 8.817 6.084 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -12.228 7.618 5.725 1.00 0.00 H new ATOM 400 N SER A 30 -13.308 5.977 8.130 1.00 0.00 N ATOM 401 CA SER A 30 -14.547 5.352 8.578 1.00 0.00 C ATOM 402 C SER A 30 -14.303 3.908 9.006 1.00 0.00 C ATOM 403 O SER A 30 -13.303 3.287 8.644 1.00 0.00 O ATOM 404 CB SER A 30 -15.596 5.396 7.465 1.00 0.00 C ATOM 405 OG SER A 30 -16.344 6.598 7.516 1.00 0.00 O ATOM 0 H SER A 30 -12.661 5.343 7.661 1.00 0.00 H new ATOM 0 HA SER A 30 -14.917 5.910 9.438 1.00 0.00 H new ATOM 0 HB2 SER A 30 -15.106 5.310 6.495 1.00 0.00 H new ATOM 0 HB3 SER A 30 -16.267 4.542 7.560 1.00 0.00 H new ATOM 0 HG SER A 30 -15.793 7.310 7.903 1.00 0.00 H new ATOM 411 N PRO A 31 -15.237 3.360 9.797 1.00 0.00 N ATOM 412 CA PRO A 31 -15.148 1.983 10.292 1.00 0.00 C ATOM 413 C PRO A 31 -15.343 0.955 9.183 1.00 0.00 C ATOM 414 O PRO A 31 -15.144 -0.243 9.390 1.00 0.00 O ATOM 415 CB PRO A 31 -16.289 1.897 11.308 1.00 0.00 C ATOM 416 CG PRO A 31 -17.268 2.929 10.867 1.00 0.00 C ATOM 417 CD PRO A 31 -16.454 4.043 10.268 1.00 0.00 C ATOM 0 HA PRO A 31 -14.167 1.764 10.713 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -16.738 0.904 11.316 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -15.934 2.095 12.319 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -17.965 2.519 10.136 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -17.862 3.288 11.708 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -16.983 4.532 9.450 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -16.223 4.813 11.004 1.00 0.00 H new ATOM 425 N THR A 32 -15.733 1.429 8.004 1.00 0.00 N ATOM 426 CA THR A 32 -15.955 0.551 6.863 1.00 0.00 C ATOM 427 C THR A 32 -15.140 1.000 5.656 1.00 0.00 C ATOM 428 O THR A 32 -15.207 0.392 4.588 1.00 0.00 O ATOM 429 CB THR A 32 -17.444 0.503 6.472 1.00 0.00 C ATOM 430 OG1 THR A 32 -17.823 1.727 5.834 1.00 0.00 O ATOM 431 CG2 THR A 32 -18.317 0.271 7.697 1.00 0.00 C ATOM 0 H THR A 32 -15.902 2.417 7.815 1.00 0.00 H new ATOM 0 HA THR A 32 -15.633 -0.446 7.165 1.00 0.00 H new ATOM 0 HB THR A 32 -17.589 -0.326 5.779 1.00 0.00 H new ATOM 0 HG1 THR A 32 -18.771 1.687 5.587 1.00 0.00 H new ATOM 0 HG21 THR A 32 -19.364 0.241 7.397 1.00 0.00 H new ATOM 0 HG22 THR A 32 -18.046 -0.676 8.163 1.00 0.00 H new ATOM 0 HG23 THR A 32 -18.167 1.082 8.410 1.00 0.00 H new ATOM 439 N SER A 33 -14.369 2.069 5.833 1.00 0.00 N ATOM 440 CA SER A 33 -13.542 2.602 4.756 1.00 0.00 C ATOM 441 C SER A 33 -12.255 3.207 5.308 1.00 0.00 C ATOM 442 O SER A 33 -12.229 3.721 6.427 1.00 0.00 O ATOM 443 CB SER A 33 -14.317 3.657 3.964 1.00 0.00 C ATOM 444 OG SER A 33 -15.546 3.137 3.488 1.00 0.00 O ATOM 0 H SER A 33 -14.300 2.583 6.712 1.00 0.00 H new ATOM 0 HA SER A 33 -13.280 1.779 4.091 1.00 0.00 H new ATOM 0 HB2 SER A 33 -14.506 4.524 4.596 1.00 0.00 H new ATOM 0 HB3 SER A 33 -13.714 4.001 3.123 1.00 0.00 H new ATOM 0 HG SER A 33 -15.809 3.613 2.673 1.00 0.00 H new ATOM 450 N ILE A 34 -11.191 3.142 4.516 1.00 0.00 N ATOM 451 CA ILE A 34 -9.901 3.685 4.924 1.00 0.00 C ATOM 452 C ILE A 34 -9.316 4.585 3.842 1.00 0.00 C ATOM 453 O ILE A 34 -9.524 4.359 2.649 1.00 0.00 O ATOM 454 CB ILE A 34 -8.894 2.563 5.243 1.00 0.00 C ATOM 455 CG1 ILE A 34 -9.405 1.704 6.401 1.00 0.00 C ATOM 456 CG2 ILE A 34 -7.532 3.154 5.575 1.00 0.00 C ATOM 457 CD1 ILE A 34 -8.658 0.398 6.559 1.00 0.00 C ATOM 0 H ILE A 34 -11.196 2.719 3.588 1.00 0.00 H new ATOM 0 HA ILE A 34 -10.077 4.272 5.825 1.00 0.00 H new ATOM 0 HB ILE A 34 -8.788 1.928 4.364 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -9.326 2.273 7.327 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -10.463 1.492 6.246 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -6.831 2.350 5.798 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -7.167 3.728 4.723 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -7.621 3.809 6.442 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -9.073 -0.159 7.399 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -8.758 -0.191 5.647 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -7.604 0.602 6.745 1.00 0.00 H new ATOM 469 N THR A 35 -8.580 5.608 4.265 1.00 0.00 N ATOM 470 CA THR A 35 -7.963 6.544 3.332 1.00 0.00 C ATOM 471 C THR A 35 -6.443 6.489 3.424 1.00 0.00 C ATOM 472 O THR A 35 -5.839 7.126 4.288 1.00 0.00 O ATOM 473 CB THR A 35 -8.431 7.988 3.594 1.00 0.00 C ATOM 474 OG1 THR A 35 -9.820 8.118 3.275 1.00 0.00 O ATOM 475 CG2 THR A 35 -7.621 8.976 2.769 1.00 0.00 C ATOM 0 H THR A 35 -8.396 5.810 5.248 1.00 0.00 H new ATOM 0 HA THR A 35 -8.274 6.245 2.331 1.00 0.00 H new ATOM 0 HB THR A 35 -8.280 8.210 4.650 1.00 0.00 H new ATOM 0 HG1 THR A 35 -10.110 9.038 3.446 1.00 0.00 H new ATOM 0 HG21 THR A 35 -7.969 9.989 2.970 1.00 0.00 H new ATOM 0 HG22 THR A 35 -6.567 8.895 3.035 1.00 0.00 H new ATOM 0 HG23 THR A 35 -7.746 8.753 1.709 1.00 0.00 H new ATOM 483 N VAL A 36 -5.827 5.725 2.528 1.00 0.00 N ATOM 484 CA VAL A 36 -4.376 5.589 2.506 1.00 0.00 C ATOM 485 C VAL A 36 -3.728 6.732 1.732 1.00 0.00 C ATOM 486 O VAL A 36 -4.211 7.132 0.673 1.00 0.00 O ATOM 487 CB VAL A 36 -3.946 4.250 1.878 1.00 0.00 C ATOM 488 CG1 VAL A 36 -2.451 4.033 2.053 1.00 0.00 C ATOM 489 CG2 VAL A 36 -4.735 3.100 2.486 1.00 0.00 C ATOM 0 H VAL A 36 -6.311 5.190 1.807 1.00 0.00 H new ATOM 0 HA VAL A 36 -4.040 5.620 3.543 1.00 0.00 H new ATOM 0 HB VAL A 36 -4.161 4.284 0.810 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -2.166 3.082 1.603 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -1.906 4.842 1.566 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -2.207 4.019 3.115 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -4.419 2.161 2.031 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -4.554 3.062 3.560 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -5.799 3.252 2.303 1.00 0.00 H new ATOM 499 N THR A 37 -2.629 7.254 2.268 1.00 0.00 N ATOM 500 CA THR A 37 -1.914 8.351 1.629 1.00 0.00 C ATOM 501 C THR A 37 -0.433 8.026 1.473 1.00 0.00 C ATOM 502 O THR A 37 0.114 7.210 2.215 1.00 0.00 O ATOM 503 CB THR A 37 -2.060 9.659 2.430 1.00 0.00 C ATOM 504 OG1 THR A 37 -1.017 9.754 3.406 1.00 0.00 O ATOM 505 CG2 THR A 37 -3.414 9.723 3.120 1.00 0.00 C ATOM 0 H THR A 37 -2.215 6.934 3.144 1.00 0.00 H new ATOM 0 HA THR A 37 -2.359 8.486 0.643 1.00 0.00 H new ATOM 0 HB THR A 37 -1.984 10.495 1.735 1.00 0.00 H new ATOM 0 HG1 THR A 37 -1.209 9.145 4.150 1.00 0.00 H new ATOM 0 HG21 THR A 37 -3.494 10.655 3.679 1.00 0.00 H new ATOM 0 HG22 THR A 37 -4.206 9.680 2.372 1.00 0.00 H new ATOM 0 HG23 THR A 37 -3.514 8.880 3.804 1.00 0.00 H new ATOM 513 N TRP A 38 0.210 8.670 0.506 1.00 0.00 N ATOM 514 CA TRP A 38 1.630 8.449 0.254 1.00 0.00 C ATOM 515 C TRP A 38 2.219 9.586 -0.573 1.00 0.00 C ATOM 516 O TRP A 38 1.491 10.329 -1.230 1.00 0.00 O ATOM 517 CB TRP A 38 1.840 7.116 -0.466 1.00 0.00 C ATOM 518 CG TRP A 38 1.128 7.033 -1.782 1.00 0.00 C ATOM 519 CD1 TRP A 38 1.615 7.406 -3.002 1.00 0.00 C ATOM 520 CD2 TRP A 38 -0.200 6.548 -2.009 1.00 0.00 C ATOM 521 NE1 TRP A 38 0.669 7.182 -3.974 1.00 0.00 N ATOM 522 CE2 TRP A 38 -0.452 6.656 -3.391 1.00 0.00 C ATOM 523 CE3 TRP A 38 -1.200 6.032 -1.180 1.00 0.00 C ATOM 524 CZ2 TRP A 38 -1.663 6.267 -3.959 1.00 0.00 C ATOM 525 CZ3 TRP A 38 -2.401 5.647 -1.745 1.00 0.00 C ATOM 526 CH2 TRP A 38 -2.624 5.765 -3.123 1.00 0.00 C ATOM 0 H TRP A 38 -0.228 9.349 -0.116 1.00 0.00 H new ATOM 0 HA TRP A 38 2.144 8.419 1.215 1.00 0.00 H new ATOM 0 HB2 TRP A 38 2.907 6.963 -0.628 1.00 0.00 H new ATOM 0 HB3 TRP A 38 1.496 6.306 0.177 1.00 0.00 H new ATOM 0 HD1 TRP A 38 2.598 7.816 -3.177 1.00 0.00 H new ATOM 0 HE1 TRP A 38 0.784 7.376 -4.969 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -1.037 5.936 -0.117 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -1.838 6.358 -5.021 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -3.181 5.248 -1.113 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -3.573 5.454 -3.534 1.00 0.00 H new ATOM 537 N GLU A 39 3.542 9.714 -0.537 1.00 0.00 N ATOM 538 CA GLU A 39 4.228 10.762 -1.284 1.00 0.00 C ATOM 539 C GLU A 39 4.975 10.178 -2.480 1.00 0.00 C ATOM 540 O GLU A 39 5.182 8.967 -2.567 1.00 0.00 O ATOM 541 CB GLU A 39 5.204 11.512 -0.375 1.00 0.00 C ATOM 542 CG GLU A 39 4.568 12.668 0.379 1.00 0.00 C ATOM 543 CD GLU A 39 3.876 13.654 -0.541 1.00 0.00 C ATOM 544 OE1 GLU A 39 4.228 13.698 -1.738 1.00 0.00 O ATOM 545 OE2 GLU A 39 2.982 14.384 -0.063 1.00 0.00 O ATOM 0 H GLU A 39 4.159 9.106 0.001 1.00 0.00 H new ATOM 0 HA GLU A 39 3.477 11.461 -1.653 1.00 0.00 H new ATOM 0 HB2 GLU A 39 5.630 10.811 0.343 1.00 0.00 H new ATOM 0 HB3 GLU A 39 6.029 11.892 -0.977 1.00 0.00 H new ATOM 0 HG2 GLU A 39 3.845 12.276 1.095 1.00 0.00 H new ATOM 0 HG3 GLU A 39 5.335 13.189 0.953 1.00 0.00 H new ATOM 552 N THR A 40 5.378 11.048 -3.401 1.00 0.00 N ATOM 553 CA THR A 40 6.100 10.620 -4.592 1.00 0.00 C ATOM 554 C THR A 40 7.597 10.523 -4.322 1.00 0.00 C ATOM 555 O THR A 40 8.208 11.421 -3.743 1.00 0.00 O ATOM 556 CB THR A 40 5.864 11.584 -5.769 1.00 0.00 C ATOM 557 OG1 THR A 40 4.479 11.585 -6.132 1.00 0.00 O ATOM 558 CG2 THR A 40 6.708 11.188 -6.972 1.00 0.00 C ATOM 0 H THR A 40 5.216 12.054 -3.344 1.00 0.00 H new ATOM 0 HA THR A 40 5.716 9.635 -4.857 1.00 0.00 H new ATOM 0 HB THR A 40 6.157 12.585 -5.453 1.00 0.00 H new ATOM 0 HG1 THR A 40 3.984 12.181 -5.532 1.00 0.00 H new ATOM 0 HG21 THR A 40 6.524 11.884 -7.791 1.00 0.00 H new ATOM 0 HG22 THR A 40 7.763 11.217 -6.701 1.00 0.00 H new ATOM 0 HG23 THR A 40 6.442 10.179 -7.287 1.00 0.00 H new ATOM 566 N PRO A 41 8.206 9.407 -4.751 1.00 0.00 N ATOM 567 CA PRO A 41 9.640 9.167 -4.568 1.00 0.00 C ATOM 568 C PRO A 41 10.497 10.084 -5.433 1.00 0.00 C ATOM 569 O PRO A 41 10.352 10.115 -6.655 1.00 0.00 O ATOM 570 CB PRO A 41 9.814 7.709 -4.999 1.00 0.00 C ATOM 571 CG PRO A 41 8.688 7.456 -5.941 1.00 0.00 C ATOM 572 CD PRO A 41 7.541 8.294 -5.449 1.00 0.00 C ATOM 0 HA PRO A 41 9.958 9.364 -3.544 1.00 0.00 H new ATOM 0 HB2 PRO A 41 10.778 7.551 -5.483 1.00 0.00 H new ATOM 0 HB3 PRO A 41 9.773 7.035 -4.143 1.00 0.00 H new ATOM 0 HG2 PRO A 41 8.962 7.730 -6.960 1.00 0.00 H new ATOM 0 HG3 PRO A 41 8.421 6.399 -5.956 1.00 0.00 H new ATOM 0 HD2 PRO A 41 6.921 8.649 -6.272 1.00 0.00 H new ATOM 0 HD3 PRO A 41 6.890 7.731 -4.780 1.00 0.00 H new ATOM 580 N VAL A 42 11.391 10.830 -4.792 1.00 0.00 N ATOM 581 CA VAL A 42 12.273 11.748 -5.504 1.00 0.00 C ATOM 582 C VAL A 42 13.371 10.992 -6.243 1.00 0.00 C ATOM 583 O VAL A 42 14.062 11.554 -7.093 1.00 0.00 O ATOM 584 CB VAL A 42 12.920 12.763 -4.543 1.00 0.00 C ATOM 585 CG1 VAL A 42 11.854 13.496 -3.743 1.00 0.00 C ATOM 586 CG2 VAL A 42 13.908 12.067 -3.620 1.00 0.00 C ATOM 0 H VAL A 42 11.524 10.817 -3.781 1.00 0.00 H new ATOM 0 HA VAL A 42 11.657 12.284 -6.225 1.00 0.00 H new ATOM 0 HB VAL A 42 13.466 13.499 -5.133 1.00 0.00 H new ATOM 0 HG11 VAL A 42 12.330 14.209 -3.070 1.00 0.00 H new ATOM 0 HG12 VAL A 42 11.190 14.028 -4.424 1.00 0.00 H new ATOM 0 HG13 VAL A 42 11.277 12.777 -3.161 1.00 0.00 H new ATOM 0 HG21 VAL A 42 14.356 12.799 -2.948 1.00 0.00 H new ATOM 0 HG22 VAL A 42 13.388 11.308 -3.036 1.00 0.00 H new ATOM 0 HG23 VAL A 42 14.690 11.594 -4.214 1.00 0.00 H new ATOM 650 N ILE A 48 6.291 7.525 -13.382 1.00 0.00 N ATOM 651 CA ILE A 48 5.343 6.557 -12.845 1.00 0.00 C ATOM 652 C ILE A 48 4.107 6.448 -13.732 1.00 0.00 C ATOM 653 O ILE A 48 3.257 7.338 -13.739 1.00 0.00 O ATOM 654 CB ILE A 48 4.904 6.931 -11.417 1.00 0.00 C ATOM 655 CG1 ILE A 48 6.122 7.294 -10.564 1.00 0.00 C ATOM 656 CG2 ILE A 48 4.130 5.785 -10.783 1.00 0.00 C ATOM 657 CD1 ILE A 48 7.226 6.262 -10.618 1.00 0.00 C ATOM 0 HA ILE A 48 5.855 5.595 -12.819 1.00 0.00 H new ATOM 0 HB ILE A 48 4.249 7.800 -11.471 1.00 0.00 H new ATOM 0 HG12 ILE A 48 6.516 8.254 -10.898 1.00 0.00 H new ATOM 0 HG13 ILE A 48 5.805 7.422 -9.529 1.00 0.00 H new ATOM 0 HG21 ILE A 48 3.827 6.065 -9.774 1.00 0.00 H new ATOM 0 HG22 ILE A 48 3.245 5.569 -11.381 1.00 0.00 H new ATOM 0 HG23 ILE A 48 4.763 4.899 -10.739 1.00 0.00 H new ATOM 0 HD11 ILE A 48 8.057 6.585 -9.991 1.00 0.00 H new ATOM 0 HD12 ILE A 48 6.848 5.306 -10.256 1.00 0.00 H new ATOM 0 HD13 ILE A 48 7.570 6.151 -11.646 1.00 0.00 H new ATOM 669 N GLN A 49 4.015 5.352 -14.477 1.00 0.00 N ATOM 670 CA GLN A 49 2.882 5.127 -15.367 1.00 0.00 C ATOM 671 C GLN A 49 1.574 5.085 -14.584 1.00 0.00 C ATOM 672 O GLN A 49 0.550 5.590 -15.041 1.00 0.00 O ATOM 673 CB GLN A 49 3.068 3.821 -16.143 1.00 0.00 C ATOM 674 CG GLN A 49 4.184 3.879 -17.173 1.00 0.00 C ATOM 675 CD GLN A 49 3.888 4.848 -18.301 1.00 0.00 C ATOM 676 OE1 GLN A 49 3.919 6.065 -18.114 1.00 0.00 O ATOM 677 NE2 GLN A 49 3.598 4.312 -19.481 1.00 0.00 N ATOM 0 H GLN A 49 4.711 4.606 -14.482 1.00 0.00 H new ATOM 0 HA GLN A 49 2.835 5.957 -16.072 1.00 0.00 H new ATOM 0 HB2 GLN A 49 3.277 3.016 -15.438 1.00 0.00 H new ATOM 0 HB3 GLN A 49 2.134 3.570 -16.646 1.00 0.00 H new ATOM 0 HG2 GLN A 49 5.112 4.172 -16.682 1.00 0.00 H new ATOM 0 HG3 GLN A 49 4.343 2.883 -17.587 1.00 0.00 H new ATOM 0 HE21 GLN A 49 3.584 3.298 -19.591 1.00 0.00 H new ATOM 0 HE22 GLN A 49 3.390 4.914 -20.277 1.00 0.00 H new ATOM 686 N ASN A 50 1.617 4.479 -13.402 1.00 0.00 N ATOM 687 CA ASN A 50 0.435 4.371 -12.556 1.00 0.00 C ATOM 688 C ASN A 50 0.819 3.981 -11.131 1.00 0.00 C ATOM 689 O ASN A 50 1.851 3.348 -10.907 1.00 0.00 O ATOM 690 CB ASN A 50 -0.538 3.341 -13.133 1.00 0.00 C ATOM 691 CG ASN A 50 -1.538 2.850 -12.103 1.00 0.00 C ATOM 692 OD1 ASN A 50 -1.380 1.771 -11.533 1.00 0.00 O ATOM 693 ND2 ASN A 50 -2.575 3.644 -11.861 1.00 0.00 N ATOM 0 H ASN A 50 2.457 4.055 -13.009 1.00 0.00 H new ATOM 0 HA ASN A 50 -0.052 5.346 -12.529 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -1.073 3.782 -13.974 1.00 0.00 H new ATOM 0 HB3 ASN A 50 0.024 2.493 -13.523 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -3.281 3.367 -11.179 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -2.665 4.530 -12.358 1.00 0.00 H new ATOM 700 N TYR A 51 -0.018 4.364 -10.173 1.00 0.00 N ATOM 701 CA TYR A 51 0.235 4.057 -8.770 1.00 0.00 C ATOM 702 C TYR A 51 -0.574 2.843 -8.324 1.00 0.00 C ATOM 703 O TYR A 51 -1.805 2.858 -8.349 1.00 0.00 O ATOM 704 CB TYR A 51 -0.107 5.262 -7.893 1.00 0.00 C ATOM 705 CG TYR A 51 0.899 6.386 -7.989 1.00 0.00 C ATOM 706 CD1 TYR A 51 2.129 6.301 -7.348 1.00 0.00 C ATOM 707 CD2 TYR A 51 0.620 7.534 -8.721 1.00 0.00 C ATOM 708 CE1 TYR A 51 3.051 7.326 -7.432 1.00 0.00 C ATOM 709 CE2 TYR A 51 1.537 8.563 -8.812 1.00 0.00 C ATOM 710 CZ TYR A 51 2.751 8.455 -8.166 1.00 0.00 C ATOM 711 OH TYR A 51 3.666 9.478 -8.253 1.00 0.00 O ATOM 0 H TYR A 51 -0.877 4.887 -10.342 1.00 0.00 H new ATOM 0 HA TYR A 51 1.294 3.825 -8.660 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -1.089 5.640 -8.176 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -0.178 4.937 -6.855 1.00 0.00 H new ATOM 0 HD1 TYR A 51 2.368 5.418 -6.774 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -0.330 7.623 -9.227 1.00 0.00 H new ATOM 0 HE1 TYR A 51 4.002 7.244 -6.926 1.00 0.00 H new ATOM 0 HE2 TYR A 51 1.305 9.448 -9.386 1.00 0.00 H new ATOM 0 HH TYR A 51 3.690 9.969 -7.405 1.00 0.00 H new ATOM 721 N LYS A 52 0.127 1.790 -7.916 1.00 0.00 N ATOM 722 CA LYS A 52 -0.523 0.567 -7.461 1.00 0.00 C ATOM 723 C LYS A 52 -0.750 0.599 -5.954 1.00 0.00 C ATOM 724 O LYS A 52 0.171 0.873 -5.182 1.00 0.00 O ATOM 725 CB LYS A 52 0.323 -0.653 -7.835 1.00 0.00 C ATOM 726 CG LYS A 52 -0.491 -1.922 -8.024 1.00 0.00 C ATOM 727 CD LYS A 52 -0.938 -2.087 -9.467 1.00 0.00 C ATOM 728 CE LYS A 52 -2.230 -1.332 -9.739 1.00 0.00 C ATOM 729 NZ LYS A 52 -3.278 -1.641 -8.727 1.00 0.00 N ATOM 0 H LYS A 52 1.146 1.760 -7.891 1.00 0.00 H new ATOM 0 HA LYS A 52 -1.492 0.495 -7.954 1.00 0.00 H new ATOM 0 HB2 LYS A 52 0.867 -0.440 -8.755 1.00 0.00 H new ATOM 0 HB3 LYS A 52 1.067 -0.821 -7.057 1.00 0.00 H new ATOM 0 HG2 LYS A 52 0.104 -2.785 -7.725 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -1.364 -1.896 -7.372 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -0.156 -1.725 -10.135 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -1.080 -3.145 -9.686 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -2.031 -0.260 -9.740 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -2.598 -1.588 -10.732 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -4.195 -1.760 -9.202 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -3.030 -2.519 -8.228 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -3.341 -0.860 -8.043 1.00 0.00 H new ATOM 743 N LEU A 53 -1.980 0.317 -5.539 1.00 0.00 N ATOM 744 CA LEU A 53 -2.328 0.312 -4.122 1.00 0.00 C ATOM 745 C LEU A 53 -2.893 -1.042 -3.705 1.00 0.00 C ATOM 746 O LEU A 53 -3.919 -1.485 -4.224 1.00 0.00 O ATOM 747 CB LEU A 53 -3.343 1.416 -3.822 1.00 0.00 C ATOM 748 CG LEU A 53 -4.059 1.321 -2.474 1.00 0.00 C ATOM 749 CD1 LEU A 53 -3.089 1.592 -1.335 1.00 0.00 C ATOM 750 CD2 LEU A 53 -5.229 2.292 -2.423 1.00 0.00 C ATOM 0 H LEU A 53 -2.753 0.089 -6.164 1.00 0.00 H new ATOM 0 HA LEU A 53 -1.419 0.498 -3.549 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -2.830 2.377 -3.872 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -4.095 1.415 -4.611 1.00 0.00 H new ATOM 0 HG LEU A 53 -4.447 0.309 -2.360 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -3.616 1.520 -0.384 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -2.284 0.858 -1.360 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -2.671 2.593 -1.444 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -5.727 2.211 -1.457 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -4.863 3.310 -2.559 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -5.936 2.052 -3.217 1.00 0.00 H new ATOM 762 N TYR A 54 -2.220 -1.694 -2.764 1.00 0.00 N ATOM 763 CA TYR A 54 -2.655 -2.998 -2.277 1.00 0.00 C ATOM 764 C TYR A 54 -3.389 -2.865 -0.946 1.00 0.00 C ATOM 765 O TYR A 54 -3.215 -1.883 -0.223 1.00 0.00 O ATOM 766 CB TYR A 54 -1.455 -3.933 -2.119 1.00 0.00 C ATOM 767 CG TYR A 54 -0.695 -4.165 -3.406 1.00 0.00 C ATOM 768 CD1 TYR A 54 -0.099 -3.109 -4.084 1.00 0.00 C ATOM 769 CD2 TYR A 54 -0.571 -5.441 -3.942 1.00 0.00 C ATOM 770 CE1 TYR A 54 0.595 -3.316 -5.260 1.00 0.00 C ATOM 771 CE2 TYR A 54 0.123 -5.657 -5.117 1.00 0.00 C ATOM 772 CZ TYR A 54 0.704 -4.592 -5.772 1.00 0.00 C ATOM 773 OH TYR A 54 1.397 -4.802 -6.942 1.00 0.00 O ATOM 0 H TYR A 54 -1.371 -1.341 -2.323 1.00 0.00 H new ATOM 0 HA TYR A 54 -3.342 -3.421 -3.010 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -0.776 -3.516 -1.376 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -1.800 -4.892 -1.733 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -0.180 -2.109 -3.685 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -1.025 -6.278 -3.432 1.00 0.00 H new ATOM 0 HE1 TYR A 54 1.050 -2.483 -5.776 1.00 0.00 H new ATOM 0 HE2 TYR A 54 0.210 -6.655 -5.520 1.00 0.00 H new ATOM 0 HH TYR A 54 1.381 -5.756 -7.165 1.00 0.00 H new ATOM 783 N TYR A 55 -4.209 -3.860 -0.629 1.00 0.00 N ATOM 784 CA TYR A 55 -4.972 -3.855 0.614 1.00 0.00 C ATOM 785 C TYR A 55 -5.453 -5.260 0.964 1.00 0.00 C ATOM 786 O TYR A 55 -6.055 -5.945 0.138 1.00 0.00 O ATOM 787 CB TYR A 55 -6.168 -2.909 0.500 1.00 0.00 C ATOM 788 CG TYR A 55 -7.291 -3.452 -0.354 1.00 0.00 C ATOM 789 CD1 TYR A 55 -7.142 -3.586 -1.729 1.00 0.00 C ATOM 790 CD2 TYR A 55 -8.501 -3.832 0.213 1.00 0.00 C ATOM 791 CE1 TYR A 55 -8.166 -4.081 -2.514 1.00 0.00 C ATOM 792 CE2 TYR A 55 -9.529 -4.330 -0.563 1.00 0.00 C ATOM 793 CZ TYR A 55 -9.357 -4.452 -1.926 1.00 0.00 C ATOM 794 OH TYR A 55 -10.379 -4.947 -2.703 1.00 0.00 O ATOM 0 H TYR A 55 -4.363 -4.680 -1.215 1.00 0.00 H new ATOM 0 HA TYR A 55 -4.316 -3.506 1.411 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -6.551 -2.699 1.499 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -5.831 -1.960 0.082 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -6.210 -3.298 -2.192 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -8.640 -3.736 1.280 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -8.034 -4.177 -3.582 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -10.462 -4.622 -0.105 1.00 0.00 H new ATOM 0 HH TYR A 55 -10.263 -5.913 -2.820 1.00 0.00 H new ATOM 804 N MET A 56 -5.182 -5.682 2.194 1.00 0.00 N ATOM 805 CA MET A 56 -5.588 -7.005 2.655 1.00 0.00 C ATOM 806 C MET A 56 -5.870 -6.995 4.154 1.00 0.00 C ATOM 807 O MET A 56 -5.442 -6.090 4.869 1.00 0.00 O ATOM 808 CB MET A 56 -4.504 -8.036 2.335 1.00 0.00 C ATOM 809 CG MET A 56 -3.474 -8.199 3.441 1.00 0.00 C ATOM 810 SD MET A 56 -1.914 -8.878 2.844 1.00 0.00 S ATOM 811 CE MET A 56 -1.585 -10.119 4.093 1.00 0.00 C ATOM 0 H MET A 56 -4.683 -5.128 2.890 1.00 0.00 H new ATOM 0 HA MET A 56 -6.504 -7.279 2.132 1.00 0.00 H new ATOM 0 HB2 MET A 56 -4.976 -9.000 2.144 1.00 0.00 H new ATOM 0 HB3 MET A 56 -3.995 -7.743 1.417 1.00 0.00 H new ATOM 0 HG2 MET A 56 -3.290 -7.231 3.906 1.00 0.00 H new ATOM 0 HG3 MET A 56 -3.878 -8.852 4.214 1.00 0.00 H new ATOM 0 HE1 MET A 56 -0.649 -10.628 3.862 1.00 0.00 H new ATOM 0 HE2 MET A 56 -1.507 -9.641 5.069 1.00 0.00 H new ATOM 0 HE3 MET A 56 -2.398 -10.844 4.108 1.00 0.00 H new ATOM 821 N GLU A 57 -6.592 -8.008 4.623 1.00 0.00 N ATOM 822 CA GLU A 57 -6.931 -8.114 6.037 1.00 0.00 C ATOM 823 C GLU A 57 -5.866 -8.904 6.794 1.00 0.00 C ATOM 824 O GLU A 57 -5.490 -10.005 6.392 1.00 0.00 O ATOM 825 CB GLU A 57 -8.296 -8.784 6.208 1.00 0.00 C ATOM 826 CG GLU A 57 -8.824 -8.734 7.632 1.00 0.00 C ATOM 827 CD GLU A 57 -10.292 -9.102 7.723 1.00 0.00 C ATOM 828 OE1 GLU A 57 -11.043 -8.783 6.778 1.00 0.00 O ATOM 829 OE2 GLU A 57 -10.690 -9.710 8.739 1.00 0.00 O ATOM 0 H GLU A 57 -6.953 -8.766 4.045 1.00 0.00 H new ATOM 0 HA GLU A 57 -6.974 -7.106 6.451 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -9.014 -8.300 5.546 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -8.223 -9.825 5.893 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -8.243 -9.414 8.255 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -8.679 -7.731 8.034 1.00 0.00 H new ATOM 836 N LYS A 58 -5.384 -8.332 7.892 1.00 0.00 N ATOM 837 CA LYS A 58 -4.364 -8.980 8.707 1.00 0.00 C ATOM 838 C LYS A 58 -4.796 -10.389 9.102 1.00 0.00 C ATOM 839 O LYS A 58 -5.584 -10.570 10.029 1.00 0.00 O ATOM 840 CB LYS A 58 -4.082 -8.151 9.963 1.00 0.00 C ATOM 841 CG LYS A 58 -2.660 -8.291 10.478 1.00 0.00 C ATOM 842 CD LYS A 58 -1.738 -7.254 9.859 1.00 0.00 C ATOM 843 CE LYS A 58 -0.317 -7.385 10.386 1.00 0.00 C ATOM 844 NZ LYS A 58 -0.203 -6.921 11.796 1.00 0.00 N ATOM 0 H LYS A 58 -5.684 -7.420 8.238 1.00 0.00 H new ATOM 0 HA LYS A 58 -3.453 -9.051 8.114 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -4.279 -7.101 9.747 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -4.775 -8.451 10.749 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -2.653 -8.184 11.563 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -2.288 -9.291 10.254 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -1.737 -7.368 8.775 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -2.116 -6.255 10.074 1.00 0.00 H new ATOM 0 HE2 LYS A 58 0.000 -8.426 10.319 1.00 0.00 H new ATOM 0 HE3 LYS A 58 0.358 -6.805 9.757 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 0.651 -6.337 11.901 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -1.041 -6.358 12.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -0.139 -7.744 12.428 1.00 0.00 H new ATOM 858 N GLY A 59 -4.273 -11.384 8.393 1.00 0.00 N ATOM 859 CA GLY A 59 -4.616 -12.764 8.685 1.00 0.00 C ATOM 860 C GLY A 59 -5.365 -13.429 7.548 1.00 0.00 C ATOM 861 O GLY A 59 -6.243 -14.262 7.775 1.00 0.00 O ATOM 0 H GLY A 59 -3.618 -11.260 7.621 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -3.705 -13.325 8.893 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -5.226 -12.800 9.588 1.00 0.00 H new ATOM 865 N THR A 60 -5.020 -13.060 6.318 1.00 0.00 N ATOM 866 CA THR A 60 -5.667 -13.624 5.141 1.00 0.00 C ATOM 867 C THR A 60 -4.653 -14.298 4.225 1.00 0.00 C ATOM 868 O THR A 60 -4.984 -15.236 3.499 1.00 0.00 O ATOM 869 CB THR A 60 -6.423 -12.544 4.344 1.00 0.00 C ATOM 870 OG1 THR A 60 -6.983 -11.577 5.239 1.00 0.00 O ATOM 871 CG2 THR A 60 -7.529 -13.166 3.504 1.00 0.00 C ATOM 0 H THR A 60 -4.295 -12.372 6.112 1.00 0.00 H new ATOM 0 HA THR A 60 -6.379 -14.367 5.498 1.00 0.00 H new ATOM 0 HB THR A 60 -5.714 -12.053 3.677 1.00 0.00 H new ATOM 0 HG1 THR A 60 -6.396 -10.793 5.282 1.00 0.00 H new ATOM 0 HG21 THR A 60 -8.049 -12.384 2.950 1.00 0.00 H new ATOM 0 HG22 THR A 60 -7.096 -13.880 2.804 1.00 0.00 H new ATOM 0 HG23 THR A 60 -8.236 -13.680 4.156 1.00 0.00 H new ATOM 879 N ASP A 61 -3.415 -13.816 4.264 1.00 0.00 N ATOM 880 CA ASP A 61 -2.351 -14.374 3.438 1.00 0.00 C ATOM 881 C ASP A 61 -2.649 -14.169 1.956 1.00 0.00 C ATOM 882 O ASP A 61 -2.229 -14.960 1.111 1.00 0.00 O ATOM 883 CB ASP A 61 -2.175 -15.864 3.734 1.00 0.00 C ATOM 884 CG ASP A 61 -1.965 -16.141 5.210 1.00 0.00 C ATOM 885 OD1 ASP A 61 -2.220 -15.231 6.026 1.00 0.00 O ATOM 886 OD2 ASP A 61 -1.546 -17.267 5.548 1.00 0.00 O ATOM 0 H ASP A 61 -3.124 -13.040 4.859 1.00 0.00 H new ATOM 0 HA ASP A 61 -1.425 -13.852 3.680 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -3.054 -16.407 3.387 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -1.323 -16.245 3.171 1.00 0.00 H new ATOM 891 N LYS A 62 -3.377 -13.102 1.646 1.00 0.00 N ATOM 892 CA LYS A 62 -3.732 -12.791 0.267 1.00 0.00 C ATOM 893 C LYS A 62 -3.811 -11.283 0.052 1.00 0.00 C ATOM 894 O LYS A 62 -4.752 -10.632 0.502 1.00 0.00 O ATOM 895 CB LYS A 62 -5.070 -13.439 -0.096 1.00 0.00 C ATOM 896 CG LYS A 62 -5.617 -12.993 -1.441 1.00 0.00 C ATOM 897 CD LYS A 62 -5.012 -13.794 -2.582 1.00 0.00 C ATOM 898 CE LYS A 62 -5.722 -15.127 -2.765 1.00 0.00 C ATOM 899 NZ LYS A 62 -6.963 -14.988 -3.577 1.00 0.00 N ATOM 0 H LYS A 62 -3.733 -12.437 2.333 1.00 0.00 H new ATOM 0 HA LYS A 62 -2.953 -13.193 -0.381 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -4.949 -14.522 -0.103 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -5.800 -13.205 0.679 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -6.701 -13.107 -1.450 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -5.407 -11.934 -1.587 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -5.074 -13.218 -3.505 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -3.954 -13.968 -2.385 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -5.048 -15.834 -3.250 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -5.971 -15.543 -1.789 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -7.417 -15.918 -3.679 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -7.617 -14.333 -3.102 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -6.722 -14.616 -4.518 1.00 0.00 H new ATOM 913 N GLU A 63 -2.816 -10.735 -0.640 1.00 0.00 N ATOM 914 CA GLU A 63 -2.775 -9.304 -0.915 1.00 0.00 C ATOM 915 C GLU A 63 -3.507 -8.978 -2.214 1.00 0.00 C ATOM 916 O GLU A 63 -3.496 -9.766 -3.158 1.00 0.00 O ATOM 917 CB GLU A 63 -1.326 -8.819 -0.998 1.00 0.00 C ATOM 918 CG GLU A 63 -1.192 -7.306 -1.044 1.00 0.00 C ATOM 919 CD GLU A 63 -1.100 -6.686 0.336 1.00 0.00 C ATOM 920 OE1 GLU A 63 -0.007 -6.742 0.940 1.00 0.00 O ATOM 921 OE2 GLU A 63 -2.119 -6.145 0.814 1.00 0.00 O ATOM 0 H GLU A 63 -2.029 -11.260 -1.020 1.00 0.00 H new ATOM 0 HA GLU A 63 -3.277 -8.789 -0.096 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -0.775 -9.198 -0.137 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -0.860 -9.244 -1.887 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -0.303 -7.041 -1.617 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -2.048 -6.885 -1.571 1.00 0.00 H new ATOM 928 N GLN A 64 -4.142 -7.811 -2.251 1.00 0.00 N ATOM 929 CA GLN A 64 -4.880 -7.381 -3.432 1.00 0.00 C ATOM 930 C GLN A 64 -4.222 -6.163 -4.073 1.00 0.00 C ATOM 931 O GLN A 64 -3.210 -5.662 -3.581 1.00 0.00 O ATOM 932 CB GLN A 64 -6.330 -7.058 -3.065 1.00 0.00 C ATOM 933 CG GLN A 64 -7.102 -8.251 -2.527 1.00 0.00 C ATOM 934 CD GLN A 64 -8.481 -7.876 -2.023 1.00 0.00 C ATOM 935 OE1 GLN A 64 -9.333 -7.423 -2.788 1.00 0.00 O ATOM 936 NE2 GLN A 64 -8.709 -8.061 -0.728 1.00 0.00 N ATOM 0 H GLN A 64 -4.160 -7.147 -1.477 1.00 0.00 H new ATOM 0 HA GLN A 64 -4.869 -8.199 -4.153 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -6.339 -6.264 -2.319 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -6.842 -6.672 -3.947 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -7.198 -9.001 -3.312 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -6.536 -8.710 -1.716 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -7.974 -8.439 -0.130 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -9.619 -7.825 -0.332 1.00 0.00 H new ATOM 945 N ASP A 65 -4.802 -5.692 -5.171 1.00 0.00 N ATOM 946 CA ASP A 65 -4.272 -4.533 -5.878 1.00 0.00 C ATOM 947 C ASP A 65 -5.393 -3.750 -6.555 1.00 0.00 C ATOM 948 O ASP A 65 -6.256 -4.327 -7.216 1.00 0.00 O ATOM 949 CB ASP A 65 -3.239 -4.971 -6.918 1.00 0.00 C ATOM 950 CG ASP A 65 -3.880 -5.574 -8.152 1.00 0.00 C ATOM 951 OD1 ASP A 65 -4.891 -6.292 -8.005 1.00 0.00 O ATOM 952 OD2 ASP A 65 -3.370 -5.328 -9.265 1.00 0.00 O ATOM 0 H ASP A 65 -5.640 -6.095 -5.591 1.00 0.00 H new ATOM 0 HA ASP A 65 -3.788 -3.883 -5.148 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -2.634 -4.112 -7.209 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -2.563 -5.700 -6.470 1.00 0.00 H new ATOM 957 N VAL A 66 -5.374 -2.432 -6.385 1.00 0.00 N ATOM 958 CA VAL A 66 -6.388 -1.569 -6.979 1.00 0.00 C ATOM 959 C VAL A 66 -5.751 -0.385 -7.697 1.00 0.00 C ATOM 960 O VAL A 66 -4.817 0.234 -7.186 1.00 0.00 O ATOM 961 CB VAL A 66 -7.370 -1.043 -5.916 1.00 0.00 C ATOM 962 CG1 VAL A 66 -8.230 -2.176 -5.377 1.00 0.00 C ATOM 963 CG2 VAL A 66 -6.616 -0.352 -4.790 1.00 0.00 C ATOM 0 H VAL A 66 -4.667 -1.938 -5.840 1.00 0.00 H new ATOM 0 HA VAL A 66 -6.936 -2.175 -7.701 1.00 0.00 H new ATOM 0 HB VAL A 66 -8.028 -0.311 -6.384 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -8.918 -1.786 -4.627 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -8.798 -2.622 -6.193 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -7.591 -2.934 -4.924 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -7.326 0.014 -4.048 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -5.933 -1.060 -4.321 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -6.048 0.487 -5.193 1.00 0.00 H new ATOM 973 N ASP A 67 -6.261 -0.075 -8.883 1.00 0.00 N ATOM 974 CA ASP A 67 -5.743 1.037 -9.672 1.00 0.00 C ATOM 975 C ASP A 67 -6.107 2.373 -9.031 1.00 0.00 C ATOM 976 O ASP A 67 -7.273 2.635 -8.736 1.00 0.00 O ATOM 977 CB ASP A 67 -6.289 0.977 -11.099 1.00 0.00 C ATOM 978 CG ASP A 67 -5.993 2.238 -11.886 1.00 0.00 C ATOM 979 OD1 ASP A 67 -4.904 2.319 -12.492 1.00 0.00 O ATOM 980 OD2 ASP A 67 -6.852 3.145 -11.897 1.00 0.00 O ATOM 0 H ASP A 67 -7.033 -0.578 -9.320 1.00 0.00 H new ATOM 0 HA ASP A 67 -4.657 0.953 -9.704 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -5.856 0.120 -11.615 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -7.367 0.817 -11.066 1.00 0.00 H new ATOM 985 N VAL A 68 -5.100 3.215 -8.819 1.00 0.00 N ATOM 986 CA VAL A 68 -5.314 4.525 -8.213 1.00 0.00 C ATOM 987 C VAL A 68 -4.627 5.621 -9.019 1.00 0.00 C ATOM 988 O VAL A 68 -3.430 5.544 -9.297 1.00 0.00 O ATOM 989 CB VAL A 68 -4.794 4.564 -6.764 1.00 0.00 C ATOM 990 CG1 VAL A 68 -4.931 5.965 -6.186 1.00 0.00 C ATOM 991 CG2 VAL A 68 -5.533 3.549 -5.905 1.00 0.00 C ATOM 0 H VAL A 68 -4.129 3.014 -9.058 1.00 0.00 H new ATOM 0 HA VAL A 68 -6.390 4.701 -8.209 1.00 0.00 H new ATOM 0 HB VAL A 68 -3.736 4.300 -6.768 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -4.559 5.974 -5.162 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -4.352 6.665 -6.788 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -5.980 6.261 -6.193 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -5.153 3.590 -4.884 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -6.598 3.779 -5.905 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -5.378 2.549 -6.309 1.00 0.00 H new ATOM 1001 N SER A 69 -5.392 6.643 -9.390 1.00 0.00 N ATOM 1002 CA SER A 69 -4.857 7.755 -10.167 1.00 0.00 C ATOM 1003 C SER A 69 -4.683 8.994 -9.293 1.00 0.00 C ATOM 1004 O SER A 69 -5.180 10.072 -9.619 1.00 0.00 O ATOM 1005 CB SER A 69 -5.781 8.073 -11.344 1.00 0.00 C ATOM 1006 OG SER A 69 -5.578 7.165 -12.412 1.00 0.00 O ATOM 0 H SER A 69 -6.384 6.724 -9.165 1.00 0.00 H new ATOM 0 HA SER A 69 -3.880 7.462 -10.550 1.00 0.00 H new ATOM 0 HB2 SER A 69 -6.820 8.028 -11.017 1.00 0.00 H new ATOM 0 HB3 SER A 69 -5.599 9.091 -11.689 1.00 0.00 H new ATOM 0 HG SER A 69 -6.182 7.389 -13.151 1.00 0.00 H new ATOM 1012 N SER A 70 -3.972 8.831 -8.182 1.00 0.00 N ATOM 1013 CA SER A 70 -3.734 9.934 -7.258 1.00 0.00 C ATOM 1014 C SER A 70 -2.768 9.518 -6.153 1.00 0.00 C ATOM 1015 O SER A 70 -2.310 8.376 -6.110 1.00 0.00 O ATOM 1016 CB SER A 70 -5.053 10.409 -6.647 1.00 0.00 C ATOM 1017 OG SER A 70 -5.707 11.333 -7.500 1.00 0.00 O ATOM 0 H SER A 70 -3.551 7.946 -7.900 1.00 0.00 H new ATOM 0 HA SER A 70 -3.286 10.755 -7.818 1.00 0.00 H new ATOM 0 HB2 SER A 70 -5.703 9.553 -6.467 1.00 0.00 H new ATOM 0 HB3 SER A 70 -4.863 10.874 -5.680 1.00 0.00 H new ATOM 0 HG SER A 70 -5.867 10.916 -8.372 1.00 0.00 H new ATOM 1023 N HIS A 71 -2.464 10.453 -5.259 1.00 0.00 N ATOM 1024 CA HIS A 71 -1.554 10.185 -4.151 1.00 0.00 C ATOM 1025 C HIS A 71 -2.318 9.691 -2.926 1.00 0.00 C ATOM 1026 O HIS A 71 -1.760 9.011 -2.066 1.00 0.00 O ATOM 1027 CB HIS A 71 -0.760 11.443 -3.799 1.00 0.00 C ATOM 1028 CG HIS A 71 0.216 11.852 -4.858 1.00 0.00 C ATOM 1029 ND1 HIS A 71 0.176 13.079 -5.486 1.00 0.00 N ATOM 1030 CD2 HIS A 71 1.265 11.189 -5.399 1.00 0.00 C ATOM 1031 CE1 HIS A 71 1.156 13.153 -6.368 1.00 0.00 C ATOM 1032 NE2 HIS A 71 1.833 12.019 -6.334 1.00 0.00 N ATOM 0 H HIS A 71 -2.834 11.403 -5.280 1.00 0.00 H new ATOM 0 HA HIS A 71 -0.862 9.404 -4.464 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -1.455 12.263 -3.621 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -0.222 11.274 -2.866 1.00 0.00 H new ATOM 0 HD2 HIS A 71 1.594 10.193 -5.143 1.00 0.00 H new ATOM 0 HE1 HIS A 71 1.368 13.997 -7.008 1.00 0.00 H new ATOM 0 HE2 HIS A 71 2.646 11.796 -6.909 1.00 0.00 H new ATOM 1041 N SER A 72 -3.599 10.040 -2.854 1.00 0.00 N ATOM 1042 CA SER A 72 -4.439 9.637 -1.733 1.00 0.00 C ATOM 1043 C SER A 72 -5.724 8.979 -2.226 1.00 0.00 C ATOM 1044 O SER A 72 -6.527 9.602 -2.922 1.00 0.00 O ATOM 1045 CB SER A 72 -4.775 10.847 -0.859 1.00 0.00 C ATOM 1046 OG SER A 72 -5.620 11.754 -1.546 1.00 0.00 O ATOM 0 H SER A 72 -4.077 10.601 -3.559 1.00 0.00 H new ATOM 0 HA SER A 72 -3.885 8.911 -1.138 1.00 0.00 H new ATOM 0 HB2 SER A 72 -5.263 10.514 0.057 1.00 0.00 H new ATOM 0 HB3 SER A 72 -3.856 11.353 -0.565 1.00 0.00 H new ATOM 0 HG SER A 72 -6.192 11.260 -2.170 1.00 0.00 H new ATOM 1052 N TYR A 73 -5.912 7.716 -1.860 1.00 0.00 N ATOM 1053 CA TYR A 73 -7.098 6.971 -2.267 1.00 0.00 C ATOM 1054 C TYR A 73 -7.926 6.561 -1.053 1.00 0.00 C ATOM 1055 O TYR A 73 -7.445 6.587 0.081 1.00 0.00 O ATOM 1056 CB TYR A 73 -6.698 5.731 -3.068 1.00 0.00 C ATOM 1057 CG TYR A 73 -7.876 4.960 -3.619 1.00 0.00 C ATOM 1058 CD1 TYR A 73 -8.474 5.330 -4.817 1.00 0.00 C ATOM 1059 CD2 TYR A 73 -8.390 3.861 -2.942 1.00 0.00 C ATOM 1060 CE1 TYR A 73 -9.551 4.629 -5.324 1.00 0.00 C ATOM 1061 CE2 TYR A 73 -9.465 3.153 -3.443 1.00 0.00 C ATOM 1062 CZ TYR A 73 -10.043 3.541 -4.634 1.00 0.00 C ATOM 1063 OH TYR A 73 -11.114 2.839 -5.136 1.00 0.00 O ATOM 0 H TYR A 73 -5.259 7.187 -1.282 1.00 0.00 H new ATOM 0 HA TYR A 73 -7.706 7.621 -2.897 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -6.055 6.034 -3.894 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -6.109 5.072 -2.431 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -8.090 6.180 -5.361 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -7.941 3.555 -2.008 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -10.005 4.931 -6.256 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -9.851 2.300 -2.905 1.00 0.00 H new ATOM 0 HH TYR A 73 -11.335 2.102 -4.530 1.00 0.00 H new ATOM 1073 N THR A 74 -9.176 6.180 -1.298 1.00 0.00 N ATOM 1074 CA THR A 74 -10.073 5.765 -0.227 1.00 0.00 C ATOM 1075 C THR A 74 -10.721 4.421 -0.543 1.00 0.00 C ATOM 1076 O THR A 74 -11.453 4.290 -1.524 1.00 0.00 O ATOM 1077 CB THR A 74 -11.178 6.809 0.017 1.00 0.00 C ATOM 1078 OG1 THR A 74 -10.592 8.083 0.308 1.00 0.00 O ATOM 1079 CG2 THR A 74 -12.078 6.385 1.168 1.00 0.00 C ATOM 0 H THR A 74 -9.590 6.150 -2.230 1.00 0.00 H new ATOM 0 HA THR A 74 -9.467 5.671 0.674 1.00 0.00 H new ATOM 0 HB THR A 74 -11.782 6.885 -0.887 1.00 0.00 H new ATOM 0 HG1 THR A 74 -10.338 8.118 1.254 1.00 0.00 H new ATOM 0 HG21 THR A 74 -12.851 7.138 1.322 1.00 0.00 H new ATOM 0 HG22 THR A 74 -12.545 5.429 0.932 1.00 0.00 H new ATOM 0 HG23 THR A 74 -11.484 6.284 2.076 1.00 0.00 H new ATOM 1087 N ILE A 75 -10.447 3.426 0.294 1.00 0.00 N ATOM 1088 CA ILE A 75 -11.005 2.093 0.104 1.00 0.00 C ATOM 1089 C ILE A 75 -12.215 1.870 1.005 1.00 0.00 C ATOM 1090 O ILE A 75 -12.121 1.984 2.227 1.00 0.00 O ATOM 1091 CB ILE A 75 -9.959 0.999 0.388 1.00 0.00 C ATOM 1092 CG1 ILE A 75 -8.853 1.034 -0.669 1.00 0.00 C ATOM 1093 CG2 ILE A 75 -10.621 -0.370 0.425 1.00 0.00 C ATOM 1094 CD1 ILE A 75 -7.650 0.190 -0.312 1.00 0.00 C ATOM 0 H ILE A 75 -9.842 3.518 1.110 1.00 0.00 H new ATOM 0 HA ILE A 75 -11.314 2.026 -0.939 1.00 0.00 H new ATOM 0 HB ILE A 75 -9.510 1.190 1.363 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -9.259 0.689 -1.620 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -8.533 2.066 -0.814 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -9.869 -1.133 0.627 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -11.376 -0.388 1.211 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -11.093 -0.572 -0.536 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -6.906 0.262 -1.106 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -7.219 0.548 0.623 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -7.957 -0.850 -0.195 1.00 0.00 H new ATOM 1106 N ASN A 76 -13.351 1.551 0.394 1.00 0.00 N ATOM 1107 CA ASN A 76 -14.580 1.310 1.141 1.00 0.00 C ATOM 1108 C ASN A 76 -14.977 -0.162 1.076 1.00 0.00 C ATOM 1109 O ASN A 76 -14.557 -0.889 0.177 1.00 0.00 O ATOM 1110 CB ASN A 76 -15.713 2.180 0.593 1.00 0.00 C ATOM 1111 CG ASN A 76 -15.266 3.602 0.312 1.00 0.00 C ATOM 1112 OD1 ASN A 76 -15.464 4.500 1.131 1.00 0.00 O ATOM 1113 ND2 ASN A 76 -14.659 3.812 -0.850 1.00 0.00 N ATOM 0 H ASN A 76 -13.446 1.453 -0.617 1.00 0.00 H new ATOM 0 HA ASN A 76 -14.400 1.573 2.183 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -16.098 1.735 -0.325 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -16.535 2.195 1.309 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -14.335 4.748 -1.095 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -14.516 3.037 -1.498 1.00 0.00 H new ATOM 1120 N GLY A 77 -15.789 -0.593 2.036 1.00 0.00 N ATOM 1121 CA GLY A 77 -16.230 -1.975 2.069 1.00 0.00 C ATOM 1122 C GLY A 77 -15.346 -2.844 2.942 1.00 0.00 C ATOM 1123 O GLY A 77 -14.921 -3.924 2.527 1.00 0.00 O ATOM 0 H GLY A 77 -16.149 -0.010 2.791 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -17.255 -2.018 2.438 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -16.240 -2.375 1.055 1.00 0.00 H new ATOM 1127 N LEU A 78 -15.067 -2.375 4.153 1.00 0.00 N ATOM 1128 CA LEU A 78 -14.226 -3.116 5.086 1.00 0.00 C ATOM 1129 C LEU A 78 -14.952 -3.346 6.408 1.00 0.00 C ATOM 1130 O LEU A 78 -16.016 -2.778 6.652 1.00 0.00 O ATOM 1131 CB LEU A 78 -12.918 -2.363 5.334 1.00 0.00 C ATOM 1132 CG LEU A 78 -12.154 -1.918 4.086 1.00 0.00 C ATOM 1133 CD1 LEU A 78 -10.916 -1.124 4.474 1.00 0.00 C ATOM 1134 CD2 LEU A 78 -11.773 -3.121 3.237 1.00 0.00 C ATOM 0 H LEU A 78 -15.411 -1.484 4.512 1.00 0.00 H new ATOM 0 HA LEU A 78 -14.001 -4.086 4.642 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -13.138 -1.481 5.935 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -12.263 -2.999 5.929 1.00 0.00 H new ATOM 0 HG LEU A 78 -12.805 -1.273 3.495 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -10.385 -0.816 3.574 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -11.213 -0.241 5.041 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -10.262 -1.745 5.086 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -11.230 -2.785 2.353 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -11.140 -3.791 3.819 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -12.675 -3.650 2.930 1.00 0.00 H new ATOM 1146 N LYS A 79 -14.368 -4.182 7.260 1.00 0.00 N ATOM 1147 CA LYS A 79 -14.956 -4.486 8.559 1.00 0.00 C ATOM 1148 C LYS A 79 -14.610 -3.405 9.578 1.00 0.00 C ATOM 1149 O LYS A 79 -13.851 -2.481 9.286 1.00 0.00 O ATOM 1150 CB LYS A 79 -14.466 -5.847 9.058 1.00 0.00 C ATOM 1151 CG LYS A 79 -15.188 -7.023 8.423 1.00 0.00 C ATOM 1152 CD LYS A 79 -16.418 -7.419 9.223 1.00 0.00 C ATOM 1153 CE LYS A 79 -16.061 -8.355 10.368 1.00 0.00 C ATOM 1154 NZ LYS A 79 -17.231 -8.625 11.249 1.00 0.00 N ATOM 0 H LYS A 79 -13.487 -4.661 7.074 1.00 0.00 H new ATOM 0 HA LYS A 79 -16.039 -4.518 8.441 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -13.398 -5.935 8.857 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -14.592 -5.895 10.140 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -15.482 -6.765 7.406 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -14.509 -7.873 8.352 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -16.899 -6.525 9.619 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -17.140 -7.905 8.566 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -15.685 -9.295 9.965 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -15.256 -7.917 10.958 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -16.947 -9.267 12.017 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -17.574 -7.731 11.654 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -17.990 -9.067 10.692 1.00 0.00 H new ATOM 1168 N LYS A 80 -15.171 -3.527 10.777 1.00 0.00 N ATOM 1169 CA LYS A 80 -14.920 -2.563 11.841 1.00 0.00 C ATOM 1170 C LYS A 80 -13.935 -3.123 12.862 1.00 0.00 C ATOM 1171 O LYS A 80 -13.968 -4.311 13.184 1.00 0.00 O ATOM 1172 CB LYS A 80 -16.232 -2.186 12.535 1.00 0.00 C ATOM 1173 CG LYS A 80 -17.318 -1.731 11.576 1.00 0.00 C ATOM 1174 CD LYS A 80 -18.199 -2.890 11.141 1.00 0.00 C ATOM 1175 CE LYS A 80 -18.978 -2.555 9.878 1.00 0.00 C ATOM 1176 NZ LYS A 80 -18.224 -2.920 8.647 1.00 0.00 N ATOM 0 H LYS A 80 -15.803 -4.285 11.036 1.00 0.00 H new ATOM 0 HA LYS A 80 -14.483 -1.671 11.393 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -16.594 -3.045 13.100 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -16.037 -1.390 13.254 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -17.930 -0.967 12.055 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -16.861 -1.271 10.700 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -17.582 -3.772 10.966 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -18.894 -3.141 11.942 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -19.932 -3.082 9.889 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -19.204 -1.489 9.863 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -18.734 -2.569 7.811 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -17.277 -2.491 8.680 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -18.134 -3.954 8.589 1.00 0.00 H new ATOM 1190 N TYR A 81 -13.062 -2.260 13.369 1.00 0.00 N ATOM 1191 CA TYR A 81 -12.067 -2.670 14.354 1.00 0.00 C ATOM 1192 C TYR A 81 -11.173 -3.774 13.798 1.00 0.00 C ATOM 1193 O TYR A 81 -10.648 -4.600 14.545 1.00 0.00 O ATOM 1194 CB TYR A 81 -12.753 -3.149 15.634 1.00 0.00 C ATOM 1195 CG TYR A 81 -11.930 -2.924 16.883 1.00 0.00 C ATOM 1196 CD1 TYR A 81 -11.496 -1.651 17.232 1.00 0.00 C ATOM 1197 CD2 TYR A 81 -11.588 -3.983 17.714 1.00 0.00 C ATOM 1198 CE1 TYR A 81 -10.744 -1.440 18.371 1.00 0.00 C ATOM 1199 CE2 TYR A 81 -10.837 -3.782 18.856 1.00 0.00 C ATOM 1200 CZ TYR A 81 -10.417 -2.509 19.180 1.00 0.00 C ATOM 1201 OH TYR A 81 -9.669 -2.303 20.316 1.00 0.00 O ATOM 0 H TYR A 81 -13.023 -1.273 13.115 1.00 0.00 H new ATOM 0 HA TYR A 81 -11.444 -1.806 14.586 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -13.707 -2.633 15.740 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -12.974 -4.212 15.542 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -11.751 -0.812 16.602 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -11.915 -4.981 17.463 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -10.414 -0.444 18.627 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -10.580 -4.617 19.491 1.00 0.00 H new ATOM 0 HH TYR A 81 -9.528 -3.158 20.774 1.00 0.00 H new ATOM 1211 N THR A 82 -11.004 -3.782 12.479 1.00 0.00 N ATOM 1212 CA THR A 82 -10.175 -4.784 11.821 1.00 0.00 C ATOM 1213 C THR A 82 -8.935 -4.149 11.200 1.00 0.00 C ATOM 1214 O THR A 82 -9.013 -3.085 10.588 1.00 0.00 O ATOM 1215 CB THR A 82 -10.959 -5.531 10.726 1.00 0.00 C ATOM 1216 OG1 THR A 82 -12.140 -6.118 11.283 1.00 0.00 O ATOM 1217 CG2 THR A 82 -10.100 -6.612 10.088 1.00 0.00 C ATOM 0 H THR A 82 -11.430 -3.106 11.846 1.00 0.00 H new ATOM 0 HA THR A 82 -9.870 -5.496 12.588 1.00 0.00 H new ATOM 0 HB THR A 82 -11.240 -4.812 9.956 1.00 0.00 H new ATOM 0 HG1 THR A 82 -12.459 -6.833 10.694 1.00 0.00 H new ATOM 0 HG21 THR A 82 -10.675 -7.126 9.318 1.00 0.00 H new ATOM 0 HG22 THR A 82 -9.217 -6.157 9.639 1.00 0.00 H new ATOM 0 HG23 THR A 82 -9.792 -7.328 10.849 1.00 0.00 H new ATOM 1225 N GLU A 83 -7.794 -4.811 11.361 1.00 0.00 N ATOM 1226 CA GLU A 83 -6.538 -4.310 10.815 1.00 0.00 C ATOM 1227 C GLU A 83 -6.426 -4.628 9.326 1.00 0.00 C ATOM 1228 O GLU A 83 -6.955 -5.635 8.854 1.00 0.00 O ATOM 1229 CB GLU A 83 -5.351 -4.917 11.567 1.00 0.00 C ATOM 1230 CG GLU A 83 -4.081 -4.088 11.470 1.00 0.00 C ATOM 1231 CD GLU A 83 -3.075 -4.433 12.550 1.00 0.00 C ATOM 1232 OE1 GLU A 83 -2.496 -5.538 12.492 1.00 0.00 O ATOM 1233 OE2 GLU A 83 -2.867 -3.598 13.455 1.00 0.00 O ATOM 0 H GLU A 83 -7.713 -5.694 11.864 1.00 0.00 H new ATOM 0 HA GLU A 83 -6.524 -3.227 10.940 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -5.619 -5.035 12.617 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -5.155 -5.915 11.174 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -3.625 -4.242 10.492 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -4.336 -3.031 11.540 1.00 0.00 H new ATOM 1240 N TYR A 84 -5.736 -3.762 8.593 1.00 0.00 N ATOM 1241 CA TYR A 84 -5.557 -3.948 7.158 1.00 0.00 C ATOM 1242 C TYR A 84 -4.184 -3.455 6.712 1.00 0.00 C ATOM 1243 O TYR A 84 -3.751 -2.365 7.088 1.00 0.00 O ATOM 1244 CB TYR A 84 -6.652 -3.209 6.387 1.00 0.00 C ATOM 1245 CG TYR A 84 -8.021 -3.835 6.531 1.00 0.00 C ATOM 1246 CD1 TYR A 84 -8.428 -4.865 5.692 1.00 0.00 C ATOM 1247 CD2 TYR A 84 -8.908 -3.396 7.507 1.00 0.00 C ATOM 1248 CE1 TYR A 84 -9.678 -5.439 5.820 1.00 0.00 C ATOM 1249 CE2 TYR A 84 -10.159 -3.965 7.643 1.00 0.00 C ATOM 1250 CZ TYR A 84 -10.540 -4.985 6.797 1.00 0.00 C ATOM 1251 OH TYR A 84 -11.786 -5.555 6.928 1.00 0.00 O ATOM 0 H TYR A 84 -5.291 -2.924 8.969 1.00 0.00 H new ATOM 0 HA TYR A 84 -5.627 -5.014 6.944 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -6.695 -2.177 6.734 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -6.384 -3.179 5.331 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -7.755 -5.223 4.927 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -8.614 -2.596 8.170 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -9.979 -6.238 5.159 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -10.835 -3.613 8.408 1.00 0.00 H new ATOM 0 HH TYR A 84 -11.704 -6.531 6.898 1.00 0.00 H new ATOM 1261 N SER A 85 -3.504 -4.265 5.906 1.00 0.00 N ATOM 1262 CA SER A 85 -2.179 -3.914 5.410 1.00 0.00 C ATOM 1263 C SER A 85 -2.277 -3.154 4.090 1.00 0.00 C ATOM 1264 O SER A 85 -3.077 -3.497 3.221 1.00 0.00 O ATOM 1265 CB SER A 85 -1.331 -5.173 5.224 1.00 0.00 C ATOM 1266 OG SER A 85 0.051 -4.876 5.325 1.00 0.00 O ATOM 0 H SER A 85 -3.849 -5.169 5.583 1.00 0.00 H new ATOM 0 HA SER A 85 -1.701 -3.268 6.147 1.00 0.00 H new ATOM 0 HB2 SER A 85 -1.603 -5.913 5.977 1.00 0.00 H new ATOM 0 HB3 SER A 85 -1.541 -5.616 4.251 1.00 0.00 H new ATOM 0 HG SER A 85 0.546 -5.390 4.653 1.00 0.00 H new ATOM 1272 N PHE A 86 -1.456 -2.118 3.949 1.00 0.00 N ATOM 1273 CA PHE A 86 -1.449 -1.308 2.737 1.00 0.00 C ATOM 1274 C PHE A 86 -0.022 -1.050 2.263 1.00 0.00 C ATOM 1275 O PHE A 86 0.861 -0.735 3.060 1.00 0.00 O ATOM 1276 CB PHE A 86 -2.164 0.022 2.984 1.00 0.00 C ATOM 1277 CG PHE A 86 -3.625 -0.132 3.298 1.00 0.00 C ATOM 1278 CD1 PHE A 86 -4.542 -0.378 2.290 1.00 0.00 C ATOM 1279 CD2 PHE A 86 -4.080 -0.030 4.603 1.00 0.00 C ATOM 1280 CE1 PHE A 86 -5.887 -0.520 2.577 1.00 0.00 C ATOM 1281 CE2 PHE A 86 -5.424 -0.171 4.896 1.00 0.00 C ATOM 1282 CZ PHE A 86 -6.328 -0.417 3.882 1.00 0.00 C ATOM 0 H PHE A 86 -0.787 -1.820 4.659 1.00 0.00 H new ATOM 0 HA PHE A 86 -1.977 -1.859 1.959 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -1.676 0.540 3.810 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -2.055 0.653 2.102 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -4.203 -0.460 1.268 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -3.377 0.162 5.400 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -6.592 -0.711 1.782 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -5.766 -0.089 5.917 1.00 0.00 H new ATOM 0 HZ PHE A 86 -7.378 -0.529 4.109 1.00 0.00 H new ATOM 1292 N ARG A 87 0.196 -1.187 0.959 1.00 0.00 N ATOM 1293 CA ARG A 87 1.515 -0.972 0.378 1.00 0.00 C ATOM 1294 C ARG A 87 1.404 -0.316 -0.995 1.00 0.00 C ATOM 1295 O ARG A 87 0.549 -0.681 -1.802 1.00 0.00 O ATOM 1296 CB ARG A 87 2.268 -2.299 0.261 1.00 0.00 C ATOM 1297 CG ARG A 87 1.580 -3.312 -0.639 1.00 0.00 C ATOM 1298 CD ARG A 87 2.534 -4.416 -1.067 1.00 0.00 C ATOM 1299 NE ARG A 87 2.594 -5.497 -0.087 1.00 0.00 N ATOM 1300 CZ ARG A 87 3.538 -6.432 -0.081 1.00 0.00 C ATOM 1301 NH1 ARG A 87 4.497 -6.417 -0.997 1.00 0.00 N ATOM 1302 NH2 ARG A 87 3.525 -7.384 0.844 1.00 0.00 N ATOM 0 H ARG A 87 -0.524 -1.446 0.285 1.00 0.00 H new ATOM 0 HA ARG A 87 2.070 -0.304 1.037 1.00 0.00 H new ATOM 0 HB2 ARG A 87 3.270 -2.106 -0.123 1.00 0.00 H new ATOM 0 HB3 ARG A 87 2.385 -2.730 1.255 1.00 0.00 H new ATOM 0 HG2 ARG A 87 0.730 -3.748 -0.115 1.00 0.00 H new ATOM 0 HG3 ARG A 87 1.186 -2.808 -1.521 1.00 0.00 H new ATOM 0 HD2 ARG A 87 2.216 -4.817 -2.030 1.00 0.00 H new ATOM 0 HD3 ARG A 87 3.531 -3.999 -1.208 1.00 0.00 H new ATOM 0 HE ARG A 87 1.872 -5.536 0.632 1.00 0.00 H new ATOM 0 HH11 ARG A 87 4.511 -5.686 -1.709 1.00 0.00 H new ATOM 0 HH12 ARG A 87 5.220 -7.136 -0.990 1.00 0.00 H new ATOM 0 HH21 ARG A 87 2.790 -7.398 1.551 1.00 0.00 H new ATOM 0 HH22 ARG A 87 4.250 -8.101 0.848 1.00 0.00 H new ATOM 1316 N VAL A 88 2.274 0.655 -1.254 1.00 0.00 N ATOM 1317 CA VAL A 88 2.274 1.362 -2.529 1.00 0.00 C ATOM 1318 C VAL A 88 3.515 1.021 -3.347 1.00 0.00 C ATOM 1319 O VAL A 88 4.640 1.110 -2.855 1.00 0.00 O ATOM 1320 CB VAL A 88 2.211 2.888 -2.325 1.00 0.00 C ATOM 1321 CG1 VAL A 88 2.195 3.606 -3.666 1.00 0.00 C ATOM 1322 CG2 VAL A 88 0.993 3.264 -1.495 1.00 0.00 C ATOM 0 H VAL A 88 2.988 0.970 -0.597 1.00 0.00 H new ATOM 0 HA VAL A 88 1.385 1.038 -3.070 1.00 0.00 H new ATOM 0 HB VAL A 88 3.103 3.202 -1.783 1.00 0.00 H new ATOM 0 HG11 VAL A 88 2.150 4.683 -3.502 1.00 0.00 H new ATOM 0 HG12 VAL A 88 3.101 3.361 -4.221 1.00 0.00 H new ATOM 0 HG13 VAL A 88 1.323 3.290 -4.238 1.00 0.00 H new ATOM 0 HG21 VAL A 88 0.964 4.345 -1.361 1.00 0.00 H new ATOM 0 HG22 VAL A 88 0.088 2.938 -2.008 1.00 0.00 H new ATOM 0 HG23 VAL A 88 1.053 2.779 -0.521 1.00 0.00 H new ATOM 1332 N VAL A 89 3.302 0.630 -4.599 1.00 0.00 N ATOM 1333 CA VAL A 89 4.403 0.276 -5.487 1.00 0.00 C ATOM 1334 C VAL A 89 4.402 1.147 -6.738 1.00 0.00 C ATOM 1335 O VAL A 89 3.364 1.341 -7.370 1.00 0.00 O ATOM 1336 CB VAL A 89 4.334 -1.205 -5.905 1.00 0.00 C ATOM 1337 CG1 VAL A 89 5.455 -1.539 -6.877 1.00 0.00 C ATOM 1338 CG2 VAL A 89 4.391 -2.107 -4.682 1.00 0.00 C ATOM 0 H VAL A 89 2.377 0.550 -5.022 1.00 0.00 H new ATOM 0 HA VAL A 89 5.325 0.446 -4.931 1.00 0.00 H new ATOM 0 HB VAL A 89 3.384 -1.377 -6.411 1.00 0.00 H new ATOM 0 HG11 VAL A 89 5.390 -2.589 -7.161 1.00 0.00 H new ATOM 0 HG12 VAL A 89 5.363 -0.916 -7.767 1.00 0.00 H new ATOM 0 HG13 VAL A 89 6.417 -1.351 -6.401 1.00 0.00 H new ATOM 0 HG21 VAL A 89 4.341 -3.150 -4.996 1.00 0.00 H new ATOM 0 HG22 VAL A 89 5.324 -1.934 -4.145 1.00 0.00 H new ATOM 0 HG23 VAL A 89 3.549 -1.885 -4.027 1.00 0.00 H new ATOM 1348 N ALA A 90 5.572 1.669 -7.091 1.00 0.00 N ATOM 1349 CA ALA A 90 5.707 2.517 -8.269 1.00 0.00 C ATOM 1350 C ALA A 90 5.964 1.683 -9.519 1.00 0.00 C ATOM 1351 O ALA A 90 6.756 0.742 -9.497 1.00 0.00 O ATOM 1352 CB ALA A 90 6.826 3.527 -8.066 1.00 0.00 C ATOM 0 H ALA A 90 6.441 1.519 -6.578 1.00 0.00 H new ATOM 0 HA ALA A 90 4.769 3.054 -8.410 1.00 0.00 H new ATOM 0 HB1 ALA A 90 6.916 4.154 -8.953 1.00 0.00 H new ATOM 0 HB2 ALA A 90 6.600 4.152 -7.202 1.00 0.00 H new ATOM 0 HB3 ALA A 90 7.765 3.000 -7.897 1.00 0.00 H new ATOM 1358 N TYR A 91 5.289 2.035 -10.608 1.00 0.00 N ATOM 1359 CA TYR A 91 5.442 1.317 -11.868 1.00 0.00 C ATOM 1360 C TYR A 91 5.855 2.265 -12.989 1.00 0.00 C ATOM 1361 O TYR A 91 5.061 3.085 -13.448 1.00 0.00 O ATOM 1362 CB TYR A 91 4.137 0.610 -12.238 1.00 0.00 C ATOM 1363 CG TYR A 91 3.903 -0.671 -11.469 1.00 0.00 C ATOM 1364 CD1 TYR A 91 4.380 -1.886 -11.944 1.00 0.00 C ATOM 1365 CD2 TYR A 91 3.204 -0.666 -10.268 1.00 0.00 C ATOM 1366 CE1 TYR A 91 4.168 -3.059 -11.245 1.00 0.00 C ATOM 1367 CE2 TYR A 91 2.989 -1.833 -9.562 1.00 0.00 C ATOM 1368 CZ TYR A 91 3.472 -3.027 -10.054 1.00 0.00 C ATOM 1369 OH TYR A 91 3.259 -4.193 -9.355 1.00 0.00 O ATOM 0 H TYR A 91 4.631 2.813 -10.643 1.00 0.00 H new ATOM 0 HA TYR A 91 6.227 0.572 -11.739 1.00 0.00 H new ATOM 0 HB2 TYR A 91 3.303 1.289 -12.060 1.00 0.00 H new ATOM 0 HB3 TYR A 91 4.144 0.387 -13.305 1.00 0.00 H new ATOM 0 HD1 TYR A 91 4.926 -1.914 -12.875 1.00 0.00 H new ATOM 0 HD2 TYR A 91 2.822 0.267 -9.880 1.00 0.00 H new ATOM 0 HE1 TYR A 91 4.545 -3.996 -11.629 1.00 0.00 H new ATOM 0 HE2 TYR A 91 2.445 -1.811 -8.629 1.00 0.00 H new ATOM 0 HH TYR A 91 2.636 -4.023 -8.618 1.00 0.00 H new ATOM 1379 N ASN A 92 7.105 2.147 -13.424 1.00 0.00 N ATOM 1380 CA ASN A 92 7.626 2.993 -14.492 1.00 0.00 C ATOM 1381 C ASN A 92 7.704 2.223 -15.807 1.00 0.00 C ATOM 1382 O ASN A 92 7.743 0.993 -15.818 1.00 0.00 O ATOM 1383 CB ASN A 92 9.010 3.528 -14.118 1.00 0.00 C ATOM 1384 CG ASN A 92 8.938 4.833 -13.351 1.00 0.00 C ATOM 1385 OD1 ASN A 92 7.943 5.555 -13.425 1.00 0.00 O ATOM 1386 ND2 ASN A 92 9.994 5.143 -12.609 1.00 0.00 N ATOM 0 H ASN A 92 7.776 1.474 -13.054 1.00 0.00 H new ATOM 0 HA ASN A 92 6.943 3.832 -14.623 1.00 0.00 H new ATOM 0 HB2 ASN A 92 9.533 2.785 -13.516 1.00 0.00 H new ATOM 0 HB3 ASN A 92 9.597 3.675 -15.025 1.00 0.00 H new ATOM 0 HD21 ASN A 92 10.002 6.009 -12.071 1.00 0.00 H new ATOM 0 HD22 ASN A 92 10.797 4.515 -12.577 1.00 0.00 H new ATOM 1393 N LYS A 93 7.727 2.957 -16.915 1.00 0.00 N ATOM 1394 CA LYS A 93 7.802 2.345 -18.236 1.00 0.00 C ATOM 1395 C LYS A 93 8.808 1.199 -18.249 1.00 0.00 C ATOM 1396 O LYS A 93 8.661 0.239 -19.006 1.00 0.00 O ATOM 1397 CB LYS A 93 8.192 3.391 -19.283 1.00 0.00 C ATOM 1398 CG LYS A 93 9.606 3.921 -19.117 1.00 0.00 C ATOM 1399 CD LYS A 93 9.782 5.265 -19.804 1.00 0.00 C ATOM 1400 CE LYS A 93 9.868 5.112 -21.315 1.00 0.00 C ATOM 1401 NZ LYS A 93 10.679 6.196 -21.936 1.00 0.00 N ATOM 0 H LYS A 93 7.695 3.976 -16.924 1.00 0.00 H new ATOM 0 HA LYS A 93 6.818 1.944 -18.479 1.00 0.00 H new ATOM 0 HB2 LYS A 93 8.091 2.953 -20.276 1.00 0.00 H new ATOM 0 HB3 LYS A 93 7.492 4.225 -19.230 1.00 0.00 H new ATOM 0 HG2 LYS A 93 9.836 4.021 -18.056 1.00 0.00 H new ATOM 0 HG3 LYS A 93 10.315 3.204 -19.531 1.00 0.00 H new ATOM 0 HD2 LYS A 93 8.946 5.917 -19.550 1.00 0.00 H new ATOM 0 HD3 LYS A 93 10.686 5.748 -19.434 1.00 0.00 H new ATOM 0 HE2 LYS A 93 10.308 4.145 -21.558 1.00 0.00 H new ATOM 0 HE3 LYS A 93 8.864 5.121 -21.739 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 10.714 6.057 -22.966 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 10.246 7.118 -21.726 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 11.645 6.172 -21.550 1.00 0.00 H new ATOM 1415 N HIS A 94 9.830 1.305 -17.405 1.00 0.00 N ATOM 1416 CA HIS A 94 10.859 0.275 -17.318 1.00 0.00 C ATOM 1417 C HIS A 94 10.350 -0.939 -16.547 1.00 0.00 C ATOM 1418 O HIS A 94 10.241 -2.035 -17.096 1.00 0.00 O ATOM 1419 CB HIS A 94 12.113 0.833 -16.643 1.00 0.00 C ATOM 1420 CG HIS A 94 12.491 2.201 -17.121 1.00 0.00 C ATOM 1421 ND1 HIS A 94 13.171 2.426 -18.299 1.00 0.00 N ATOM 1422 CD2 HIS A 94 12.279 3.420 -16.572 1.00 0.00 C ATOM 1423 CE1 HIS A 94 13.363 3.724 -18.453 1.00 0.00 C ATOM 1424 NE2 HIS A 94 12.831 4.350 -17.419 1.00 0.00 N ATOM 0 H HIS A 94 9.967 2.093 -16.772 1.00 0.00 H new ATOM 0 HA HIS A 94 11.109 -0.039 -18.331 1.00 0.00 H new ATOM 0 HB2 HIS A 94 11.952 0.865 -15.565 1.00 0.00 H new ATOM 0 HB3 HIS A 94 12.945 0.152 -16.821 1.00 0.00 H new ATOM 0 HD2 HIS A 94 11.770 3.624 -15.641 1.00 0.00 H new ATOM 0 HE1 HIS A 94 13.869 4.193 -19.284 1.00 0.00 H new ATOM 0 HE2 HIS A 94 12.830 5.360 -17.273 1.00 0.00 H new ATOM 1433 N GLY A 95 10.039 -0.736 -15.270 1.00 0.00 N ATOM 1434 CA GLY A 95 9.546 -1.822 -14.445 1.00 0.00 C ATOM 1435 C GLY A 95 9.294 -1.394 -13.012 1.00 0.00 C ATOM 1436 O GLY A 95 9.637 -0.285 -12.604 1.00 0.00 O ATOM 0 H GLY A 95 10.120 0.162 -14.793 1.00 0.00 H new ATOM 0 HA2 GLY A 95 8.621 -2.209 -14.873 1.00 0.00 H new ATOM 0 HA3 GLY A 95 10.268 -2.639 -14.455 1.00 0.00 H new ATOM 1440 N PRO A 96 8.679 -2.288 -12.223 1.00 0.00 N ATOM 1441 CA PRO A 96 8.367 -2.019 -10.816 1.00 0.00 C ATOM 1442 C PRO A 96 9.618 -1.963 -9.945 1.00 0.00 C ATOM 1443 O PRO A 96 10.302 -2.968 -9.760 1.00 0.00 O ATOM 1444 CB PRO A 96 7.488 -3.205 -10.414 1.00 0.00 C ATOM 1445 CG PRO A 96 7.880 -4.300 -11.346 1.00 0.00 C ATOM 1446 CD PRO A 96 8.242 -3.630 -12.643 1.00 0.00 C ATOM 0 HA PRO A 96 7.885 -1.050 -10.684 1.00 0.00 H new ATOM 0 HB2 PRO A 96 7.658 -3.489 -9.375 1.00 0.00 H new ATOM 0 HB3 PRO A 96 6.429 -2.964 -10.510 1.00 0.00 H new ATOM 0 HG2 PRO A 96 8.723 -4.866 -10.950 1.00 0.00 H new ATOM 0 HG3 PRO A 96 7.061 -5.005 -11.486 1.00 0.00 H new ATOM 0 HD2 PRO A 96 9.035 -4.166 -13.165 1.00 0.00 H new ATOM 0 HD3 PRO A 96 7.390 -3.581 -13.322 1.00 0.00 H new ATOM 1454 N GLY A 97 9.910 -0.780 -9.412 1.00 0.00 N ATOM 1455 CA GLY A 97 11.078 -0.616 -8.567 1.00 0.00 C ATOM 1456 C GLY A 97 10.973 -1.401 -7.274 1.00 0.00 C ATOM 1457 O GLY A 97 10.941 -2.632 -7.287 1.00 0.00 O ATOM 0 H GLY A 97 9.359 0.067 -9.550 1.00 0.00 H new ATOM 0 HA2 GLY A 97 11.965 -0.937 -9.112 1.00 0.00 H new ATOM 0 HA3 GLY A 97 11.211 0.441 -8.337 1.00 0.00 H new ATOM 1461 N VAL A 98 10.922 -0.688 -6.154 1.00 0.00 N ATOM 1462 CA VAL A 98 10.820 -1.325 -4.846 1.00 0.00 C ATOM 1463 C VAL A 98 9.379 -1.334 -4.349 1.00 0.00 C ATOM 1464 O VAL A 98 8.465 -0.911 -5.057 1.00 0.00 O ATOM 1465 CB VAL A 98 11.706 -0.615 -3.805 1.00 0.00 C ATOM 1466 CG1 VAL A 98 13.150 -0.558 -4.282 1.00 0.00 C ATOM 1467 CG2 VAL A 98 11.175 0.781 -3.519 1.00 0.00 C ATOM 0 H VAL A 98 10.950 0.331 -6.126 1.00 0.00 H new ATOM 0 HA VAL A 98 11.166 -2.352 -4.967 1.00 0.00 H new ATOM 0 HB VAL A 98 11.678 -1.187 -2.878 1.00 0.00 H new ATOM 0 HG11 VAL A 98 13.761 -0.053 -3.534 1.00 0.00 H new ATOM 0 HG12 VAL A 98 13.524 -1.571 -4.432 1.00 0.00 H new ATOM 0 HG13 VAL A 98 13.201 -0.009 -5.222 1.00 0.00 H new ATOM 0 HG21 VAL A 98 11.812 1.269 -2.782 1.00 0.00 H new ATOM 0 HG22 VAL A 98 11.172 1.365 -4.439 1.00 0.00 H new ATOM 0 HG23 VAL A 98 10.159 0.711 -3.131 1.00 0.00 H new ATOM 1477 N SER A 99 9.183 -1.818 -3.127 1.00 0.00 N ATOM 1478 CA SER A 99 7.852 -1.886 -2.535 1.00 0.00 C ATOM 1479 C SER A 99 7.863 -1.341 -1.110 1.00 0.00 C ATOM 1480 O SER A 99 8.610 -1.818 -0.256 1.00 0.00 O ATOM 1481 CB SER A 99 7.342 -3.328 -2.539 1.00 0.00 C ATOM 1482 OG SER A 99 6.147 -3.448 -1.787 1.00 0.00 O ATOM 0 H SER A 99 9.929 -2.169 -2.527 1.00 0.00 H new ATOM 0 HA SER A 99 7.182 -1.270 -3.135 1.00 0.00 H new ATOM 0 HB2 SER A 99 7.164 -3.651 -3.565 1.00 0.00 H new ATOM 0 HB3 SER A 99 8.104 -3.988 -2.124 1.00 0.00 H new ATOM 0 HG SER A 99 6.012 -4.385 -1.535 1.00 0.00 H new ATOM 1488 N THR A 100 7.027 -0.338 -0.860 1.00 0.00 N ATOM 1489 CA THR A 100 6.940 0.274 0.460 1.00 0.00 C ATOM 1490 C THR A 100 6.648 -0.771 1.531 1.00 0.00 C ATOM 1491 O THR A 100 6.098 -1.838 1.258 1.00 0.00 O ATOM 1492 CB THR A 100 5.848 1.359 0.505 1.00 0.00 C ATOM 1493 OG1 THR A 100 4.778 1.015 -0.383 1.00 0.00 O ATOM 1494 CG2 THR A 100 6.418 2.716 0.120 1.00 0.00 C ATOM 0 H THR A 100 6.400 0.068 -1.555 1.00 0.00 H new ATOM 0 HA THR A 100 7.907 0.735 0.660 1.00 0.00 H new ATOM 0 HB THR A 100 5.467 1.419 1.525 1.00 0.00 H new ATOM 0 HG1 THR A 100 4.979 1.349 -1.282 1.00 0.00 H new ATOM 0 HG21 THR A 100 5.629 3.467 0.159 1.00 0.00 H new ATOM 0 HG22 THR A 100 7.212 2.988 0.816 1.00 0.00 H new ATOM 0 HG23 THR A 100 6.823 2.667 -0.891 1.00 0.00 H new ATOM 1502 N PRO A 101 7.022 -0.459 2.781 1.00 0.00 N ATOM 1503 CA PRO A 101 6.808 -1.357 3.919 1.00 0.00 C ATOM 1504 C PRO A 101 5.334 -1.485 4.288 1.00 0.00 C ATOM 1505 O PRO A 101 4.617 -0.488 4.372 1.00 0.00 O ATOM 1506 CB PRO A 101 7.587 -0.685 5.053 1.00 0.00 C ATOM 1507 CG PRO A 101 7.628 0.757 4.681 1.00 0.00 C ATOM 1508 CD PRO A 101 7.682 0.796 3.179 1.00 0.00 C ATOM 0 HA PRO A 101 7.136 -2.374 3.703 1.00 0.00 H new ATOM 0 HB2 PRO A 101 7.094 -0.832 6.014 1.00 0.00 H new ATOM 0 HB3 PRO A 101 8.591 -1.099 5.143 1.00 0.00 H new ATOM 0 HG2 PRO A 101 6.748 1.281 5.054 1.00 0.00 H new ATOM 0 HG3 PRO A 101 8.499 1.247 5.116 1.00 0.00 H new ATOM 0 HD2 PRO A 101 7.162 1.667 2.781 1.00 0.00 H new ATOM 0 HD3 PRO A 101 8.708 0.843 2.815 1.00 0.00 H new ATOM 1516 N ASP A 102 4.889 -2.717 4.507 1.00 0.00 N ATOM 1517 CA ASP A 102 3.500 -2.975 4.869 1.00 0.00 C ATOM 1518 C ASP A 102 3.008 -1.959 5.895 1.00 0.00 C ATOM 1519 O ASP A 102 3.675 -1.700 6.896 1.00 0.00 O ATOM 1520 CB ASP A 102 3.350 -4.393 5.423 1.00 0.00 C ATOM 1521 CG ASP A 102 3.941 -5.441 4.501 1.00 0.00 C ATOM 1522 OD1 ASP A 102 3.530 -5.494 3.323 1.00 0.00 O ATOM 1523 OD2 ASP A 102 4.813 -6.209 4.958 1.00 0.00 O ATOM 0 H ASP A 102 5.470 -3.553 4.440 1.00 0.00 H new ATOM 0 HA ASP A 102 2.892 -2.879 3.970 1.00 0.00 H new ATOM 0 HB2 ASP A 102 3.837 -4.453 6.396 1.00 0.00 H new ATOM 0 HB3 ASP A 102 2.293 -4.608 5.582 1.00 0.00 H new ATOM 1528 N VAL A 103 1.836 -1.386 5.638 1.00 0.00 N ATOM 1529 CA VAL A 103 1.254 -0.398 6.539 1.00 0.00 C ATOM 1530 C VAL A 103 -0.049 -0.908 7.145 1.00 0.00 C ATOM 1531 O VAL A 103 -1.135 -0.586 6.666 1.00 0.00 O ATOM 1532 CB VAL A 103 0.984 0.933 5.813 1.00 0.00 C ATOM 1533 CG1 VAL A 103 0.359 1.942 6.764 1.00 0.00 C ATOM 1534 CG2 VAL A 103 2.269 1.481 5.210 1.00 0.00 C ATOM 0 H VAL A 103 1.271 -1.589 4.813 1.00 0.00 H new ATOM 0 HA VAL A 103 1.979 -0.228 7.335 1.00 0.00 H new ATOM 0 HB VAL A 103 0.279 0.749 5.002 1.00 0.00 H new ATOM 0 HG11 VAL A 103 0.175 2.876 6.234 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -0.584 1.549 7.143 1.00 0.00 H new ATOM 0 HG13 VAL A 103 1.037 2.125 7.597 1.00 0.00 H new ATOM 0 HG21 VAL A 103 2.060 2.422 4.701 1.00 0.00 H new ATOM 0 HG22 VAL A 103 2.999 1.651 6.002 1.00 0.00 H new ATOM 0 HG23 VAL A 103 2.670 0.763 4.495 1.00 0.00 H new ATOM 1544 N ALA A 104 0.068 -1.704 8.202 1.00 0.00 N ATOM 1545 CA ALA A 104 -1.100 -2.256 8.876 1.00 0.00 C ATOM 1546 C ALA A 104 -1.798 -1.197 9.722 1.00 0.00 C ATOM 1547 O ALA A 104 -1.192 -0.601 10.613 1.00 0.00 O ATOM 1548 CB ALA A 104 -0.700 -3.444 9.739 1.00 0.00 C ATOM 0 H ALA A 104 0.961 -1.981 8.610 1.00 0.00 H new ATOM 0 HA ALA A 104 -1.801 -2.595 8.113 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -1.583 -3.846 10.236 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -0.254 -4.216 9.112 1.00 0.00 H new ATOM 0 HB3 ALA A 104 0.024 -3.122 10.488 1.00 0.00 H new ATOM 1554 N VAL A 105 -3.075 -0.965 9.436 1.00 0.00 N ATOM 1555 CA VAL A 105 -3.855 0.024 10.172 1.00 0.00 C ATOM 1556 C VAL A 105 -5.194 -0.554 10.617 1.00 0.00 C ATOM 1557 O VAL A 105 -5.798 -1.363 9.913 1.00 0.00 O ATOM 1558 CB VAL A 105 -4.109 1.283 9.322 1.00 0.00 C ATOM 1559 CG1 VAL A 105 -5.069 0.975 8.183 1.00 0.00 C ATOM 1560 CG2 VAL A 105 -4.644 2.412 10.190 1.00 0.00 C ATOM 0 H VAL A 105 -3.591 -1.448 8.701 1.00 0.00 H new ATOM 0 HA VAL A 105 -3.271 0.299 11.050 1.00 0.00 H new ATOM 0 HB VAL A 105 -3.162 1.605 8.889 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -5.236 1.877 7.594 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -4.642 0.200 7.547 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -6.018 0.627 8.591 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -4.818 3.294 9.573 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -5.581 2.102 10.653 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -3.917 2.650 10.966 1.00 0.00 H new ATOM 1570 N ARG A 106 -5.653 -0.132 11.791 1.00 0.00 N ATOM 1571 CA ARG A 106 -6.921 -0.608 12.331 1.00 0.00 C ATOM 1572 C ARG A 106 -8.019 0.433 12.138 1.00 0.00 C ATOM 1573 O ARG A 106 -7.834 1.612 12.445 1.00 0.00 O ATOM 1574 CB ARG A 106 -6.773 -0.940 13.817 1.00 0.00 C ATOM 1575 CG ARG A 106 -7.801 -1.940 14.323 1.00 0.00 C ATOM 1576 CD ARG A 106 -8.035 -1.791 15.818 1.00 0.00 C ATOM 1577 NE ARG A 106 -6.858 -2.167 16.596 1.00 0.00 N ATOM 1578 CZ ARG A 106 -6.410 -3.413 16.696 1.00 0.00 C ATOM 1579 NH1 ARG A 106 -7.037 -4.399 16.068 1.00 0.00 N ATOM 1580 NH2 ARG A 106 -5.332 -3.676 17.423 1.00 0.00 N ATOM 0 H ARG A 106 -5.166 0.538 12.386 1.00 0.00 H new ATOM 0 HA ARG A 106 -7.202 -1.511 11.790 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -5.774 -1.338 13.994 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -6.857 -0.021 14.396 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -8.741 -1.797 13.791 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -7.462 -2.953 14.106 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -8.303 -0.758 16.042 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -8.880 -2.411 16.116 1.00 0.00 H new ATOM 0 HE ARG A 106 -6.352 -1.432 17.090 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -7.865 -4.201 15.507 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -6.691 -5.355 16.146 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -4.846 -2.921 17.906 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -4.989 -4.634 17.499 1.00 0.00 H new ATOM 1594 N THR A 107 -9.164 -0.009 11.628 1.00 0.00 N ATOM 1595 CA THR A 107 -10.292 0.884 11.392 1.00 0.00 C ATOM 1596 C THR A 107 -10.951 1.294 12.704 1.00 0.00 C ATOM 1597 O THR A 107 -10.524 0.879 13.782 1.00 0.00 O ATOM 1598 CB THR A 107 -11.348 0.227 10.483 1.00 0.00 C ATOM 1599 OG1 THR A 107 -11.579 -1.124 10.897 1.00 0.00 O ATOM 1600 CG2 THR A 107 -10.899 0.248 9.030 1.00 0.00 C ATOM 0 H THR A 107 -9.335 -0.981 11.370 1.00 0.00 H new ATOM 0 HA THR A 107 -9.896 1.770 10.895 1.00 0.00 H new ATOM 0 HB THR A 107 -12.274 0.796 10.569 1.00 0.00 H new ATOM 0 HG1 THR A 107 -12.293 -1.515 10.352 1.00 0.00 H new ATOM 0 HG21 THR A 107 -11.660 -0.221 8.407 1.00 0.00 H new ATOM 0 HG22 THR A 107 -10.753 1.279 8.709 1.00 0.00 H new ATOM 0 HG23 THR A 107 -9.961 -0.299 8.931 1.00 0.00 H new ATOM 1608 N LEU A 108 -11.994 2.111 12.606 1.00 0.00 N ATOM 1609 CA LEU A 108 -12.714 2.578 13.785 1.00 0.00 C ATOM 1610 C LEU A 108 -13.685 1.514 14.287 1.00 0.00 C ATOM 1611 O LEU A 108 -14.108 0.639 13.531 1.00 0.00 O ATOM 1612 CB LEU A 108 -13.473 3.867 13.467 1.00 0.00 C ATOM 1613 CG LEU A 108 -12.690 4.936 12.704 1.00 0.00 C ATOM 1614 CD1 LEU A 108 -13.627 6.014 12.182 1.00 0.00 C ATOM 1615 CD2 LEU A 108 -11.616 5.546 13.593 1.00 0.00 C ATOM 0 H LEU A 108 -12.360 2.464 11.722 1.00 0.00 H new ATOM 0 HA LEU A 108 -11.984 2.778 14.570 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -14.359 3.610 12.886 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -13.822 4.300 14.404 1.00 0.00 H new ATOM 0 HG LEU A 108 -12.203 4.463 11.851 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -13.052 6.766 11.642 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -14.359 5.566 11.510 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -14.143 6.484 13.019 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -11.069 6.305 13.034 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -12.083 6.004 14.465 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -10.927 4.767 13.918 1.00 0.00 H new ATOM 1627 N SER A 109 -14.035 1.596 15.567 1.00 0.00 N ATOM 1628 CA SER A 109 -14.954 0.639 16.171 1.00 0.00 C ATOM 1629 C SER A 109 -16.355 1.231 16.288 1.00 0.00 C ATOM 1630 O SER A 109 -16.559 2.244 16.958 1.00 0.00 O ATOM 1631 CB SER A 109 -14.450 0.216 17.552 1.00 0.00 C ATOM 1632 OG SER A 109 -14.610 1.261 18.495 1.00 0.00 O ATOM 0 H SER A 109 -13.696 2.316 16.205 1.00 0.00 H new ATOM 0 HA SER A 109 -15.001 -0.238 15.526 1.00 0.00 H new ATOM 0 HB2 SER A 109 -14.995 -0.667 17.887 1.00 0.00 H new ATOM 0 HB3 SER A 109 -13.398 -0.063 17.489 1.00 0.00 H new ATOM 0 HG SER A 109 -15.255 1.915 18.153 1.00 0.00 H new