USER MOD reduce.3.24.130724 H: found=0, std=0, add=673, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 675 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 98 LYS NZ :NH3+ -177:sc= -0.169 (180deg=-0.186) USER MOD Set 1.2: A 105 SER OG : rot -150:sc= 0 USER MOD Set 2.1: A 39 SER OG : rot -152:sc= -0.2 USER MOD Set 2.2: A 48 TYR OH : rot 15:sc= -0.296 USER MOD Set 3.1: A 34 THR OG1 : rot 180:sc= -0.0811 USER MOD Set 3.2: A 83 THR OG1 : rot 180:sc= 0 USER MOD Set 4.1: A 29 SER OG : rot 180:sc= 0 USER MOD Set 4.2: A 30 HIS : no HD1:sc= -1.76! C(o=-1.8!,f=-2!) USER MOD Single : A 17 ASN : amide:sc= -0.0749 K(o=-0.075,f=-1.2!) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 26 CYS SG : rot 7:sc= -0.678 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 180:sc= -0.826 USER MOD Single : A 36 HIS : no HE2:sc= -0.684 X(o=-0.68,f=-0.71) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= -0.0302 K(o=-0.03,f=-1.4) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 MET CE :methyl 170:sc= -1.64! (180deg=-2.16!) USER MOD Single : A 76 ASN : amide:sc= -6.52! C(o=-6.5!,f=-5.1!) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 GLN : amide:sc= -9.75! C(o=-9.8!,f=-15!) USER MOD Single : A 80 ASN : amide:sc= -0.0883 K(o=-0.088,f=-1.9!) USER MOD Single : A 81 HIS : no HD1:sc= -0.258 X(o=-0.26,f=-0.17) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 HIS : no HD1:sc= -2.73 X(o=-2.7,f=-2.7!) USER MOD Single : A 88 GLN : amide:sc= -0.0265 X(o=-0.027,f=0) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 91 THR OG1 : rot 66:sc= 0.432 USER MOD Single : A 93 TYR OH : rot 165:sc= 0 USER MOD Single : A 101 ASN : amide:sc= -1.97 K(o=-2,f=-11!) USER MOD Single : A 102 GLN : amide:sc= 0 K(o=0,f=-0.64) USER MOD Single : A 107 ASN : amide:sc= -0.159 K(o=-0.16,f=-3.5!) USER MOD Single : A 108 SER OG : rot -83:sc= 1.21 USER MOD Single : A 111 THR OG1 : rot -126:sc= 0.0363 USER MOD Single : A 114 LYS NZ :NH3+ 139:sc= -1.45 (180deg=-4.62!) USER MOD Single : A 115 THR OG1 : rot -174:sc= 0.944 USER MOD Single : A 116 ASN : amide:sc= -1.51 X(o=-1.5,f=-1.2!) USER MOD ----------------------------------------------------------------- ATOM 173 N ALA A 15 -3.753 -16.334 -6.032 1.00 0.00 N ATOM 174 CA ALA A 15 -3.816 -14.910 -5.725 1.00 0.00 C ATOM 175 C ALA A 15 -3.258 -14.623 -4.336 1.00 0.00 C ATOM 176 O ALA A 15 -3.542 -15.329 -3.368 1.00 0.00 O ATOM 177 CB ALA A 15 -5.249 -14.410 -5.834 1.00 0.00 C ATOM 0 HA ALA A 15 -3.201 -14.379 -6.452 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -5.282 -13.345 -5.602 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -5.615 -14.572 -6.848 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -5.879 -14.954 -5.130 1.00 0.00 H new ATOM 183 N PRO A 16 -2.444 -13.561 -4.232 1.00 0.00 N ATOM 184 CA PRO A 16 -1.829 -13.156 -2.965 1.00 0.00 C ATOM 185 C PRO A 16 -2.848 -12.595 -1.979 1.00 0.00 C ATOM 186 O PRO A 16 -3.787 -11.903 -2.370 1.00 0.00 O ATOM 187 CB PRO A 16 -0.835 -12.070 -3.384 1.00 0.00 C ATOM 188 CG PRO A 16 -1.387 -11.522 -4.655 1.00 0.00 C ATOM 189 CD PRO A 16 -2.063 -12.675 -5.344 1.00 0.00 C ATOM 0 HA PRO A 16 -1.368 -13.998 -2.448 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -0.751 -11.295 -2.622 1.00 0.00 H new ATOM 0 HB3 PRO A 16 0.163 -12.482 -3.531 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -2.094 -10.716 -4.458 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -0.595 -11.106 -5.277 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -2.933 -12.348 -5.914 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -1.393 -13.174 -6.044 1.00 0.00 H new ATOM 197 N ASN A 17 -2.655 -12.896 -0.699 1.00 0.00 N ATOM 198 CA ASN A 17 -3.557 -12.421 0.343 1.00 0.00 C ATOM 199 C ASN A 17 -3.589 -10.896 0.381 1.00 0.00 C ATOM 200 O ASN A 17 -2.573 -10.225 0.198 1.00 0.00 O ATOM 201 CB ASN A 17 -3.129 -12.968 1.706 1.00 0.00 C ATOM 202 CG ASN A 17 -3.602 -14.391 1.932 1.00 0.00 C ATOM 203 OD1 ASN A 17 -4.672 -14.783 1.466 1.00 0.00 O ATOM 204 ND2 ASN A 17 -2.805 -15.172 2.652 1.00 0.00 N ATOM 0 H ASN A 17 -1.881 -13.467 -0.359 1.00 0.00 H new ATOM 0 HA ASN A 17 -4.559 -12.782 0.113 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -2.042 -12.932 1.784 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -3.526 -12.327 2.493 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -3.071 -16.139 2.838 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -1.927 -14.805 3.019 1.00 0.00 H new ATOM 211 N PRO A 18 -4.782 -10.335 0.626 1.00 0.00 N ATOM 212 CA PRO A 18 -4.975 -8.883 0.696 1.00 0.00 C ATOM 213 C PRO A 18 -4.324 -8.271 1.931 1.00 0.00 C ATOM 214 O PRO A 18 -4.617 -8.644 3.067 1.00 0.00 O ATOM 215 CB PRO A 18 -6.496 -8.730 0.762 1.00 0.00 C ATOM 216 CG PRO A 18 -6.981 -10.013 1.344 1.00 0.00 C ATOM 217 CD PRO A 18 -6.035 -11.074 0.854 1.00 0.00 C ATOM 0 HA PRO A 18 -4.518 -8.370 -0.150 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -6.782 -7.881 1.383 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -6.920 -8.559 -0.227 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -6.988 -9.969 2.433 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -8.002 -10.224 1.027 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -5.905 -11.868 1.590 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -6.397 -11.544 -0.061 1.00 0.00 H new ATOM 225 N PRO A 19 -3.419 -7.306 1.707 1.00 0.00 N ATOM 226 CA PRO A 19 -2.708 -6.621 2.791 1.00 0.00 C ATOM 227 C PRO A 19 -3.624 -5.709 3.599 1.00 0.00 C ATOM 228 O PRO A 19 -4.579 -5.143 3.067 1.00 0.00 O ATOM 229 CB PRO A 19 -1.648 -5.798 2.054 1.00 0.00 C ATOM 230 CG PRO A 19 -2.215 -5.580 0.694 1.00 0.00 C ATOM 231 CD PRO A 19 -3.019 -6.811 0.379 1.00 0.00 C ATOM 0 HA PRO A 19 -2.295 -7.323 3.516 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -1.459 -4.851 2.560 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -0.697 -6.329 2.006 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -2.841 -4.688 0.671 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -1.423 -5.433 -0.040 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -3.885 -6.578 -0.241 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -2.428 -7.549 -0.164 1.00 0.00 H new ATOM 239 N SER A 20 -3.327 -5.570 4.887 1.00 0.00 N ATOM 240 CA SER A 20 -4.126 -4.728 5.769 1.00 0.00 C ATOM 241 C SER A 20 -3.387 -3.436 6.105 1.00 0.00 C ATOM 242 O SER A 20 -2.316 -3.462 6.713 1.00 0.00 O ATOM 243 CB SER A 20 -4.469 -5.482 7.055 1.00 0.00 C ATOM 244 OG SER A 20 -5.720 -6.140 6.943 1.00 0.00 O ATOM 0 H SER A 20 -2.539 -6.030 5.343 1.00 0.00 H new ATOM 0 HA SER A 20 -5.049 -4.472 5.248 1.00 0.00 H new ATOM 0 HB2 SER A 20 -3.689 -6.212 7.271 1.00 0.00 H new ATOM 0 HB3 SER A 20 -4.495 -4.785 7.893 1.00 0.00 H new ATOM 0 HG SER A 20 -5.915 -6.616 7.777 1.00 0.00 H new ATOM 250 N ILE A 21 -3.966 -2.309 5.706 1.00 0.00 N ATOM 251 CA ILE A 21 -3.364 -1.008 5.965 1.00 0.00 C ATOM 252 C ILE A 21 -3.629 -0.554 7.396 1.00 0.00 C ATOM 253 O ILE A 21 -4.778 -0.349 7.790 1.00 0.00 O ATOM 254 CB ILE A 21 -3.894 0.062 4.993 1.00 0.00 C ATOM 255 CG1 ILE A 21 -3.490 -0.278 3.556 1.00 0.00 C ATOM 256 CG2 ILE A 21 -3.375 1.438 5.383 1.00 0.00 C ATOM 257 CD1 ILE A 21 -4.146 0.607 2.519 1.00 0.00 C ATOM 0 H ILE A 21 -4.852 -2.271 5.202 1.00 0.00 H new ATOM 0 HA ILE A 21 -2.290 -1.123 5.816 1.00 0.00 H new ATOM 0 HB ILE A 21 -4.982 0.076 5.051 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -2.407 -0.193 3.462 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -3.748 -1.317 3.351 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -3.759 2.183 4.686 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -3.708 1.680 6.392 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -2.285 1.439 5.351 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -3.814 0.309 1.524 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -5.229 0.505 2.586 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -3.868 1.646 2.699 1.00 0.00 H new ATOM 269 N ARG A 22 -2.560 -0.398 8.170 1.00 0.00 N ATOM 270 CA ARG A 22 -2.678 0.032 9.558 1.00 0.00 C ATOM 271 C ARG A 22 -2.716 1.554 9.654 1.00 0.00 C ATOM 272 O ARG A 22 -1.806 2.238 9.186 1.00 0.00 O ATOM 273 CB ARG A 22 -1.510 -0.512 10.384 1.00 0.00 C ATOM 274 CG ARG A 22 -1.419 -2.029 10.383 1.00 0.00 C ATOM 275 CD ARG A 22 -2.499 -2.653 11.254 1.00 0.00 C ATOM 276 NE ARG A 22 -2.165 -2.583 12.674 1.00 0.00 N ATOM 277 CZ ARG A 22 -1.307 -3.405 13.268 1.00 0.00 C ATOM 278 NH1 ARG A 22 -0.700 -4.353 12.569 1.00 0.00 N ATOM 279 NH2 ARG A 22 -1.055 -3.278 14.565 1.00 0.00 N ATOM 0 H ARG A 22 -1.603 -0.563 7.859 1.00 0.00 H new ATOM 0 HA ARG A 22 -3.612 -0.364 9.956 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -0.578 -0.100 9.996 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -1.609 -0.163 11.412 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -1.514 -2.400 9.362 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -0.437 -2.336 10.743 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -3.446 -2.142 11.079 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -2.640 -3.695 10.966 1.00 0.00 H new ATOM 0 HE ARG A 22 -2.615 -1.864 13.240 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -0.891 -4.453 11.572 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -0.042 -4.983 13.028 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -1.520 -2.549 15.106 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -0.396 -3.909 15.021 1.00 0.00 H new ATOM 293 N GLU A 23 -3.776 2.077 10.263 1.00 0.00 N ATOM 294 CA GLU A 23 -3.933 3.519 10.419 1.00 0.00 C ATOM 295 C GLU A 23 -3.262 4.004 11.701 1.00 0.00 C ATOM 296 O GLU A 23 -2.948 5.185 11.839 1.00 0.00 O ATOM 297 CB GLU A 23 -5.416 3.894 10.433 1.00 0.00 C ATOM 298 CG GLU A 23 -6.098 3.729 9.085 1.00 0.00 C ATOM 299 CD GLU A 23 -6.115 2.288 8.613 1.00 0.00 C ATOM 300 OE1 GLU A 23 -6.248 1.386 9.466 1.00 0.00 O ATOM 301 OE2 GLU A 23 -5.995 2.062 7.390 1.00 0.00 O ATOM 0 H GLU A 23 -4.538 1.524 10.656 1.00 0.00 H new ATOM 0 HA GLU A 23 -3.451 4.005 9.571 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -5.931 3.277 11.169 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -5.517 4.930 10.758 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -7.122 4.098 9.152 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -5.586 4.344 8.345 1.00 0.00 H new ATOM 308 N GLU A 24 -3.046 3.082 12.634 1.00 0.00 N ATOM 309 CA GLU A 24 -2.414 3.416 13.905 1.00 0.00 C ATOM 310 C GLU A 24 -0.896 3.467 13.761 1.00 0.00 C ATOM 311 O GLU A 24 -0.203 4.075 14.578 1.00 0.00 O ATOM 312 CB GLU A 24 -2.802 2.396 14.977 1.00 0.00 C ATOM 313 CG GLU A 24 -2.194 1.021 14.756 1.00 0.00 C ATOM 314 CD GLU A 24 -2.486 0.064 15.896 1.00 0.00 C ATOM 315 OE1 GLU A 24 -3.564 0.188 16.514 1.00 0.00 O ATOM 316 OE2 GLU A 24 -1.637 -0.810 16.169 1.00 0.00 O ATOM 0 H GLU A 24 -3.299 2.099 12.534 1.00 0.00 H new ATOM 0 HA GLU A 24 -2.766 4.402 14.208 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -2.490 2.770 15.952 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -3.888 2.304 15.003 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -2.580 0.602 13.827 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -1.115 1.120 14.637 1.00 0.00 H new ATOM 323 N LEU A 25 -0.385 2.824 12.717 1.00 0.00 N ATOM 324 CA LEU A 25 1.051 2.794 12.464 1.00 0.00 C ATOM 325 C LEU A 25 1.440 3.824 11.408 1.00 0.00 C ATOM 326 O LEU A 25 2.581 4.286 11.368 1.00 0.00 O ATOM 327 CB LEU A 25 1.481 1.397 12.014 1.00 0.00 C ATOM 328 CG LEU A 25 0.929 0.229 12.831 1.00 0.00 C ATOM 329 CD1 LEU A 25 1.191 -1.090 12.121 1.00 0.00 C ATOM 330 CD2 LEU A 25 1.540 0.217 14.225 1.00 0.00 C ATOM 0 H LEU A 25 -0.944 2.316 12.032 1.00 0.00 H new ATOM 0 HA LEU A 25 1.564 3.043 13.393 1.00 0.00 H new ATOM 0 HB2 LEU A 25 1.179 1.263 10.975 1.00 0.00 H new ATOM 0 HB3 LEU A 25 2.570 1.349 12.038 1.00 0.00 H new ATOM 0 HG LEU A 25 -0.149 0.357 12.930 1.00 0.00 H new ATOM 0 HD11 LEU A 25 0.791 -1.910 12.717 1.00 0.00 H new ATOM 0 HD12 LEU A 25 0.705 -1.081 11.145 1.00 0.00 H new ATOM 0 HD13 LEU A 25 2.265 -1.226 11.991 1.00 0.00 H new ATOM 0 HD21 LEU A 25 1.135 -0.621 14.792 1.00 0.00 H new ATOM 0 HD22 LEU A 25 2.622 0.114 14.147 1.00 0.00 H new ATOM 0 HD23 LEU A 25 1.300 1.150 14.735 1.00 0.00 H new ATOM 342 N CYS A 26 0.485 4.180 10.557 1.00 0.00 N ATOM 343 CA CYS A 26 0.727 5.156 9.501 1.00 0.00 C ATOM 344 C CYS A 26 0.786 6.570 10.071 1.00 0.00 C ATOM 345 O CYS A 26 -0.049 6.958 10.889 1.00 0.00 O ATOM 346 CB CYS A 26 -0.368 5.069 8.436 1.00 0.00 C ATOM 347 SG CYS A 26 -1.886 5.953 8.863 1.00 0.00 S ATOM 0 H CYS A 26 -0.464 3.807 10.577 1.00 0.00 H new ATOM 0 HA CYS A 26 1.689 4.927 9.043 1.00 0.00 H new ATOM 0 HB2 CYS A 26 0.020 5.467 7.498 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -0.608 4.020 8.262 1.00 0.00 H new ATOM 0 HG CYS A 26 -1.700 6.633 9.955 1.00 0.00 H new ATOM 353 N THR A 27 1.781 7.337 9.634 1.00 0.00 N ATOM 354 CA THR A 27 1.952 8.707 10.103 1.00 0.00 C ATOM 355 C THR A 27 1.533 9.709 9.034 1.00 0.00 C ATOM 356 O THR A 27 1.487 9.384 7.848 1.00 0.00 O ATOM 357 CB THR A 27 3.412 8.984 10.507 1.00 0.00 C ATOM 358 OG1 THR A 27 4.240 9.044 9.341 1.00 0.00 O ATOM 359 CG2 THR A 27 3.927 7.904 11.447 1.00 0.00 C ATOM 0 H THR A 27 2.480 7.033 8.956 1.00 0.00 H new ATOM 0 HA THR A 27 1.313 8.825 10.978 1.00 0.00 H new ATOM 0 HB THR A 27 3.447 9.942 11.026 1.00 0.00 H new ATOM 0 HG1 THR A 27 5.166 9.222 9.606 1.00 0.00 H new ATOM 0 HG21 THR A 27 4.960 8.121 11.719 1.00 0.00 H new ATOM 0 HG22 THR A 27 3.312 7.881 12.347 1.00 0.00 H new ATOM 0 HG23 THR A 27 3.878 6.935 10.950 1.00 0.00 H new ATOM 367 N ALA A 28 1.230 10.931 9.461 1.00 0.00 N ATOM 368 CA ALA A 28 0.818 11.982 8.539 1.00 0.00 C ATOM 369 C ALA A 28 1.665 13.237 8.724 1.00 0.00 C ATOM 370 O ALA A 28 1.897 13.681 9.848 1.00 0.00 O ATOM 371 CB ALA A 28 -0.656 12.305 8.732 1.00 0.00 C ATOM 0 H ALA A 28 1.262 11.217 10.440 1.00 0.00 H new ATOM 0 HA ALA A 28 0.969 11.619 7.522 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -0.950 13.092 8.037 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -1.252 11.412 8.543 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -0.824 12.643 9.755 1.00 0.00 H new ATOM 377 N SER A 29 2.125 13.804 7.613 1.00 0.00 N ATOM 378 CA SER A 29 2.950 15.005 7.653 1.00 0.00 C ATOM 379 C SER A 29 2.451 16.041 6.650 1.00 0.00 C ATOM 380 O SER A 29 1.764 15.706 5.685 1.00 0.00 O ATOM 381 CB SER A 29 4.410 14.656 7.359 1.00 0.00 C ATOM 382 OG SER A 29 5.291 15.556 8.009 1.00 0.00 O ATOM 0 H SER A 29 1.940 13.451 6.674 1.00 0.00 H new ATOM 0 HA SER A 29 2.880 15.431 8.654 1.00 0.00 H new ATOM 0 HB2 SER A 29 4.617 13.638 7.689 1.00 0.00 H new ATOM 0 HB3 SER A 29 4.584 14.685 6.283 1.00 0.00 H new ATOM 0 HG SER A 29 6.218 15.310 7.806 1.00 0.00 H new ATOM 388 N HIS A 30 2.801 17.301 6.887 1.00 0.00 N ATOM 389 CA HIS A 30 2.389 18.388 6.005 1.00 0.00 C ATOM 390 C HIS A 30 2.307 17.911 4.558 1.00 0.00 C ATOM 391 O HIS A 30 1.219 17.799 3.992 1.00 0.00 O ATOM 392 CB HIS A 30 3.366 19.559 6.114 1.00 0.00 C ATOM 393 CG HIS A 30 4.776 19.139 6.392 1.00 0.00 C ATOM 394 ND1 HIS A 30 5.223 18.791 7.649 1.00 0.00 N ATOM 395 CD2 HIS A 30 5.841 19.010 5.567 1.00 0.00 C ATOM 396 CE1 HIS A 30 6.503 18.468 7.585 1.00 0.00 C ATOM 397 NE2 HIS A 30 6.902 18.593 6.332 1.00 0.00 N ATOM 0 H HIS A 30 3.369 17.595 7.682 1.00 0.00 H new ATOM 0 HA HIS A 30 1.399 18.721 6.316 1.00 0.00 H new ATOM 0 HB2 HIS A 30 3.342 20.129 5.185 1.00 0.00 H new ATOM 0 HB3 HIS A 30 3.032 20.228 6.907 1.00 0.00 H new ATOM 0 HD2 HIS A 30 5.854 19.200 4.504 1.00 0.00 H new ATOM 0 HE1 HIS A 30 7.118 18.155 8.416 1.00 0.00 H new ATOM 0 HE2 HIS A 30 7.845 18.410 5.989 1.00 0.00 H new ATOM 406 N ASP A 31 3.463 17.633 3.965 1.00 0.00 N ATOM 407 CA ASP A 31 3.522 17.168 2.584 1.00 0.00 C ATOM 408 C ASP A 31 4.158 15.784 2.504 1.00 0.00 C ATOM 409 O ASP A 31 4.998 15.523 1.642 1.00 0.00 O ATOM 410 CB ASP A 31 4.311 18.156 1.724 1.00 0.00 C ATOM 411 CG ASP A 31 5.741 18.323 2.198 1.00 0.00 C ATOM 412 OD1 ASP A 31 6.232 17.434 2.926 1.00 0.00 O ATOM 413 OD2 ASP A 31 6.370 19.341 1.842 1.00 0.00 O ATOM 0 H ASP A 31 4.372 17.722 4.419 1.00 0.00 H new ATOM 0 HA ASP A 31 2.502 17.102 2.205 1.00 0.00 H new ATOM 0 HB2 ASP A 31 4.312 17.812 0.690 1.00 0.00 H new ATOM 0 HB3 ASP A 31 3.811 19.125 1.738 1.00 0.00 H new ATOM 418 N THR A 32 3.752 14.898 3.408 1.00 0.00 N ATOM 419 CA THR A 32 4.283 13.541 3.441 1.00 0.00 C ATOM 420 C THR A 32 3.370 12.612 4.232 1.00 0.00 C ATOM 421 O THR A 32 2.621 13.056 5.103 1.00 0.00 O ATOM 422 CB THR A 32 5.694 13.505 4.060 1.00 0.00 C ATOM 423 OG1 THR A 32 6.383 14.728 3.780 1.00 0.00 O ATOM 424 CG2 THR A 32 6.493 12.331 3.515 1.00 0.00 C ATOM 0 H THR A 32 3.057 15.096 4.127 1.00 0.00 H new ATOM 0 HA THR A 32 4.338 13.198 2.408 1.00 0.00 H new ATOM 0 HB THR A 32 5.591 13.385 5.139 1.00 0.00 H new ATOM 0 HG1 THR A 32 7.278 14.698 4.178 1.00 0.00 H new ATOM 0 HG21 THR A 32 7.485 12.326 3.966 1.00 0.00 H new ATOM 0 HG22 THR A 32 5.980 11.399 3.755 1.00 0.00 H new ATOM 0 HG23 THR A 32 6.587 12.425 2.433 1.00 0.00 H new ATOM 432 N ILE A 33 3.437 11.321 3.924 1.00 0.00 N ATOM 433 CA ILE A 33 2.616 10.329 4.609 1.00 0.00 C ATOM 434 C ILE A 33 3.242 8.942 4.519 1.00 0.00 C ATOM 435 O ILE A 33 3.608 8.481 3.437 1.00 0.00 O ATOM 436 CB ILE A 33 1.193 10.277 4.024 1.00 0.00 C ATOM 437 CG1 ILE A 33 0.472 11.606 4.259 1.00 0.00 C ATOM 438 CG2 ILE A 33 0.409 9.127 4.640 1.00 0.00 C ATOM 439 CD1 ILE A 33 -0.984 11.585 3.847 1.00 0.00 C ATOM 0 H ILE A 33 4.051 10.937 3.205 1.00 0.00 H new ATOM 0 HA ILE A 33 2.559 10.632 5.654 1.00 0.00 H new ATOM 0 HB ILE A 33 1.264 10.109 2.949 1.00 0.00 H new ATOM 0 HG12 ILE A 33 0.538 11.864 5.316 1.00 0.00 H new ATOM 0 HG13 ILE A 33 0.986 12.392 3.706 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -0.595 9.103 4.217 1.00 0.00 H new ATOM 0 HG22 ILE A 33 0.915 8.186 4.426 1.00 0.00 H new ATOM 0 HG23 ILE A 33 0.344 9.267 5.719 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -1.431 12.560 4.042 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -1.058 11.358 2.783 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -1.513 10.822 4.418 1.00 0.00 H new ATOM 451 N THR A 34 3.361 8.277 5.665 1.00 0.00 N ATOM 452 CA THR A 34 3.942 6.941 5.717 1.00 0.00 C ATOM 453 C THR A 34 2.880 5.892 6.022 1.00 0.00 C ATOM 454 O THR A 34 2.419 5.772 7.157 1.00 0.00 O ATOM 455 CB THR A 34 5.055 6.853 6.778 1.00 0.00 C ATOM 456 OG1 THR A 34 5.952 7.961 6.641 1.00 0.00 O ATOM 457 CG2 THR A 34 5.827 5.549 6.646 1.00 0.00 C ATOM 0 H THR A 34 3.063 8.642 6.569 1.00 0.00 H new ATOM 0 HA THR A 34 4.371 6.744 4.735 1.00 0.00 H new ATOM 0 HB THR A 34 4.590 6.883 7.763 1.00 0.00 H new ATOM 0 HG1 THR A 34 6.656 7.898 7.320 1.00 0.00 H new ATOM 0 HG21 THR A 34 6.608 5.510 7.406 1.00 0.00 H new ATOM 0 HG22 THR A 34 5.147 4.708 6.781 1.00 0.00 H new ATOM 0 HG23 THR A 34 6.281 5.493 5.656 1.00 0.00 H new ATOM 465 N VAL A 35 2.495 5.131 5.001 1.00 0.00 N ATOM 466 CA VAL A 35 1.488 4.090 5.161 1.00 0.00 C ATOM 467 C VAL A 35 2.132 2.751 5.503 1.00 0.00 C ATOM 468 O VAL A 35 3.082 2.321 4.848 1.00 0.00 O ATOM 469 CB VAL A 35 0.640 3.928 3.886 1.00 0.00 C ATOM 470 CG1 VAL A 35 -0.425 2.860 4.083 1.00 0.00 C ATOM 471 CG2 VAL A 35 0.008 5.256 3.495 1.00 0.00 C ATOM 0 H VAL A 35 2.866 5.217 4.055 1.00 0.00 H new ATOM 0 HA VAL A 35 0.841 4.399 5.982 1.00 0.00 H new ATOM 0 HB VAL A 35 1.294 3.609 3.075 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -1.014 2.761 3.171 1.00 0.00 H new ATOM 0 HG12 VAL A 35 0.053 1.908 4.312 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -1.079 3.146 4.907 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -0.588 5.124 2.592 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -0.633 5.606 4.304 1.00 0.00 H new ATOM 0 HG23 VAL A 35 0.791 5.991 3.308 1.00 0.00 H new ATOM 481 N HIS A 36 1.608 2.094 6.533 1.00 0.00 N ATOM 482 CA HIS A 36 2.131 0.801 6.962 1.00 0.00 C ATOM 483 C HIS A 36 1.131 -0.314 6.669 1.00 0.00 C ATOM 484 O HIS A 36 -0.002 -0.286 7.149 1.00 0.00 O ATOM 485 CB HIS A 36 2.458 0.830 8.455 1.00 0.00 C ATOM 486 CG HIS A 36 3.585 1.752 8.804 1.00 0.00 C ATOM 487 ND1 HIS A 36 4.651 1.373 9.592 1.00 0.00 N ATOM 488 CD2 HIS A 36 3.809 3.044 8.466 1.00 0.00 C ATOM 489 CE1 HIS A 36 5.482 2.392 9.725 1.00 0.00 C ATOM 490 NE2 HIS A 36 4.994 3.418 9.051 1.00 0.00 N ATOM 0 H HIS A 36 0.822 2.435 7.086 1.00 0.00 H new ATOM 0 HA HIS A 36 3.044 0.602 6.402 1.00 0.00 H new ATOM 0 HB2 HIS A 36 1.568 1.132 9.007 1.00 0.00 H new ATOM 0 HB3 HIS A 36 2.710 -0.179 8.783 1.00 0.00 H new ATOM 0 HD1 HIS A 36 4.778 0.450 10.007 1.00 0.00 H new ATOM 0 HD2 HIS A 36 3.174 3.665 7.851 1.00 0.00 H new ATOM 0 HE1 HIS A 36 6.403 2.387 10.289 1.00 0.00 H new ATOM 499 N TRP A 37 1.558 -1.291 5.878 1.00 0.00 N ATOM 500 CA TRP A 37 0.700 -2.415 5.521 1.00 0.00 C ATOM 501 C TRP A 37 1.169 -3.696 6.202 1.00 0.00 C ATOM 502 O TRP A 37 2.369 -3.940 6.327 1.00 0.00 O ATOM 503 CB TRP A 37 0.682 -2.607 4.003 1.00 0.00 C ATOM 504 CG TRP A 37 2.044 -2.548 3.381 1.00 0.00 C ATOM 505 CD1 TRP A 37 2.942 -3.572 3.275 1.00 0.00 C ATOM 506 CD2 TRP A 37 2.663 -1.406 2.780 1.00 0.00 C ATOM 507 NE1 TRP A 37 4.082 -3.135 2.645 1.00 0.00 N ATOM 508 CE2 TRP A 37 3.935 -1.809 2.330 1.00 0.00 C ATOM 509 CE3 TRP A 37 2.266 -0.081 2.577 1.00 0.00 C ATOM 510 CZ2 TRP A 37 4.811 -0.935 1.692 1.00 0.00 C ATOM 511 CZ3 TRP A 37 3.136 0.785 1.943 1.00 0.00 C ATOM 512 CH2 TRP A 37 4.396 0.356 1.506 1.00 0.00 C ATOM 0 H TRP A 37 2.493 -1.328 5.472 1.00 0.00 H new ATOM 0 HA TRP A 37 -0.310 -2.192 5.864 1.00 0.00 H new ATOM 0 HB2 TRP A 37 0.226 -3.569 3.771 1.00 0.00 H new ATOM 0 HB3 TRP A 37 0.052 -1.839 3.554 1.00 0.00 H new ATOM 0 HD1 TRP A 37 2.780 -4.578 3.634 1.00 0.00 H new ATOM 0 HE1 TRP A 37 4.904 -3.705 2.444 1.00 0.00 H new ATOM 0 HE3 TRP A 37 1.297 0.260 2.910 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 5.783 -1.264 1.356 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 2.839 1.811 1.781 1.00 0.00 H new ATOM 0 HH2 TRP A 37 5.053 1.057 1.013 1.00 0.00 H new ATOM 523 N ILE A 38 0.215 -4.511 6.641 1.00 0.00 N ATOM 524 CA ILE A 38 0.532 -5.767 7.309 1.00 0.00 C ATOM 525 C ILE A 38 -0.027 -6.957 6.535 1.00 0.00 C ATOM 526 O ILE A 38 -1.162 -6.922 6.058 1.00 0.00 O ATOM 527 CB ILE A 38 -0.023 -5.797 8.745 1.00 0.00 C ATOM 528 CG1 ILE A 38 0.450 -7.058 9.472 1.00 0.00 C ATOM 529 CG2 ILE A 38 -1.543 -5.727 8.728 1.00 0.00 C ATOM 530 CD1 ILE A 38 1.826 -6.922 10.083 1.00 0.00 C ATOM 0 H ILE A 38 -0.783 -4.324 6.546 1.00 0.00 H new ATOM 0 HA ILE A 38 1.619 -5.839 7.347 1.00 0.00 H new ATOM 0 HB ILE A 38 0.355 -4.927 9.283 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -0.265 -7.305 10.257 1.00 0.00 H new ATOM 0 HG13 ILE A 38 0.454 -7.892 8.771 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -1.920 -5.749 9.751 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -1.859 -4.803 8.245 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -1.940 -6.579 8.176 1.00 0.00 H new ATOM 0 HD11 ILE A 38 2.096 -7.853 10.582 1.00 0.00 H new ATOM 0 HD12 ILE A 38 2.552 -6.706 9.299 1.00 0.00 H new ATOM 0 HD13 ILE A 38 1.823 -6.109 10.809 1.00 0.00 H new ATOM 542 N SER A 39 0.776 -8.009 6.416 1.00 0.00 N ATOM 543 CA SER A 39 0.363 -9.209 5.699 1.00 0.00 C ATOM 544 C SER A 39 0.753 -10.465 6.472 1.00 0.00 C ATOM 545 O SER A 39 1.666 -10.440 7.298 1.00 0.00 O ATOM 546 CB SER A 39 0.992 -9.238 4.305 1.00 0.00 C ATOM 547 OG SER A 39 2.402 -9.114 4.379 1.00 0.00 O ATOM 0 H SER A 39 1.717 -8.055 6.807 1.00 0.00 H new ATOM 0 HA SER A 39 -0.722 -9.187 5.599 1.00 0.00 H new ATOM 0 HB2 SER A 39 0.732 -10.171 3.804 1.00 0.00 H new ATOM 0 HB3 SER A 39 0.584 -8.427 3.701 1.00 0.00 H new ATOM 0 HG SER A 39 2.738 -8.704 3.555 1.00 0.00 H new ATOM 553 N ASP A 40 0.056 -11.562 6.197 1.00 0.00 N ATOM 554 CA ASP A 40 0.330 -12.829 6.864 1.00 0.00 C ATOM 555 C ASP A 40 1.443 -13.590 6.152 1.00 0.00 C ATOM 556 O ASP A 40 2.182 -14.354 6.772 1.00 0.00 O ATOM 557 CB ASP A 40 -0.937 -13.685 6.918 1.00 0.00 C ATOM 558 CG ASP A 40 -2.119 -12.934 7.497 1.00 0.00 C ATOM 559 OD1 ASP A 40 -2.674 -12.065 6.793 1.00 0.00 O ATOM 560 OD2 ASP A 40 -2.491 -13.217 8.655 1.00 0.00 O ATOM 0 H ASP A 40 -0.703 -11.599 5.517 1.00 0.00 H new ATOM 0 HA ASP A 40 0.657 -12.612 7.881 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -1.184 -14.026 5.913 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -0.746 -14.574 7.519 1.00 0.00 H new ATOM 565 N ASP A 41 1.556 -13.376 4.845 1.00 0.00 N ATOM 566 CA ASP A 41 2.579 -14.042 4.048 1.00 0.00 C ATOM 567 C ASP A 41 3.183 -13.082 3.028 1.00 0.00 C ATOM 568 O ASP A 41 2.557 -12.759 2.018 1.00 0.00 O ATOM 569 CB ASP A 41 1.989 -15.259 3.333 1.00 0.00 C ATOM 570 CG ASP A 41 1.588 -16.358 4.297 1.00 0.00 C ATOM 571 OD1 ASP A 41 2.455 -17.185 4.647 1.00 0.00 O ATOM 572 OD2 ASP A 41 0.406 -16.391 4.702 1.00 0.00 O ATOM 0 H ASP A 41 0.952 -12.747 4.316 1.00 0.00 H new ATOM 0 HA ASP A 41 3.369 -14.374 4.721 1.00 0.00 H new ATOM 0 HB2 ASP A 41 1.118 -14.950 2.755 1.00 0.00 H new ATOM 0 HB3 ASP A 41 2.719 -15.650 2.624 1.00 0.00 H new ATOM 577 N GLU A 42 4.403 -12.627 3.299 1.00 0.00 N ATOM 578 CA GLU A 42 5.089 -11.702 2.406 1.00 0.00 C ATOM 579 C GLU A 42 6.394 -12.306 1.895 1.00 0.00 C ATOM 580 O GLU A 42 7.301 -11.588 1.473 1.00 0.00 O ATOM 581 CB GLU A 42 5.373 -10.381 3.123 1.00 0.00 C ATOM 582 CG GLU A 42 6.431 -10.492 4.208 1.00 0.00 C ATOM 583 CD GLU A 42 6.329 -9.384 5.238 1.00 0.00 C ATOM 584 OE1 GLU A 42 5.951 -8.255 4.861 1.00 0.00 O ATOM 585 OE2 GLU A 42 6.629 -9.646 6.422 1.00 0.00 O ATOM 0 H GLU A 42 4.936 -12.884 4.130 1.00 0.00 H new ATOM 0 HA GLU A 42 4.438 -11.511 1.553 1.00 0.00 H new ATOM 0 HB2 GLU A 42 5.693 -9.641 2.390 1.00 0.00 H new ATOM 0 HB3 GLU A 42 4.448 -10.012 3.566 1.00 0.00 H new ATOM 0 HG2 GLU A 42 6.335 -11.456 4.707 1.00 0.00 H new ATOM 0 HG3 GLU A 42 7.420 -10.467 3.750 1.00 0.00 H new ATOM 592 N PHE A 43 6.482 -13.632 1.938 1.00 0.00 N ATOM 593 CA PHE A 43 7.676 -14.333 1.481 1.00 0.00 C ATOM 594 C PHE A 43 7.572 -14.676 -0.002 1.00 0.00 C ATOM 595 O PHE A 43 8.551 -14.583 -0.742 1.00 0.00 O ATOM 596 CB PHE A 43 7.887 -15.610 2.298 1.00 0.00 C ATOM 597 CG PHE A 43 7.638 -15.429 3.768 1.00 0.00 C ATOM 598 CD1 PHE A 43 8.629 -14.927 4.595 1.00 0.00 C ATOM 599 CD2 PHE A 43 6.412 -15.761 4.322 1.00 0.00 C ATOM 600 CE1 PHE A 43 8.403 -14.761 5.948 1.00 0.00 C ATOM 601 CE2 PHE A 43 6.180 -15.596 5.675 1.00 0.00 C ATOM 602 CZ PHE A 43 7.176 -15.094 6.489 1.00 0.00 C ATOM 0 H PHE A 43 5.741 -14.242 2.284 1.00 0.00 H new ATOM 0 HA PHE A 43 8.531 -13.673 1.623 1.00 0.00 H new ATOM 0 HB2 PHE A 43 7.225 -16.388 1.919 1.00 0.00 H new ATOM 0 HB3 PHE A 43 8.908 -15.961 2.151 1.00 0.00 H new ATOM 0 HD1 PHE A 43 9.589 -14.662 4.178 1.00 0.00 H new ATOM 0 HD2 PHE A 43 5.629 -16.153 3.690 1.00 0.00 H new ATOM 0 HE1 PHE A 43 9.185 -14.371 6.582 1.00 0.00 H new ATOM 0 HE2 PHE A 43 5.220 -15.860 6.095 1.00 0.00 H new ATOM 0 HZ PHE A 43 6.996 -14.962 7.546 1.00 0.00 H new ATOM 612 N SER A 44 6.378 -15.074 -0.429 1.00 0.00 N ATOM 613 CA SER A 44 6.145 -15.435 -1.822 1.00 0.00 C ATOM 614 C SER A 44 6.079 -14.191 -2.702 1.00 0.00 C ATOM 615 O SER A 44 6.654 -14.156 -3.791 1.00 0.00 O ATOM 616 CB SER A 44 4.849 -16.236 -1.954 1.00 0.00 C ATOM 617 OG SER A 44 4.831 -17.329 -1.052 1.00 0.00 O ATOM 0 H SER A 44 5.557 -15.155 0.170 1.00 0.00 H new ATOM 0 HA SER A 44 6.980 -16.051 -2.156 1.00 0.00 H new ATOM 0 HB2 SER A 44 3.995 -15.587 -1.761 1.00 0.00 H new ATOM 0 HB3 SER A 44 4.746 -16.602 -2.976 1.00 0.00 H new ATOM 0 HG SER A 44 3.992 -17.824 -1.155 1.00 0.00 H new ATOM 623 N ILE A 45 5.375 -13.171 -2.223 1.00 0.00 N ATOM 624 CA ILE A 45 5.234 -11.925 -2.964 1.00 0.00 C ATOM 625 C ILE A 45 6.573 -11.471 -3.536 1.00 0.00 C ATOM 626 O ILE A 45 7.564 -11.364 -2.814 1.00 0.00 O ATOM 627 CB ILE A 45 4.661 -10.804 -2.077 1.00 0.00 C ATOM 628 CG1 ILE A 45 3.290 -11.207 -1.530 1.00 0.00 C ATOM 629 CG2 ILE A 45 4.562 -9.504 -2.863 1.00 0.00 C ATOM 630 CD1 ILE A 45 2.663 -10.158 -0.638 1.00 0.00 C ATOM 0 H ILE A 45 4.893 -13.184 -1.324 1.00 0.00 H new ATOM 0 HA ILE A 45 4.540 -12.121 -3.781 1.00 0.00 H new ATOM 0 HB ILE A 45 5.336 -10.647 -1.235 1.00 0.00 H new ATOM 0 HG12 ILE A 45 2.620 -11.410 -2.365 1.00 0.00 H new ATOM 0 HG13 ILE A 45 3.390 -12.136 -0.969 1.00 0.00 H new ATOM 0 HG21 ILE A 45 4.155 -8.722 -2.222 1.00 0.00 H new ATOM 0 HG22 ILE A 45 5.553 -9.211 -3.208 1.00 0.00 H new ATOM 0 HG23 ILE A 45 3.906 -9.647 -3.722 1.00 0.00 H new ATOM 0 HD11 ILE A 45 1.694 -10.511 -0.287 1.00 0.00 H new ATOM 0 HD12 ILE A 45 3.313 -9.972 0.217 1.00 0.00 H new ATOM 0 HD13 ILE A 45 2.530 -9.234 -1.201 1.00 0.00 H new ATOM 642 N SER A 46 6.594 -11.203 -4.838 1.00 0.00 N ATOM 643 CA SER A 46 7.811 -10.762 -5.508 1.00 0.00 C ATOM 644 C SER A 46 8.068 -9.281 -5.249 1.00 0.00 C ATOM 645 O SER A 46 9.205 -8.868 -5.019 1.00 0.00 O ATOM 646 CB SER A 46 7.712 -11.018 -7.013 1.00 0.00 C ATOM 647 OG SER A 46 8.998 -11.097 -7.603 1.00 0.00 O ATOM 0 H SER A 46 5.782 -11.284 -5.449 1.00 0.00 H new ATOM 0 HA SER A 46 8.646 -11.334 -5.103 1.00 0.00 H new ATOM 0 HB2 SER A 46 7.169 -11.946 -7.192 1.00 0.00 H new ATOM 0 HB3 SER A 46 7.141 -10.218 -7.484 1.00 0.00 H new ATOM 0 HG SER A 46 8.907 -11.263 -8.565 1.00 0.00 H new ATOM 653 N SER A 47 7.003 -8.486 -5.287 1.00 0.00 N ATOM 654 CA SER A 47 7.113 -7.050 -5.060 1.00 0.00 C ATOM 655 C SER A 47 5.752 -6.448 -4.724 1.00 0.00 C ATOM 656 O SER A 47 4.711 -6.988 -5.102 1.00 0.00 O ATOM 657 CB SER A 47 7.697 -6.360 -6.294 1.00 0.00 C ATOM 658 OG SER A 47 6.933 -6.651 -7.451 1.00 0.00 O ATOM 0 H SER A 47 6.055 -8.812 -5.473 1.00 0.00 H new ATOM 0 HA SER A 47 7.781 -6.891 -4.214 1.00 0.00 H new ATOM 0 HB2 SER A 47 7.723 -5.282 -6.133 1.00 0.00 H new ATOM 0 HB3 SER A 47 8.727 -6.685 -6.443 1.00 0.00 H new ATOM 0 HG SER A 47 7.326 -6.197 -8.225 1.00 0.00 H new ATOM 664 N TYR A 48 5.768 -5.327 -4.011 1.00 0.00 N ATOM 665 CA TYR A 48 4.536 -4.652 -3.621 1.00 0.00 C ATOM 666 C TYR A 48 4.274 -3.440 -4.509 1.00 0.00 C ATOM 667 O TYR A 48 5.195 -2.886 -5.107 1.00 0.00 O ATOM 668 CB TYR A 48 4.609 -4.219 -2.156 1.00 0.00 C ATOM 669 CG TYR A 48 4.059 -5.246 -1.192 1.00 0.00 C ATOM 670 CD1 TYR A 48 2.694 -5.495 -1.115 1.00 0.00 C ATOM 671 CD2 TYR A 48 4.904 -5.968 -0.358 1.00 0.00 C ATOM 672 CE1 TYR A 48 2.187 -6.432 -0.236 1.00 0.00 C ATOM 673 CE2 TYR A 48 4.407 -6.908 0.523 1.00 0.00 C ATOM 674 CZ TYR A 48 3.048 -7.136 0.581 1.00 0.00 C ATOM 675 OH TYR A 48 2.548 -8.071 1.458 1.00 0.00 O ATOM 0 H TYR A 48 6.620 -4.867 -3.692 1.00 0.00 H new ATOM 0 HA TYR A 48 3.712 -5.355 -3.745 1.00 0.00 H new ATOM 0 HB2 TYR A 48 5.648 -4.011 -1.899 1.00 0.00 H new ATOM 0 HB3 TYR A 48 4.058 -3.287 -2.034 1.00 0.00 H new ATOM 0 HD1 TYR A 48 2.018 -4.946 -1.754 1.00 0.00 H new ATOM 0 HD2 TYR A 48 5.969 -5.791 -0.400 1.00 0.00 H new ATOM 0 HE1 TYR A 48 1.123 -6.613 -0.188 1.00 0.00 H new ATOM 0 HE2 TYR A 48 5.078 -7.461 1.163 1.00 0.00 H new ATOM 0 HH TYR A 48 1.623 -8.284 1.216 1.00 0.00 H new ATOM 685 N GLU A 49 3.010 -3.034 -4.588 1.00 0.00 N ATOM 686 CA GLU A 49 2.627 -1.887 -5.403 1.00 0.00 C ATOM 687 C GLU A 49 1.807 -0.891 -4.589 1.00 0.00 C ATOM 688 O GLU A 49 0.799 -1.250 -3.979 1.00 0.00 O ATOM 689 CB GLU A 49 1.826 -2.346 -6.624 1.00 0.00 C ATOM 690 CG GLU A 49 1.963 -1.424 -7.823 1.00 0.00 C ATOM 691 CD GLU A 49 3.113 -1.813 -8.731 1.00 0.00 C ATOM 692 OE1 GLU A 49 3.461 -3.013 -8.765 1.00 0.00 O ATOM 693 OE2 GLU A 49 3.666 -0.920 -9.406 1.00 0.00 O ATOM 0 H GLU A 49 2.235 -3.482 -4.098 1.00 0.00 H new ATOM 0 HA GLU A 49 3.538 -1.392 -5.740 1.00 0.00 H new ATOM 0 HB2 GLU A 49 2.152 -3.347 -6.907 1.00 0.00 H new ATOM 0 HB3 GLU A 49 0.773 -2.419 -6.351 1.00 0.00 H new ATOM 0 HG2 GLU A 49 1.034 -1.436 -8.394 1.00 0.00 H new ATOM 0 HG3 GLU A 49 2.110 -0.401 -7.475 1.00 0.00 H new ATOM 700 N LEU A 50 2.247 0.363 -4.583 1.00 0.00 N ATOM 701 CA LEU A 50 1.555 1.413 -3.843 1.00 0.00 C ATOM 702 C LEU A 50 0.667 2.237 -4.770 1.00 0.00 C ATOM 703 O LEU A 50 0.977 2.413 -5.948 1.00 0.00 O ATOM 704 CB LEU A 50 2.567 2.324 -3.146 1.00 0.00 C ATOM 705 CG LEU A 50 2.006 3.246 -2.063 1.00 0.00 C ATOM 706 CD1 LEU A 50 1.712 2.461 -0.794 1.00 0.00 C ATOM 707 CD2 LEU A 50 2.974 4.384 -1.777 1.00 0.00 C ATOM 0 H LEU A 50 3.079 0.677 -5.082 1.00 0.00 H new ATOM 0 HA LEU A 50 0.924 0.939 -3.092 1.00 0.00 H new ATOM 0 HB2 LEU A 50 3.340 1.699 -2.698 1.00 0.00 H new ATOM 0 HB3 LEU A 50 3.053 2.940 -3.903 1.00 0.00 H new ATOM 0 HG LEU A 50 1.071 3.674 -2.425 1.00 0.00 H new ATOM 0 HD11 LEU A 50 1.314 3.133 -0.034 1.00 0.00 H new ATOM 0 HD12 LEU A 50 0.980 1.682 -1.009 1.00 0.00 H new ATOM 0 HD13 LEU A 50 2.631 2.004 -0.428 1.00 0.00 H new ATOM 0 HD21 LEU A 50 2.558 5.030 -1.004 1.00 0.00 H new ATOM 0 HD22 LEU A 50 3.925 3.975 -1.436 1.00 0.00 H new ATOM 0 HD23 LEU A 50 3.134 4.963 -2.686 1.00 0.00 H new ATOM 719 N GLN A 51 -0.438 2.740 -4.228 1.00 0.00 N ATOM 720 CA GLN A 51 -1.371 3.546 -5.007 1.00 0.00 C ATOM 721 C GLN A 51 -2.032 4.608 -4.134 1.00 0.00 C ATOM 722 O GLN A 51 -2.787 4.288 -3.216 1.00 0.00 O ATOM 723 CB GLN A 51 -2.438 2.656 -5.645 1.00 0.00 C ATOM 724 CG GLN A 51 -1.866 1.539 -6.502 1.00 0.00 C ATOM 725 CD GLN A 51 -2.859 1.020 -7.524 1.00 0.00 C ATOM 726 OE1 GLN A 51 -4.021 1.425 -7.538 1.00 0.00 O ATOM 727 NE2 GLN A 51 -2.405 0.118 -8.386 1.00 0.00 N ATOM 0 H GLN A 51 -0.709 2.604 -3.254 1.00 0.00 H new ATOM 0 HA GLN A 51 -0.809 4.047 -5.795 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -3.053 2.220 -4.858 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -3.095 3.273 -6.258 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -0.976 1.901 -7.017 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -1.550 0.718 -5.858 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -1.434 -0.190 -8.338 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -3.028 -0.267 -9.096 1.00 0.00 H new ATOM 736 N TYR A 52 -1.743 5.871 -4.427 1.00 0.00 N ATOM 737 CA TYR A 52 -2.308 6.980 -3.667 1.00 0.00 C ATOM 738 C TYR A 52 -2.923 8.021 -4.597 1.00 0.00 C ATOM 739 O TYR A 52 -2.476 8.200 -5.731 1.00 0.00 O ATOM 740 CB TYR A 52 -1.231 7.630 -2.797 1.00 0.00 C ATOM 741 CG TYR A 52 -0.075 8.200 -3.588 1.00 0.00 C ATOM 742 CD1 TYR A 52 0.851 7.366 -4.201 1.00 0.00 C ATOM 743 CD2 TYR A 52 0.089 9.573 -3.724 1.00 0.00 C ATOM 744 CE1 TYR A 52 1.909 7.882 -4.924 1.00 0.00 C ATOM 745 CE2 TYR A 52 1.143 10.098 -4.447 1.00 0.00 C ATOM 746 CZ TYR A 52 2.050 9.249 -5.045 1.00 0.00 C ATOM 747 OH TYR A 52 3.101 9.767 -5.765 1.00 0.00 O ATOM 0 H TYR A 52 -1.121 6.152 -5.185 1.00 0.00 H new ATOM 0 HA TYR A 52 -3.095 6.584 -3.025 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -1.684 8.427 -2.207 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -0.849 6.890 -2.093 1.00 0.00 H new ATOM 0 HD1 TYR A 52 0.742 6.295 -4.111 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -0.619 10.241 -3.257 1.00 0.00 H new ATOM 0 HE1 TYR A 52 2.622 7.219 -5.392 1.00 0.00 H new ATOM 0 HE2 TYR A 52 1.256 11.168 -4.543 1.00 0.00 H new ATOM 0 HH TYR A 52 3.055 10.746 -5.753 1.00 0.00 H new ATOM 757 N THR A 53 -3.952 8.707 -4.109 1.00 0.00 N ATOM 758 CA THR A 53 -4.630 9.730 -4.895 1.00 0.00 C ATOM 759 C THR A 53 -5.336 10.737 -3.995 1.00 0.00 C ATOM 760 O THR A 53 -5.675 10.430 -2.851 1.00 0.00 O ATOM 761 CB THR A 53 -5.659 9.109 -5.858 1.00 0.00 C ATOM 762 OG1 THR A 53 -6.081 10.082 -6.819 1.00 0.00 O ATOM 763 CG2 THR A 53 -6.867 8.585 -5.095 1.00 0.00 C ATOM 0 H THR A 53 -4.334 8.572 -3.173 1.00 0.00 H new ATOM 0 HA THR A 53 -3.863 10.242 -5.476 1.00 0.00 H new ATOM 0 HB THR A 53 -5.184 8.274 -6.373 1.00 0.00 H new ATOM 0 HG1 THR A 53 -6.734 9.678 -7.428 1.00 0.00 H new ATOM 0 HG21 THR A 53 -7.580 8.151 -5.796 1.00 0.00 H new ATOM 0 HG22 THR A 53 -6.546 7.823 -4.385 1.00 0.00 H new ATOM 0 HG23 THR A 53 -7.341 9.406 -4.557 1.00 0.00 H new ATOM 771 N ILE A 54 -5.556 11.938 -4.517 1.00 0.00 N ATOM 772 CA ILE A 54 -6.224 12.989 -3.760 1.00 0.00 C ATOM 773 C ILE A 54 -7.737 12.793 -3.764 1.00 0.00 C ATOM 774 O ILE A 54 -8.359 12.707 -4.823 1.00 0.00 O ATOM 775 CB ILE A 54 -5.897 14.385 -4.325 1.00 0.00 C ATOM 776 CG1 ILE A 54 -4.414 14.703 -4.130 1.00 0.00 C ATOM 777 CG2 ILE A 54 -6.764 15.442 -3.657 1.00 0.00 C ATOM 778 CD1 ILE A 54 -3.851 15.630 -5.184 1.00 0.00 C ATOM 0 H ILE A 54 -5.281 12.208 -5.462 1.00 0.00 H new ATOM 0 HA ILE A 54 -5.854 12.924 -2.737 1.00 0.00 H new ATOM 0 HB ILE A 54 -6.112 14.389 -5.394 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -4.274 15.155 -3.148 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -3.847 13.772 -4.136 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -6.522 16.423 -4.066 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -7.815 15.221 -3.842 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -6.577 15.441 -2.583 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -2.795 15.812 -4.982 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -3.959 15.172 -6.167 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -4.392 16.576 -5.163 1.00 0.00 H new ATOM 790 N PHE A 55 -8.322 12.726 -2.573 1.00 0.00 N ATOM 791 CA PHE A 55 -9.762 12.541 -2.439 1.00 0.00 C ATOM 792 C PHE A 55 -10.445 13.849 -2.049 1.00 0.00 C ATOM 793 O PHE A 55 -10.358 14.291 -0.903 1.00 0.00 O ATOM 794 CB PHE A 55 -10.065 11.464 -1.395 1.00 0.00 C ATOM 795 CG PHE A 55 -11.529 11.166 -1.247 1.00 0.00 C ATOM 796 CD1 PHE A 55 -12.154 10.260 -2.089 1.00 0.00 C ATOM 797 CD2 PHE A 55 -12.282 11.793 -0.267 1.00 0.00 C ATOM 798 CE1 PHE A 55 -13.502 9.983 -1.955 1.00 0.00 C ATOM 799 CE2 PHE A 55 -13.630 11.520 -0.129 1.00 0.00 C ATOM 800 CZ PHE A 55 -14.240 10.615 -0.975 1.00 0.00 C ATOM 0 H PHE A 55 -7.821 12.797 -1.687 1.00 0.00 H new ATOM 0 HA PHE A 55 -10.153 12.221 -3.405 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -9.542 10.548 -1.668 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -9.668 11.782 -0.431 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -11.581 9.764 -2.859 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -11.810 12.503 0.396 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -13.977 9.273 -2.616 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -14.206 12.014 0.640 1.00 0.00 H new ATOM 0 HZ PHE A 55 -15.294 10.402 -0.870 1.00 0.00 H new ATOM 1050 N MET A 72 -1.552 7.450 -8.918 1.00 0.00 N ATOM 1051 CA MET A 72 -0.098 7.344 -8.870 1.00 0.00 C ATOM 1052 C MET A 72 0.330 5.988 -8.316 1.00 0.00 C ATOM 1053 O MET A 72 -0.227 5.507 -7.329 1.00 0.00 O ATOM 1054 CB MET A 72 0.489 8.467 -8.014 1.00 0.00 C ATOM 1055 CG MET A 72 0.828 9.720 -8.804 1.00 0.00 C ATOM 1056 SD MET A 72 -0.550 10.878 -8.895 1.00 0.00 S ATOM 1057 CE MET A 72 -0.937 11.082 -7.158 1.00 0.00 C ATOM 0 HA MET A 72 0.282 7.437 -9.887 1.00 0.00 H new ATOM 0 HB2 MET A 72 -0.222 8.724 -7.229 1.00 0.00 H new ATOM 0 HB3 MET A 72 1.391 8.103 -7.521 1.00 0.00 H new ATOM 0 HG2 MET A 72 1.683 10.215 -8.344 1.00 0.00 H new ATOM 0 HG3 MET A 72 1.128 9.438 -9.813 1.00 0.00 H new ATOM 0 HE1 MET A 72 -1.647 11.900 -7.037 1.00 0.00 H new ATOM 0 HE2 MET A 72 -1.375 10.161 -6.772 1.00 0.00 H new ATOM 0 HE3 MET A 72 -0.025 11.309 -6.606 1.00 0.00 H new ATOM 1067 N ILE A 73 1.321 5.378 -8.957 1.00 0.00 N ATOM 1068 CA ILE A 73 1.823 4.079 -8.527 1.00 0.00 C ATOM 1069 C ILE A 73 3.343 4.090 -8.407 1.00 0.00 C ATOM 1070 O ILE A 73 4.036 4.715 -9.209 1.00 0.00 O ATOM 1071 CB ILE A 73 1.404 2.963 -9.502 1.00 0.00 C ATOM 1072 CG1 ILE A 73 -0.117 2.941 -9.663 1.00 0.00 C ATOM 1073 CG2 ILE A 73 1.910 1.614 -9.011 1.00 0.00 C ATOM 1074 CD1 ILE A 73 -0.620 3.840 -10.771 1.00 0.00 C ATOM 0 H ILE A 73 1.792 5.762 -9.776 1.00 0.00 H new ATOM 0 HA ILE A 73 1.385 3.879 -7.549 1.00 0.00 H new ATOM 0 HB ILE A 73 1.850 3.164 -10.476 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -0.439 1.919 -9.861 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -0.578 3.244 -8.723 1.00 0.00 H new ATOM 0 HG21 ILE A 73 1.606 0.835 -9.710 1.00 0.00 H new ATOM 0 HG22 ILE A 73 2.998 1.636 -8.943 1.00 0.00 H new ATOM 0 HG23 ILE A 73 1.489 1.403 -8.028 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -1.707 3.774 -10.828 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -0.329 4.870 -10.564 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -0.187 3.524 -11.720 1.00 0.00 H new ATOM 1086 N VAL A 74 3.856 3.392 -7.399 1.00 0.00 N ATOM 1087 CA VAL A 74 5.295 3.318 -7.174 1.00 0.00 C ATOM 1088 C VAL A 74 5.745 1.876 -6.965 1.00 0.00 C ATOM 1089 O VAL A 74 5.700 1.340 -5.857 1.00 0.00 O ATOM 1090 CB VAL A 74 5.717 4.158 -5.954 1.00 0.00 C ATOM 1091 CG1 VAL A 74 7.196 3.965 -5.658 1.00 0.00 C ATOM 1092 CG2 VAL A 74 5.398 5.628 -6.185 1.00 0.00 C ATOM 0 H VAL A 74 3.296 2.870 -6.725 1.00 0.00 H new ATOM 0 HA VAL A 74 5.776 3.720 -8.066 1.00 0.00 H new ATOM 0 HB VAL A 74 5.151 3.818 -5.087 1.00 0.00 H new ATOM 0 HG11 VAL A 74 7.475 4.566 -4.793 1.00 0.00 H new ATOM 0 HG12 VAL A 74 7.391 2.913 -5.447 1.00 0.00 H new ATOM 0 HG13 VAL A 74 7.784 4.277 -6.522 1.00 0.00 H new ATOM 0 HG21 VAL A 74 5.702 6.208 -5.314 1.00 0.00 H new ATOM 0 HG22 VAL A 74 5.937 5.983 -7.063 1.00 0.00 H new ATOM 0 HG23 VAL A 74 4.326 5.747 -6.344 1.00 0.00 H new ATOM 1102 N PRO A 75 6.191 1.231 -8.053 1.00 0.00 N ATOM 1103 CA PRO A 75 6.660 -0.157 -8.014 1.00 0.00 C ATOM 1104 C PRO A 75 7.981 -0.302 -7.266 1.00 0.00 C ATOM 1105 O PRO A 75 8.390 0.594 -6.530 1.00 0.00 O ATOM 1106 CB PRO A 75 6.840 -0.512 -9.492 1.00 0.00 C ATOM 1107 CG PRO A 75 7.078 0.793 -10.169 1.00 0.00 C ATOM 1108 CD PRO A 75 6.273 1.808 -9.405 1.00 0.00 C ATOM 0 HA PRO A 75 5.963 -0.808 -7.487 1.00 0.00 H new ATOM 0 HB2 PRO A 75 7.680 -1.192 -9.636 1.00 0.00 H new ATOM 0 HB3 PRO A 75 5.955 -1.009 -9.890 1.00 0.00 H new ATOM 0 HG2 PRO A 75 8.137 1.049 -10.161 1.00 0.00 H new ATOM 0 HG3 PRO A 75 6.767 0.754 -11.213 1.00 0.00 H new ATOM 0 HD2 PRO A 75 6.760 2.783 -9.397 1.00 0.00 H new ATOM 0 HD3 PRO A 75 5.285 1.949 -9.842 1.00 0.00 H new ATOM 1116 N ASN A 76 8.644 -1.437 -7.462 1.00 0.00 N ATOM 1117 CA ASN A 76 9.920 -1.700 -6.805 1.00 0.00 C ATOM 1118 C ASN A 76 9.836 -1.395 -5.312 1.00 0.00 C ATOM 1119 O ASN A 76 10.689 -0.698 -4.762 1.00 0.00 O ATOM 1120 CB ASN A 76 11.029 -0.863 -7.446 1.00 0.00 C ATOM 1121 CG ASN A 76 10.848 0.623 -7.199 1.00 0.00 C ATOM 1122 OD1 ASN A 76 11.280 1.149 -6.174 1.00 0.00 O ATOM 1123 ND2 ASN A 76 10.207 1.305 -8.140 1.00 0.00 N ATOM 0 H ASN A 76 8.319 -2.189 -8.070 1.00 0.00 H new ATOM 0 HA ASN A 76 10.154 -2.757 -6.929 1.00 0.00 H new ATOM 0 HB2 ASN A 76 11.994 -1.179 -7.050 1.00 0.00 H new ATOM 0 HB3 ASN A 76 11.048 -1.051 -8.520 1.00 0.00 H new ATOM 0 HD21 ASN A 76 10.055 2.308 -8.029 1.00 0.00 H new ATOM 0 HD22 ASN A 76 9.866 0.827 -8.974 1.00 0.00 H new ATOM 1130 N ILE A 77 8.803 -1.923 -4.664 1.00 0.00 N ATOM 1131 CA ILE A 77 8.610 -1.709 -3.235 1.00 0.00 C ATOM 1132 C ILE A 77 8.976 -2.956 -2.438 1.00 0.00 C ATOM 1133 O ILE A 77 8.255 -3.953 -2.456 1.00 0.00 O ATOM 1134 CB ILE A 77 7.154 -1.319 -2.916 1.00 0.00 C ATOM 1135 CG1 ILE A 77 6.743 -0.089 -3.728 1.00 0.00 C ATOM 1136 CG2 ILE A 77 6.990 -1.057 -1.427 1.00 0.00 C ATOM 1137 CD1 ILE A 77 5.385 0.459 -3.349 1.00 0.00 C ATOM 0 H ILE A 77 8.088 -2.501 -5.105 1.00 0.00 H new ATOM 0 HA ILE A 77 9.269 -0.890 -2.947 1.00 0.00 H new ATOM 0 HB ILE A 77 6.502 -2.148 -3.193 1.00 0.00 H new ATOM 0 HG12 ILE A 77 7.491 0.692 -3.593 1.00 0.00 H new ATOM 0 HG13 ILE A 77 6.739 -0.347 -4.787 1.00 0.00 H new ATOM 0 HG21 ILE A 77 5.956 -0.783 -1.218 1.00 0.00 H new ATOM 0 HG22 ILE A 77 7.247 -1.957 -0.869 1.00 0.00 H new ATOM 0 HG23 ILE A 77 7.649 -0.243 -1.126 1.00 0.00 H new ATOM 0 HD11 ILE A 77 5.159 1.330 -3.965 1.00 0.00 H new ATOM 0 HD12 ILE A 77 4.626 -0.306 -3.510 1.00 0.00 H new ATOM 0 HD13 ILE A 77 5.390 0.749 -2.298 1.00 0.00 H new ATOM 1149 N LYS A 78 10.103 -2.892 -1.736 1.00 0.00 N ATOM 1150 CA LYS A 78 10.566 -4.014 -0.928 1.00 0.00 C ATOM 1151 C LYS A 78 10.571 -3.653 0.553 1.00 0.00 C ATOM 1152 O LYS A 78 11.506 -3.989 1.280 1.00 0.00 O ATOM 1153 CB LYS A 78 11.970 -4.439 -1.365 1.00 0.00 C ATOM 1154 CG LYS A 78 12.056 -4.840 -2.828 1.00 0.00 C ATOM 1155 CD LYS A 78 11.598 -6.273 -3.041 1.00 0.00 C ATOM 1156 CE LYS A 78 11.714 -6.684 -4.500 1.00 0.00 C ATOM 1157 NZ LYS A 78 13.109 -7.057 -4.863 1.00 0.00 N ATOM 0 H LYS A 78 10.712 -2.075 -1.711 1.00 0.00 H new ATOM 0 HA LYS A 78 9.878 -4.846 -1.079 1.00 0.00 H new ATOM 0 HB2 LYS A 78 12.663 -3.618 -1.181 1.00 0.00 H new ATOM 0 HB3 LYS A 78 12.296 -5.276 -0.748 1.00 0.00 H new ATOM 0 HG2 LYS A 78 11.442 -4.168 -3.427 1.00 0.00 H new ATOM 0 HG3 LYS A 78 13.083 -4.730 -3.177 1.00 0.00 H new ATOM 0 HD2 LYS A 78 12.197 -6.943 -2.424 1.00 0.00 H new ATOM 0 HD3 LYS A 78 10.564 -6.378 -2.713 1.00 0.00 H new ATOM 0 HE2 LYS A 78 11.051 -7.527 -4.693 1.00 0.00 H new ATOM 0 HE3 LYS A 78 11.380 -5.864 -5.136 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 13.145 -7.331 -5.866 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 13.738 -6.245 -4.703 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 13.419 -7.856 -4.274 1.00 0.00 H new ATOM 1171 N GLN A 79 9.521 -2.968 0.994 1.00 0.00 N ATOM 1172 CA GLN A 79 9.406 -2.562 2.390 1.00 0.00 C ATOM 1173 C GLN A 79 7.972 -2.718 2.886 1.00 0.00 C ATOM 1174 O GLN A 79 7.077 -3.079 2.122 1.00 0.00 O ATOM 1175 CB GLN A 79 9.861 -1.112 2.561 1.00 0.00 C ATOM 1176 CG GLN A 79 8.969 -0.106 1.852 1.00 0.00 C ATOM 1177 CD GLN A 79 9.295 0.025 0.377 1.00 0.00 C ATOM 1178 OE1 GLN A 79 10.096 -0.738 -0.164 1.00 0.00 O ATOM 1179 NE2 GLN A 79 8.674 0.995 -0.283 1.00 0.00 N ATOM 0 H GLN A 79 8.738 -2.683 0.406 1.00 0.00 H new ATOM 0 HA GLN A 79 10.050 -3.210 2.984 1.00 0.00 H new ATOM 0 HB2 GLN A 79 9.891 -0.872 3.624 1.00 0.00 H new ATOM 0 HB3 GLN A 79 10.878 -1.012 2.183 1.00 0.00 H new ATOM 0 HG2 GLN A 79 7.927 -0.407 1.965 1.00 0.00 H new ATOM 0 HG3 GLN A 79 9.073 0.867 2.331 1.00 0.00 H new ATOM 0 HE21 GLN A 79 8.018 1.605 0.205 1.00 0.00 H new ATOM 0 HE22 GLN A 79 8.853 1.131 -1.278 1.00 0.00 H new ATOM 1188 N ASN A 80 7.761 -2.445 4.169 1.00 0.00 N ATOM 1189 CA ASN A 80 6.436 -2.556 4.767 1.00 0.00 C ATOM 1190 C ASN A 80 5.822 -1.177 4.990 1.00 0.00 C ATOM 1191 O ASN A 80 4.833 -1.035 5.711 1.00 0.00 O ATOM 1192 CB ASN A 80 6.514 -3.313 6.094 1.00 0.00 C ATOM 1193 CG ASN A 80 6.905 -4.766 5.909 1.00 0.00 C ATOM 1194 OD1 ASN A 80 7.868 -5.077 5.207 1.00 0.00 O ATOM 1195 ND2 ASN A 80 6.158 -5.665 6.540 1.00 0.00 N ATOM 0 H ASN A 80 8.491 -2.145 4.815 1.00 0.00 H new ATOM 0 HA ASN A 80 5.799 -3.110 4.078 1.00 0.00 H new ATOM 0 HB2 ASN A 80 7.239 -2.825 6.745 1.00 0.00 H new ATOM 0 HB3 ASN A 80 5.548 -3.261 6.596 1.00 0.00 H new ATOM 0 HD21 ASN A 80 6.373 -6.658 6.453 1.00 0.00 H new ATOM 0 HD22 ASN A 80 5.369 -5.362 7.111 1.00 0.00 H new ATOM 1202 N HIS A 81 6.414 -0.164 4.367 1.00 0.00 N ATOM 1203 CA HIS A 81 5.926 1.204 4.496 1.00 0.00 C ATOM 1204 C HIS A 81 6.665 2.138 3.542 1.00 0.00 C ATOM 1205 O HIS A 81 7.891 2.243 3.586 1.00 0.00 O ATOM 1206 CB HIS A 81 6.089 1.693 5.936 1.00 0.00 C ATOM 1207 CG HIS A 81 7.342 1.204 6.595 1.00 0.00 C ATOM 1208 ND1 HIS A 81 7.345 0.247 7.588 1.00 0.00 N ATOM 1209 CD2 HIS A 81 8.637 1.544 6.398 1.00 0.00 C ATOM 1210 CE1 HIS A 81 8.588 0.020 7.974 1.00 0.00 C ATOM 1211 NE2 HIS A 81 9.392 0.795 7.267 1.00 0.00 N ATOM 0 H HIS A 81 7.233 -0.265 3.767 1.00 0.00 H new ATOM 0 HA HIS A 81 4.868 1.211 4.235 1.00 0.00 H new ATOM 0 HB2 HIS A 81 6.085 2.783 5.944 1.00 0.00 H new ATOM 0 HB3 HIS A 81 5.229 1.367 6.521 1.00 0.00 H new ATOM 0 HD2 HIS A 81 9.008 2.270 5.689 1.00 0.00 H new ATOM 0 HE1 HIS A 81 8.895 -0.680 8.737 1.00 0.00 H new ATOM 0 HE2 HIS A 81 10.408 0.831 7.353 1.00 0.00 H new ATOM 1220 N TYR A 82 5.912 2.813 2.681 1.00 0.00 N ATOM 1221 CA TYR A 82 6.496 3.735 1.714 1.00 0.00 C ATOM 1222 C TYR A 82 6.103 5.176 2.029 1.00 0.00 C ATOM 1223 O TYR A 82 4.921 5.519 2.051 1.00 0.00 O ATOM 1224 CB TYR A 82 6.050 3.372 0.297 1.00 0.00 C ATOM 1225 CG TYR A 82 6.681 4.231 -0.775 1.00 0.00 C ATOM 1226 CD1 TYR A 82 6.380 5.584 -0.874 1.00 0.00 C ATOM 1227 CD2 TYR A 82 7.576 3.691 -1.690 1.00 0.00 C ATOM 1228 CE1 TYR A 82 6.953 6.374 -1.853 1.00 0.00 C ATOM 1229 CE2 TYR A 82 8.154 4.473 -2.671 1.00 0.00 C ATOM 1230 CZ TYR A 82 7.840 5.813 -2.748 1.00 0.00 C ATOM 1231 OH TYR A 82 8.413 6.595 -3.724 1.00 0.00 O ATOM 0 H TYR A 82 4.896 2.739 2.633 1.00 0.00 H new ATOM 0 HA TYR A 82 7.581 3.650 1.779 1.00 0.00 H new ATOM 0 HB2 TYR A 82 6.295 2.327 0.105 1.00 0.00 H new ATOM 0 HB3 TYR A 82 4.966 3.463 0.232 1.00 0.00 H new ATOM 0 HD1 TYR A 82 5.686 6.026 -0.174 1.00 0.00 H new ATOM 0 HD2 TYR A 82 7.824 2.641 -1.633 1.00 0.00 H new ATOM 0 HE1 TYR A 82 6.708 7.424 -1.917 1.00 0.00 H new ATOM 0 HE2 TYR A 82 8.848 4.037 -3.374 1.00 0.00 H new ATOM 0 HH TYR A 82 9.014 6.047 -4.271 1.00 0.00 H new ATOM 1241 N THR A 83 7.105 6.016 2.273 1.00 0.00 N ATOM 1242 CA THR A 83 6.866 7.419 2.587 1.00 0.00 C ATOM 1243 C THR A 83 6.697 8.245 1.317 1.00 0.00 C ATOM 1244 O THR A 83 7.651 8.448 0.565 1.00 0.00 O ATOM 1245 CB THR A 83 8.017 8.011 3.423 1.00 0.00 C ATOM 1246 OG1 THR A 83 8.377 7.105 4.472 1.00 0.00 O ATOM 1247 CG2 THR A 83 7.618 9.352 4.019 1.00 0.00 C ATOM 0 H THR A 83 8.089 5.749 2.259 1.00 0.00 H new ATOM 0 HA THR A 83 5.945 7.461 3.169 1.00 0.00 H new ATOM 0 HB THR A 83 8.873 8.164 2.766 1.00 0.00 H new ATOM 0 HG1 THR A 83 9.110 7.488 4.998 1.00 0.00 H new ATOM 0 HG21 THR A 83 8.446 9.751 4.605 1.00 0.00 H new ATOM 0 HG22 THR A 83 7.373 10.048 3.217 1.00 0.00 H new ATOM 0 HG23 THR A 83 6.749 9.220 4.663 1.00 0.00 H new ATOM 1255 N VAL A 84 5.478 8.722 1.085 1.00 0.00 N ATOM 1256 CA VAL A 84 5.185 9.529 -0.094 1.00 0.00 C ATOM 1257 C VAL A 84 5.502 10.999 0.154 1.00 0.00 C ATOM 1258 O VAL A 84 4.760 11.697 0.846 1.00 0.00 O ATOM 1259 CB VAL A 84 3.709 9.397 -0.512 1.00 0.00 C ATOM 1260 CG1 VAL A 84 3.444 10.175 -1.791 1.00 0.00 C ATOM 1261 CG2 VAL A 84 3.332 7.933 -0.681 1.00 0.00 C ATOM 0 H VAL A 84 4.678 8.564 1.697 1.00 0.00 H new ATOM 0 HA VAL A 84 5.817 9.155 -0.899 1.00 0.00 H new ATOM 0 HB VAL A 84 3.087 9.820 0.277 1.00 0.00 H new ATOM 0 HG11 VAL A 84 2.396 10.070 -2.070 1.00 0.00 H new ATOM 0 HG12 VAL A 84 3.672 11.229 -1.630 1.00 0.00 H new ATOM 0 HG13 VAL A 84 4.074 9.785 -2.591 1.00 0.00 H new ATOM 0 HG21 VAL A 84 2.285 7.859 -0.977 1.00 0.00 H new ATOM 0 HG22 VAL A 84 3.959 7.482 -1.450 1.00 0.00 H new ATOM 0 HG23 VAL A 84 3.481 7.408 0.262 1.00 0.00 H new ATOM 1271 N HIS A 85 6.610 11.465 -0.415 1.00 0.00 N ATOM 1272 CA HIS A 85 7.025 12.854 -0.257 1.00 0.00 C ATOM 1273 C HIS A 85 6.562 13.698 -1.441 1.00 0.00 C ATOM 1274 O HIS A 85 6.727 13.308 -2.596 1.00 0.00 O ATOM 1275 CB HIS A 85 8.545 12.941 -0.117 1.00 0.00 C ATOM 1276 CG HIS A 85 9.032 12.713 1.280 1.00 0.00 C ATOM 1277 ND1 HIS A 85 9.410 13.737 2.123 1.00 0.00 N ATOM 1278 CD2 HIS A 85 9.201 11.568 1.983 1.00 0.00 C ATOM 1279 CE1 HIS A 85 9.791 13.233 3.282 1.00 0.00 C ATOM 1280 NE2 HIS A 85 9.674 11.919 3.224 1.00 0.00 N ATOM 0 H HIS A 85 7.236 10.901 -0.989 1.00 0.00 H new ATOM 0 HA HIS A 85 6.561 13.245 0.648 1.00 0.00 H new ATOM 0 HB2 HIS A 85 9.005 12.206 -0.778 1.00 0.00 H new ATOM 0 HB3 HIS A 85 8.877 13.923 -0.453 1.00 0.00 H new ATOM 0 HD2 HIS A 85 9.001 10.566 1.633 1.00 0.00 H new ATOM 0 HE1 HIS A 85 10.139 13.799 4.133 1.00 0.00 H new ATOM 0 HE2 HIS A 85 9.898 11.270 3.978 1.00 0.00 H new ATOM 1289 N GLY A 86 5.980 14.856 -1.144 1.00 0.00 N ATOM 1290 CA GLY A 86 5.501 15.736 -2.194 1.00 0.00 C ATOM 1291 C GLY A 86 3.991 15.858 -2.204 1.00 0.00 C ATOM 1292 O GLY A 86 3.378 15.987 -3.265 1.00 0.00 O ATOM 0 H GLY A 86 5.832 15.200 -0.195 1.00 0.00 H new ATOM 0 HA2 GLY A 86 5.941 16.725 -2.064 1.00 0.00 H new ATOM 0 HA3 GLY A 86 5.839 15.361 -3.160 1.00 0.00 H new ATOM 1296 N LEU A 87 3.387 15.816 -1.022 1.00 0.00 N ATOM 1297 CA LEU A 87 1.937 15.921 -0.898 1.00 0.00 C ATOM 1298 C LEU A 87 1.517 17.362 -0.630 1.00 0.00 C ATOM 1299 O LEU A 87 2.347 18.270 -0.628 1.00 0.00 O ATOM 1300 CB LEU A 87 1.435 15.014 0.226 1.00 0.00 C ATOM 1301 CG LEU A 87 1.681 13.516 0.041 1.00 0.00 C ATOM 1302 CD1 LEU A 87 1.523 12.782 1.364 1.00 0.00 C ATOM 1303 CD2 LEU A 87 0.735 12.945 -1.005 1.00 0.00 C ATOM 0 H LEU A 87 3.879 15.710 -0.135 1.00 0.00 H new ATOM 0 HA LEU A 87 1.492 15.602 -1.840 1.00 0.00 H new ATOM 0 HB2 LEU A 87 1.908 15.327 1.157 1.00 0.00 H new ATOM 0 HB3 LEU A 87 0.363 15.174 0.343 1.00 0.00 H new ATOM 0 HG LEU A 87 2.704 13.376 -0.309 1.00 0.00 H new ATOM 0 HD11 LEU A 87 1.702 11.717 1.213 1.00 0.00 H new ATOM 0 HD12 LEU A 87 2.242 13.172 2.085 1.00 0.00 H new ATOM 0 HD13 LEU A 87 0.512 12.930 1.744 1.00 0.00 H new ATOM 0 HD21 LEU A 87 0.925 11.878 -1.123 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -0.296 13.097 -0.685 1.00 0.00 H new ATOM 0 HD23 LEU A 87 0.898 13.450 -1.957 1.00 0.00 H new ATOM 1315 N GLN A 88 0.223 17.563 -0.403 1.00 0.00 N ATOM 1316 CA GLN A 88 -0.307 18.894 -0.133 1.00 0.00 C ATOM 1317 C GLN A 88 -0.809 18.999 1.304 1.00 0.00 C ATOM 1318 O GLN A 88 -1.420 18.068 1.828 1.00 0.00 O ATOM 1319 CB GLN A 88 -1.441 19.223 -1.106 1.00 0.00 C ATOM 1320 CG GLN A 88 -0.988 19.324 -2.554 1.00 0.00 C ATOM 1321 CD GLN A 88 -2.148 19.306 -3.531 1.00 0.00 C ATOM 1322 OE1 GLN A 88 -3.045 20.147 -3.463 1.00 0.00 O ATOM 1323 NE2 GLN A 88 -2.136 18.344 -4.446 1.00 0.00 N ATOM 0 H GLN A 88 -0.477 16.821 -0.401 1.00 0.00 H new ATOM 0 HA GLN A 88 0.501 19.613 -0.271 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -2.211 18.455 -1.027 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -1.900 20.166 -0.811 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -0.418 20.243 -2.689 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -0.316 18.496 -2.779 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -1.372 17.668 -4.465 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -2.890 18.281 -5.130 1.00 0.00 H new ATOM 1332 N SER A 89 -0.547 20.139 1.935 1.00 0.00 N ATOM 1333 CA SER A 89 -0.968 20.363 3.313 1.00 0.00 C ATOM 1334 C SER A 89 -2.489 20.350 3.425 1.00 0.00 C ATOM 1335 O SER A 89 -3.195 20.734 2.494 1.00 0.00 O ATOM 1336 CB SER A 89 -0.420 21.697 3.825 1.00 0.00 C ATOM 1337 OG SER A 89 -0.746 22.756 2.942 1.00 0.00 O ATOM 0 H SER A 89 -0.046 20.921 1.514 1.00 0.00 H new ATOM 0 HA SER A 89 -0.569 19.554 3.925 1.00 0.00 H new ATOM 0 HB2 SER A 89 -0.828 21.906 4.814 1.00 0.00 H new ATOM 0 HB3 SER A 89 0.662 21.631 3.934 1.00 0.00 H new ATOM 0 HG SER A 89 -0.386 23.597 3.293 1.00 0.00 H new ATOM 1343 N GLY A 90 -2.988 19.903 4.574 1.00 0.00 N ATOM 1344 CA GLY A 90 -4.422 19.847 4.788 1.00 0.00 C ATOM 1345 C GLY A 90 -5.171 19.344 3.570 1.00 0.00 C ATOM 1346 O GLY A 90 -6.017 20.048 3.017 1.00 0.00 O ATOM 0 H GLY A 90 -2.424 19.579 5.360 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -4.634 19.196 5.636 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -4.786 20.840 5.050 1.00 0.00 H new ATOM 1350 N THR A 91 -4.859 18.123 3.148 1.00 0.00 N ATOM 1351 CA THR A 91 -5.506 17.527 1.985 1.00 0.00 C ATOM 1352 C THR A 91 -5.700 16.027 2.173 1.00 0.00 C ATOM 1353 O THR A 91 -4.805 15.331 2.651 1.00 0.00 O ATOM 1354 CB THR A 91 -4.690 17.772 0.702 1.00 0.00 C ATOM 1355 OG1 THR A 91 -4.682 19.168 0.385 1.00 0.00 O ATOM 1356 CG2 THR A 91 -5.269 16.985 -0.465 1.00 0.00 C ATOM 0 H THR A 91 -4.162 17.527 3.594 1.00 0.00 H new ATOM 0 HA THR A 91 -6.480 18.006 1.884 1.00 0.00 H new ATOM 0 HB THR A 91 -3.669 17.434 0.877 1.00 0.00 H new ATOM 0 HG1 THR A 91 -4.197 19.659 1.081 1.00 0.00 H new ATOM 0 HG21 THR A 91 -4.677 17.173 -1.360 1.00 0.00 H new ATOM 0 HG22 THR A 91 -5.247 15.920 -0.233 1.00 0.00 H new ATOM 0 HG23 THR A 91 -6.299 17.297 -0.639 1.00 0.00 H new ATOM 1364 N ARG A 92 -6.875 15.535 1.792 1.00 0.00 N ATOM 1365 CA ARG A 92 -7.186 14.117 1.919 1.00 0.00 C ATOM 1366 C ARG A 92 -6.406 13.295 0.896 1.00 0.00 C ATOM 1367 O ARG A 92 -6.195 13.732 -0.235 1.00 0.00 O ATOM 1368 CB ARG A 92 -8.687 13.884 1.738 1.00 0.00 C ATOM 1369 CG ARG A 92 -9.524 14.356 2.916 1.00 0.00 C ATOM 1370 CD ARG A 92 -10.757 13.488 3.107 1.00 0.00 C ATOM 1371 NE ARG A 92 -11.794 14.171 3.875 1.00 0.00 N ATOM 1372 CZ ARG A 92 -12.745 13.538 4.552 1.00 0.00 C ATOM 1373 NH1 ARG A 92 -12.790 12.213 4.557 1.00 0.00 N ATOM 1374 NH2 ARG A 92 -13.654 14.230 5.227 1.00 0.00 N ATOM 0 H ARG A 92 -7.626 16.098 1.393 1.00 0.00 H new ATOM 0 HA ARG A 92 -6.893 13.795 2.918 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -9.020 14.400 0.837 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -8.864 12.820 1.580 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -8.920 14.337 3.823 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -9.827 15.391 2.757 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -11.155 13.205 2.133 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -10.476 12.567 3.617 1.00 0.00 H new ATOM 0 HE ARG A 92 -11.788 15.191 3.892 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -12.093 11.677 4.040 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -13.522 11.730 5.078 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -13.623 15.250 5.226 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -14.384 13.742 5.747 1.00 0.00 H new ATOM 1388 N TYR A 93 -5.981 12.104 1.303 1.00 0.00 N ATOM 1389 CA TYR A 93 -5.222 11.223 0.424 1.00 0.00 C ATOM 1390 C TYR A 93 -5.576 9.761 0.679 1.00 0.00 C ATOM 1391 O TYR A 93 -5.369 9.244 1.778 1.00 0.00 O ATOM 1392 CB TYR A 93 -3.721 11.438 0.624 1.00 0.00 C ATOM 1393 CG TYR A 93 -3.155 12.566 -0.209 1.00 0.00 C ATOM 1394 CD1 TYR A 93 -2.723 12.346 -1.511 1.00 0.00 C ATOM 1395 CD2 TYR A 93 -3.052 13.852 0.307 1.00 0.00 C ATOM 1396 CE1 TYR A 93 -2.204 13.373 -2.275 1.00 0.00 C ATOM 1397 CE2 TYR A 93 -2.536 14.886 -0.450 1.00 0.00 C ATOM 1398 CZ TYR A 93 -2.113 14.642 -1.740 1.00 0.00 C ATOM 1399 OH TYR A 93 -1.598 15.668 -2.498 1.00 0.00 O ATOM 0 H TYR A 93 -6.149 11.727 2.236 1.00 0.00 H new ATOM 0 HA TYR A 93 -5.483 11.467 -0.606 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -3.529 11.643 1.677 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -3.194 10.516 0.378 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -2.794 11.354 -1.933 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -3.381 14.047 1.317 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -1.871 13.184 -3.285 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -2.464 15.880 -0.034 1.00 0.00 H new ATOM 0 HH TYR A 93 -1.819 16.526 -2.080 1.00 0.00 H new ATOM 1409 N ILE A 94 -6.111 9.101 -0.342 1.00 0.00 N ATOM 1410 CA ILE A 94 -6.493 7.699 -0.230 1.00 0.00 C ATOM 1411 C ILE A 94 -5.376 6.784 -0.721 1.00 0.00 C ATOM 1412 O ILE A 94 -4.874 6.942 -1.835 1.00 0.00 O ATOM 1413 CB ILE A 94 -7.775 7.399 -1.028 1.00 0.00 C ATOM 1414 CG1 ILE A 94 -8.941 8.236 -0.496 1.00 0.00 C ATOM 1415 CG2 ILE A 94 -8.107 5.916 -0.959 1.00 0.00 C ATOM 1416 CD1 ILE A 94 -10.188 8.145 -1.347 1.00 0.00 C ATOM 0 H ILE A 94 -6.290 9.515 -1.257 1.00 0.00 H new ATOM 0 HA ILE A 94 -6.679 7.506 0.827 1.00 0.00 H new ATOM 0 HB ILE A 94 -7.606 7.666 -2.071 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -9.178 7.911 0.517 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -8.630 9.279 -0.432 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -9.016 5.720 -1.528 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -7.284 5.339 -1.380 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -8.260 5.625 0.080 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -10.973 8.763 -0.910 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -9.967 8.497 -2.355 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -10.524 7.109 -1.390 1.00 0.00 H new ATOM 1428 N PHE A 95 -4.992 5.826 0.116 1.00 0.00 N ATOM 1429 CA PHE A 95 -3.935 4.884 -0.233 1.00 0.00 C ATOM 1430 C PHE A 95 -4.499 3.479 -0.423 1.00 0.00 C ATOM 1431 O PHE A 95 -5.452 3.086 0.250 1.00 0.00 O ATOM 1432 CB PHE A 95 -2.856 4.870 0.852 1.00 0.00 C ATOM 1433 CG PHE A 95 -2.088 6.157 0.950 1.00 0.00 C ATOM 1434 CD1 PHE A 95 -2.560 7.205 1.724 1.00 0.00 C ATOM 1435 CD2 PHE A 95 -0.894 6.320 0.266 1.00 0.00 C ATOM 1436 CE1 PHE A 95 -1.855 8.390 1.817 1.00 0.00 C ATOM 1437 CE2 PHE A 95 -0.184 7.503 0.355 1.00 0.00 C ATOM 1438 CZ PHE A 95 -0.666 8.539 1.130 1.00 0.00 C ATOM 0 H PHE A 95 -5.397 5.681 1.041 1.00 0.00 H new ATOM 0 HA PHE A 95 -3.490 5.208 -1.174 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -3.323 4.660 1.815 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -2.160 4.055 0.651 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -3.490 7.094 2.261 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -0.514 5.514 -0.344 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -2.233 9.198 2.426 1.00 0.00 H new ATOM 0 HE2 PHE A 95 0.747 7.617 -0.181 1.00 0.00 H new ATOM 0 HZ PHE A 95 -0.114 9.465 1.199 1.00 0.00 H new ATOM 1448 N ILE A 96 -3.904 2.729 -1.344 1.00 0.00 N ATOM 1449 CA ILE A 96 -4.346 1.368 -1.623 1.00 0.00 C ATOM 1450 C ILE A 96 -3.173 0.481 -2.025 1.00 0.00 C ATOM 1451 O ILE A 96 -2.631 0.609 -3.123 1.00 0.00 O ATOM 1452 CB ILE A 96 -5.405 1.338 -2.741 1.00 0.00 C ATOM 1453 CG1 ILE A 96 -6.740 1.879 -2.224 1.00 0.00 C ATOM 1454 CG2 ILE A 96 -5.572 -0.077 -3.274 1.00 0.00 C ATOM 1455 CD1 ILE A 96 -7.734 2.184 -3.322 1.00 0.00 C ATOM 0 H ILE A 96 -3.115 3.041 -1.910 1.00 0.00 H new ATOM 0 HA ILE A 96 -4.789 0.985 -0.704 1.00 0.00 H new ATOM 0 HB ILE A 96 -5.068 1.976 -3.558 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -7.178 1.151 -1.541 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -6.557 2.786 -1.649 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -6.324 -0.082 -4.063 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -4.622 -0.429 -3.675 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -5.890 -0.735 -2.466 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -8.657 2.563 -2.883 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -7.316 2.935 -3.993 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -7.947 1.274 -3.883 1.00 0.00 H new ATOM 1467 N VAL A 97 -2.787 -0.422 -1.129 1.00 0.00 N ATOM 1468 CA VAL A 97 -1.680 -1.334 -1.391 1.00 0.00 C ATOM 1469 C VAL A 97 -2.169 -2.614 -2.061 1.00 0.00 C ATOM 1470 O VAL A 97 -3.150 -3.219 -1.627 1.00 0.00 O ATOM 1471 CB VAL A 97 -0.935 -1.699 -0.094 1.00 0.00 C ATOM 1472 CG1 VAL A 97 0.076 -2.806 -0.352 1.00 0.00 C ATOM 1473 CG2 VAL A 97 -0.255 -0.471 0.492 1.00 0.00 C ATOM 0 H VAL A 97 -3.225 -0.541 -0.215 1.00 0.00 H new ATOM 0 HA VAL A 97 -0.995 -0.816 -2.061 1.00 0.00 H new ATOM 0 HB VAL A 97 -1.661 -2.065 0.631 1.00 0.00 H new ATOM 0 HG11 VAL A 97 0.593 -3.050 0.576 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -0.440 -3.691 -0.724 1.00 0.00 H new ATOM 0 HG13 VAL A 97 0.801 -2.471 -1.094 1.00 0.00 H new ATOM 0 HG21 VAL A 97 0.267 -0.747 1.408 1.00 0.00 H new ATOM 0 HG22 VAL A 97 0.461 -0.073 -0.228 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -1.005 0.288 0.716 1.00 0.00 H new ATOM 1483 N LYS A 98 -1.480 -3.022 -3.120 1.00 0.00 N ATOM 1484 CA LYS A 98 -1.841 -4.231 -3.850 1.00 0.00 C ATOM 1485 C LYS A 98 -0.632 -5.145 -4.022 1.00 0.00 C ATOM 1486 O LYS A 98 0.306 -4.819 -4.749 1.00 0.00 O ATOM 1487 CB LYS A 98 -2.420 -3.871 -5.220 1.00 0.00 C ATOM 1488 CG LYS A 98 -2.665 -5.075 -6.113 1.00 0.00 C ATOM 1489 CD LYS A 98 -3.262 -4.666 -7.449 1.00 0.00 C ATOM 1490 CE LYS A 98 -2.213 -4.054 -8.364 1.00 0.00 C ATOM 1491 NZ LYS A 98 -1.504 -5.089 -9.167 1.00 0.00 N ATOM 0 H LYS A 98 -0.667 -2.532 -3.493 1.00 0.00 H new ATOM 0 HA LYS A 98 -2.596 -4.762 -3.271 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -3.360 -3.337 -5.079 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -1.738 -3.188 -5.725 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -1.726 -5.603 -6.279 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -3.337 -5.771 -5.611 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -3.705 -5.537 -7.933 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -4.066 -3.949 -7.285 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -2.689 -3.338 -9.034 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -1.489 -3.499 -7.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -0.763 -4.637 -9.740 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -1.071 -5.787 -8.529 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -2.182 -5.567 -9.794 1.00 0.00 H new ATOM 1505 N ALA A 99 -0.662 -6.291 -3.349 1.00 0.00 N ATOM 1506 CA ALA A 99 0.430 -7.253 -3.431 1.00 0.00 C ATOM 1507 C ALA A 99 0.435 -7.965 -4.779 1.00 0.00 C ATOM 1508 O ALA A 99 -0.620 -8.213 -5.364 1.00 0.00 O ATOM 1509 CB ALA A 99 0.328 -8.264 -2.298 1.00 0.00 C ATOM 0 H ALA A 99 -1.430 -6.575 -2.741 1.00 0.00 H new ATOM 0 HA ALA A 99 1.369 -6.708 -3.335 1.00 0.00 H new ATOM 0 HB1 ALA A 99 1.150 -8.977 -2.371 1.00 0.00 H new ATOM 0 HB2 ALA A 99 0.382 -7.745 -1.341 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -0.621 -8.796 -2.369 1.00 0.00 H new ATOM 1515 N ILE A 100 1.627 -8.291 -5.267 1.00 0.00 N ATOM 1516 CA ILE A 100 1.768 -8.975 -6.546 1.00 0.00 C ATOM 1517 C ILE A 100 2.731 -10.153 -6.437 1.00 0.00 C ATOM 1518 O ILE A 100 3.727 -10.088 -5.718 1.00 0.00 O ATOM 1519 CB ILE A 100 2.268 -8.018 -7.644 1.00 0.00 C ATOM 1520 CG1 ILE A 100 1.337 -6.808 -7.759 1.00 0.00 C ATOM 1521 CG2 ILE A 100 2.366 -8.746 -8.977 1.00 0.00 C ATOM 1522 CD1 ILE A 100 2.032 -5.556 -8.245 1.00 0.00 C ATOM 0 H ILE A 100 2.509 -8.092 -4.796 1.00 0.00 H new ATOM 0 HA ILE A 100 0.778 -9.342 -6.818 1.00 0.00 H new ATOM 0 HB ILE A 100 3.262 -7.664 -7.372 1.00 0.00 H new ATOM 0 HG12 ILE A 100 0.522 -7.050 -8.442 1.00 0.00 H new ATOM 0 HG13 ILE A 100 0.889 -6.611 -6.785 1.00 0.00 H new ATOM 0 HG21 ILE A 100 2.721 -8.056 -9.743 1.00 0.00 H new ATOM 0 HG22 ILE A 100 3.064 -9.578 -8.887 1.00 0.00 H new ATOM 0 HG23 ILE A 100 1.383 -9.126 -9.257 1.00 0.00 H new ATOM 0 HD11 ILE A 100 1.312 -4.739 -8.302 1.00 0.00 H new ATOM 0 HD12 ILE A 100 2.829 -5.289 -7.551 1.00 0.00 H new ATOM 0 HD13 ILE A 100 2.457 -5.736 -9.233 1.00 0.00 H new ATOM 1534 N ASN A 101 2.426 -11.228 -7.157 1.00 0.00 N ATOM 1535 CA ASN A 101 3.265 -12.420 -7.142 1.00 0.00 C ATOM 1536 C ASN A 101 3.178 -13.163 -8.472 1.00 0.00 C ATOM 1537 O ASN A 101 2.491 -12.725 -9.394 1.00 0.00 O ATOM 1538 CB ASN A 101 2.849 -13.348 -5.999 1.00 0.00 C ATOM 1539 CG ASN A 101 1.465 -13.934 -6.204 1.00 0.00 C ATOM 1540 OD1 ASN A 101 0.629 -13.352 -6.896 1.00 0.00 O ATOM 1541 ND2 ASN A 101 1.218 -15.091 -5.602 1.00 0.00 N ATOM 0 H ASN A 101 1.605 -11.298 -7.758 1.00 0.00 H new ATOM 0 HA ASN A 101 4.297 -12.105 -6.988 1.00 0.00 H new ATOM 0 HB2 ASN A 101 3.574 -14.157 -5.910 1.00 0.00 H new ATOM 0 HB3 ASN A 101 2.871 -12.795 -5.060 1.00 0.00 H new ATOM 0 HD21 ASN A 101 0.305 -15.534 -5.703 1.00 0.00 H new ATOM 0 HD22 ASN A 101 1.941 -15.537 -5.038 1.00 0.00 H new ATOM 1548 N GLN A 102 3.880 -14.288 -8.561 1.00 0.00 N ATOM 1549 CA GLN A 102 3.881 -15.092 -9.778 1.00 0.00 C ATOM 1550 C GLN A 102 2.462 -15.489 -10.171 1.00 0.00 C ATOM 1551 O GLN A 102 2.172 -15.713 -11.345 1.00 0.00 O ATOM 1552 CB GLN A 102 4.739 -16.343 -9.587 1.00 0.00 C ATOM 1553 CG GLN A 102 4.622 -17.342 -10.727 1.00 0.00 C ATOM 1554 CD GLN A 102 5.467 -16.961 -11.926 1.00 0.00 C ATOM 1555 OE1 GLN A 102 5.236 -15.931 -12.561 1.00 0.00 O ATOM 1556 NE2 GLN A 102 6.454 -17.791 -12.243 1.00 0.00 N ATOM 0 H GLN A 102 4.455 -14.663 -7.806 1.00 0.00 H new ATOM 0 HA GLN A 102 4.304 -14.489 -10.581 1.00 0.00 H new ATOM 0 HB2 GLN A 102 5.782 -16.045 -9.482 1.00 0.00 H new ATOM 0 HB3 GLN A 102 4.452 -16.832 -8.656 1.00 0.00 H new ATOM 0 HG2 GLN A 102 4.924 -18.328 -10.373 1.00 0.00 H new ATOM 0 HG3 GLN A 102 3.578 -17.418 -11.032 1.00 0.00 H new ATOM 0 HE21 GLN A 102 6.610 -18.633 -11.689 1.00 0.00 H new ATOM 0 HE22 GLN A 102 7.056 -17.586 -13.040 1.00 0.00 H new ATOM 1565 N ALA A 103 1.581 -15.574 -9.179 1.00 0.00 N ATOM 1566 CA ALA A 103 0.192 -15.942 -9.421 1.00 0.00 C ATOM 1567 C ALA A 103 -0.604 -14.758 -9.958 1.00 0.00 C ATOM 1568 O ALA A 103 -0.982 -14.731 -11.129 1.00 0.00 O ATOM 1569 CB ALA A 103 -0.444 -16.473 -8.145 1.00 0.00 C ATOM 0 H ALA A 103 1.805 -15.393 -8.201 1.00 0.00 H new ATOM 0 HA ALA A 103 0.177 -16.729 -10.175 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -1.481 -16.744 -8.341 1.00 0.00 H new ATOM 0 HB2 ALA A 103 0.103 -17.353 -7.805 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -0.409 -15.704 -7.374 1.00 0.00 H new ATOM 1575 N GLY A 104 -0.857 -13.779 -9.094 1.00 0.00 N ATOM 1576 CA GLY A 104 -1.608 -12.606 -9.501 1.00 0.00 C ATOM 1577 C GLY A 104 -1.390 -11.428 -8.573 1.00 0.00 C ATOM 1578 O GLY A 104 -0.270 -11.182 -8.123 1.00 0.00 O ATOM 0 H GLY A 104 -0.555 -13.778 -8.120 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -1.318 -12.326 -10.514 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -2.670 -12.850 -9.530 1.00 0.00 H new ATOM 1582 N SER A 105 -2.461 -10.695 -8.286 1.00 0.00 N ATOM 1583 CA SER A 105 -2.381 -9.532 -7.410 1.00 0.00 C ATOM 1584 C SER A 105 -3.702 -9.309 -6.681 1.00 0.00 C ATOM 1585 O SER A 105 -4.771 -9.633 -7.198 1.00 0.00 O ATOM 1586 CB SER A 105 -2.012 -8.285 -8.215 1.00 0.00 C ATOM 1587 OG SER A 105 -2.956 -8.046 -9.245 1.00 0.00 O ATOM 0 H SER A 105 -3.395 -10.886 -8.648 1.00 0.00 H new ATOM 0 HA SER A 105 -1.604 -9.719 -6.668 1.00 0.00 H new ATOM 0 HB2 SER A 105 -1.965 -7.421 -7.552 1.00 0.00 H new ATOM 0 HB3 SER A 105 -1.019 -8.408 -8.648 1.00 0.00 H new ATOM 0 HG SER A 105 -2.513 -7.603 -9.998 1.00 0.00 H new ATOM 1593 N ARG A 106 -3.619 -8.753 -5.476 1.00 0.00 N ATOM 1594 CA ARG A 106 -4.807 -8.487 -4.675 1.00 0.00 C ATOM 1595 C ARG A 106 -4.795 -7.057 -4.143 1.00 0.00 C ATOM 1596 O ARG A 106 -3.928 -6.685 -3.353 1.00 0.00 O ATOM 1597 CB ARG A 106 -4.895 -9.475 -3.510 1.00 0.00 C ATOM 1598 CG ARG A 106 -6.241 -9.466 -2.804 1.00 0.00 C ATOM 1599 CD ARG A 106 -7.364 -9.880 -3.741 1.00 0.00 C ATOM 1600 NE ARG A 106 -7.941 -8.736 -4.442 1.00 0.00 N ATOM 1601 CZ ARG A 106 -9.116 -8.769 -5.061 1.00 0.00 C ATOM 1602 NH1 ARG A 106 -9.836 -9.883 -5.065 1.00 0.00 N ATOM 1603 NH2 ARG A 106 -9.574 -7.686 -5.677 1.00 0.00 N ATOM 0 H ARG A 106 -2.742 -8.478 -5.034 1.00 0.00 H new ATOM 0 HA ARG A 106 -5.681 -8.611 -5.315 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -4.696 -10.480 -3.881 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -4.113 -9.242 -2.787 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -6.210 -10.143 -1.950 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -6.441 -8.469 -2.413 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -6.983 -10.597 -4.469 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -8.143 -10.387 -3.172 1.00 0.00 H new ATOM 0 HE ARG A 106 -7.413 -7.864 -4.457 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -9.488 -10.717 -4.592 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -10.738 -9.906 -5.541 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -9.024 -6.827 -5.675 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -10.476 -7.713 -6.152 1.00 0.00 H new ATOM 1617 N ASN A 107 -5.763 -6.259 -4.583 1.00 0.00 N ATOM 1618 CA ASN A 107 -5.863 -4.869 -4.152 1.00 0.00 C ATOM 1619 C ASN A 107 -6.600 -4.764 -2.820 1.00 0.00 C ATOM 1620 O ASN A 107 -7.667 -5.351 -2.641 1.00 0.00 O ATOM 1621 CB ASN A 107 -6.583 -4.035 -5.213 1.00 0.00 C ATOM 1622 CG ASN A 107 -8.087 -4.223 -5.175 1.00 0.00 C ATOM 1623 OD1 ASN A 107 -8.641 -5.038 -5.913 1.00 0.00 O ATOM 1624 ND2 ASN A 107 -8.756 -3.469 -4.311 1.00 0.00 N ATOM 0 H ASN A 107 -6.489 -6.551 -5.237 1.00 0.00 H new ATOM 0 HA ASN A 107 -4.853 -4.482 -4.019 1.00 0.00 H new ATOM 0 HB2 ASN A 107 -6.348 -2.981 -5.064 1.00 0.00 H new ATOM 0 HB3 ASN A 107 -6.210 -4.308 -6.200 1.00 0.00 H new ATOM 0 HD21 ASN A 107 -9.770 -3.552 -4.240 1.00 0.00 H new ATOM 0 HD22 ASN A 107 -8.256 -2.806 -3.718 1.00 0.00 H new ATOM 1631 N SER A 108 -6.023 -4.012 -1.888 1.00 0.00 N ATOM 1632 CA SER A 108 -6.623 -3.832 -0.572 1.00 0.00 C ATOM 1633 C SER A 108 -7.659 -2.711 -0.595 1.00 0.00 C ATOM 1634 O SER A 108 -7.848 -2.048 -1.614 1.00 0.00 O ATOM 1635 CB SER A 108 -5.543 -3.521 0.466 1.00 0.00 C ATOM 1636 OG SER A 108 -4.927 -2.272 0.204 1.00 0.00 O ATOM 0 H SER A 108 -5.141 -3.518 -2.020 1.00 0.00 H new ATOM 0 HA SER A 108 -7.124 -4.761 -0.299 1.00 0.00 H new ATOM 0 HB2 SER A 108 -5.985 -3.510 1.462 1.00 0.00 H new ATOM 0 HB3 SER A 108 -4.790 -4.309 0.460 1.00 0.00 H new ATOM 0 HG SER A 108 -4.229 -2.387 -0.474 1.00 0.00 H new ATOM 1642 N GLU A 109 -8.327 -2.508 0.536 1.00 0.00 N ATOM 1643 CA GLU A 109 -9.344 -1.468 0.646 1.00 0.00 C ATOM 1644 C GLU A 109 -8.703 -0.086 0.730 1.00 0.00 C ATOM 1645 O GLU A 109 -7.584 0.078 1.216 1.00 0.00 O ATOM 1646 CB GLU A 109 -10.223 -1.711 1.874 1.00 0.00 C ATOM 1647 CG GLU A 109 -11.207 -2.855 1.702 1.00 0.00 C ATOM 1648 CD GLU A 109 -12.040 -3.101 2.945 1.00 0.00 C ATOM 1649 OE1 GLU A 109 -12.440 -2.113 3.597 1.00 0.00 O ATOM 1650 OE2 GLU A 109 -12.292 -4.281 3.266 1.00 0.00 O ATOM 0 H GLU A 109 -8.183 -3.049 1.388 1.00 0.00 H new ATOM 0 HA GLU A 109 -9.965 -1.507 -0.249 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -9.584 -1.919 2.732 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -10.775 -0.799 2.101 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -11.868 -2.637 0.863 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -10.661 -3.764 1.450 1.00 0.00 H new ATOM 1657 N PRO A 110 -9.428 0.932 0.245 1.00 0.00 N ATOM 1658 CA PRO A 110 -8.951 2.319 0.254 1.00 0.00 C ATOM 1659 C PRO A 110 -8.892 2.902 1.661 1.00 0.00 C ATOM 1660 O PRO A 110 -9.862 2.830 2.416 1.00 0.00 O ATOM 1661 CB PRO A 110 -9.993 3.058 -0.589 1.00 0.00 C ATOM 1662 CG PRO A 110 -11.230 2.236 -0.467 1.00 0.00 C ATOM 1663 CD PRO A 110 -10.770 0.810 -0.349 1.00 0.00 C ATOM 0 HA PRO A 110 -7.935 2.403 -0.131 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -10.153 4.072 -0.221 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -9.674 3.142 -1.628 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -11.811 2.532 0.407 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -11.873 2.368 -1.337 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -11.437 0.224 0.283 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -10.736 0.317 -1.321 1.00 0.00 H new ATOM 1671 N THR A 111 -7.747 3.482 2.009 1.00 0.00 N ATOM 1672 CA THR A 111 -7.562 4.078 3.326 1.00 0.00 C ATOM 1673 C THR A 111 -7.398 5.590 3.228 1.00 0.00 C ATOM 1674 O THR A 111 -6.354 6.084 2.803 1.00 0.00 O ATOM 1675 CB THR A 111 -6.334 3.485 4.043 1.00 0.00 C ATOM 1676 OG1 THR A 111 -6.490 2.070 4.194 1.00 0.00 O ATOM 1677 CG2 THR A 111 -6.141 4.128 5.408 1.00 0.00 C ATOM 0 H THR A 111 -6.934 3.551 1.397 1.00 0.00 H new ATOM 0 HA THR A 111 -8.457 3.850 3.905 1.00 0.00 H new ATOM 0 HB THR A 111 -5.453 3.690 3.435 1.00 0.00 H new ATOM 0 HG1 THR A 111 -6.373 1.827 5.136 1.00 0.00 H new ATOM 0 HG21 THR A 111 -5.268 3.693 5.895 1.00 0.00 H new ATOM 0 HG22 THR A 111 -5.992 5.201 5.287 1.00 0.00 H new ATOM 0 HG23 THR A 111 -7.024 3.951 6.022 1.00 0.00 H new ATOM 1685 N ARG A 112 -8.436 6.320 3.624 1.00 0.00 N ATOM 1686 CA ARG A 112 -8.406 7.777 3.579 1.00 0.00 C ATOM 1687 C ARG A 112 -7.521 8.337 4.688 1.00 0.00 C ATOM 1688 O ARG A 112 -7.739 8.063 5.869 1.00 0.00 O ATOM 1689 CB ARG A 112 -9.822 8.341 3.708 1.00 0.00 C ATOM 1690 CG ARG A 112 -10.527 8.528 2.374 1.00 0.00 C ATOM 1691 CD ARG A 112 -11.930 9.087 2.559 1.00 0.00 C ATOM 1692 NE ARG A 112 -12.840 8.639 1.509 1.00 0.00 N ATOM 1693 CZ ARG A 112 -13.497 7.485 1.548 1.00 0.00 C ATOM 1694 NH1 ARG A 112 -13.345 6.667 2.580 1.00 0.00 N ATOM 1695 NH2 ARG A 112 -14.308 7.148 0.553 1.00 0.00 N ATOM 0 H ARG A 112 -9.307 5.927 3.979 1.00 0.00 H new ATOM 0 HA ARG A 112 -7.988 8.078 2.618 1.00 0.00 H new ATOM 0 HB2 ARG A 112 -10.415 7.672 4.332 1.00 0.00 H new ATOM 0 HB3 ARG A 112 -9.776 9.301 4.223 1.00 0.00 H new ATOM 0 HG2 ARG A 112 -9.945 9.202 1.745 1.00 0.00 H new ATOM 0 HG3 ARG A 112 -10.581 7.572 1.852 1.00 0.00 H new ATOM 0 HD2 ARG A 112 -12.318 8.779 3.530 1.00 0.00 H new ATOM 0 HD3 ARG A 112 -11.889 10.176 2.563 1.00 0.00 H new ATOM 0 HE ARG A 112 -12.979 9.246 0.701 1.00 0.00 H new ATOM 0 HH11 ARG A 112 -12.723 6.923 3.346 1.00 0.00 H new ATOM 0 HH12 ARG A 112 -13.851 5.782 2.608 1.00 0.00 H new ATOM 0 HH21 ARG A 112 -14.427 7.775 -0.242 1.00 0.00 H new ATOM 0 HH22 ARG A 112 -14.812 6.262 0.584 1.00 0.00 H new ATOM 1709 N LEU A 113 -6.522 9.123 4.301 1.00 0.00 N ATOM 1710 CA LEU A 113 -5.603 9.722 5.263 1.00 0.00 C ATOM 1711 C LEU A 113 -5.423 11.211 4.989 1.00 0.00 C ATOM 1712 O LEU A 113 -5.421 11.646 3.837 1.00 0.00 O ATOM 1713 CB LEU A 113 -4.247 9.015 5.210 1.00 0.00 C ATOM 1714 CG LEU A 113 -4.267 7.506 5.457 1.00 0.00 C ATOM 1715 CD1 LEU A 113 -2.911 6.895 5.141 1.00 0.00 C ATOM 1716 CD2 LEU A 113 -4.667 7.206 6.895 1.00 0.00 C ATOM 0 H LEU A 113 -6.328 9.360 3.328 1.00 0.00 H new ATOM 0 HA LEU A 113 -6.030 9.603 6.259 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -3.803 9.197 4.231 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -3.591 9.475 5.949 1.00 0.00 H new ATOM 0 HG LEU A 113 -5.007 7.059 4.794 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -2.945 5.821 5.323 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -2.664 7.079 4.095 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -2.151 7.347 5.778 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -4.676 6.128 7.053 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -3.951 7.666 7.576 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -5.661 7.609 7.088 1.00 0.00 H new ATOM 1728 N LYS A 114 -5.271 11.989 6.055 1.00 0.00 N ATOM 1729 CA LYS A 114 -5.087 13.430 5.932 1.00 0.00 C ATOM 1730 C LYS A 114 -3.704 13.846 6.424 1.00 0.00 C ATOM 1731 O LYS A 114 -3.133 13.213 7.312 1.00 0.00 O ATOM 1732 CB LYS A 114 -6.166 14.173 6.723 1.00 0.00 C ATOM 1733 CG LYS A 114 -7.402 14.504 5.904 1.00 0.00 C ATOM 1734 CD LYS A 114 -7.290 15.873 5.255 1.00 0.00 C ATOM 1735 CE LYS A 114 -7.428 16.988 6.280 1.00 0.00 C ATOM 1736 NZ LYS A 114 -6.111 17.383 6.851 1.00 0.00 N ATOM 0 H LYS A 114 -5.272 11.645 7.015 1.00 0.00 H new ATOM 0 HA LYS A 114 -5.173 13.693 4.878 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -6.460 13.566 7.579 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -5.744 15.097 7.118 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -7.543 13.746 5.134 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -8.283 14.475 6.545 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -6.329 15.959 4.749 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -8.062 15.980 4.493 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -7.896 17.855 5.813 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -8.089 16.663 7.083 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -6.068 18.418 6.941 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -5.995 16.949 7.789 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -5.349 17.059 6.222 1.00 0.00 H new ATOM 1750 N THR A 115 -3.171 14.916 5.841 1.00 0.00 N ATOM 1751 CA THR A 115 -1.856 15.416 6.220 1.00 0.00 C ATOM 1752 C THR A 115 -1.966 16.500 7.287 1.00 0.00 C ATOM 1753 O THR A 115 -3.027 17.095 7.473 1.00 0.00 O ATOM 1754 CB THR A 115 -1.099 15.984 5.005 1.00 0.00 C ATOM 1755 OG1 THR A 115 -1.952 16.863 4.263 1.00 0.00 O ATOM 1756 CG2 THR A 115 -0.609 14.863 4.101 1.00 0.00 C ATOM 0 H THR A 115 -3.630 15.452 5.105 1.00 0.00 H new ATOM 0 HA THR A 115 -1.300 14.569 6.622 1.00 0.00 H new ATOM 0 HB THR A 115 -0.235 16.539 5.370 1.00 0.00 H new ATOM 0 HG1 THR A 115 -1.494 17.150 3.445 1.00 0.00 H new ATOM 0 HG21 THR A 115 -0.077 15.288 3.250 1.00 0.00 H new ATOM 0 HG22 THR A 115 0.063 14.212 4.660 1.00 0.00 H new ATOM 0 HG23 THR A 115 -1.461 14.284 3.744 1.00 0.00 H new ATOM 1764 N ASN A 116 -0.864 16.751 7.985 1.00 0.00 N ATOM 1765 CA ASN A 116 -0.838 17.764 9.034 1.00 0.00 C ATOM 1766 C ASN A 116 -1.168 19.142 8.468 1.00 0.00 C ATOM 1767 O ASN A 116 -0.604 19.561 7.457 1.00 0.00 O ATOM 1768 CB ASN A 116 0.535 17.794 9.709 1.00 0.00 C ATOM 1769 CG ASN A 116 0.694 16.698 10.745 1.00 0.00 C ATOM 1770 OD1 ASN A 116 -0.260 16.339 11.437 1.00 0.00 O ATOM 1771 ND2 ASN A 116 1.903 16.160 10.858 1.00 0.00 N ATOM 0 H ASN A 116 0.023 16.267 7.844 1.00 0.00 H new ATOM 0 HA ASN A 116 -1.594 17.504 9.774 1.00 0.00 H new ATOM 0 HB2 ASN A 116 1.312 17.689 8.951 1.00 0.00 H new ATOM 0 HB3 ASN A 116 0.682 18.764 10.184 1.00 0.00 H new ATOM 0 HD21 ASN A 116 2.070 15.419 11.539 1.00 0.00 H new ATOM 0 HD22 ASN A 116 2.665 16.488 10.264 1.00 0.00 H new