USER MOD reduce.3.24.130724 H: found=0, std=0, add=496, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 497 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 52 ASN : amide:sc= -0.101 X(o=-0.1,f=-0.59) USER MOD Set 1.2: A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 22 GLN : amide:sc= 0 X(o=0,f=-0.086) USER MOD Single : A 26 GLN : amide:sc= -0.0415 K(o=-0.041,f=-2.6!) USER MOD Single : A 29 THR OG1 : rot 82:sc= 1.31 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 GLN : amide:sc= -0.57 X(o=-0.57,f=-0.81) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 CYS SG : rot 93:sc= 0.00823 USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 GLN : amide:sc= -0.253 X(o=-0.25,f=-0.028) USER MOD Single : A 58 MET CE :methyl -139:sc= -1.14 (180deg=-5.14!) USER MOD Single : A 59 LYS NZ :NH3+ -167:sc= -0.0199 (180deg=-0.199) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ -172:sc= 0.768 (180deg=0.251) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot 130:sc= -0.0567 USER MOD Single : A 68 SER OG : rot 180:sc= -0.923 USER MOD Single : A 71 THR OG1 : rot 180:sc= -0.736 USER MOD Single : A 73 CYS SG : rot 180:sc= -0.478 USER MOD ----------------------------------------------------------------- ATOM 248 N GLU A 17 -3.530 -11.092 -2.493 1.00 0.00 N ATOM 249 CA GLU A 17 -2.325 -10.252 -2.417 1.00 0.00 C ATOM 250 C GLU A 17 -2.159 -9.323 -3.628 1.00 0.00 C ATOM 251 O GLU A 17 -1.825 -8.163 -3.448 1.00 0.00 O ATOM 252 CB GLU A 17 -1.077 -11.149 -2.238 1.00 0.00 C ATOM 253 CG GLU A 17 -1.166 -12.092 -1.028 1.00 0.00 C ATOM 254 CD GLU A 17 0.126 -12.873 -0.786 1.00 0.00 C ATOM 255 OE1 GLU A 17 1.008 -12.362 -0.070 1.00 0.00 O ATOM 256 OE2 GLU A 17 0.285 -13.978 -1.344 1.00 0.00 O ATOM 0 HA GLU A 17 -2.439 -9.600 -1.551 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -0.934 -11.743 -3.141 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -0.197 -10.515 -2.130 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -1.405 -11.511 -0.138 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -1.986 -12.794 -1.180 1.00 0.00 H new ATOM 263 N GLY A 18 -2.399 -9.851 -4.847 1.00 0.00 N ATOM 264 CA GLY A 18 -2.334 -9.059 -6.076 1.00 0.00 C ATOM 265 C GLY A 18 -3.448 -8.024 -6.254 1.00 0.00 C ATOM 266 O GLY A 18 -3.184 -6.922 -6.710 1.00 0.00 O ATOM 0 H GLY A 18 -2.641 -10.830 -4.998 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -1.375 -8.543 -6.104 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -2.355 -9.739 -6.927 1.00 0.00 H new ATOM 270 N HIS A 19 -4.687 -8.377 -5.895 1.00 0.00 N ATOM 271 CA HIS A 19 -5.849 -7.454 -6.029 1.00 0.00 C ATOM 272 C HIS A 19 -5.773 -6.345 -4.959 1.00 0.00 C ATOM 273 O HIS A 19 -6.095 -5.178 -5.202 1.00 0.00 O ATOM 274 CB HIS A 19 -7.175 -8.231 -5.895 1.00 0.00 C ATOM 275 CG HIS A 19 -7.440 -9.194 -7.026 1.00 0.00 C ATOM 276 ND1 HIS A 19 -7.470 -10.563 -6.866 1.00 0.00 N ATOM 277 CD2 HIS A 19 -7.714 -8.972 -8.333 1.00 0.00 C ATOM 278 CE1 HIS A 19 -7.748 -11.137 -8.015 1.00 0.00 C ATOM 279 NE2 HIS A 19 -7.906 -10.197 -8.919 1.00 0.00 N ATOM 0 H HIS A 19 -4.924 -9.291 -5.509 1.00 0.00 H new ATOM 0 HA HIS A 19 -5.814 -6.995 -7.017 1.00 0.00 H new ATOM 0 HB2 HIS A 19 -7.167 -8.784 -4.956 1.00 0.00 H new ATOM 0 HB3 HIS A 19 -7.998 -7.518 -5.838 1.00 0.00 H new ATOM 0 HD2 HIS A 19 -7.771 -8.011 -8.822 1.00 0.00 H new ATOM 0 HE1 HIS A 19 -7.832 -12.200 -8.187 1.00 0.00 H new ATOM 0 HE2 HIS A 19 -8.135 -10.353 -9.901 1.00 0.00 H new ATOM 288 N LEU A 20 -5.325 -6.776 -3.783 1.00 0.00 N ATOM 289 CA LEU A 20 -5.036 -5.932 -2.623 1.00 0.00 C ATOM 290 C LEU A 20 -3.838 -4.997 -2.928 1.00 0.00 C ATOM 291 O LEU A 20 -3.826 -3.852 -2.492 1.00 0.00 O ATOM 292 CB LEU A 20 -4.788 -6.879 -1.408 1.00 0.00 C ATOM 293 CG LEU A 20 -4.585 -6.250 0.016 1.00 0.00 C ATOM 294 CD1 LEU A 20 -3.129 -5.788 0.264 1.00 0.00 C ATOM 295 CD2 LEU A 20 -5.599 -5.103 0.272 1.00 0.00 C ATOM 0 H LEU A 20 -5.145 -7.764 -3.603 1.00 0.00 H new ATOM 0 HA LEU A 20 -5.870 -5.273 -2.384 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -5.633 -7.565 -1.348 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -3.906 -7.478 -1.632 1.00 0.00 H new ATOM 0 HG LEU A 20 -4.782 -7.041 0.739 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -3.048 -5.362 1.264 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -2.457 -6.642 0.178 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -2.855 -5.035 -0.475 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -5.434 -4.687 1.266 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -5.461 -4.322 -0.476 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -6.614 -5.494 0.206 1.00 0.00 H new ATOM 307 N GLU A 21 -2.856 -5.519 -3.686 1.00 0.00 N ATOM 308 CA GLU A 21 -1.691 -4.751 -4.191 1.00 0.00 C ATOM 309 C GLU A 21 -2.161 -3.600 -5.091 1.00 0.00 C ATOM 310 O GLU A 21 -1.724 -2.457 -4.944 1.00 0.00 O ATOM 311 CB GLU A 21 -0.760 -5.704 -4.988 1.00 0.00 C ATOM 312 CG GLU A 21 0.455 -5.052 -5.647 1.00 0.00 C ATOM 313 CD GLU A 21 1.263 -6.031 -6.498 1.00 0.00 C ATOM 314 OE1 GLU A 21 2.169 -6.712 -5.964 1.00 0.00 O ATOM 315 OE2 GLU A 21 0.989 -6.141 -7.709 1.00 0.00 O ATOM 0 H GLU A 21 -2.845 -6.498 -3.971 1.00 0.00 H new ATOM 0 HA GLU A 21 -1.145 -4.327 -3.348 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -0.408 -6.485 -4.314 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -1.350 -6.194 -5.763 1.00 0.00 H new ATOM 0 HG2 GLU A 21 0.123 -4.223 -6.272 1.00 0.00 H new ATOM 0 HG3 GLU A 21 1.099 -4.631 -4.875 1.00 0.00 H new ATOM 322 N GLN A 22 -3.090 -3.938 -5.998 1.00 0.00 N ATOM 323 CA GLN A 22 -3.684 -2.984 -6.949 1.00 0.00 C ATOM 324 C GLN A 22 -4.516 -1.935 -6.205 1.00 0.00 C ATOM 325 O GLN A 22 -4.585 -0.779 -6.630 1.00 0.00 O ATOM 326 CB GLN A 22 -4.560 -3.730 -7.983 1.00 0.00 C ATOM 327 CG GLN A 22 -3.782 -4.747 -8.840 1.00 0.00 C ATOM 328 CD GLN A 22 -4.673 -5.667 -9.678 1.00 0.00 C ATOM 329 OE1 GLN A 22 -5.746 -5.277 -10.137 1.00 0.00 O ATOM 330 NE2 GLN A 22 -4.240 -6.905 -9.851 1.00 0.00 N ATOM 0 H GLN A 22 -3.453 -4.886 -6.093 1.00 0.00 H new ATOM 0 HA GLN A 22 -2.878 -2.475 -7.478 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -5.362 -4.249 -7.458 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -5.031 -2.999 -8.641 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -3.109 -4.206 -9.505 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -3.161 -5.358 -8.185 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -3.345 -7.192 -9.455 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -4.801 -7.572 -10.380 1.00 0.00 H new ATOM 339 N ARG A 23 -5.135 -2.348 -5.082 1.00 0.00 N ATOM 340 CA ARG A 23 -5.918 -1.458 -4.214 1.00 0.00 C ATOM 341 C ARG A 23 -4.974 -0.427 -3.552 1.00 0.00 C ATOM 342 O ARG A 23 -5.250 0.769 -3.603 1.00 0.00 O ATOM 343 CB ARG A 23 -6.676 -2.307 -3.134 1.00 0.00 C ATOM 344 CG ARG A 23 -8.122 -1.856 -2.777 1.00 0.00 C ATOM 345 CD ARG A 23 -8.254 -0.425 -2.213 1.00 0.00 C ATOM 346 NE ARG A 23 -8.235 0.628 -3.252 1.00 0.00 N ATOM 347 CZ ARG A 23 -8.674 1.886 -3.080 1.00 0.00 C ATOM 348 NH1 ARG A 23 -9.186 2.270 -1.918 1.00 0.00 N ATOM 349 NH2 ARG A 23 -8.571 2.757 -4.066 1.00 0.00 N ATOM 0 H ARG A 23 -5.104 -3.313 -4.753 1.00 0.00 H new ATOM 0 HA ARG A 23 -6.659 -0.919 -4.804 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -6.718 -3.339 -3.481 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -6.083 -2.302 -2.220 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -8.739 -1.933 -3.672 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -8.531 -2.554 -2.047 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -9.184 -0.350 -1.650 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -7.440 -0.244 -1.510 1.00 0.00 H new ATOM 0 HE ARG A 23 -7.860 0.380 -4.168 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -9.249 1.608 -1.145 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -9.516 3.227 -1.798 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -8.159 2.474 -4.955 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -8.903 3.713 -3.939 1.00 0.00 H new ATOM 363 N ILE A 24 -3.851 -0.929 -2.976 1.00 0.00 N ATOM 364 CA ILE A 24 -2.830 -0.094 -2.308 1.00 0.00 C ATOM 365 C ILE A 24 -2.286 0.953 -3.292 1.00 0.00 C ATOM 366 O ILE A 24 -2.289 2.146 -2.979 1.00 0.00 O ATOM 367 CB ILE A 24 -1.631 -0.944 -1.718 1.00 0.00 C ATOM 368 CG1 ILE A 24 -2.122 -1.912 -0.587 1.00 0.00 C ATOM 369 CG2 ILE A 24 -0.488 -0.023 -1.194 1.00 0.00 C ATOM 370 CD1 ILE A 24 -1.047 -2.844 -0.047 1.00 0.00 C ATOM 0 H ILE A 24 -3.632 -1.925 -2.964 1.00 0.00 H new ATOM 0 HA ILE A 24 -3.321 0.396 -1.468 1.00 0.00 H new ATOM 0 HB ILE A 24 -1.231 -1.550 -2.531 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -2.518 -1.318 0.237 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -2.946 -2.512 -0.972 1.00 0.00 H new ATOM 0 HG21 ILE A 24 0.320 -0.637 -0.796 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -0.109 0.589 -2.013 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -0.874 0.624 -0.407 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -1.472 -3.478 0.731 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -0.666 -3.468 -0.856 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -0.231 -2.255 0.371 1.00 0.00 H new ATOM 382 N LEU A 25 -1.899 0.493 -4.510 1.00 0.00 N ATOM 383 CA LEU A 25 -1.375 1.362 -5.583 1.00 0.00 C ATOM 384 C LEU A 25 -2.367 2.482 -5.910 1.00 0.00 C ATOM 385 O LEU A 25 -1.970 3.637 -6.086 1.00 0.00 O ATOM 386 CB LEU A 25 -1.075 0.536 -6.875 1.00 0.00 C ATOM 387 CG LEU A 25 0.140 -0.439 -6.810 1.00 0.00 C ATOM 388 CD1 LEU A 25 0.286 -1.257 -8.120 1.00 0.00 C ATOM 389 CD2 LEU A 25 1.437 0.334 -6.484 1.00 0.00 C ATOM 0 H LEU A 25 -1.944 -0.492 -4.770 1.00 0.00 H new ATOM 0 HA LEU A 25 -0.446 1.804 -5.223 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -1.964 -0.043 -7.124 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -0.909 1.234 -7.696 1.00 0.00 H new ATOM 0 HG LEU A 25 -0.044 -1.152 -6.006 1.00 0.00 H new ATOM 0 HD11 LEU A 25 1.143 -1.925 -8.038 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -0.618 -1.844 -8.285 1.00 0.00 H new ATOM 0 HD13 LEU A 25 0.435 -0.577 -8.959 1.00 0.00 H new ATOM 0 HD21 LEU A 25 2.275 -0.362 -6.443 1.00 0.00 H new ATOM 0 HD22 LEU A 25 1.622 1.078 -7.259 1.00 0.00 H new ATOM 0 HD23 LEU A 25 1.331 0.832 -5.520 1.00 0.00 H new ATOM 401 N GLN A 26 -3.666 2.124 -5.925 1.00 0.00 N ATOM 402 CA GLN A 26 -4.745 3.046 -6.296 1.00 0.00 C ATOM 403 C GLN A 26 -4.949 4.115 -5.202 1.00 0.00 C ATOM 404 O GLN A 26 -5.123 5.286 -5.526 1.00 0.00 O ATOM 405 CB GLN A 26 -6.057 2.269 -6.570 1.00 0.00 C ATOM 406 CG GLN A 26 -7.179 3.120 -7.201 1.00 0.00 C ATOM 407 CD GLN A 26 -8.486 2.350 -7.399 1.00 0.00 C ATOM 408 OE1 GLN A 26 -8.783 1.419 -6.656 1.00 0.00 O ATOM 409 NE2 GLN A 26 -9.285 2.742 -8.378 1.00 0.00 N ATOM 0 H GLN A 26 -3.991 1.189 -5.680 1.00 0.00 H new ATOM 0 HA GLN A 26 -4.460 3.558 -7.215 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -5.838 1.430 -7.231 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -6.420 1.849 -5.632 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -7.368 3.986 -6.567 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -6.839 3.499 -8.165 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -9.011 3.519 -8.979 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -10.175 2.267 -8.531 1.00 0.00 H new ATOM 418 N VAL A 27 -4.896 3.701 -3.910 1.00 0.00 N ATOM 419 CA VAL A 27 -4.960 4.633 -2.749 1.00 0.00 C ATOM 420 C VAL A 27 -3.869 5.716 -2.874 1.00 0.00 C ATOM 421 O VAL A 27 -4.135 6.916 -2.726 1.00 0.00 O ATOM 422 CB VAL A 27 -4.766 3.879 -1.370 1.00 0.00 C ATOM 423 CG1 VAL A 27 -4.838 4.850 -0.164 1.00 0.00 C ATOM 424 CG2 VAL A 27 -5.779 2.729 -1.195 1.00 0.00 C ATOM 0 H VAL A 27 -4.808 2.721 -3.643 1.00 0.00 H new ATOM 0 HA VAL A 27 -5.951 5.086 -2.761 1.00 0.00 H new ATOM 0 HB VAL A 27 -3.766 3.446 -1.395 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -4.700 4.291 0.762 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -4.054 5.602 -0.255 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -5.811 5.341 -0.150 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -5.611 2.239 -0.236 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -6.792 3.129 -1.225 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -5.651 2.005 -2.000 1.00 0.00 H new ATOM 434 N LEU A 28 -2.657 5.245 -3.199 1.00 0.00 N ATOM 435 CA LEU A 28 -1.456 6.081 -3.347 1.00 0.00 C ATOM 436 C LEU A 28 -1.597 7.059 -4.536 1.00 0.00 C ATOM 437 O LEU A 28 -1.190 8.221 -4.443 1.00 0.00 O ATOM 438 CB LEU A 28 -0.222 5.164 -3.543 1.00 0.00 C ATOM 439 CG LEU A 28 0.048 4.134 -2.402 1.00 0.00 C ATOM 440 CD1 LEU A 28 1.169 3.163 -2.794 1.00 0.00 C ATOM 441 CD2 LEU A 28 0.355 4.829 -1.064 1.00 0.00 C ATOM 0 H LEU A 28 -2.480 4.255 -3.370 1.00 0.00 H new ATOM 0 HA LEU A 28 -1.329 6.680 -2.445 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -0.344 4.618 -4.478 1.00 0.00 H new ATOM 0 HB3 LEU A 28 0.661 5.794 -3.654 1.00 0.00 H new ATOM 0 HG LEU A 28 -0.866 3.557 -2.261 1.00 0.00 H new ATOM 0 HD11 LEU A 28 1.338 2.456 -1.982 1.00 0.00 H new ATOM 0 HD12 LEU A 28 0.882 2.620 -3.695 1.00 0.00 H new ATOM 0 HD13 LEU A 28 2.085 3.722 -2.984 1.00 0.00 H new ATOM 0 HD21 LEU A 28 0.537 4.077 -0.297 1.00 0.00 H new ATOM 0 HD22 LEU A 28 1.240 5.456 -1.174 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -0.494 5.447 -0.772 1.00 0.00 H new ATOM 453 N THR A 29 -2.190 6.561 -5.640 1.00 0.00 N ATOM 454 CA THR A 29 -2.371 7.311 -6.894 1.00 0.00 C ATOM 455 C THR A 29 -3.402 8.443 -6.746 1.00 0.00 C ATOM 456 O THR A 29 -3.133 9.586 -7.137 1.00 0.00 O ATOM 457 CB THR A 29 -2.818 6.333 -8.029 1.00 0.00 C ATOM 458 OG1 THR A 29 -1.827 5.305 -8.199 1.00 0.00 O ATOM 459 CG2 THR A 29 -3.045 7.038 -9.377 1.00 0.00 C ATOM 0 H THR A 29 -2.561 5.612 -5.683 1.00 0.00 H new ATOM 0 HA THR A 29 -1.415 7.769 -7.149 1.00 0.00 H new ATOM 0 HB THR A 29 -3.772 5.907 -7.719 1.00 0.00 H new ATOM 0 HG1 THR A 29 -1.965 4.604 -7.529 1.00 0.00 H new ATOM 0 HG21 THR A 29 -3.353 6.306 -10.123 1.00 0.00 H new ATOM 0 HG22 THR A 29 -3.823 7.793 -9.266 1.00 0.00 H new ATOM 0 HG23 THR A 29 -2.119 7.516 -9.698 1.00 0.00 H new ATOM 467 N GLU A 30 -4.579 8.117 -6.165 1.00 0.00 N ATOM 468 CA GLU A 30 -5.702 9.061 -6.009 1.00 0.00 C ATOM 469 C GLU A 30 -5.326 10.173 -5.029 1.00 0.00 C ATOM 470 O GLU A 30 -5.717 11.330 -5.208 1.00 0.00 O ATOM 471 CB GLU A 30 -6.965 8.307 -5.514 1.00 0.00 C ATOM 472 CG GLU A 30 -7.455 7.195 -6.459 1.00 0.00 C ATOM 473 CD GLU A 30 -8.605 6.368 -5.862 1.00 0.00 C ATOM 474 OE1 GLU A 30 -8.342 5.507 -4.994 1.00 0.00 O ATOM 475 OE2 GLU A 30 -9.774 6.588 -6.240 1.00 0.00 O ATOM 0 H GLU A 30 -4.774 7.188 -5.791 1.00 0.00 H new ATOM 0 HA GLU A 30 -5.921 9.512 -6.977 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -6.753 7.870 -4.538 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -7.771 9.027 -5.372 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -7.784 7.641 -7.398 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -6.622 6.533 -6.695 1.00 0.00 H new ATOM 482 N ALA A 31 -4.556 9.795 -3.998 1.00 0.00 N ATOM 483 CA ALA A 31 -3.956 10.746 -3.055 1.00 0.00 C ATOM 484 C ALA A 31 -2.934 11.637 -3.760 1.00 0.00 C ATOM 485 O ALA A 31 -2.904 12.856 -3.560 1.00 0.00 O ATOM 486 CB ALA A 31 -3.271 9.985 -1.914 1.00 0.00 C ATOM 0 H ALA A 31 -4.333 8.821 -3.796 1.00 0.00 H new ATOM 0 HA ALA A 31 -4.749 11.376 -2.652 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -2.827 10.696 -1.217 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -4.007 9.375 -1.390 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -2.491 9.342 -2.322 1.00 0.00 H new ATOM 492 N GLY A 32 -2.098 10.989 -4.588 1.00 0.00 N ATOM 493 CA GLY A 32 -0.941 11.635 -5.205 1.00 0.00 C ATOM 494 C GLY A 32 0.102 12.054 -4.166 1.00 0.00 C ATOM 495 O GLY A 32 0.897 12.965 -4.403 1.00 0.00 O ATOM 0 H GLY A 32 -2.209 10.008 -4.844 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -0.485 10.953 -5.923 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -1.270 12.512 -5.763 1.00 0.00 H new ATOM 499 N SER A 33 0.084 11.367 -3.013 1.00 0.00 N ATOM 500 CA SER A 33 0.881 11.715 -1.824 1.00 0.00 C ATOM 501 C SER A 33 1.142 10.441 -0.992 1.00 0.00 C ATOM 502 O SER A 33 0.307 9.523 -1.028 1.00 0.00 O ATOM 503 CB SER A 33 0.117 12.764 -0.972 1.00 0.00 C ATOM 504 OG SER A 33 -0.153 13.953 -1.706 1.00 0.00 O ATOM 0 H SER A 33 -0.495 10.539 -2.878 1.00 0.00 H new ATOM 0 HA SER A 33 1.835 12.141 -2.134 1.00 0.00 H new ATOM 0 HB2 SER A 33 -0.821 12.333 -0.622 1.00 0.00 H new ATOM 0 HB3 SER A 33 0.704 13.010 -0.087 1.00 0.00 H new ATOM 0 HG SER A 33 -0.636 14.587 -1.136 1.00 0.00 H new ATOM 510 N PRO A 34 2.300 10.347 -0.254 1.00 0.00 N ATOM 511 CA PRO A 34 2.599 9.184 0.616 1.00 0.00 C ATOM 512 C PRO A 34 1.478 8.919 1.645 1.00 0.00 C ATOM 513 O PRO A 34 1.223 9.753 2.520 1.00 0.00 O ATOM 514 CB PRO A 34 3.939 9.572 1.307 1.00 0.00 C ATOM 515 CG PRO A 34 4.563 10.591 0.406 1.00 0.00 C ATOM 516 CD PRO A 34 3.410 11.344 -0.226 1.00 0.00 C ATOM 0 HA PRO A 34 2.671 8.254 0.052 1.00 0.00 H new ATOM 0 HB2 PRO A 34 3.765 9.980 2.303 1.00 0.00 H new ATOM 0 HB3 PRO A 34 4.586 8.703 1.427 1.00 0.00 H new ATOM 0 HG2 PRO A 34 5.210 11.265 0.967 1.00 0.00 H new ATOM 0 HG3 PRO A 34 5.182 10.114 -0.354 1.00 0.00 H new ATOM 0 HD2 PRO A 34 3.141 12.225 0.357 1.00 0.00 H new ATOM 0 HD3 PRO A 34 3.661 11.690 -1.229 1.00 0.00 H new ATOM 524 N VAL A 35 0.807 7.767 1.510 1.00 0.00 N ATOM 525 CA VAL A 35 -0.295 7.357 2.388 1.00 0.00 C ATOM 526 C VAL A 35 0.258 6.437 3.484 1.00 0.00 C ATOM 527 O VAL A 35 0.982 5.483 3.185 1.00 0.00 O ATOM 528 CB VAL A 35 -1.421 6.609 1.583 1.00 0.00 C ATOM 529 CG1 VAL A 35 -2.548 6.109 2.507 1.00 0.00 C ATOM 530 CG2 VAL A 35 -1.987 7.503 0.455 1.00 0.00 C ATOM 0 H VAL A 35 1.017 7.087 0.780 1.00 0.00 H new ATOM 0 HA VAL A 35 -0.738 8.249 2.831 1.00 0.00 H new ATOM 0 HB VAL A 35 -0.962 5.733 1.124 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -3.306 5.598 1.913 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -2.136 5.418 3.242 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -3.001 6.957 3.021 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -2.763 6.960 -0.085 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -2.411 8.409 0.887 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -1.186 7.771 -0.234 1.00 0.00 H new ATOM 540 N LYS A 36 -0.106 6.723 4.745 1.00 0.00 N ATOM 541 CA LYS A 36 0.356 5.951 5.907 1.00 0.00 C ATOM 542 C LYS A 36 -0.347 4.589 5.943 1.00 0.00 C ATOM 543 O LYS A 36 -1.468 4.470 5.446 1.00 0.00 O ATOM 544 CB LYS A 36 0.085 6.752 7.205 1.00 0.00 C ATOM 545 CG LYS A 36 0.611 8.208 7.165 1.00 0.00 C ATOM 546 CD LYS A 36 0.408 8.976 8.488 1.00 0.00 C ATOM 547 CE LYS A 36 1.230 8.388 9.634 1.00 0.00 C ATOM 548 NZ LYS A 36 1.026 9.127 10.903 1.00 0.00 N ATOM 0 H LYS A 36 -0.728 7.495 4.986 1.00 0.00 H new ATOM 0 HA LYS A 36 1.429 5.777 5.827 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -0.989 6.769 7.392 1.00 0.00 H new ATOM 0 HB3 LYS A 36 0.547 6.232 8.044 1.00 0.00 H new ATOM 0 HG2 LYS A 36 1.673 8.195 6.922 1.00 0.00 H new ATOM 0 HG3 LYS A 36 0.107 8.745 6.362 1.00 0.00 H new ATOM 0 HD2 LYS A 36 0.684 10.021 8.345 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -0.648 8.960 8.756 1.00 0.00 H new ATOM 0 HE2 LYS A 36 0.957 7.342 9.776 1.00 0.00 H new ATOM 0 HE3 LYS A 36 2.287 8.408 9.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 1.602 8.695 11.653 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 1.311 10.119 10.776 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 0.022 9.086 11.171 1.00 0.00 H new ATOM 562 N LEU A 37 0.340 3.585 6.518 1.00 0.00 N ATOM 563 CA LEU A 37 -0.179 2.217 6.675 1.00 0.00 C ATOM 564 C LEU A 37 -1.540 2.217 7.396 1.00 0.00 C ATOM 565 O LEU A 37 -2.449 1.513 6.978 1.00 0.00 O ATOM 566 CB LEU A 37 0.859 1.332 7.420 1.00 0.00 C ATOM 567 CG LEU A 37 0.397 -0.112 7.813 1.00 0.00 C ATOM 568 CD1 LEU A 37 -0.111 -0.934 6.599 1.00 0.00 C ATOM 569 CD2 LEU A 37 1.527 -0.851 8.553 1.00 0.00 C ATOM 0 H LEU A 37 1.282 3.704 6.891 1.00 0.00 H new ATOM 0 HA LEU A 37 -0.340 1.792 5.684 1.00 0.00 H new ATOM 0 HB2 LEU A 37 1.746 1.247 6.793 1.00 0.00 H new ATOM 0 HB3 LEU A 37 1.160 1.852 8.329 1.00 0.00 H new ATOM 0 HG LEU A 37 -0.455 -0.005 8.484 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -0.417 -1.925 6.933 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -0.962 -0.425 6.145 1.00 0.00 H new ATOM 0 HD13 LEU A 37 0.688 -1.030 5.864 1.00 0.00 H new ATOM 0 HD21 LEU A 37 1.192 -1.853 8.820 1.00 0.00 H new ATOM 0 HD22 LEU A 37 2.401 -0.921 7.905 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.789 -0.303 9.458 1.00 0.00 H new ATOM 581 N ALA A 38 -1.641 3.006 8.480 1.00 0.00 N ATOM 582 CA ALA A 38 -2.910 3.292 9.179 1.00 0.00 C ATOM 583 C ALA A 38 -4.063 3.622 8.206 1.00 0.00 C ATOM 584 O ALA A 38 -5.144 3.033 8.295 1.00 0.00 O ATOM 585 CB ALA A 38 -2.717 4.436 10.180 1.00 0.00 C ATOM 0 H ALA A 38 -0.836 3.469 8.901 1.00 0.00 H new ATOM 0 HA ALA A 38 -3.193 2.384 9.712 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -3.660 4.637 10.689 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -1.962 4.154 10.914 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -2.392 5.332 9.651 1.00 0.00 H new ATOM 591 N GLN A 39 -3.817 4.536 7.252 1.00 0.00 N ATOM 592 CA GLN A 39 -4.825 4.936 6.260 1.00 0.00 C ATOM 593 C GLN A 39 -4.969 3.862 5.161 1.00 0.00 C ATOM 594 O GLN A 39 -6.051 3.694 4.603 1.00 0.00 O ATOM 595 CB GLN A 39 -4.472 6.322 5.671 1.00 0.00 C ATOM 596 CG GLN A 39 -5.469 6.849 4.615 1.00 0.00 C ATOM 597 CD GLN A 39 -5.080 8.209 4.031 1.00 0.00 C ATOM 598 OE1 GLN A 39 -4.509 9.058 4.713 1.00 0.00 O ATOM 599 NE2 GLN A 39 -5.355 8.407 2.755 1.00 0.00 N ATOM 0 H GLN A 39 -2.922 5.014 7.148 1.00 0.00 H new ATOM 0 HA GLN A 39 -5.793 5.021 6.753 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -4.412 7.043 6.486 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -3.481 6.268 5.220 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -5.545 6.123 3.805 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -6.458 6.926 5.067 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -5.830 7.682 2.217 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -5.093 9.285 2.307 1.00 0.00 H new ATOM 608 N LEU A 40 -3.890 3.099 4.889 1.00 0.00 N ATOM 609 CA LEU A 40 -3.944 1.959 3.948 1.00 0.00 C ATOM 610 C LEU A 40 -4.909 0.876 4.472 1.00 0.00 C ATOM 611 O LEU A 40 -5.546 0.196 3.678 1.00 0.00 O ATOM 612 CB LEU A 40 -2.527 1.360 3.688 1.00 0.00 C ATOM 613 CG LEU A 40 -1.525 2.256 2.883 1.00 0.00 C ATOM 614 CD1 LEU A 40 -0.118 1.609 2.829 1.00 0.00 C ATOM 615 CD2 LEU A 40 -2.060 2.549 1.455 1.00 0.00 C ATOM 0 H LEU A 40 -2.972 3.251 5.307 1.00 0.00 H new ATOM 0 HA LEU A 40 -4.320 2.331 2.995 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -2.075 1.124 4.651 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -2.648 0.418 3.153 1.00 0.00 H new ATOM 0 HG LEU A 40 -1.435 3.208 3.407 1.00 0.00 H new ATOM 0 HD11 LEU A 40 0.557 2.252 2.264 1.00 0.00 H new ATOM 0 HD12 LEU A 40 0.264 1.483 3.842 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -0.183 0.636 2.342 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -1.344 3.173 0.919 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -2.197 1.610 0.918 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -3.015 3.070 1.524 1.00 0.00 H new ATOM 627 N VAL A 41 -5.005 0.734 5.818 1.00 0.00 N ATOM 628 CA VAL A 41 -5.962 -0.187 6.472 1.00 0.00 C ATOM 629 C VAL A 41 -7.403 0.172 6.099 1.00 0.00 C ATOM 630 O VAL A 41 -8.137 -0.666 5.566 1.00 0.00 O ATOM 631 CB VAL A 41 -5.800 -0.201 8.044 1.00 0.00 C ATOM 632 CG1 VAL A 41 -6.781 -1.190 8.720 1.00 0.00 C ATOM 633 CG2 VAL A 41 -4.349 -0.522 8.461 1.00 0.00 C ATOM 0 H VAL A 41 -4.423 1.253 6.476 1.00 0.00 H new ATOM 0 HA VAL A 41 -5.735 -1.188 6.107 1.00 0.00 H new ATOM 0 HB VAL A 41 -6.045 0.804 8.389 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -6.635 -1.167 9.800 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -7.806 -0.902 8.487 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -6.594 -2.198 8.350 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -4.275 -0.523 9.548 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -4.069 -1.503 8.077 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -3.677 0.233 8.052 1.00 0.00 H new ATOM 643 N LYS A 42 -7.785 1.438 6.351 1.00 0.00 N ATOM 644 CA LYS A 42 -9.174 1.888 6.165 1.00 0.00 C ATOM 645 C LYS A 42 -9.558 1.947 4.667 1.00 0.00 C ATOM 646 O LYS A 42 -10.658 1.532 4.299 1.00 0.00 O ATOM 647 CB LYS A 42 -9.426 3.259 6.862 1.00 0.00 C ATOM 648 CG LYS A 42 -8.583 4.439 6.331 1.00 0.00 C ATOM 649 CD LYS A 42 -9.039 5.823 6.859 1.00 0.00 C ATOM 650 CE LYS A 42 -10.506 6.137 6.500 1.00 0.00 C ATOM 651 NZ LYS A 42 -10.891 7.539 6.806 1.00 0.00 N ATOM 0 H LYS A 42 -7.151 2.165 6.683 1.00 0.00 H new ATOM 0 HA LYS A 42 -9.819 1.149 6.641 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -10.481 3.512 6.756 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -9.230 3.146 7.928 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -7.540 4.281 6.607 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -8.627 4.444 5.242 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -8.919 5.853 7.942 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -8.393 6.597 6.445 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -10.663 5.946 5.438 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -11.161 5.459 7.046 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -11.886 7.691 6.544 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -10.770 7.718 7.823 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -10.287 8.191 6.265 1.00 0.00 H new ATOM 665 N GLU A 43 -8.649 2.456 3.812 1.00 0.00 N ATOM 666 CA GLU A 43 -8.902 2.617 2.364 1.00 0.00 C ATOM 667 C GLU A 43 -8.912 1.286 1.600 1.00 0.00 C ATOM 668 O GLU A 43 -9.665 1.142 0.643 1.00 0.00 O ATOM 669 CB GLU A 43 -7.857 3.579 1.749 1.00 0.00 C ATOM 670 CG GLU A 43 -7.840 4.998 2.366 1.00 0.00 C ATOM 671 CD GLU A 43 -9.190 5.733 2.295 1.00 0.00 C ATOM 672 OE1 GLU A 43 -10.012 5.597 3.223 1.00 0.00 O ATOM 673 OE2 GLU A 43 -9.438 6.454 1.307 1.00 0.00 O ATOM 0 H GLU A 43 -7.722 2.766 4.103 1.00 0.00 H new ATOM 0 HA GLU A 43 -9.902 3.039 2.264 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -6.867 3.137 1.861 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -8.048 3.665 0.679 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -7.533 4.925 3.409 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -7.086 5.596 1.854 1.00 0.00 H new ATOM 680 N CYS A 44 -8.051 0.333 1.989 1.00 0.00 N ATOM 681 CA CYS A 44 -8.051 -1.017 1.383 1.00 0.00 C ATOM 682 C CYS A 44 -9.098 -1.927 2.040 1.00 0.00 C ATOM 683 O CYS A 44 -9.456 -2.963 1.471 1.00 0.00 O ATOM 684 CB CYS A 44 -6.643 -1.644 1.457 1.00 0.00 C ATOM 685 SG CYS A 44 -5.367 -0.672 0.617 1.00 0.00 S ATOM 0 H CYS A 44 -7.348 0.466 2.716 1.00 0.00 H new ATOM 0 HA CYS A 44 -8.324 -0.914 0.333 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -6.364 -1.766 2.504 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -6.676 -2.641 1.018 1.00 0.00 H new ATOM 0 HG CYS A 44 -4.796 0.124 1.471 1.00 0.00 H new ATOM 691 N GLN A 45 -9.573 -1.518 3.240 1.00 0.00 N ATOM 692 CA GLN A 45 -10.597 -2.249 4.036 1.00 0.00 C ATOM 693 C GLN A 45 -10.137 -3.682 4.386 1.00 0.00 C ATOM 694 O GLN A 45 -10.956 -4.578 4.637 1.00 0.00 O ATOM 695 CB GLN A 45 -11.963 -2.240 3.301 1.00 0.00 C ATOM 696 CG GLN A 45 -12.567 -0.841 3.124 1.00 0.00 C ATOM 697 CD GLN A 45 -13.893 -0.852 2.381 1.00 0.00 C ATOM 698 OE1 GLN A 45 -13.933 -0.751 1.156 1.00 0.00 O ATOM 699 NE2 GLN A 45 -14.988 -0.964 3.116 1.00 0.00 N ATOM 0 H GLN A 45 -9.254 -0.661 3.691 1.00 0.00 H new ATOM 0 HA GLN A 45 -10.724 -1.727 4.984 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -11.839 -2.698 2.320 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -12.667 -2.861 3.856 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -12.711 -0.388 4.105 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -11.860 -0.213 2.583 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -14.915 -1.046 4.130 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -15.904 -0.969 2.668 1.00 0.00 H new ATOM 708 N ALA A 46 -8.813 -3.848 4.466 1.00 0.00 N ATOM 709 CA ALA A 46 -8.153 -5.143 4.669 1.00 0.00 C ATOM 710 C ALA A 46 -7.331 -5.116 5.972 1.00 0.00 C ATOM 711 O ALA A 46 -6.937 -4.023 6.420 1.00 0.00 O ATOM 712 CB ALA A 46 -7.263 -5.437 3.451 1.00 0.00 C ATOM 0 H ALA A 46 -8.157 -3.071 4.390 1.00 0.00 H new ATOM 0 HA ALA A 46 -8.895 -5.936 4.764 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -6.765 -6.397 3.587 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -7.877 -5.471 2.551 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -6.514 -4.651 3.349 1.00 0.00 H new ATOM 718 N PRO A 47 -7.074 -6.302 6.618 1.00 0.00 N ATOM 719 CA PRO A 47 -6.256 -6.376 7.849 1.00 0.00 C ATOM 720 C PRO A 47 -4.797 -5.927 7.599 1.00 0.00 C ATOM 721 O PRO A 47 -4.167 -6.352 6.621 1.00 0.00 O ATOM 722 CB PRO A 47 -6.349 -7.872 8.266 1.00 0.00 C ATOM 723 CG PRO A 47 -6.719 -8.607 7.019 1.00 0.00 C ATOM 724 CD PRO A 47 -7.569 -7.649 6.213 1.00 0.00 C ATOM 0 HA PRO A 47 -6.613 -5.706 8.631 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -5.400 -8.229 8.666 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -7.097 -8.017 9.045 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -5.830 -8.905 6.462 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -7.270 -9.518 7.251 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -7.450 -7.813 5.142 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -8.629 -7.769 6.438 1.00 0.00 H new ATOM 732 N LYS A 48 -4.313 -5.029 8.487 1.00 0.00 N ATOM 733 CA LYS A 48 -2.945 -4.466 8.480 1.00 0.00 C ATOM 734 C LYS A 48 -1.849 -5.531 8.259 1.00 0.00 C ATOM 735 O LYS A 48 -0.905 -5.296 7.504 1.00 0.00 O ATOM 736 CB LYS A 48 -2.700 -3.707 9.808 1.00 0.00 C ATOM 737 CG LYS A 48 -1.321 -3.030 9.911 1.00 0.00 C ATOM 738 CD LYS A 48 -1.091 -2.333 11.268 1.00 0.00 C ATOM 739 CE LYS A 48 -2.083 -1.186 11.525 1.00 0.00 C ATOM 740 NZ LYS A 48 -1.863 -0.551 12.850 1.00 0.00 N ATOM 0 H LYS A 48 -4.882 -4.665 9.252 1.00 0.00 H new ATOM 0 HA LYS A 48 -2.878 -3.783 7.633 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -3.473 -2.948 9.926 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -2.810 -4.406 10.637 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -0.543 -3.778 9.756 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -1.222 -2.297 9.111 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -1.178 -3.068 12.068 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -0.074 -1.942 11.303 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -1.981 -0.435 10.741 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -3.102 -1.568 11.470 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -2.551 0.217 12.985 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -1.985 -1.261 13.600 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -0.899 -0.164 12.894 1.00 0.00 H new ATOM 754 N ARG A 49 -2.016 -6.699 8.906 1.00 0.00 N ATOM 755 CA ARG A 49 -1.089 -7.845 8.788 1.00 0.00 C ATOM 756 C ARG A 49 -0.872 -8.240 7.311 1.00 0.00 C ATOM 757 O ARG A 49 0.270 -8.322 6.854 1.00 0.00 O ATOM 758 CB ARG A 49 -1.634 -9.051 9.601 1.00 0.00 C ATOM 759 CG ARG A 49 -1.772 -8.791 11.118 1.00 0.00 C ATOM 760 CD ARG A 49 -2.435 -9.971 11.859 1.00 0.00 C ATOM 761 NE ARG A 49 -3.794 -10.278 11.344 1.00 0.00 N ATOM 762 CZ ARG A 49 -4.959 -9.901 11.909 1.00 0.00 C ATOM 763 NH1 ARG A 49 -4.978 -9.181 13.028 1.00 0.00 N ATOM 764 NH2 ARG A 49 -6.110 -10.247 11.337 1.00 0.00 N ATOM 0 H ARG A 49 -2.803 -6.878 9.530 1.00 0.00 H new ATOM 0 HA ARG A 49 -0.123 -7.548 9.196 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -2.609 -9.330 9.203 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -0.972 -9.904 9.450 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -0.786 -8.606 11.543 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -2.362 -7.888 11.277 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -1.806 -10.856 11.762 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -2.497 -9.739 12.922 1.00 0.00 H new ATOM 0 HE ARG A 49 -3.851 -10.824 10.484 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -4.102 -8.906 13.472 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -5.868 -8.905 13.442 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -6.107 -10.794 10.476 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -6.995 -9.965 11.759 1.00 0.00 H new ATOM 778 N GLU A 50 -1.991 -8.395 6.569 1.00 0.00 N ATOM 779 CA GLU A 50 -1.975 -8.751 5.134 1.00 0.00 C ATOM 780 C GLU A 50 -1.286 -7.657 4.310 1.00 0.00 C ATOM 781 O GLU A 50 -0.456 -7.964 3.428 1.00 0.00 O ATOM 782 CB GLU A 50 -3.423 -8.969 4.624 1.00 0.00 C ATOM 783 CG GLU A 50 -3.558 -9.150 3.099 1.00 0.00 C ATOM 784 CD GLU A 50 -4.997 -9.455 2.665 1.00 0.00 C ATOM 785 OE1 GLU A 50 -5.843 -8.549 2.715 1.00 0.00 O ATOM 786 OE2 GLU A 50 -5.297 -10.615 2.322 1.00 0.00 O ATOM 0 H GLU A 50 -2.930 -8.277 6.949 1.00 0.00 H new ATOM 0 HA GLU A 50 -1.412 -9.677 5.016 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -3.837 -9.849 5.117 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -4.031 -8.117 4.929 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -3.216 -8.244 2.598 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -2.905 -9.960 2.774 1.00 0.00 H new ATOM 793 N LEU A 51 -1.637 -6.389 4.624 1.00 0.00 N ATOM 794 CA LEU A 51 -1.089 -5.201 3.947 1.00 0.00 C ATOM 795 C LEU A 51 0.439 -5.207 3.999 1.00 0.00 C ATOM 796 O LEU A 51 1.071 -5.093 2.962 1.00 0.00 O ATOM 797 CB LEU A 51 -1.627 -3.892 4.586 1.00 0.00 C ATOM 798 CG LEU A 51 -3.174 -3.731 4.611 1.00 0.00 C ATOM 799 CD1 LEU A 51 -3.581 -2.479 5.380 1.00 0.00 C ATOM 800 CD2 LEU A 51 -3.782 -3.718 3.201 1.00 0.00 C ATOM 0 H LEU A 51 -2.310 -6.165 5.357 1.00 0.00 H new ATOM 0 HA LEU A 51 -1.412 -5.238 2.907 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -1.259 -3.833 5.610 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -1.202 -3.046 4.046 1.00 0.00 H new ATOM 0 HG LEU A 51 -3.573 -4.604 5.128 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -4.667 -2.390 5.382 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -3.221 -2.549 6.406 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -3.146 -1.601 4.902 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -4.864 -3.604 3.272 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -3.366 -2.886 2.633 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -3.549 -4.655 2.696 1.00 0.00 H new ATOM 812 N ASN A 52 1.002 -5.392 5.221 1.00 0.00 N ATOM 813 CA ASN A 52 2.463 -5.427 5.459 1.00 0.00 C ATOM 814 C ASN A 52 3.184 -6.408 4.520 1.00 0.00 C ATOM 815 O ASN A 52 4.091 -5.994 3.790 1.00 0.00 O ATOM 816 CB ASN A 52 2.793 -5.765 6.946 1.00 0.00 C ATOM 817 CG ASN A 52 2.570 -4.578 7.895 1.00 0.00 C ATOM 818 OD1 ASN A 52 1.495 -4.401 8.457 1.00 0.00 O ATOM 819 ND2 ASN A 52 3.599 -3.758 8.088 1.00 0.00 N ATOM 0 H ASN A 52 0.451 -5.521 6.070 1.00 0.00 H new ATOM 0 HA ASN A 52 2.832 -4.425 5.240 1.00 0.00 H new ATOM 0 HB2 ASN A 52 2.174 -6.602 7.269 1.00 0.00 H new ATOM 0 HB3 ASN A 52 3.831 -6.090 7.017 1.00 0.00 H new ATOM 0 HD21 ASN A 52 3.504 -2.960 8.716 1.00 0.00 H new ATOM 0 HD22 ASN A 52 4.483 -3.927 7.608 1.00 0.00 H new ATOM 826 N GLN A 53 2.743 -7.689 4.503 1.00 0.00 N ATOM 827 CA GLN A 53 3.354 -8.730 3.643 1.00 0.00 C ATOM 828 C GLN A 53 3.406 -8.296 2.158 1.00 0.00 C ATOM 829 O GLN A 53 4.447 -8.434 1.505 1.00 0.00 O ATOM 830 CB GLN A 53 2.635 -10.110 3.780 1.00 0.00 C ATOM 831 CG GLN A 53 3.019 -10.940 5.032 1.00 0.00 C ATOM 832 CD GLN A 53 2.432 -10.416 6.342 1.00 0.00 C ATOM 833 OE1 GLN A 53 3.024 -9.573 7.017 1.00 0.00 O ATOM 834 NE2 GLN A 53 1.273 -10.935 6.729 1.00 0.00 N ATOM 0 H GLN A 53 1.968 -8.025 5.074 1.00 0.00 H new ATOM 0 HA GLN A 53 4.377 -8.851 3.998 1.00 0.00 H new ATOM 0 HB2 GLN A 53 1.559 -9.940 3.794 1.00 0.00 H new ATOM 0 HB3 GLN A 53 2.852 -10.703 2.892 1.00 0.00 H new ATOM 0 HG2 GLN A 53 2.689 -11.969 4.886 1.00 0.00 H new ATOM 0 HG3 GLN A 53 4.105 -10.963 5.118 1.00 0.00 H new ATOM 0 HE21 GLN A 53 0.807 -11.632 6.148 1.00 0.00 H new ATOM 0 HE22 GLN A 53 0.849 -10.637 7.607 1.00 0.00 H new ATOM 843 N VAL A 54 2.293 -7.729 1.655 1.00 0.00 N ATOM 844 CA VAL A 54 2.198 -7.250 0.266 1.00 0.00 C ATOM 845 C VAL A 54 3.147 -6.044 0.033 1.00 0.00 C ATOM 846 O VAL A 54 3.966 -6.078 -0.883 1.00 0.00 O ATOM 847 CB VAL A 54 0.707 -6.880 -0.096 1.00 0.00 C ATOM 848 CG1 VAL A 54 0.579 -6.300 -1.517 1.00 0.00 C ATOM 849 CG2 VAL A 54 -0.220 -8.109 0.076 1.00 0.00 C ATOM 0 H VAL A 54 1.440 -7.591 2.197 1.00 0.00 H new ATOM 0 HA VAL A 54 2.514 -8.056 -0.396 1.00 0.00 H new ATOM 0 HB VAL A 54 0.393 -6.102 0.600 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -0.465 -6.061 -1.720 1.00 0.00 H new ATOM 0 HG12 VAL A 54 1.181 -5.394 -1.596 1.00 0.00 H new ATOM 0 HG13 VAL A 54 0.931 -7.034 -2.242 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -1.243 -7.832 -0.179 1.00 0.00 H new ATOM 0 HG22 VAL A 54 0.113 -8.911 -0.583 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -0.184 -8.450 1.111 1.00 0.00 H new ATOM 859 N LEU A 55 3.055 -5.024 0.918 1.00 0.00 N ATOM 860 CA LEU A 55 3.816 -3.746 0.847 1.00 0.00 C ATOM 861 C LEU A 55 5.323 -3.914 0.615 1.00 0.00 C ATOM 862 O LEU A 55 5.882 -3.252 -0.270 1.00 0.00 O ATOM 863 CB LEU A 55 3.587 -2.929 2.153 1.00 0.00 C ATOM 864 CG LEU A 55 2.198 -2.230 2.290 1.00 0.00 C ATOM 865 CD1 LEU A 55 1.968 -1.729 3.729 1.00 0.00 C ATOM 866 CD2 LEU A 55 2.066 -1.075 1.270 1.00 0.00 C ATOM 0 H LEU A 55 2.433 -5.065 1.725 1.00 0.00 H new ATOM 0 HA LEU A 55 3.431 -3.220 -0.026 1.00 0.00 H new ATOM 0 HB2 LEU A 55 3.720 -3.597 3.004 1.00 0.00 H new ATOM 0 HB3 LEU A 55 4.363 -2.167 2.222 1.00 0.00 H new ATOM 0 HG LEU A 55 1.425 -2.966 2.070 1.00 0.00 H new ATOM 0 HD11 LEU A 55 0.993 -1.246 3.795 1.00 0.00 H new ATOM 0 HD12 LEU A 55 2.003 -2.573 4.418 1.00 0.00 H new ATOM 0 HD13 LEU A 55 2.746 -1.013 3.994 1.00 0.00 H new ATOM 0 HD21 LEU A 55 1.091 -0.601 1.382 1.00 0.00 H new ATOM 0 HD22 LEU A 55 2.850 -0.339 1.450 1.00 0.00 H new ATOM 0 HD23 LEU A 55 2.164 -1.470 0.259 1.00 0.00 H new ATOM 878 N TYR A 56 5.989 -4.781 1.405 1.00 0.00 N ATOM 879 CA TYR A 56 7.448 -4.973 1.315 1.00 0.00 C ATOM 880 C TYR A 56 7.843 -5.672 0.002 1.00 0.00 C ATOM 881 O TYR A 56 8.936 -5.428 -0.526 1.00 0.00 O ATOM 882 CB TYR A 56 7.965 -5.771 2.544 1.00 0.00 C ATOM 883 CG TYR A 56 7.771 -5.045 3.898 1.00 0.00 C ATOM 884 CD1 TYR A 56 8.546 -3.933 4.247 1.00 0.00 C ATOM 885 CD2 TYR A 56 6.805 -5.462 4.816 1.00 0.00 C ATOM 886 CE1 TYR A 56 8.355 -3.272 5.449 1.00 0.00 C ATOM 887 CE2 TYR A 56 6.612 -4.798 6.013 1.00 0.00 C ATOM 888 CZ TYR A 56 7.392 -3.712 6.324 1.00 0.00 C ATOM 889 OH TYR A 56 7.208 -3.050 7.514 1.00 0.00 O ATOM 0 H TYR A 56 5.537 -5.359 2.113 1.00 0.00 H new ATOM 0 HA TYR A 56 7.918 -3.990 1.316 1.00 0.00 H new ATOM 0 HB2 TYR A 56 7.451 -6.731 2.582 1.00 0.00 H new ATOM 0 HB3 TYR A 56 9.025 -5.982 2.406 1.00 0.00 H new ATOM 0 HD1 TYR A 56 9.308 -3.584 3.566 1.00 0.00 H new ATOM 0 HD2 TYR A 56 6.195 -6.323 4.586 1.00 0.00 H new ATOM 0 HE1 TYR A 56 8.961 -2.413 5.697 1.00 0.00 H new ATOM 0 HE2 TYR A 56 5.850 -5.133 6.701 1.00 0.00 H new ATOM 0 HH TYR A 56 6.490 -3.482 8.021 1.00 0.00 H new ATOM 899 N ARG A 57 6.934 -6.516 -0.534 1.00 0.00 N ATOM 900 CA ARG A 57 7.126 -7.153 -1.850 1.00 0.00 C ATOM 901 C ARG A 57 7.066 -6.078 -2.952 1.00 0.00 C ATOM 902 O ARG A 57 7.925 -6.038 -3.834 1.00 0.00 O ATOM 903 CB ARG A 57 6.034 -8.222 -2.124 1.00 0.00 C ATOM 904 CG ARG A 57 6.128 -8.853 -3.535 1.00 0.00 C ATOM 905 CD ARG A 57 4.894 -9.671 -3.940 1.00 0.00 C ATOM 906 NE ARG A 57 4.888 -9.922 -5.391 1.00 0.00 N ATOM 907 CZ ARG A 57 4.006 -10.672 -6.057 1.00 0.00 C ATOM 908 NH1 ARG A 57 3.015 -11.294 -5.426 1.00 0.00 N ATOM 909 NH2 ARG A 57 4.127 -10.781 -7.374 1.00 0.00 N ATOM 0 H ARG A 57 6.060 -6.770 -0.073 1.00 0.00 H new ATOM 0 HA ARG A 57 8.099 -7.645 -1.851 1.00 0.00 H new ATOM 0 HB2 ARG A 57 6.113 -9.011 -1.376 1.00 0.00 H new ATOM 0 HB3 ARG A 57 5.052 -7.766 -2.003 1.00 0.00 H new ATOM 0 HG2 ARG A 57 6.280 -8.059 -4.267 1.00 0.00 H new ATOM 0 HG3 ARG A 57 7.007 -9.497 -3.575 1.00 0.00 H new ATOM 0 HD2 ARG A 57 4.888 -10.619 -3.402 1.00 0.00 H new ATOM 0 HD3 ARG A 57 3.988 -9.137 -3.655 1.00 0.00 H new ATOM 0 HE ARG A 57 5.627 -9.482 -5.939 1.00 0.00 H new ATOM 0 HH11 ARG A 57 2.918 -11.203 -4.415 1.00 0.00 H new ATOM 0 HH12 ARG A 57 2.352 -11.862 -5.953 1.00 0.00 H new ATOM 0 HH21 ARG A 57 4.883 -10.297 -7.858 1.00 0.00 H new ATOM 0 HH22 ARG A 57 3.464 -11.349 -7.902 1.00 0.00 H new ATOM 923 N MET A 58 6.031 -5.220 -2.871 1.00 0.00 N ATOM 924 CA MET A 58 5.799 -4.118 -3.824 1.00 0.00 C ATOM 925 C MET A 58 6.980 -3.132 -3.822 1.00 0.00 C ATOM 926 O MET A 58 7.302 -2.553 -4.853 1.00 0.00 O ATOM 927 CB MET A 58 4.489 -3.369 -3.460 1.00 0.00 C ATOM 928 CG MET A 58 3.243 -4.250 -3.375 1.00 0.00 C ATOM 929 SD MET A 58 1.853 -3.413 -2.564 1.00 0.00 S ATOM 930 CE MET A 58 1.375 -2.185 -3.771 1.00 0.00 C ATOM 0 H MET A 58 5.326 -5.273 -2.136 1.00 0.00 H new ATOM 0 HA MET A 58 5.707 -4.544 -4.823 1.00 0.00 H new ATOM 0 HB2 MET A 58 4.628 -2.869 -2.501 1.00 0.00 H new ATOM 0 HB3 MET A 58 4.315 -2.590 -4.203 1.00 0.00 H new ATOM 0 HG2 MET A 58 2.946 -4.551 -4.380 1.00 0.00 H new ATOM 0 HG3 MET A 58 3.483 -5.161 -2.828 1.00 0.00 H new ATOM 0 HE1 MET A 58 1.143 -1.248 -3.265 1.00 0.00 H new ATOM 0 HE2 MET A 58 2.194 -2.026 -4.472 1.00 0.00 H new ATOM 0 HE3 MET A 58 0.496 -2.531 -4.314 1.00 0.00 H new ATOM 940 N LYS A 59 7.604 -2.942 -2.641 1.00 0.00 N ATOM 941 CA LYS A 59 8.789 -2.078 -2.469 1.00 0.00 C ATOM 942 C LYS A 59 9.991 -2.637 -3.249 1.00 0.00 C ATOM 943 O LYS A 59 10.717 -1.875 -3.902 1.00 0.00 O ATOM 944 CB LYS A 59 9.122 -1.943 -0.962 1.00 0.00 C ATOM 945 CG LYS A 59 10.352 -1.070 -0.638 1.00 0.00 C ATOM 946 CD LYS A 59 10.645 -1.006 0.879 1.00 0.00 C ATOM 947 CE LYS A 59 11.945 -0.260 1.197 1.00 0.00 C ATOM 948 NZ LYS A 59 13.132 -0.924 0.603 1.00 0.00 N ATOM 0 H LYS A 59 7.298 -3.386 -1.776 1.00 0.00 H new ATOM 0 HA LYS A 59 8.566 -1.089 -2.870 1.00 0.00 H new ATOM 0 HB2 LYS A 59 8.255 -1.525 -0.450 1.00 0.00 H new ATOM 0 HB3 LYS A 59 9.285 -2.939 -0.551 1.00 0.00 H new ATOM 0 HG2 LYS A 59 11.224 -1.468 -1.157 1.00 0.00 H new ATOM 0 HG3 LYS A 59 10.188 -0.061 -1.017 1.00 0.00 H new ATOM 0 HD2 LYS A 59 9.815 -0.514 1.385 1.00 0.00 H new ATOM 0 HD3 LYS A 59 10.705 -2.019 1.277 1.00 0.00 H new ATOM 0 HE2 LYS A 59 11.877 0.761 0.822 1.00 0.00 H new ATOM 0 HE3 LYS A 59 12.070 -0.195 2.278 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 13.998 -0.523 1.017 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 13.094 -1.944 0.800 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 13.137 -0.770 -0.426 1.00 0.00 H new ATOM 962 N LYS A 60 10.178 -3.971 -3.176 1.00 0.00 N ATOM 963 CA LYS A 60 11.182 -4.705 -3.977 1.00 0.00 C ATOM 964 C LYS A 60 10.910 -4.519 -5.480 1.00 0.00 C ATOM 965 O LYS A 60 11.824 -4.273 -6.267 1.00 0.00 O ATOM 966 CB LYS A 60 11.129 -6.218 -3.607 1.00 0.00 C ATOM 967 CG LYS A 60 11.962 -7.165 -4.518 1.00 0.00 C ATOM 968 CD LYS A 60 11.648 -8.665 -4.276 1.00 0.00 C ATOM 969 CE LYS A 60 10.162 -9.012 -4.510 1.00 0.00 C ATOM 970 NZ LYS A 60 9.878 -10.454 -4.272 1.00 0.00 N ATOM 0 H LYS A 60 9.635 -4.573 -2.557 1.00 0.00 H new ATOM 0 HA LYS A 60 12.174 -4.311 -3.756 1.00 0.00 H new ATOM 0 HB2 LYS A 60 11.475 -6.334 -2.580 1.00 0.00 H new ATOM 0 HB3 LYS A 60 10.089 -6.543 -3.631 1.00 0.00 H new ATOM 0 HG2 LYS A 60 11.766 -6.922 -5.562 1.00 0.00 H new ATOM 0 HG3 LYS A 60 13.023 -6.988 -4.343 1.00 0.00 H new ATOM 0 HD2 LYS A 60 12.266 -9.272 -4.937 1.00 0.00 H new ATOM 0 HD3 LYS A 60 11.921 -8.928 -3.254 1.00 0.00 H new ATOM 0 HE2 LYS A 60 9.541 -8.407 -3.849 1.00 0.00 H new ATOM 0 HE3 LYS A 60 9.887 -8.753 -5.532 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 8.869 -10.642 -4.441 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 10.451 -11.032 -4.920 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 10.116 -10.697 -3.289 1.00 0.00 H new ATOM 984 N GLU A 61 9.623 -4.631 -5.854 1.00 0.00 N ATOM 985 CA GLU A 61 9.160 -4.501 -7.248 1.00 0.00 C ATOM 986 C GLU A 61 9.067 -3.017 -7.678 1.00 0.00 C ATOM 987 O GLU A 61 8.685 -2.729 -8.815 1.00 0.00 O ATOM 988 CB GLU A 61 7.785 -5.199 -7.393 1.00 0.00 C ATOM 989 CG GLU A 61 7.779 -6.693 -7.006 1.00 0.00 C ATOM 990 CD GLU A 61 6.368 -7.311 -6.995 1.00 0.00 C ATOM 991 OE1 GLU A 61 5.526 -6.873 -6.187 1.00 0.00 O ATOM 992 OE2 GLU A 61 6.088 -8.233 -7.797 1.00 0.00 O ATOM 0 H GLU A 61 8.869 -4.816 -5.193 1.00 0.00 H new ATOM 0 HA GLU A 61 9.885 -4.981 -7.905 1.00 0.00 H new ATOM 0 HB2 GLU A 61 7.058 -4.674 -6.773 1.00 0.00 H new ATOM 0 HB3 GLU A 61 7.451 -5.103 -8.426 1.00 0.00 H new ATOM 0 HG2 GLU A 61 8.405 -7.246 -7.706 1.00 0.00 H new ATOM 0 HG3 GLU A 61 8.227 -6.808 -6.019 1.00 0.00 H new ATOM 999 N LEU A 62 9.387 -2.092 -6.733 1.00 0.00 N ATOM 1000 CA LEU A 62 9.410 -0.621 -6.943 1.00 0.00 C ATOM 1001 C LEU A 62 8.008 -0.055 -7.300 1.00 0.00 C ATOM 1002 O LEU A 62 7.886 1.091 -7.750 1.00 0.00 O ATOM 1003 CB LEU A 62 10.499 -0.222 -7.989 1.00 0.00 C ATOM 1004 CG LEU A 62 11.963 -0.689 -7.664 1.00 0.00 C ATOM 1005 CD1 LEU A 62 12.953 -0.298 -8.789 1.00 0.00 C ATOM 1006 CD2 LEU A 62 12.439 -0.151 -6.291 1.00 0.00 C ATOM 0 H LEU A 62 9.642 -2.357 -5.782 1.00 0.00 H new ATOM 0 HA LEU A 62 9.686 -0.159 -5.995 1.00 0.00 H new ATOM 0 HB2 LEU A 62 10.213 -0.633 -8.957 1.00 0.00 H new ATOM 0 HB3 LEU A 62 10.498 0.863 -8.090 1.00 0.00 H new ATOM 0 HG LEU A 62 11.946 -1.777 -7.607 1.00 0.00 H new ATOM 0 HD11 LEU A 62 13.955 -0.638 -8.527 1.00 0.00 H new ATOM 0 HD12 LEU A 62 12.644 -0.765 -9.724 1.00 0.00 H new ATOM 0 HD13 LEU A 62 12.958 0.785 -8.909 1.00 0.00 H new ATOM 0 HD21 LEU A 62 13.456 -0.494 -6.099 1.00 0.00 H new ATOM 0 HD22 LEU A 62 12.419 0.939 -6.300 1.00 0.00 H new ATOM 0 HD23 LEU A 62 11.778 -0.519 -5.507 1.00 0.00 H new ATOM 1018 N LYS A 63 6.963 -0.868 -7.048 1.00 0.00 N ATOM 1019 CA LYS A 63 5.550 -0.478 -7.182 1.00 0.00 C ATOM 1020 C LYS A 63 5.193 0.560 -6.114 1.00 0.00 C ATOM 1021 O LYS A 63 4.379 1.451 -6.358 1.00 0.00 O ATOM 1022 CB LYS A 63 4.637 -1.725 -7.041 1.00 0.00 C ATOM 1023 CG LYS A 63 4.896 -2.819 -8.094 1.00 0.00 C ATOM 1024 CD LYS A 63 4.054 -4.094 -7.867 1.00 0.00 C ATOM 1025 CE LYS A 63 4.302 -5.164 -8.949 1.00 0.00 C ATOM 1026 NZ LYS A 63 3.706 -6.479 -8.588 1.00 0.00 N ATOM 0 H LYS A 63 7.083 -1.833 -6.740 1.00 0.00 H new ATOM 0 HA LYS A 63 5.395 -0.040 -8.168 1.00 0.00 H new ATOM 0 HB2 LYS A 63 4.775 -2.152 -6.048 1.00 0.00 H new ATOM 0 HB3 LYS A 63 3.596 -1.409 -7.110 1.00 0.00 H new ATOM 0 HG2 LYS A 63 4.679 -2.419 -9.085 1.00 0.00 H new ATOM 0 HG3 LYS A 63 5.954 -3.083 -8.082 1.00 0.00 H new ATOM 0 HD2 LYS A 63 4.288 -4.511 -6.888 1.00 0.00 H new ATOM 0 HD3 LYS A 63 2.996 -3.830 -7.857 1.00 0.00 H new ATOM 0 HE2 LYS A 63 3.882 -4.825 -9.896 1.00 0.00 H new ATOM 0 HE3 LYS A 63 5.375 -5.283 -9.101 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 4.011 -7.199 -9.274 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 4.021 -6.753 -7.636 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 2.669 -6.405 -8.602 1.00 0.00 H new ATOM 1040 N VAL A 64 5.830 0.435 -4.934 1.00 0.00 N ATOM 1041 CA VAL A 64 5.715 1.422 -3.844 1.00 0.00 C ATOM 1042 C VAL A 64 7.117 1.823 -3.368 1.00 0.00 C ATOM 1043 O VAL A 64 8.122 1.196 -3.734 1.00 0.00 O ATOM 1044 CB VAL A 64 4.872 0.907 -2.612 1.00 0.00 C ATOM 1045 CG1 VAL A 64 3.449 0.523 -3.034 1.00 0.00 C ATOM 1046 CG2 VAL A 64 5.568 -0.261 -1.883 1.00 0.00 C ATOM 0 H VAL A 64 6.438 -0.353 -4.710 1.00 0.00 H new ATOM 0 HA VAL A 64 5.180 2.279 -4.254 1.00 0.00 H new ATOM 0 HB VAL A 64 4.803 1.734 -1.905 1.00 0.00 H new ATOM 0 HG11 VAL A 64 2.894 0.172 -2.164 1.00 0.00 H new ATOM 0 HG12 VAL A 64 2.948 1.393 -3.458 1.00 0.00 H new ATOM 0 HG13 VAL A 64 3.492 -0.270 -3.781 1.00 0.00 H new ATOM 0 HG21 VAL A 64 4.953 -0.583 -1.043 1.00 0.00 H new ATOM 0 HG22 VAL A 64 5.703 -1.093 -2.574 1.00 0.00 H new ATOM 0 HG23 VAL A 64 6.541 0.067 -1.516 1.00 0.00 H new ATOM 1056 N SER A 65 7.160 2.867 -2.541 1.00 0.00 N ATOM 1057 CA SER A 65 8.383 3.368 -1.916 1.00 0.00 C ATOM 1058 C SER A 65 8.080 3.612 -0.431 1.00 0.00 C ATOM 1059 O SER A 65 6.949 3.959 -0.088 1.00 0.00 O ATOM 1060 CB SER A 65 8.820 4.674 -2.625 1.00 0.00 C ATOM 1061 OG SER A 65 10.094 5.102 -2.182 1.00 0.00 O ATOM 0 H SER A 65 6.329 3.399 -2.282 1.00 0.00 H new ATOM 0 HA SER A 65 9.200 2.652 -2.005 1.00 0.00 H new ATOM 0 HB2 SER A 65 8.843 4.514 -3.703 1.00 0.00 H new ATOM 0 HB3 SER A 65 8.085 5.456 -2.434 1.00 0.00 H new ATOM 0 HG SER A 65 10.342 5.927 -2.649 1.00 0.00 H new ATOM 1067 N LEU A 66 9.065 3.422 0.453 1.00 0.00 N ATOM 1068 CA LEU A 66 8.892 3.654 1.899 1.00 0.00 C ATOM 1069 C LEU A 66 9.507 5.021 2.229 1.00 0.00 C ATOM 1070 O LEU A 66 10.732 5.173 2.216 1.00 0.00 O ATOM 1071 CB LEU A 66 9.567 2.510 2.702 1.00 0.00 C ATOM 1072 CG LEU A 66 9.442 2.584 4.257 1.00 0.00 C ATOM 1073 CD1 LEU A 66 7.967 2.485 4.719 1.00 0.00 C ATOM 1074 CD2 LEU A 66 10.320 1.499 4.933 1.00 0.00 C ATOM 0 H LEU A 66 9.999 3.106 0.194 1.00 0.00 H new ATOM 0 HA LEU A 66 7.837 3.658 2.174 1.00 0.00 H new ATOM 0 HB2 LEU A 66 9.142 1.563 2.370 1.00 0.00 H new ATOM 0 HB3 LEU A 66 10.626 2.491 2.445 1.00 0.00 H new ATOM 0 HG LEU A 66 9.811 3.560 4.572 1.00 0.00 H new ATOM 0 HD11 LEU A 66 7.922 2.540 5.807 1.00 0.00 H new ATOM 0 HD12 LEU A 66 7.395 3.308 4.290 1.00 0.00 H new ATOM 0 HD13 LEU A 66 7.544 1.537 4.386 1.00 0.00 H new ATOM 0 HD21 LEU A 66 10.217 1.570 6.016 1.00 0.00 H new ATOM 0 HD22 LEU A 66 9.998 0.512 4.602 1.00 0.00 H new ATOM 0 HD23 LEU A 66 11.363 1.652 4.657 1.00 0.00 H new ATOM 1086 N THR A 67 8.653 6.023 2.479 1.00 0.00 N ATOM 1087 CA THR A 67 9.071 7.430 2.658 1.00 0.00 C ATOM 1088 C THR A 67 9.294 7.776 4.145 1.00 0.00 C ATOM 1089 O THR A 67 10.177 8.567 4.482 1.00 0.00 O ATOM 1090 CB THR A 67 7.997 8.374 2.036 1.00 0.00 C ATOM 1091 OG1 THR A 67 6.700 8.038 2.564 1.00 0.00 O ATOM 1092 CG2 THR A 67 7.957 8.265 0.500 1.00 0.00 C ATOM 0 H THR A 67 7.646 5.885 2.564 1.00 0.00 H new ATOM 0 HA THR A 67 10.023 7.570 2.147 1.00 0.00 H new ATOM 0 HB THR A 67 8.265 9.398 2.297 1.00 0.00 H new ATOM 0 HG1 THR A 67 6.258 8.851 2.887 1.00 0.00 H new ATOM 0 HG21 THR A 67 7.196 8.939 0.107 1.00 0.00 H new ATOM 0 HG22 THR A 67 8.929 8.538 0.090 1.00 0.00 H new ATOM 0 HG23 THR A 67 7.718 7.241 0.214 1.00 0.00 H new ATOM 1100 N SER A 68 8.490 7.169 5.014 1.00 0.00 N ATOM 1101 CA SER A 68 8.531 7.372 6.477 1.00 0.00 C ATOM 1102 C SER A 68 8.286 5.991 7.138 1.00 0.00 C ATOM 1103 O SER A 68 7.705 5.142 6.465 1.00 0.00 O ATOM 1104 CB SER A 68 7.444 8.421 6.852 1.00 0.00 C ATOM 1105 OG SER A 68 7.388 8.700 8.248 1.00 0.00 O ATOM 0 H SER A 68 7.772 6.505 4.724 1.00 0.00 H new ATOM 0 HA SER A 68 9.489 7.756 6.827 1.00 0.00 H new ATOM 0 HB2 SER A 68 7.640 9.347 6.311 1.00 0.00 H new ATOM 0 HB3 SER A 68 6.470 8.059 6.521 1.00 0.00 H new ATOM 0 HG SER A 68 6.690 9.365 8.421 1.00 0.00 H new ATOM 1111 N PRO A 69 8.765 5.725 8.420 1.00 0.00 N ATOM 1112 CA PRO A 69 8.647 4.417 9.141 1.00 0.00 C ATOM 1113 C PRO A 69 7.523 3.456 8.657 1.00 0.00 C ATOM 1114 O PRO A 69 7.822 2.399 8.087 1.00 0.00 O ATOM 1115 CB PRO A 69 8.428 4.895 10.594 1.00 0.00 C ATOM 1116 CG PRO A 69 9.236 6.173 10.714 1.00 0.00 C ATOM 1117 CD PRO A 69 9.517 6.670 9.294 1.00 0.00 C ATOM 0 HA PRO A 69 9.522 3.788 8.976 1.00 0.00 H new ATOM 0 HB2 PRO A 69 7.372 5.076 10.795 1.00 0.00 H new ATOM 0 HB3 PRO A 69 8.765 4.146 11.311 1.00 0.00 H new ATOM 0 HG2 PRO A 69 8.686 6.923 11.282 1.00 0.00 H new ATOM 0 HG3 PRO A 69 10.168 5.989 11.248 1.00 0.00 H new ATOM 0 HD2 PRO A 69 9.176 7.696 9.157 1.00 0.00 H new ATOM 0 HD3 PRO A 69 10.584 6.656 9.071 1.00 0.00 H new ATOM 1125 N ALA A 70 6.236 3.824 8.859 1.00 0.00 N ATOM 1126 CA ALA A 70 5.093 3.063 8.313 1.00 0.00 C ATOM 1127 C ALA A 70 4.211 3.969 7.435 1.00 0.00 C ATOM 1128 O ALA A 70 3.004 4.095 7.649 1.00 0.00 O ATOM 1129 CB ALA A 70 4.284 2.412 9.456 1.00 0.00 C ATOM 0 H ALA A 70 5.965 4.646 9.398 1.00 0.00 H new ATOM 0 HA ALA A 70 5.473 2.262 7.679 1.00 0.00 H new ATOM 0 HB1 ALA A 70 3.446 1.855 9.037 1.00 0.00 H new ATOM 0 HB2 ALA A 70 4.927 1.733 10.016 1.00 0.00 H new ATOM 0 HB3 ALA A 70 3.907 3.188 10.123 1.00 0.00 H new ATOM 1135 N THR A 71 4.853 4.657 6.478 1.00 0.00 N ATOM 1136 CA THR A 71 4.168 5.439 5.438 1.00 0.00 C ATOM 1137 C THR A 71 4.762 5.097 4.063 1.00 0.00 C ATOM 1138 O THR A 71 5.987 5.169 3.868 1.00 0.00 O ATOM 1139 CB THR A 71 4.287 6.969 5.696 1.00 0.00 C ATOM 1140 OG1 THR A 71 3.766 7.289 6.999 1.00 0.00 O ATOM 1141 CG2 THR A 71 3.544 7.798 4.639 1.00 0.00 C ATOM 0 H THR A 71 5.870 4.686 6.404 1.00 0.00 H new ATOM 0 HA THR A 71 3.110 5.178 5.463 1.00 0.00 H new ATOM 0 HB THR A 71 5.346 7.222 5.638 1.00 0.00 H new ATOM 0 HG1 THR A 71 3.846 8.253 7.155 1.00 0.00 H new ATOM 0 HG21 THR A 71 3.657 8.859 4.863 1.00 0.00 H new ATOM 0 HG22 THR A 71 3.961 7.589 3.654 1.00 0.00 H new ATOM 0 HG23 THR A 71 2.486 7.536 4.649 1.00 0.00 H new ATOM 1149 N TRP A 72 3.883 4.760 3.112 1.00 0.00 N ATOM 1150 CA TRP A 72 4.267 4.292 1.773 1.00 0.00 C ATOM 1151 C TRP A 72 3.750 5.274 0.714 1.00 0.00 C ATOM 1152 O TRP A 72 2.664 5.820 0.862 1.00 0.00 O ATOM 1153 CB TRP A 72 3.668 2.883 1.537 1.00 0.00 C ATOM 1154 CG TRP A 72 4.115 1.864 2.561 1.00 0.00 C ATOM 1155 CD1 TRP A 72 3.565 1.622 3.793 1.00 0.00 C ATOM 1156 CD2 TRP A 72 5.217 0.963 2.437 1.00 0.00 C ATOM 1157 NE1 TRP A 72 4.261 0.623 4.428 1.00 0.00 N ATOM 1158 CE2 TRP A 72 5.274 0.200 3.611 1.00 0.00 C ATOM 1159 CE3 TRP A 72 6.156 0.732 1.437 1.00 0.00 C ATOM 1160 CZ2 TRP A 72 6.232 -0.786 3.807 1.00 0.00 C ATOM 1161 CZ3 TRP A 72 7.105 -0.241 1.632 1.00 0.00 C ATOM 1162 CH2 TRP A 72 7.141 -0.990 2.808 1.00 0.00 C ATOM 0 H TRP A 72 2.874 4.805 3.251 1.00 0.00 H new ATOM 0 HA TRP A 72 5.353 4.238 1.697 1.00 0.00 H new ATOM 0 HB2 TRP A 72 2.580 2.951 1.553 1.00 0.00 H new ATOM 0 HB3 TRP A 72 3.951 2.537 0.543 1.00 0.00 H new ATOM 0 HD1 TRP A 72 2.711 2.140 4.203 1.00 0.00 H new ATOM 0 HE1 TRP A 72 4.056 0.256 5.357 1.00 0.00 H new ATOM 0 HE3 TRP A 72 6.139 1.308 0.523 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 6.257 -1.370 4.715 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 7.837 -0.430 0.861 1.00 0.00 H new ATOM 0 HH2 TRP A 72 7.902 -1.746 2.931 1.00 0.00 H new ATOM 1173 N CYS A 73 4.542 5.506 -0.336 1.00 0.00 N ATOM 1174 CA CYS A 73 4.138 6.318 -1.499 1.00 0.00 C ATOM 1175 C CYS A 73 4.097 5.443 -2.755 1.00 0.00 C ATOM 1176 O CYS A 73 4.598 4.317 -2.752 1.00 0.00 O ATOM 1177 CB CYS A 73 5.128 7.484 -1.700 1.00 0.00 C ATOM 1178 SG CYS A 73 4.630 8.687 -2.962 1.00 0.00 S ATOM 0 H CYS A 73 5.489 5.135 -0.409 1.00 0.00 H new ATOM 0 HA CYS A 73 3.144 6.727 -1.318 1.00 0.00 H new ATOM 0 HB2 CYS A 73 5.254 8.004 -0.750 1.00 0.00 H new ATOM 0 HB3 CYS A 73 6.101 7.075 -1.971 1.00 0.00 H new ATOM 0 HG CYS A 73 5.528 9.623 -3.048 1.00 0.00 H new ATOM 1184 N LEU A 74 3.479 5.974 -3.815 1.00 0.00 N ATOM 1185 CA LEU A 74 3.433 5.334 -5.138 1.00 0.00 C ATOM 1186 C LEU A 74 4.842 5.345 -5.762 1.00 0.00 C ATOM 1187 O LEU A 74 5.508 6.388 -5.774 1.00 0.00 O ATOM 1188 CB LEU A 74 2.422 6.088 -6.049 1.00 0.00 C ATOM 1189 CG LEU A 74 2.137 5.471 -7.455 1.00 0.00 C ATOM 1190 CD1 LEU A 74 1.432 4.097 -7.349 1.00 0.00 C ATOM 1191 CD2 LEU A 74 1.322 6.461 -8.323 1.00 0.00 C ATOM 0 H LEU A 74 2.991 6.869 -3.780 1.00 0.00 H new ATOM 0 HA LEU A 74 3.103 4.300 -5.037 1.00 0.00 H new ATOM 0 HB2 LEU A 74 1.475 6.164 -5.514 1.00 0.00 H new ATOM 0 HB3 LEU A 74 2.789 7.104 -6.193 1.00 0.00 H new ATOM 0 HG LEU A 74 3.095 5.295 -7.944 1.00 0.00 H new ATOM 0 HD11 LEU A 74 1.252 3.702 -8.349 1.00 0.00 H new ATOM 0 HD12 LEU A 74 2.066 3.405 -6.794 1.00 0.00 H new ATOM 0 HD13 LEU A 74 0.481 4.215 -6.829 1.00 0.00 H new ATOM 0 HD21 LEU A 74 1.131 6.017 -9.300 1.00 0.00 H new ATOM 0 HD22 LEU A 74 0.374 6.679 -7.832 1.00 0.00 H new ATOM 0 HD23 LEU A 74 1.887 7.385 -8.449 1.00 0.00 H new ATOM 1203 N GLY A 75 5.294 4.179 -6.233 1.00 0.00 N ATOM 1204 CA GLY A 75 6.572 4.047 -6.932 1.00 0.00 C ATOM 1205 C GLY A 75 6.509 4.662 -8.326 1.00 0.00 C ATOM 1206 O GLY A 75 6.094 3.994 -9.284 1.00 0.00 O ATOM 0 H GLY A 75 4.783 3.301 -6.140 1.00 0.00 H new ATOM 0 HA2 GLY A 75 7.357 4.533 -6.353 1.00 0.00 H new ATOM 0 HA3 GLY A 75 6.839 2.993 -7.009 1.00 0.00 H new