USER MOD reduce.3.24.130724 H: found=0, std=0, add=524, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 525 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 50 MET CE :methyl -143:sc= -3.14! (180deg=-4.14!) USER MOD Set 1.2: A 66 LYS NZ :NH3+ -164:sc= -0.205 (180deg=-0.0221) USER MOD Set 2.1: A 35 LYS NZ :NH3+ -145:sc= 0.787 (180deg=-1.16!) USER MOD Set 2.2: A 51 SER OG : rot -50:sc= 0.0391 USER MOD Set 3.1: A 19 MET CE :methyl -179:sc= 0 (180deg=-0.000531) USER MOD Set 3.2: A 20 ASN : amide:sc= 0 X(o=0,f=-0.39) USER MOD Single : A 23 MET CE :methyl -166:sc= 0 (180deg=-0.0781) USER MOD Single : A 26 ASN : amide:sc= -0.041 K(o=-0.041,f=-0.56) USER MOD Single : A 27 GLN : amide:sc= -0.0242 X(o=-0.024,f=-0.015) USER MOD Single : A 33 GLN : amide:sc= -0.0349 X(o=-0.035,f=-0.45) USER MOD Single : A 34 TYR OH : rot 130:sc= -0.258 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc= -0.377 K(o=-0.38,f=-2.9!) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 44 HIS : no HD1:sc= -0.187 X(o=-0.19,f=-0.55) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 30:sc= 0 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 8:sc= 0.304 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 THR OG1 : rot -170:sc= 0.00398 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 HIS : no HD1:sc= -2.72! C(o=-2.7!,f=-3.3!) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 GLN : amide:sc= 0 K(o=0,f=-0.72) USER MOD Single : A 81 MET CE :methyl 161:sc= -3.72! (180deg=-4.49!) USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 236 N LEU A 18 -10.282 -11.737 -1.261 1.00 0.00 N ATOM 237 CA LEU A 18 -9.663 -10.954 -0.197 1.00 0.00 C ATOM 238 C LEU A 18 -8.195 -10.680 -0.506 1.00 0.00 C ATOM 239 O LEU A 18 -7.810 -9.545 -0.785 1.00 0.00 O ATOM 240 CB LEU A 18 -9.787 -11.686 1.140 1.00 0.00 C ATOM 241 CG LEU A 18 -11.052 -12.522 1.332 1.00 0.00 C ATOM 242 CD1 LEU A 18 -10.831 -13.945 0.842 1.00 0.00 C ATOM 243 CD2 LEU A 18 -11.476 -12.520 2.794 1.00 0.00 C ATOM 0 HA LEU A 18 -10.185 -10.000 -0.131 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -8.922 -12.340 1.255 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -9.738 -10.949 1.941 1.00 0.00 H new ATOM 0 HG LEU A 18 -11.852 -12.076 0.741 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -11.742 -14.525 0.987 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -10.575 -13.929 -0.217 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -10.017 -14.401 1.405 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -12.378 -13.120 2.912 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -10.678 -12.941 3.405 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -11.676 -11.497 3.113 1.00 0.00 H new ATOM 255 N MET A 19 -7.380 -11.729 -0.456 1.00 0.00 N ATOM 256 CA MET A 19 -5.954 -11.602 -0.734 1.00 0.00 C ATOM 257 C MET A 19 -5.713 -10.691 -1.934 1.00 0.00 C ATOM 258 O MET A 19 -4.687 -10.017 -2.016 1.00 0.00 O ATOM 259 CB MET A 19 -5.339 -12.979 -0.993 1.00 0.00 C ATOM 260 CG MET A 19 -6.010 -13.742 -2.123 1.00 0.00 C ATOM 261 SD MET A 19 -7.407 -14.733 -1.558 1.00 0.00 S ATOM 262 CE MET A 19 -8.601 -14.403 -2.853 1.00 0.00 C ATOM 0 H MET A 19 -7.682 -12.676 -0.226 1.00 0.00 H new ATOM 0 HA MET A 19 -5.477 -11.157 0.139 1.00 0.00 H new ATOM 0 HB2 MET A 19 -4.281 -12.857 -1.226 1.00 0.00 H new ATOM 0 HB3 MET A 19 -5.398 -13.572 -0.080 1.00 0.00 H new ATOM 0 HG2 MET A 19 -6.353 -13.036 -2.880 1.00 0.00 H new ATOM 0 HG3 MET A 19 -5.278 -14.392 -2.602 1.00 0.00 H new ATOM 0 HE1 MET A 19 -9.529 -14.933 -2.636 1.00 0.00 H new ATOM 0 HE2 MET A 19 -8.798 -13.332 -2.902 1.00 0.00 H new ATOM 0 HE3 MET A 19 -8.204 -14.743 -3.809 1.00 0.00 H new ATOM 272 N ASN A 20 -6.664 -10.677 -2.862 1.00 0.00 N ATOM 273 CA ASN A 20 -6.554 -9.849 -4.057 1.00 0.00 C ATOM 274 C ASN A 20 -6.301 -8.391 -3.687 1.00 0.00 C ATOM 275 O ASN A 20 -5.354 -7.773 -4.172 1.00 0.00 O ATOM 276 CB ASN A 20 -7.827 -9.960 -4.898 1.00 0.00 C ATOM 277 CG ASN A 20 -7.755 -11.087 -5.911 1.00 0.00 C ATOM 278 OD1 ASN A 20 -8.004 -12.247 -5.585 1.00 0.00 O ATOM 279 ND2 ASN A 20 -7.411 -10.748 -7.149 1.00 0.00 N ATOM 0 H ASN A 20 -7.520 -11.230 -2.809 1.00 0.00 H new ATOM 0 HA ASN A 20 -5.707 -10.209 -4.642 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -8.681 -10.121 -4.240 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -7.999 -9.018 -5.418 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -7.345 -11.463 -7.874 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -7.213 -9.773 -7.375 1.00 0.00 H new ATOM 286 N ALA A 21 -7.154 -7.848 -2.824 1.00 0.00 N ATOM 287 CA ALA A 21 -7.021 -6.464 -2.387 1.00 0.00 C ATOM 288 C ALA A 21 -5.555 -6.055 -2.297 1.00 0.00 C ATOM 289 O ALA A 21 -5.200 -4.911 -2.583 1.00 0.00 O ATOM 290 CB ALA A 21 -7.709 -6.266 -1.045 1.00 0.00 C ATOM 0 H ALA A 21 -7.944 -8.346 -2.414 1.00 0.00 H new ATOM 0 HA ALA A 21 -7.504 -5.827 -3.128 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -7.602 -5.228 -0.731 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -8.767 -6.509 -1.139 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -7.252 -6.919 -0.302 1.00 0.00 H new ATOM 296 N LEU A 22 -4.706 -6.996 -1.897 1.00 0.00 N ATOM 297 CA LEU A 22 -3.277 -6.733 -1.769 1.00 0.00 C ATOM 298 C LEU A 22 -2.613 -6.651 -3.139 1.00 0.00 C ATOM 299 O LEU A 22 -2.069 -5.613 -3.515 1.00 0.00 O ATOM 300 CB LEU A 22 -2.611 -7.826 -0.931 1.00 0.00 C ATOM 301 CG LEU A 22 -2.714 -7.665 0.586 1.00 0.00 C ATOM 302 CD1 LEU A 22 -2.267 -8.937 1.289 1.00 0.00 C ATOM 303 CD2 LEU A 22 -1.889 -6.476 1.054 1.00 0.00 C ATOM 0 H LEU A 22 -4.983 -7.948 -1.656 1.00 0.00 H new ATOM 0 HA LEU A 22 -3.153 -5.773 -1.268 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -3.051 -8.785 -1.205 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -1.556 -7.871 -1.201 1.00 0.00 H new ATOM 0 HG LEU A 22 -3.757 -7.480 0.842 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -2.347 -8.804 2.368 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -2.901 -9.767 0.978 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -1.232 -9.153 1.026 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -1.975 -6.377 2.136 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -0.844 -6.630 0.785 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -2.256 -5.568 0.577 1.00 0.00 H new ATOM 315 N MET A 23 -2.664 -7.752 -3.882 1.00 0.00 N ATOM 316 CA MET A 23 -2.070 -7.803 -5.213 1.00 0.00 C ATOM 317 C MET A 23 -2.481 -6.588 -6.039 1.00 0.00 C ATOM 318 O MET A 23 -1.660 -5.994 -6.737 1.00 0.00 O ATOM 319 CB MET A 23 -2.487 -9.088 -5.932 1.00 0.00 C ATOM 320 CG MET A 23 -1.930 -10.350 -5.292 1.00 0.00 C ATOM 321 SD MET A 23 -3.025 -11.030 -4.031 1.00 0.00 S ATOM 322 CE MET A 23 -2.129 -12.509 -3.567 1.00 0.00 C ATOM 0 H MET A 23 -3.110 -8.620 -3.585 1.00 0.00 H new ATOM 0 HA MET A 23 -0.986 -7.794 -5.100 1.00 0.00 H new ATOM 0 HB2 MET A 23 -3.575 -9.149 -5.949 1.00 0.00 H new ATOM 0 HB3 MET A 23 -2.154 -9.039 -6.969 1.00 0.00 H new ATOM 0 HG2 MET A 23 -1.761 -11.100 -6.064 1.00 0.00 H new ATOM 0 HG3 MET A 23 -0.961 -10.129 -4.845 1.00 0.00 H new ATOM 0 HE1 MET A 23 -2.781 -13.162 -2.987 1.00 0.00 H new ATOM 0 HE2 MET A 23 -1.798 -13.031 -4.465 1.00 0.00 H new ATOM 0 HE3 MET A 23 -1.262 -12.236 -2.966 1.00 0.00 H new ATOM 332 N ARG A 24 -3.757 -6.226 -5.956 1.00 0.00 N ATOM 333 CA ARG A 24 -4.277 -5.083 -6.697 1.00 0.00 C ATOM 334 C ARG A 24 -3.497 -3.816 -6.359 1.00 0.00 C ATOM 335 O ARG A 24 -2.877 -3.205 -7.231 1.00 0.00 O ATOM 336 CB ARG A 24 -5.761 -4.879 -6.386 1.00 0.00 C ATOM 337 CG ARG A 24 -6.615 -6.107 -6.660 1.00 0.00 C ATOM 338 CD ARG A 24 -7.070 -6.158 -8.110 1.00 0.00 C ATOM 339 NE ARG A 24 -6.069 -6.774 -8.976 1.00 0.00 N ATOM 340 CZ ARG A 24 -6.334 -7.235 -10.193 1.00 0.00 C ATOM 341 NH1 ARG A 24 -7.562 -7.149 -10.686 1.00 0.00 N ATOM 342 NH2 ARG A 24 -5.369 -7.783 -10.921 1.00 0.00 N ATOM 0 H ARG A 24 -4.450 -6.708 -5.383 1.00 0.00 H new ATOM 0 HA ARG A 24 -4.161 -5.288 -7.761 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -5.869 -4.598 -5.338 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -6.137 -4.046 -6.980 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -6.046 -7.007 -6.424 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -7.486 -6.099 -6.004 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -8.002 -6.719 -8.178 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -7.280 -5.147 -8.460 1.00 0.00 H new ATOM 0 HE ARG A 24 -5.114 -6.855 -8.627 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -8.306 -6.728 -10.130 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -7.762 -7.504 -11.621 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -4.423 -7.850 -10.546 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -5.574 -8.137 -11.856 1.00 0.00 H new ATOM 356 N LEU A 25 -3.533 -3.426 -5.090 1.00 0.00 N ATOM 357 CA LEU A 25 -2.830 -2.231 -4.636 1.00 0.00 C ATOM 358 C LEU A 25 -1.424 -2.171 -5.223 1.00 0.00 C ATOM 359 O LEU A 25 -0.916 -1.095 -5.536 1.00 0.00 O ATOM 360 CB LEU A 25 -2.759 -2.206 -3.108 1.00 0.00 C ATOM 361 CG LEU A 25 -2.534 -0.835 -2.469 1.00 0.00 C ATOM 362 CD1 LEU A 25 -3.752 0.054 -2.668 1.00 0.00 C ATOM 363 CD2 LEU A 25 -2.215 -0.983 -0.989 1.00 0.00 C ATOM 0 H LEU A 25 -4.042 -3.920 -4.357 1.00 0.00 H new ATOM 0 HA LEU A 25 -3.386 -1.359 -4.982 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -3.687 -2.620 -2.714 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -1.954 -2.869 -2.791 1.00 0.00 H new ATOM 0 HG LEU A 25 -1.682 -0.363 -2.958 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -3.573 1.025 -2.207 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -3.935 0.187 -3.734 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -4.622 -0.412 -2.206 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -2.058 0.002 -0.550 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -3.046 -1.476 -0.485 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -1.312 -1.582 -0.870 1.00 0.00 H new ATOM 375 N ASN A 26 -0.800 -3.335 -5.372 1.00 0.00 N ATOM 376 CA ASN A 26 0.548 -3.415 -5.923 1.00 0.00 C ATOM 377 C ASN A 26 0.534 -3.179 -7.430 1.00 0.00 C ATOM 378 O ASN A 26 1.359 -2.433 -7.958 1.00 0.00 O ATOM 379 CB ASN A 26 1.167 -4.780 -5.615 1.00 0.00 C ATOM 380 CG ASN A 26 1.858 -4.810 -4.266 1.00 0.00 C ATOM 381 OD1 ASN A 26 2.601 -3.894 -3.915 1.00 0.00 O ATOM 382 ND2 ASN A 26 1.615 -5.869 -3.501 1.00 0.00 N ATOM 0 H ASN A 26 -1.206 -4.236 -5.119 1.00 0.00 H new ATOM 0 HA ASN A 26 1.151 -2.636 -5.457 1.00 0.00 H new ATOM 0 HB2 ASN A 26 0.389 -5.543 -5.638 1.00 0.00 H new ATOM 0 HB3 ASN A 26 1.886 -5.034 -6.394 1.00 0.00 H new ATOM 0 HD21 ASN A 26 2.052 -5.946 -2.582 1.00 0.00 H new ATOM 0 HD22 ASN A 26 0.992 -6.605 -3.832 1.00 0.00 H new ATOM 389 N GLN A 27 -0.408 -3.818 -8.115 1.00 0.00 N ATOM 390 CA GLN A 27 -0.529 -3.677 -9.562 1.00 0.00 C ATOM 391 C GLN A 27 -0.662 -2.210 -9.956 1.00 0.00 C ATOM 392 O GLN A 27 -0.007 -1.747 -10.890 1.00 0.00 O ATOM 393 CB GLN A 27 -1.735 -4.467 -10.073 1.00 0.00 C ATOM 394 CG GLN A 27 -1.412 -5.910 -10.425 1.00 0.00 C ATOM 395 CD GLN A 27 -0.684 -6.040 -11.748 1.00 0.00 C ATOM 396 OE1 GLN A 27 0.482 -6.434 -11.792 1.00 0.00 O ATOM 397 NE2 GLN A 27 -1.369 -5.709 -12.836 1.00 0.00 N ATOM 0 H GLN A 27 -1.099 -4.438 -7.692 1.00 0.00 H new ATOM 0 HA GLN A 27 0.377 -4.076 -10.018 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -2.516 -4.453 -9.313 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -2.139 -3.968 -10.954 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -0.801 -6.345 -9.634 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -2.337 -6.486 -10.466 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -2.333 -5.387 -12.753 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -0.931 -5.776 -13.755 1.00 0.00 H new ATOM 406 N ILE A 28 -1.514 -1.485 -9.240 1.00 0.00 N ATOM 407 CA ILE A 28 -1.733 -0.070 -9.515 1.00 0.00 C ATOM 408 C ILE A 28 -0.643 0.788 -8.881 1.00 0.00 C ATOM 409 O ILE A 28 -0.241 1.810 -9.438 1.00 0.00 O ATOM 410 CB ILE A 28 -3.106 0.398 -8.998 1.00 0.00 C ATOM 411 CG1 ILE A 28 -3.256 0.065 -7.512 1.00 0.00 C ATOM 412 CG2 ILE A 28 -4.223 -0.243 -9.807 1.00 0.00 C ATOM 413 CD1 ILE A 28 -4.480 0.686 -6.875 1.00 0.00 C ATOM 0 H ILE A 28 -2.064 -1.854 -8.465 1.00 0.00 H new ATOM 0 HA ILE A 28 -1.702 0.050 -10.598 1.00 0.00 H new ATOM 0 HB ILE A 28 -3.174 1.479 -9.117 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -3.304 -1.017 -7.393 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -2.367 0.405 -6.980 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -5.187 0.098 -9.430 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -4.123 0.041 -10.855 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -4.161 -1.328 -9.717 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -4.523 0.408 -5.822 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -4.425 1.771 -6.962 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -5.376 0.327 -7.382 1.00 0.00 H new ATOM 425 N ARG A 29 -0.168 0.364 -7.715 1.00 0.00 N ATOM 426 CA ARG A 29 0.876 1.093 -7.005 1.00 0.00 C ATOM 427 C ARG A 29 2.005 0.156 -6.586 1.00 0.00 C ATOM 428 O ARG A 29 2.002 -0.410 -5.493 1.00 0.00 O ATOM 429 CB ARG A 29 0.294 1.790 -5.774 1.00 0.00 C ATOM 430 CG ARG A 29 -0.811 2.781 -6.100 1.00 0.00 C ATOM 431 CD ARG A 29 -0.275 3.982 -6.863 1.00 0.00 C ATOM 432 NE ARG A 29 0.551 4.842 -6.019 1.00 0.00 N ATOM 433 CZ ARG A 29 1.400 5.745 -6.498 1.00 0.00 C ATOM 434 NH1 ARG A 29 1.534 5.904 -7.807 1.00 0.00 N ATOM 435 NH2 ARG A 29 2.117 6.490 -5.666 1.00 0.00 N ATOM 0 H ARG A 29 -0.489 -0.481 -7.242 1.00 0.00 H new ATOM 0 HA ARG A 29 1.283 1.845 -7.681 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -0.096 1.036 -5.091 1.00 0.00 H new ATOM 0 HB3 ARG A 29 1.095 2.311 -5.250 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -1.581 2.287 -6.692 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -1.284 3.116 -5.177 1.00 0.00 H new ATOM 0 HD2 ARG A 29 0.312 3.638 -7.715 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -1.109 4.559 -7.263 1.00 0.00 H new ATOM 0 HE ARG A 29 0.472 4.744 -5.007 1.00 0.00 H new ATOM 0 HH11 ARG A 29 0.985 5.333 -8.449 1.00 0.00 H new ATOM 0 HH12 ARG A 29 2.186 6.598 -8.172 1.00 0.00 H new ATOM 0 HH21 ARG A 29 2.017 6.370 -4.658 1.00 0.00 H new ATOM 0 HH22 ARG A 29 2.769 7.183 -6.034 1.00 0.00 H new ATOM 449 N PRO A 30 2.995 -0.013 -7.475 1.00 0.00 N ATOM 450 CA PRO A 30 4.149 -0.881 -7.220 1.00 0.00 C ATOM 451 C PRO A 30 5.075 -0.314 -6.150 1.00 0.00 C ATOM 452 O PRO A 30 5.182 0.901 -5.988 1.00 0.00 O ATOM 453 CB PRO A 30 4.862 -0.929 -8.574 1.00 0.00 C ATOM 454 CG PRO A 30 4.466 0.334 -9.256 1.00 0.00 C ATOM 455 CD PRO A 30 3.065 0.631 -8.798 1.00 0.00 C ATOM 0 HA PRO A 30 3.849 -1.860 -6.846 1.00 0.00 H new ATOM 0 HB2 PRO A 30 5.943 -0.990 -8.450 1.00 0.00 H new ATOM 0 HB3 PRO A 30 4.558 -1.802 -9.151 1.00 0.00 H new ATOM 0 HG2 PRO A 30 5.143 1.147 -8.994 1.00 0.00 H new ATOM 0 HG3 PRO A 30 4.507 0.222 -10.339 1.00 0.00 H new ATOM 0 HD2 PRO A 30 2.882 1.704 -8.733 1.00 0.00 H new ATOM 0 HD3 PRO A 30 2.323 0.222 -9.484 1.00 0.00 H new ATOM 463 N GLY A 31 5.744 -1.203 -5.421 1.00 0.00 N ATOM 464 CA GLY A 31 6.652 -0.772 -4.375 1.00 0.00 C ATOM 465 C GLY A 31 5.956 0.039 -3.300 1.00 0.00 C ATOM 466 O GLY A 31 6.114 1.259 -3.231 1.00 0.00 O ATOM 0 H GLY A 31 5.673 -2.214 -5.537 1.00 0.00 H new ATOM 0 HA2 GLY A 31 7.119 -1.646 -3.921 1.00 0.00 H new ATOM 0 HA3 GLY A 31 7.451 -0.176 -4.815 1.00 0.00 H new ATOM 470 N LEU A 32 5.183 -0.638 -2.458 1.00 0.00 N ATOM 471 CA LEU A 32 4.458 0.027 -1.381 1.00 0.00 C ATOM 472 C LEU A 32 5.114 -0.248 -0.032 1.00 0.00 C ATOM 473 O LEU A 32 5.834 -1.233 0.129 1.00 0.00 O ATOM 474 CB LEU A 32 3.001 -0.438 -1.357 1.00 0.00 C ATOM 475 CG LEU A 32 2.129 0.026 -2.524 1.00 0.00 C ATOM 476 CD1 LEU A 32 0.910 -0.873 -2.670 1.00 0.00 C ATOM 477 CD2 LEU A 32 1.705 1.474 -2.331 1.00 0.00 C ATOM 0 H LEU A 32 5.042 -1.647 -2.500 1.00 0.00 H new ATOM 0 HA LEU A 32 4.487 1.101 -1.566 1.00 0.00 H new ATOM 0 HB2 LEU A 32 2.989 -1.528 -1.331 1.00 0.00 H new ATOM 0 HB3 LEU A 32 2.545 -0.092 -0.429 1.00 0.00 H new ATOM 0 HG LEU A 32 2.716 -0.040 -3.440 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.301 -0.528 -3.505 1.00 0.00 H new ATOM 0 HD12 LEU A 32 1.233 -1.897 -2.856 1.00 0.00 H new ATOM 0 HD13 LEU A 32 0.321 -0.839 -1.753 1.00 0.00 H new ATOM 0 HD21 LEU A 32 1.085 1.787 -3.171 1.00 0.00 H new ATOM 0 HD22 LEU A 32 1.136 1.566 -1.406 1.00 0.00 H new ATOM 0 HD23 LEU A 32 2.590 2.108 -2.277 1.00 0.00 H new ATOM 489 N GLN A 33 4.859 0.628 0.934 1.00 0.00 N ATOM 490 CA GLN A 33 5.424 0.478 2.270 1.00 0.00 C ATOM 491 C GLN A 33 4.340 0.600 3.336 1.00 0.00 C ATOM 492 O GLN A 33 3.864 1.697 3.630 1.00 0.00 O ATOM 493 CB GLN A 33 6.510 1.529 2.508 1.00 0.00 C ATOM 494 CG GLN A 33 6.001 2.959 2.428 1.00 0.00 C ATOM 495 CD GLN A 33 7.094 3.948 2.075 1.00 0.00 C ATOM 496 OE1 GLN A 33 7.883 3.718 1.158 1.00 0.00 O ATOM 497 NE2 GLN A 33 7.147 5.057 2.803 1.00 0.00 N ATOM 0 H GLN A 33 4.265 1.449 0.817 1.00 0.00 H new ATOM 0 HA GLN A 33 5.867 -0.515 2.340 1.00 0.00 H new ATOM 0 HB2 GLN A 33 6.954 1.365 3.490 1.00 0.00 H new ATOM 0 HB3 GLN A 33 7.303 1.393 1.773 1.00 0.00 H new ATOM 0 HG2 GLN A 33 5.209 3.017 1.682 1.00 0.00 H new ATOM 0 HG3 GLN A 33 5.559 3.238 3.385 1.00 0.00 H new ATOM 0 HE21 GLN A 33 6.473 5.207 3.554 1.00 0.00 H new ATOM 0 HE22 GLN A 33 7.862 5.759 2.612 1.00 0.00 H new ATOM 506 N TYR A 34 3.954 -0.534 3.912 1.00 0.00 N ATOM 507 CA TYR A 34 2.924 -0.555 4.944 1.00 0.00 C ATOM 508 C TYR A 34 3.529 -0.309 6.322 1.00 0.00 C ATOM 509 O TYR A 34 4.573 -0.866 6.664 1.00 0.00 O ATOM 510 CB TYR A 34 2.186 -1.894 4.930 1.00 0.00 C ATOM 511 CG TYR A 34 1.652 -2.277 3.568 1.00 0.00 C ATOM 512 CD1 TYR A 34 2.457 -2.929 2.642 1.00 0.00 C ATOM 513 CD2 TYR A 34 0.342 -1.986 3.207 1.00 0.00 C ATOM 514 CE1 TYR A 34 1.973 -3.280 1.397 1.00 0.00 C ATOM 515 CE2 TYR A 34 -0.151 -2.335 1.964 1.00 0.00 C ATOM 516 CZ TYR A 34 0.669 -2.981 1.063 1.00 0.00 C ATOM 517 OH TYR A 34 0.182 -3.329 -0.177 1.00 0.00 O ATOM 0 H TYR A 34 4.339 -1.450 3.682 1.00 0.00 H new ATOM 0 HA TYR A 34 2.215 0.245 4.731 1.00 0.00 H new ATOM 0 HB2 TYR A 34 2.861 -2.675 5.279 1.00 0.00 H new ATOM 0 HB3 TYR A 34 1.357 -1.850 5.637 1.00 0.00 H new ATOM 0 HD1 TYR A 34 3.479 -3.165 2.900 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -0.302 -1.478 3.910 1.00 0.00 H new ATOM 0 HE1 TYR A 34 2.612 -3.786 0.689 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -1.172 -2.103 1.700 1.00 0.00 H new ATOM 0 HH TYR A 34 -0.669 -3.803 -0.073 1.00 0.00 H new ATOM 527 N LYS A 35 2.866 0.530 7.111 1.00 0.00 N ATOM 528 CA LYS A 35 3.335 0.850 8.454 1.00 0.00 C ATOM 529 C LYS A 35 2.237 0.610 9.485 1.00 0.00 C ATOM 530 O LYS A 35 1.059 0.851 9.220 1.00 0.00 O ATOM 531 CB LYS A 35 3.802 2.306 8.520 1.00 0.00 C ATOM 532 CG LYS A 35 5.024 2.592 7.665 1.00 0.00 C ATOM 533 CD LYS A 35 4.643 2.855 6.218 1.00 0.00 C ATOM 534 CE LYS A 35 4.256 4.310 5.999 1.00 0.00 C ATOM 535 NZ LYS A 35 2.799 4.534 6.209 1.00 0.00 N ATOM 0 H LYS A 35 2.002 1.001 6.843 1.00 0.00 H new ATOM 0 HA LYS A 35 4.175 0.195 8.684 1.00 0.00 H new ATOM 0 HB2 LYS A 35 2.986 2.955 8.202 1.00 0.00 H new ATOM 0 HB3 LYS A 35 4.026 2.560 9.556 1.00 0.00 H new ATOM 0 HG2 LYS A 35 5.555 3.456 8.065 1.00 0.00 H new ATOM 0 HG3 LYS A 35 5.709 1.746 7.714 1.00 0.00 H new ATOM 0 HD2 LYS A 35 5.479 2.598 5.568 1.00 0.00 H new ATOM 0 HD3 LYS A 35 3.811 2.210 5.937 1.00 0.00 H new ATOM 0 HE2 LYS A 35 4.823 4.943 6.682 1.00 0.00 H new ATOM 0 HE3 LYS A 35 4.527 4.610 4.987 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 2.460 5.258 5.544 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 2.284 3.645 6.046 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 2.634 4.855 7.184 1.00 0.00 H new ATOM 549 N LEU A 36 2.631 0.136 10.662 1.00 0.00 N ATOM 550 CA LEU A 36 1.679 -0.136 11.735 1.00 0.00 C ATOM 551 C LEU A 36 1.652 1.010 12.741 1.00 0.00 C ATOM 552 O LEU A 36 2.451 1.047 13.678 1.00 0.00 O ATOM 553 CB LEU A 36 2.038 -1.443 12.443 1.00 0.00 C ATOM 554 CG LEU A 36 0.899 -2.136 13.191 1.00 0.00 C ATOM 555 CD1 LEU A 36 0.052 -2.958 12.231 1.00 0.00 C ATOM 556 CD2 LEU A 36 1.449 -3.014 14.305 1.00 0.00 C ATOM 0 H LEU A 36 3.602 -0.068 10.898 1.00 0.00 H new ATOM 0 HA LEU A 36 0.687 -0.231 11.293 1.00 0.00 H new ATOM 0 HB2 LEU A 36 2.435 -2.137 11.702 1.00 0.00 H new ATOM 0 HB3 LEU A 36 2.841 -1.240 13.152 1.00 0.00 H new ATOM 0 HG LEU A 36 0.265 -1.370 13.638 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -0.754 -3.444 12.781 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -0.372 -2.304 11.469 1.00 0.00 H new ATOM 0 HD13 LEU A 36 0.674 -3.716 11.754 1.00 0.00 H new ATOM 0 HD21 LEU A 36 0.624 -3.499 14.827 1.00 0.00 H new ATOM 0 HD22 LEU A 36 2.106 -3.773 13.880 1.00 0.00 H new ATOM 0 HD23 LEU A 36 2.012 -2.400 15.008 1.00 0.00 H new ATOM 568 N LEU A 37 0.727 1.943 12.543 1.00 0.00 N ATOM 569 CA LEU A 37 0.594 3.090 13.434 1.00 0.00 C ATOM 570 C LEU A 37 0.758 2.669 14.891 1.00 0.00 C ATOM 571 O LEU A 37 1.547 3.255 15.632 1.00 0.00 O ATOM 572 CB LEU A 37 -0.767 3.760 13.235 1.00 0.00 C ATOM 573 CG LEU A 37 -1.012 4.387 11.863 1.00 0.00 C ATOM 574 CD1 LEU A 37 -2.487 4.710 11.679 1.00 0.00 C ATOM 575 CD2 LEU A 37 -0.165 5.640 11.691 1.00 0.00 C ATOM 0 H LEU A 37 0.058 1.927 11.773 1.00 0.00 H new ATOM 0 HA LEU A 37 1.382 3.802 13.190 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -1.545 3.018 13.417 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -0.882 4.535 13.992 1.00 0.00 H new ATOM 0 HG LEU A 37 -0.721 3.667 11.098 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -2.642 5.156 10.696 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -3.073 3.794 11.759 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -2.805 5.412 12.450 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -0.352 6.074 10.709 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -0.426 6.364 12.463 1.00 0.00 H new ATOM 0 HD23 LEU A 37 0.890 5.381 11.778 1.00 0.00 H new ATOM 587 N SER A 38 0.008 1.648 15.295 1.00 0.00 N ATOM 588 CA SER A 38 0.070 1.149 16.664 1.00 0.00 C ATOM 589 C SER A 38 -0.767 -0.117 16.819 1.00 0.00 C ATOM 590 O SER A 38 -1.668 -0.379 16.022 1.00 0.00 O ATOM 591 CB SER A 38 -0.419 2.220 17.642 1.00 0.00 C ATOM 592 OG SER A 38 -0.052 1.901 18.973 1.00 0.00 O ATOM 0 H SER A 38 -0.649 1.151 14.694 1.00 0.00 H new ATOM 0 HA SER A 38 1.109 0.907 16.890 1.00 0.00 H new ATOM 0 HB2 SER A 38 0.002 3.187 17.367 1.00 0.00 H new ATOM 0 HB3 SER A 38 -1.503 2.313 17.573 1.00 0.00 H new ATOM 0 HG SER A 38 -0.374 2.601 19.578 1.00 0.00 H new ATOM 598 N GLN A 39 -0.461 -0.899 17.849 1.00 0.00 N ATOM 599 CA GLN A 39 -1.184 -2.138 18.108 1.00 0.00 C ATOM 600 C GLN A 39 -1.720 -2.167 19.536 1.00 0.00 C ATOM 601 O GLN A 39 -0.970 -1.989 20.495 1.00 0.00 O ATOM 602 CB GLN A 39 -0.273 -3.344 17.868 1.00 0.00 C ATOM 603 CG GLN A 39 -1.030 -4.646 17.662 1.00 0.00 C ATOM 604 CD GLN A 39 -1.397 -5.321 18.969 1.00 0.00 C ATOM 605 OE1 GLN A 39 -2.538 -5.241 19.423 1.00 0.00 O ATOM 606 NE2 GLN A 39 -0.429 -5.993 19.581 1.00 0.00 N ATOM 0 H GLN A 39 0.282 -0.697 18.517 1.00 0.00 H new ATOM 0 HA GLN A 39 -2.029 -2.187 17.421 1.00 0.00 H new ATOM 0 HB2 GLN A 39 0.348 -3.152 16.993 1.00 0.00 H new ATOM 0 HB3 GLN A 39 0.400 -3.455 18.718 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -1.938 -4.448 17.092 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -0.421 -5.325 17.065 1.00 0.00 H new ATOM 0 HE21 GLN A 39 0.503 -6.033 19.169 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -0.618 -6.469 20.463 1.00 0.00 H new ATOM 615 N SER A 40 -3.023 -2.393 19.668 1.00 0.00 N ATOM 616 CA SER A 40 -3.661 -2.441 20.979 1.00 0.00 C ATOM 617 C SER A 40 -4.616 -3.627 21.075 1.00 0.00 C ATOM 618 O SER A 40 -5.010 -4.205 20.062 1.00 0.00 O ATOM 619 CB SER A 40 -4.418 -1.139 21.249 1.00 0.00 C ATOM 620 OG SER A 40 -3.523 -0.078 21.533 1.00 0.00 O ATOM 0 H SER A 40 -3.657 -2.546 18.884 1.00 0.00 H new ATOM 0 HA SER A 40 -2.881 -2.562 21.731 1.00 0.00 H new ATOM 0 HB2 SER A 40 -5.027 -0.883 20.382 1.00 0.00 H new ATOM 0 HB3 SER A 40 -5.100 -1.278 22.088 1.00 0.00 H new ATOM 0 HG SER A 40 -4.031 0.743 21.700 1.00 0.00 H new ATOM 626 N GLY A 41 -4.985 -3.984 22.301 1.00 0.00 N ATOM 627 CA GLY A 41 -5.891 -5.099 22.508 1.00 0.00 C ATOM 628 C GLY A 41 -5.193 -6.311 23.093 1.00 0.00 C ATOM 629 O GLY A 41 -4.022 -6.259 23.468 1.00 0.00 O ATOM 0 H GLY A 41 -4.673 -3.521 23.155 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -6.696 -4.790 23.175 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -6.350 -5.371 21.558 1.00 0.00 H new ATOM 633 N PRO A 42 -5.922 -7.434 23.179 1.00 0.00 N ATOM 634 CA PRO A 42 -5.387 -8.685 23.723 1.00 0.00 C ATOM 635 C PRO A 42 -4.344 -9.316 22.806 1.00 0.00 C ATOM 636 O PRO A 42 -4.054 -8.797 21.729 1.00 0.00 O ATOM 637 CB PRO A 42 -6.622 -9.584 23.826 1.00 0.00 C ATOM 638 CG PRO A 42 -7.564 -9.051 22.802 1.00 0.00 C ATOM 639 CD PRO A 42 -7.325 -7.568 22.751 1.00 0.00 C ATOM 0 HA PRO A 42 -4.875 -8.531 24.673 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -6.371 -10.626 23.629 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -7.058 -9.545 24.824 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -7.383 -9.509 21.830 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -8.597 -9.271 23.071 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -7.479 -7.170 21.748 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -8.001 -7.029 23.415 1.00 0.00 H new ATOM 647 N VAL A 43 -3.783 -10.440 23.242 1.00 0.00 N ATOM 648 CA VAL A 43 -2.773 -11.143 22.460 1.00 0.00 C ATOM 649 C VAL A 43 -3.417 -12.025 21.396 1.00 0.00 C ATOM 650 O VAL A 43 -2.829 -12.276 20.343 1.00 0.00 O ATOM 651 CB VAL A 43 -1.873 -12.013 23.357 1.00 0.00 C ATOM 652 CG1 VAL A 43 -2.696 -13.081 24.062 1.00 0.00 C ATOM 653 CG2 VAL A 43 -0.755 -12.643 22.540 1.00 0.00 C ATOM 0 H VAL A 43 -4.011 -10.883 24.132 1.00 0.00 H new ATOM 0 HA VAL A 43 -2.162 -10.382 21.975 1.00 0.00 H new ATOM 0 HB VAL A 43 -1.421 -11.375 24.117 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -2.044 -13.686 24.691 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -3.457 -12.605 24.680 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -3.178 -13.718 23.320 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -0.129 -13.254 23.190 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -1.184 -13.268 21.757 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -0.149 -11.858 22.086 1.00 0.00 H new ATOM 663 N HIS A 44 -4.628 -12.493 21.677 1.00 0.00 N ATOM 664 CA HIS A 44 -5.354 -13.347 20.744 1.00 0.00 C ATOM 665 C HIS A 44 -6.218 -12.512 19.803 1.00 0.00 C ATOM 666 O HIS A 44 -6.443 -12.889 18.653 1.00 0.00 O ATOM 667 CB HIS A 44 -6.226 -14.345 21.505 1.00 0.00 C ATOM 668 CG HIS A 44 -7.579 -13.809 21.860 1.00 0.00 C ATOM 669 ND1 HIS A 44 -7.803 -12.987 22.944 1.00 0.00 N ATOM 670 CD2 HIS A 44 -8.783 -13.981 21.266 1.00 0.00 C ATOM 671 CE1 HIS A 44 -9.086 -12.678 23.003 1.00 0.00 C ATOM 672 NE2 HIS A 44 -9.703 -13.268 21.995 1.00 0.00 N ATOM 0 H HIS A 44 -5.128 -12.295 22.544 1.00 0.00 H new ATOM 0 HA HIS A 44 -4.624 -13.895 20.148 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -6.347 -15.244 20.900 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -5.711 -14.642 22.418 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -8.983 -14.570 20.383 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -9.551 -12.050 23.748 1.00 0.00 H new ATOM 0 HE2 HIS A 44 -10.700 -13.204 21.791 1.00 0.00 H new ATOM 681 N ALA A 45 -6.699 -11.378 20.300 1.00 0.00 N ATOM 682 CA ALA A 45 -7.537 -10.490 19.503 1.00 0.00 C ATOM 683 C ALA A 45 -6.934 -9.091 19.423 1.00 0.00 C ATOM 684 O ALA A 45 -7.587 -8.090 19.717 1.00 0.00 O ATOM 685 CB ALA A 45 -8.942 -10.428 20.084 1.00 0.00 C ATOM 0 H ALA A 45 -6.523 -11.052 21.250 1.00 0.00 H new ATOM 0 HA ALA A 45 -7.591 -10.893 18.492 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -9.557 -9.761 19.479 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -9.380 -11.426 20.084 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -8.897 -10.052 21.106 1.00 0.00 H new ATOM 691 N PRO A 46 -5.658 -9.019 19.016 1.00 0.00 N ATOM 692 CA PRO A 46 -4.939 -7.748 18.887 1.00 0.00 C ATOM 693 C PRO A 46 -5.458 -6.902 17.730 1.00 0.00 C ATOM 694 O PRO A 46 -6.112 -7.412 16.820 1.00 0.00 O ATOM 695 CB PRO A 46 -3.495 -8.183 18.626 1.00 0.00 C ATOM 696 CG PRO A 46 -3.611 -9.538 18.018 1.00 0.00 C ATOM 697 CD PRO A 46 -4.819 -10.172 18.649 1.00 0.00 C ATOM 0 HA PRO A 46 -5.057 -7.122 19.771 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -2.988 -7.490 17.955 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -2.917 -8.212 19.550 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -3.725 -9.472 16.936 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -2.715 -10.129 18.208 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -5.332 -10.837 17.955 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -4.551 -10.767 19.522 1.00 0.00 H new ATOM 705 N VAL A 47 -5.164 -5.607 17.771 1.00 0.00 N ATOM 706 CA VAL A 47 -5.600 -4.690 16.725 1.00 0.00 C ATOM 707 C VAL A 47 -4.409 -4.113 15.968 1.00 0.00 C ATOM 708 O VAL A 47 -3.718 -3.222 16.463 1.00 0.00 O ATOM 709 CB VAL A 47 -6.436 -3.533 17.304 1.00 0.00 C ATOM 710 CG1 VAL A 47 -6.940 -2.628 16.191 1.00 0.00 C ATOM 711 CG2 VAL A 47 -7.594 -4.074 18.129 1.00 0.00 C ATOM 0 H VAL A 47 -4.625 -5.169 18.518 1.00 0.00 H new ATOM 0 HA VAL A 47 -6.219 -5.266 16.038 1.00 0.00 H new ATOM 0 HB VAL A 47 -5.798 -2.940 17.960 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -7.528 -1.817 16.620 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -6.091 -2.213 15.647 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -7.562 -3.205 15.507 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -8.174 -3.243 18.531 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -8.233 -4.691 17.498 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -7.206 -4.676 18.951 1.00 0.00 H new ATOM 721 N PHE A 48 -4.175 -4.626 14.765 1.00 0.00 N ATOM 722 CA PHE A 48 -3.066 -4.162 13.939 1.00 0.00 C ATOM 723 C PHE A 48 -3.515 -3.040 13.007 1.00 0.00 C ATOM 724 O PHE A 48 -4.191 -3.281 12.006 1.00 0.00 O ATOM 725 CB PHE A 48 -2.492 -5.321 13.121 1.00 0.00 C ATOM 726 CG PHE A 48 -1.611 -6.239 13.919 1.00 0.00 C ATOM 727 CD1 PHE A 48 -2.163 -7.171 14.783 1.00 0.00 C ATOM 728 CD2 PHE A 48 -0.232 -6.172 13.803 1.00 0.00 C ATOM 729 CE1 PHE A 48 -1.355 -8.017 15.519 1.00 0.00 C ATOM 730 CE2 PHE A 48 0.581 -7.016 14.537 1.00 0.00 C ATOM 731 CZ PHE A 48 0.019 -7.940 15.395 1.00 0.00 C ATOM 0 H PHE A 48 -4.738 -5.363 14.340 1.00 0.00 H new ATOM 0 HA PHE A 48 -2.291 -3.774 14.600 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -3.314 -5.897 12.696 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -1.920 -4.917 12.285 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -3.236 -7.237 14.882 1.00 0.00 H new ATOM 0 HD2 PHE A 48 0.213 -5.452 13.132 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -1.797 -8.738 16.191 1.00 0.00 H new ATOM 0 HE2 PHE A 48 1.655 -6.952 14.439 1.00 0.00 H new ATOM 0 HZ PHE A 48 0.652 -8.601 15.968 1.00 0.00 H new ATOM 741 N THR A 49 -3.133 -1.812 13.343 1.00 0.00 N ATOM 742 CA THR A 49 -3.497 -0.652 12.539 1.00 0.00 C ATOM 743 C THR A 49 -2.413 -0.330 11.516 1.00 0.00 C ATOM 744 O THR A 49 -1.374 0.234 11.856 1.00 0.00 O ATOM 745 CB THR A 49 -3.740 0.588 13.420 1.00 0.00 C ATOM 746 OG1 THR A 49 -4.718 0.293 14.423 1.00 0.00 O ATOM 747 CG2 THR A 49 -4.209 1.766 12.579 1.00 0.00 C ATOM 0 H THR A 49 -2.572 -1.595 14.167 1.00 0.00 H new ATOM 0 HA THR A 49 -4.420 -0.905 12.018 1.00 0.00 H new ATOM 0 HB THR A 49 -2.798 0.856 13.899 1.00 0.00 H new ATOM 0 HG1 THR A 49 -4.865 1.086 14.980 1.00 0.00 H new ATOM 0 HG21 THR A 49 -4.374 2.630 13.223 1.00 0.00 H new ATOM 0 HG22 THR A 49 -3.449 2.007 11.835 1.00 0.00 H new ATOM 0 HG23 THR A 49 -5.140 1.506 12.075 1.00 0.00 H new ATOM 755 N MET A 50 -2.663 -0.692 10.262 1.00 0.00 N ATOM 756 CA MET A 50 -1.708 -0.440 9.190 1.00 0.00 C ATOM 757 C MET A 50 -2.022 0.874 8.481 1.00 0.00 C ATOM 758 O MET A 50 -3.156 1.351 8.510 1.00 0.00 O ATOM 759 CB MET A 50 -1.723 -1.592 8.183 1.00 0.00 C ATOM 760 CG MET A 50 -0.732 -2.697 8.510 1.00 0.00 C ATOM 761 SD MET A 50 0.973 -2.227 8.162 1.00 0.00 S ATOM 762 CE MET A 50 1.861 -3.343 9.246 1.00 0.00 C ATOM 0 H MET A 50 -3.518 -1.161 9.964 1.00 0.00 H new ATOM 0 HA MET A 50 -0.714 -0.366 9.632 1.00 0.00 H new ATOM 0 HB2 MET A 50 -2.727 -2.015 8.142 1.00 0.00 H new ATOM 0 HB3 MET A 50 -1.502 -1.199 7.190 1.00 0.00 H new ATOM 0 HG2 MET A 50 -0.824 -2.962 9.563 1.00 0.00 H new ATOM 0 HG3 MET A 50 -0.984 -3.588 7.934 1.00 0.00 H new ATOM 0 HE1 MET A 50 2.730 -2.832 9.662 1.00 0.00 H new ATOM 0 HE2 MET A 50 1.205 -3.662 10.056 1.00 0.00 H new ATOM 0 HE3 MET A 50 2.189 -4.215 8.681 1.00 0.00 H new ATOM 772 N SER A 51 -1.009 1.455 7.845 1.00 0.00 N ATOM 773 CA SER A 51 -1.176 2.716 7.132 1.00 0.00 C ATOM 774 C SER A 51 -0.277 2.767 5.901 1.00 0.00 C ATOM 775 O SER A 51 0.909 2.444 5.970 1.00 0.00 O ATOM 776 CB SER A 51 -0.863 3.894 8.056 1.00 0.00 C ATOM 777 OG SER A 51 0.518 3.943 8.369 1.00 0.00 O ATOM 0 H SER A 51 -0.064 1.072 7.809 1.00 0.00 H new ATOM 0 HA SER A 51 -2.214 2.786 6.805 1.00 0.00 H new ATOM 0 HB2 SER A 51 -1.164 4.826 7.577 1.00 0.00 H new ATOM 0 HB3 SER A 51 -1.444 3.805 8.974 1.00 0.00 H new ATOM 0 HG SER A 51 0.818 3.058 8.665 1.00 0.00 H new ATOM 783 N VAL A 52 -0.850 3.176 4.773 1.00 0.00 N ATOM 784 CA VAL A 52 -0.102 3.272 3.526 1.00 0.00 C ATOM 785 C VAL A 52 -0.338 4.615 2.844 1.00 0.00 C ATOM 786 O VAL A 52 -1.349 5.276 3.086 1.00 0.00 O ATOM 787 CB VAL A 52 -0.485 2.140 2.553 1.00 0.00 C ATOM 788 CG1 VAL A 52 -1.845 2.411 1.929 1.00 0.00 C ATOM 789 CG2 VAL A 52 0.581 1.978 1.480 1.00 0.00 C ATOM 0 H VAL A 52 -1.831 3.446 4.698 1.00 0.00 H new ATOM 0 HA VAL A 52 0.953 3.179 3.783 1.00 0.00 H new ATOM 0 HB VAL A 52 -0.549 1.207 3.113 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -2.099 1.601 1.245 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -2.599 2.473 2.713 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -1.813 3.353 1.381 1.00 0.00 H new ATOM 0 HG21 VAL A 52 0.295 1.175 0.801 1.00 0.00 H new ATOM 0 HG22 VAL A 52 0.678 2.908 0.920 1.00 0.00 H new ATOM 0 HG23 VAL A 52 1.535 1.735 1.948 1.00 0.00 H new ATOM 799 N ASP A 53 0.600 5.013 1.992 1.00 0.00 N ATOM 800 CA ASP A 53 0.493 6.277 1.273 1.00 0.00 C ATOM 801 C ASP A 53 0.270 6.038 -0.217 1.00 0.00 C ATOM 802 O ASP A 53 1.148 5.527 -0.912 1.00 0.00 O ATOM 803 CB ASP A 53 1.754 7.116 1.485 1.00 0.00 C ATOM 804 CG ASP A 53 3.005 6.415 0.996 1.00 0.00 C ATOM 805 OD1 ASP A 53 3.144 5.201 1.254 1.00 0.00 O ATOM 806 OD2 ASP A 53 3.847 7.080 0.355 1.00 0.00 O ATOM 0 H ASP A 53 1.443 4.479 1.782 1.00 0.00 H new ATOM 0 HA ASP A 53 -0.366 6.820 1.667 1.00 0.00 H new ATOM 0 HB2 ASP A 53 1.646 8.067 0.963 1.00 0.00 H new ATOM 0 HB3 ASP A 53 1.860 7.345 2.545 1.00 0.00 H new ATOM 811 N VAL A 54 -0.910 6.410 -0.701 1.00 0.00 N ATOM 812 CA VAL A 54 -1.249 6.236 -2.109 1.00 0.00 C ATOM 813 C VAL A 54 -1.814 7.522 -2.701 1.00 0.00 C ATOM 814 O VAL A 54 -2.743 8.115 -2.152 1.00 0.00 O ATOM 815 CB VAL A 54 -2.272 5.101 -2.304 1.00 0.00 C ATOM 816 CG1 VAL A 54 -2.668 4.985 -3.768 1.00 0.00 C ATOM 817 CG2 VAL A 54 -1.711 3.784 -1.789 1.00 0.00 C ATOM 0 H VAL A 54 -1.648 6.834 -0.139 1.00 0.00 H new ATOM 0 HA VAL A 54 -0.326 5.976 -2.627 1.00 0.00 H new ATOM 0 HB VAL A 54 -3.166 5.338 -1.728 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -3.391 4.178 -3.886 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -3.113 5.923 -4.100 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -1.784 4.771 -4.368 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -2.447 2.993 -1.935 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -0.801 3.538 -2.336 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -1.483 3.876 -0.727 1.00 0.00 H new ATOM 827 N ASP A 55 -1.246 7.949 -3.824 1.00 0.00 N ATOM 828 CA ASP A 55 -1.694 9.165 -4.493 1.00 0.00 C ATOM 829 C ASP A 55 -1.899 10.294 -3.488 1.00 0.00 C ATOM 830 O ASP A 55 -2.906 11.000 -3.529 1.00 0.00 O ATOM 831 CB ASP A 55 -2.993 8.903 -5.257 1.00 0.00 C ATOM 832 CG ASP A 55 -3.146 9.806 -6.465 1.00 0.00 C ATOM 833 OD1 ASP A 55 -2.505 10.877 -6.489 1.00 0.00 O ATOM 834 OD2 ASP A 55 -3.907 9.442 -7.386 1.00 0.00 O ATOM 0 H ASP A 55 -0.475 7.471 -4.290 1.00 0.00 H new ATOM 0 HA ASP A 55 -0.921 9.468 -5.199 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -3.018 7.862 -5.580 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -3.841 9.050 -4.588 1.00 0.00 H new ATOM 839 N GLY A 56 -0.937 10.457 -2.584 1.00 0.00 N ATOM 840 CA GLY A 56 -1.032 11.501 -1.581 1.00 0.00 C ATOM 841 C GLY A 56 -2.209 11.302 -0.646 1.00 0.00 C ATOM 842 O GLY A 56 -2.768 12.267 -0.124 1.00 0.00 O ATOM 0 H GLY A 56 -0.094 9.885 -2.529 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -0.110 11.527 -1.000 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -1.124 12.468 -2.075 1.00 0.00 H new ATOM 846 N THR A 57 -2.589 10.045 -0.435 1.00 0.00 N ATOM 847 CA THR A 57 -3.709 9.723 0.440 1.00 0.00 C ATOM 848 C THR A 57 -3.332 8.632 1.436 1.00 0.00 C ATOM 849 O THR A 57 -3.223 7.459 1.076 1.00 0.00 O ATOM 850 CB THR A 57 -4.938 9.263 -0.367 1.00 0.00 C ATOM 851 OG1 THR A 57 -5.220 10.205 -1.408 1.00 0.00 O ATOM 852 CG2 THR A 57 -6.154 9.117 0.535 1.00 0.00 C ATOM 0 H THR A 57 -2.137 9.234 -0.858 1.00 0.00 H new ATOM 0 HA THR A 57 -3.960 10.635 0.982 1.00 0.00 H new ATOM 0 HB THR A 57 -4.714 8.291 -0.807 1.00 0.00 H new ATOM 0 HG1 THR A 57 -6.001 9.905 -1.918 1.00 0.00 H new ATOM 0 HG21 THR A 57 -7.009 8.791 -0.057 1.00 0.00 H new ATOM 0 HG22 THR A 57 -5.946 8.378 1.309 1.00 0.00 H new ATOM 0 HG23 THR A 57 -6.379 10.077 1.000 1.00 0.00 H new ATOM 860 N THR A 58 -3.134 9.024 2.690 1.00 0.00 N ATOM 861 CA THR A 58 -2.769 8.080 3.738 1.00 0.00 C ATOM 862 C THR A 58 -3.990 7.322 4.245 1.00 0.00 C ATOM 863 O THR A 58 -4.883 7.905 4.860 1.00 0.00 O ATOM 864 CB THR A 58 -2.091 8.791 4.924 1.00 0.00 C ATOM 865 OG1 THR A 58 -0.930 9.498 4.473 1.00 0.00 O ATOM 866 CG2 THR A 58 -1.695 7.792 6.001 1.00 0.00 C ATOM 0 H THR A 58 -3.220 9.990 3.005 1.00 0.00 H new ATOM 0 HA THR A 58 -2.065 7.375 3.296 1.00 0.00 H new ATOM 0 HB THR A 58 -2.804 9.497 5.350 1.00 0.00 H new ATOM 0 HG1 THR A 58 -0.506 9.949 5.233 1.00 0.00 H new ATOM 0 HG21 THR A 58 -1.218 8.318 6.828 1.00 0.00 H new ATOM 0 HG22 THR A 58 -2.584 7.276 6.364 1.00 0.00 H new ATOM 0 HG23 THR A 58 -0.998 7.065 5.584 1.00 0.00 H new ATOM 874 N TYR A 59 -4.023 6.020 3.985 1.00 0.00 N ATOM 875 CA TYR A 59 -5.136 5.182 4.415 1.00 0.00 C ATOM 876 C TYR A 59 -4.833 4.517 5.754 1.00 0.00 C ATOM 877 O TYR A 59 -3.674 4.383 6.143 1.00 0.00 O ATOM 878 CB TYR A 59 -5.436 4.116 3.359 1.00 0.00 C ATOM 879 CG TYR A 59 -6.032 4.675 2.087 1.00 0.00 C ATOM 880 CD1 TYR A 59 -5.233 5.306 1.141 1.00 0.00 C ATOM 881 CD2 TYR A 59 -7.393 4.571 1.830 1.00 0.00 C ATOM 882 CE1 TYR A 59 -5.773 5.818 -0.023 1.00 0.00 C ATOM 883 CE2 TYR A 59 -7.942 5.079 0.668 1.00 0.00 C ATOM 884 CZ TYR A 59 -7.127 5.702 -0.255 1.00 0.00 C ATOM 885 OH TYR A 59 -7.669 6.210 -1.414 1.00 0.00 O ATOM 0 H TYR A 59 -3.291 5.522 3.478 1.00 0.00 H new ATOM 0 HA TYR A 59 -6.011 5.820 4.538 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -4.514 3.587 3.117 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -6.123 3.382 3.780 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -4.172 5.398 1.319 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -8.033 4.085 2.551 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -5.138 6.306 -0.747 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -9.002 4.989 0.483 1.00 0.00 H new ATOM 0 HH TYR A 59 -7.002 6.174 -2.131 1.00 0.00 H new ATOM 895 N GLU A 60 -5.885 4.102 6.453 1.00 0.00 N ATOM 896 CA GLU A 60 -5.732 3.451 7.748 1.00 0.00 C ATOM 897 C GLU A 60 -6.811 2.392 7.956 1.00 0.00 C ATOM 898 O GLU A 60 -8.004 2.688 7.901 1.00 0.00 O ATOM 899 CB GLU A 60 -5.793 4.486 8.874 1.00 0.00 C ATOM 900 CG GLU A 60 -4.789 5.615 8.719 1.00 0.00 C ATOM 901 CD GLU A 60 -5.164 6.844 9.524 1.00 0.00 C ATOM 902 OE1 GLU A 60 -6.226 7.437 9.244 1.00 0.00 O ATOM 903 OE2 GLU A 60 -4.393 7.212 10.436 1.00 0.00 O ATOM 0 H GLU A 60 -6.852 4.205 6.144 1.00 0.00 H new ATOM 0 HA GLU A 60 -4.759 2.961 7.767 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -6.797 4.908 8.914 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -5.619 3.985 9.826 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -3.805 5.267 9.032 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -4.711 5.885 7.666 1.00 0.00 H new ATOM 910 N ALA A 61 -6.382 1.157 8.194 1.00 0.00 N ATOM 911 CA ALA A 61 -7.310 0.055 8.411 1.00 0.00 C ATOM 912 C ALA A 61 -6.813 -0.872 9.516 1.00 0.00 C ATOM 913 O ALA A 61 -5.695 -1.384 9.454 1.00 0.00 O ATOM 914 CB ALA A 61 -7.517 -0.723 7.120 1.00 0.00 C ATOM 0 H ALA A 61 -5.397 0.895 8.241 1.00 0.00 H new ATOM 0 HA ALA A 61 -8.265 0.474 8.727 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -8.213 -1.543 7.297 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -7.925 -0.060 6.357 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -6.562 -1.124 6.780 1.00 0.00 H new ATOM 920 N SER A 62 -7.650 -1.083 10.527 1.00 0.00 N ATOM 921 CA SER A 62 -7.293 -1.944 11.648 1.00 0.00 C ATOM 922 C SER A 62 -7.967 -3.307 11.521 1.00 0.00 C ATOM 923 O SER A 62 -9.132 -3.403 11.137 1.00 0.00 O ATOM 924 CB SER A 62 -7.691 -1.286 12.970 1.00 0.00 C ATOM 925 OG SER A 62 -9.097 -1.130 13.060 1.00 0.00 O ATOM 0 H SER A 62 -8.580 -0.669 10.593 1.00 0.00 H new ATOM 0 HA SER A 62 -6.213 -2.089 11.634 1.00 0.00 H new ATOM 0 HB2 SER A 62 -7.335 -1.892 13.803 1.00 0.00 H new ATOM 0 HB3 SER A 62 -7.208 -0.313 13.055 1.00 0.00 H new ATOM 0 HG SER A 62 -9.325 -0.709 13.915 1.00 0.00 H new ATOM 931 N GLY A 63 -7.224 -4.360 11.848 1.00 0.00 N ATOM 932 CA GLY A 63 -7.765 -5.704 11.764 1.00 0.00 C ATOM 933 C GLY A 63 -7.353 -6.569 12.939 1.00 0.00 C ATOM 934 O GLY A 63 -6.685 -6.114 13.868 1.00 0.00 O ATOM 0 H GLY A 63 -6.257 -4.306 12.169 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -8.853 -5.652 11.719 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -7.429 -6.170 10.838 1.00 0.00 H new ATOM 938 N PRO A 64 -7.758 -7.848 12.908 1.00 0.00 N ATOM 939 CA PRO A 64 -7.439 -8.805 13.972 1.00 0.00 C ATOM 940 C PRO A 64 -5.959 -9.171 13.997 1.00 0.00 C ATOM 941 O PRO A 64 -5.424 -9.560 15.036 1.00 0.00 O ATOM 942 CB PRO A 64 -8.287 -10.028 13.614 1.00 0.00 C ATOM 943 CG PRO A 64 -8.494 -9.928 12.142 1.00 0.00 C ATOM 944 CD PRO A 64 -8.557 -8.458 11.832 1.00 0.00 C ATOM 0 HA PRO A 64 -7.648 -8.400 14.962 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -7.778 -10.954 13.880 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -9.237 -10.021 14.149 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -7.679 -10.407 11.600 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -9.414 -10.430 11.842 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -8.142 -8.237 10.849 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -9.583 -8.090 11.835 1.00 0.00 H new ATOM 952 N SER A 65 -5.302 -9.044 12.849 1.00 0.00 N ATOM 953 CA SER A 65 -3.884 -9.365 12.739 1.00 0.00 C ATOM 954 C SER A 65 -3.214 -8.506 11.671 1.00 0.00 C ATOM 955 O SER A 65 -3.868 -8.016 10.750 1.00 0.00 O ATOM 956 CB SER A 65 -3.700 -10.847 12.407 1.00 0.00 C ATOM 957 OG SER A 65 -3.983 -11.661 13.533 1.00 0.00 O ATOM 0 H SER A 65 -5.729 -8.721 11.981 1.00 0.00 H new ATOM 0 HA SER A 65 -3.413 -9.153 13.699 1.00 0.00 H new ATOM 0 HB2 SER A 65 -4.356 -11.122 11.581 1.00 0.00 H new ATOM 0 HB3 SER A 65 -2.677 -11.024 12.074 1.00 0.00 H new ATOM 0 HG SER A 65 -4.352 -11.107 14.253 1.00 0.00 H new ATOM 963 N LYS A 66 -1.904 -8.327 11.802 1.00 0.00 N ATOM 964 CA LYS A 66 -1.141 -7.528 10.849 1.00 0.00 C ATOM 965 C LYS A 66 -1.486 -7.917 9.415 1.00 0.00 C ATOM 966 O LYS A 66 -1.749 -7.057 8.574 1.00 0.00 O ATOM 967 CB LYS A 66 0.359 -7.706 11.090 1.00 0.00 C ATOM 968 CG LYS A 66 1.209 -6.612 10.465 1.00 0.00 C ATOM 969 CD LYS A 66 2.688 -6.830 10.738 1.00 0.00 C ATOM 970 CE LYS A 66 3.122 -6.153 12.029 1.00 0.00 C ATOM 971 NZ LYS A 66 3.565 -4.750 11.797 1.00 0.00 N ATOM 0 H LYS A 66 -1.348 -8.724 12.559 1.00 0.00 H new ATOM 0 HA LYS A 66 -1.405 -6.481 10.996 1.00 0.00 H new ATOM 0 HB2 LYS A 66 0.546 -7.731 12.164 1.00 0.00 H new ATOM 0 HB3 LYS A 66 0.671 -8.671 10.690 1.00 0.00 H new ATOM 0 HG2 LYS A 66 1.037 -6.586 9.389 1.00 0.00 H new ATOM 0 HG3 LYS A 66 0.904 -5.643 10.860 1.00 0.00 H new ATOM 0 HD2 LYS A 66 2.894 -7.899 10.799 1.00 0.00 H new ATOM 0 HD3 LYS A 66 3.274 -6.439 9.906 1.00 0.00 H new ATOM 0 HE2 LYS A 66 2.295 -6.160 12.739 1.00 0.00 H new ATOM 0 HE3 LYS A 66 3.935 -6.721 12.481 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 4.099 -4.413 12.624 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 4.173 -4.713 10.954 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 2.733 -4.143 11.651 1.00 0.00 H new ATOM 985 N LYS A 67 -1.485 -9.217 9.142 1.00 0.00 N ATOM 986 CA LYS A 67 -1.801 -9.720 7.811 1.00 0.00 C ATOM 987 C LYS A 67 -3.081 -9.085 7.278 1.00 0.00 C ATOM 988 O LYS A 67 -3.060 -8.358 6.284 1.00 0.00 O ATOM 989 CB LYS A 67 -1.948 -11.243 7.840 1.00 0.00 C ATOM 990 CG LYS A 67 -2.555 -11.820 6.573 1.00 0.00 C ATOM 991 CD LYS A 67 -2.842 -13.305 6.719 1.00 0.00 C ATOM 992 CE LYS A 67 -3.997 -13.740 5.829 1.00 0.00 C ATOM 993 NZ LYS A 67 -3.532 -14.138 4.471 1.00 0.00 N ATOM 0 H LYS A 67 -1.269 -9.942 9.826 1.00 0.00 H new ATOM 0 HA LYS A 67 -0.980 -9.453 7.145 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -0.967 -11.691 8.000 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -2.569 -11.523 8.691 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -3.479 -11.291 6.337 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -1.874 -11.660 5.737 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -1.949 -13.876 6.463 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -3.078 -13.531 7.759 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -4.518 -14.577 6.294 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -4.716 -12.925 5.742 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -4.348 -14.428 3.896 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -3.057 -13.332 4.017 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -2.866 -14.933 4.551 1.00 0.00 H new ATOM 1007 N THR A 68 -4.197 -9.363 7.947 1.00 0.00 N ATOM 1008 CA THR A 68 -5.486 -8.819 7.541 1.00 0.00 C ATOM 1009 C THR A 68 -5.421 -7.303 7.389 1.00 0.00 C ATOM 1010 O THR A 68 -5.955 -6.742 6.433 1.00 0.00 O ATOM 1011 CB THR A 68 -6.590 -9.174 8.555 1.00 0.00 C ATOM 1012 OG1 THR A 68 -6.510 -10.562 8.900 1.00 0.00 O ATOM 1013 CG2 THR A 68 -7.967 -8.867 7.986 1.00 0.00 C ATOM 0 H THR A 68 -4.233 -9.962 8.772 1.00 0.00 H new ATOM 0 HA THR A 68 -5.728 -9.268 6.578 1.00 0.00 H new ATOM 0 HB THR A 68 -6.440 -8.568 9.449 1.00 0.00 H new ATOM 0 HG1 THR A 68 -7.303 -10.817 9.417 1.00 0.00 H new ATOM 0 HG21 THR A 68 -8.730 -9.126 8.720 1.00 0.00 H new ATOM 0 HG22 THR A 68 -8.035 -7.805 7.751 1.00 0.00 H new ATOM 0 HG23 THR A 68 -8.124 -9.450 7.078 1.00 0.00 H new ATOM 1021 N ALA A 69 -4.761 -6.646 8.338 1.00 0.00 N ATOM 1022 CA ALA A 69 -4.623 -5.196 8.307 1.00 0.00 C ATOM 1023 C ALA A 69 -4.233 -4.710 6.915 1.00 0.00 C ATOM 1024 O ALA A 69 -5.010 -4.033 6.242 1.00 0.00 O ATOM 1025 CB ALA A 69 -3.596 -4.742 9.334 1.00 0.00 C ATOM 0 H ALA A 69 -4.314 -7.096 9.137 1.00 0.00 H new ATOM 0 HA ALA A 69 -5.590 -4.759 8.557 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -3.503 -3.657 9.300 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -3.917 -5.048 10.330 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -2.631 -5.196 9.109 1.00 0.00 H new ATOM 1031 N LYS A 70 -3.024 -5.060 6.489 1.00 0.00 N ATOM 1032 CA LYS A 70 -2.529 -4.661 5.177 1.00 0.00 C ATOM 1033 C LYS A 70 -3.583 -4.904 4.101 1.00 0.00 C ATOM 1034 O LYS A 70 -3.781 -4.075 3.213 1.00 0.00 O ATOM 1035 CB LYS A 70 -1.250 -5.429 4.836 1.00 0.00 C ATOM 1036 CG LYS A 70 0.019 -4.729 5.291 1.00 0.00 C ATOM 1037 CD LYS A 70 1.118 -5.726 5.620 1.00 0.00 C ATOM 1038 CE LYS A 70 1.709 -6.340 4.361 1.00 0.00 C ATOM 1039 NZ LYS A 70 2.943 -7.122 4.652 1.00 0.00 N ATOM 0 H LYS A 70 -2.368 -5.620 7.034 1.00 0.00 H new ATOM 0 HA LYS A 70 -2.307 -3.594 5.209 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -1.295 -6.416 5.296 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -1.204 -5.582 3.758 1.00 0.00 H new ATOM 0 HG2 LYS A 70 0.363 -4.052 4.509 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -0.195 -4.119 6.169 1.00 0.00 H new ATOM 0 HD2 LYS A 70 1.905 -5.228 6.187 1.00 0.00 H new ATOM 0 HD3 LYS A 70 0.717 -6.514 6.257 1.00 0.00 H new ATOM 0 HE2 LYS A 70 0.970 -6.989 3.892 1.00 0.00 H new ATOM 0 HE3 LYS A 70 1.939 -5.551 3.646 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 3.315 -7.524 3.768 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 3.658 -6.497 5.076 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 2.718 -7.891 5.315 1.00 0.00 H new ATOM 1053 N LEU A 71 -4.257 -6.045 4.188 1.00 0.00 N ATOM 1054 CA LEU A 71 -5.293 -6.397 3.223 1.00 0.00 C ATOM 1055 C LEU A 71 -6.444 -5.398 3.271 1.00 0.00 C ATOM 1056 O LEU A 71 -6.936 -4.951 2.234 1.00 0.00 O ATOM 1057 CB LEU A 71 -5.816 -7.808 3.497 1.00 0.00 C ATOM 1058 CG LEU A 71 -6.900 -8.319 2.548 1.00 0.00 C ATOM 1059 CD1 LEU A 71 -6.276 -8.911 1.294 1.00 0.00 C ATOM 1060 CD2 LEU A 71 -7.778 -9.348 3.246 1.00 0.00 C ATOM 0 H LEU A 71 -4.105 -6.742 4.917 1.00 0.00 H new ATOM 0 HA LEU A 71 -4.851 -6.367 2.227 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -4.974 -8.499 3.460 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -6.208 -7.837 4.514 1.00 0.00 H new ATOM 0 HG LEU A 71 -7.526 -7.476 2.254 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -7.063 -9.270 0.630 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -5.691 -8.146 0.783 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -5.626 -9.742 1.568 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -8.544 -9.701 2.556 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -7.165 -10.190 3.569 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -8.254 -8.891 4.114 1.00 0.00 H new ATOM 1072 N HIS A 72 -6.869 -5.050 4.482 1.00 0.00 N ATOM 1073 CA HIS A 72 -7.961 -4.100 4.665 1.00 0.00 C ATOM 1074 C HIS A 72 -7.615 -2.748 4.049 1.00 0.00 C ATOM 1075 O HIS A 72 -8.338 -2.243 3.190 1.00 0.00 O ATOM 1076 CB HIS A 72 -8.273 -3.931 6.152 1.00 0.00 C ATOM 1077 CG HIS A 72 -9.111 -5.037 6.718 1.00 0.00 C ATOM 1078 ND1 HIS A 72 -9.917 -4.879 7.826 1.00 0.00 N ATOM 1079 CD2 HIS A 72 -9.266 -6.321 6.321 1.00 0.00 C ATOM 1080 CE1 HIS A 72 -10.530 -6.019 8.087 1.00 0.00 C ATOM 1081 NE2 HIS A 72 -10.153 -6.911 7.188 1.00 0.00 N ATOM 0 H HIS A 72 -6.474 -5.411 5.350 1.00 0.00 H new ATOM 0 HA HIS A 72 -8.842 -4.495 4.159 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -7.337 -3.875 6.707 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -8.789 -2.983 6.301 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -8.782 -6.794 5.479 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -11.222 -6.193 8.898 1.00 0.00 H new ATOM 0 HE2 HIS A 72 -10.469 -7.880 7.145 1.00 0.00 H new ATOM 1090 N VAL A 73 -6.505 -2.167 4.494 1.00 0.00 N ATOM 1091 CA VAL A 73 -6.063 -0.874 3.986 1.00 0.00 C ATOM 1092 C VAL A 73 -6.216 -0.797 2.471 1.00 0.00 C ATOM 1093 O VAL A 73 -6.785 0.158 1.942 1.00 0.00 O ATOM 1094 CB VAL A 73 -4.594 -0.598 4.357 1.00 0.00 C ATOM 1095 CG1 VAL A 73 -4.040 0.551 3.528 1.00 0.00 C ATOM 1096 CG2 VAL A 73 -4.467 -0.303 5.844 1.00 0.00 C ATOM 0 H VAL A 73 -5.896 -2.571 5.205 1.00 0.00 H new ATOM 0 HA VAL A 73 -6.696 -0.118 4.451 1.00 0.00 H new ATOM 0 HB VAL A 73 -4.008 -1.490 4.135 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -3.001 0.731 3.804 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -4.095 0.296 2.470 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -4.626 1.451 3.715 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -3.422 -0.110 6.089 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -5.066 0.573 6.094 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -4.822 -1.160 6.417 1.00 0.00 H new ATOM 1106 N ALA A 74 -5.705 -1.809 1.778 1.00 0.00 N ATOM 1107 CA ALA A 74 -5.787 -1.858 0.323 1.00 0.00 C ATOM 1108 C ALA A 74 -7.226 -1.688 -0.151 1.00 0.00 C ATOM 1109 O ALA A 74 -7.505 -0.894 -1.049 1.00 0.00 O ATOM 1110 CB ALA A 74 -5.209 -3.166 -0.195 1.00 0.00 C ATOM 0 H ALA A 74 -5.230 -2.606 2.201 1.00 0.00 H new ATOM 0 HA ALA A 74 -5.200 -1.031 -0.077 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -5.277 -3.188 -1.283 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -4.164 -3.246 0.105 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -5.771 -4.002 0.221 1.00 0.00 H new ATOM 1116 N VAL A 75 -8.137 -2.441 0.457 1.00 0.00 N ATOM 1117 CA VAL A 75 -9.549 -2.374 0.097 1.00 0.00 C ATOM 1118 C VAL A 75 -10.027 -0.929 0.015 1.00 0.00 C ATOM 1119 O VAL A 75 -10.694 -0.537 -0.943 1.00 0.00 O ATOM 1120 CB VAL A 75 -10.423 -3.136 1.110 1.00 0.00 C ATOM 1121 CG1 VAL A 75 -11.892 -3.043 0.724 1.00 0.00 C ATOM 1122 CG2 VAL A 75 -9.980 -4.587 1.210 1.00 0.00 C ATOM 0 H VAL A 75 -7.923 -3.105 1.201 1.00 0.00 H new ATOM 0 HA VAL A 75 -9.649 -2.843 -0.882 1.00 0.00 H new ATOM 0 HB VAL A 75 -10.300 -2.675 2.090 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -12.494 -3.587 1.451 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -12.199 -1.997 0.709 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -12.037 -3.478 -0.265 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -10.609 -5.111 1.930 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -10.072 -5.064 0.234 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -8.941 -4.629 1.537 1.00 0.00 H new ATOM 1132 N LYS A 76 -9.681 -0.139 1.025 1.00 0.00 N ATOM 1133 CA LYS A 76 -10.072 1.265 1.068 1.00 0.00 C ATOM 1134 C LYS A 76 -9.551 2.013 -0.155 1.00 0.00 C ATOM 1135 O LYS A 76 -10.294 2.741 -0.813 1.00 0.00 O ATOM 1136 CB LYS A 76 -9.545 1.924 2.345 1.00 0.00 C ATOM 1137 CG LYS A 76 -10.242 1.447 3.608 1.00 0.00 C ATOM 1138 CD LYS A 76 -9.549 1.966 4.857 1.00 0.00 C ATOM 1139 CE LYS A 76 -10.430 1.811 6.087 1.00 0.00 C ATOM 1140 NZ LYS A 76 -11.292 3.005 6.306 1.00 0.00 N ATOM 0 H LYS A 76 -9.130 -0.447 1.826 1.00 0.00 H new ATOM 0 HA LYS A 76 -11.161 1.313 1.065 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -8.477 1.725 2.432 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -9.662 3.004 2.261 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -11.279 1.782 3.601 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -10.259 0.357 3.626 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -8.614 1.426 5.007 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -9.292 3.017 4.722 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -11.057 0.926 5.976 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -9.804 1.650 6.964 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -11.877 2.860 7.154 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -10.694 3.846 6.438 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -11.908 3.145 5.480 1.00 0.00 H new ATOM 1154 N VAL A 77 -8.269 1.828 -0.454 1.00 0.00 N ATOM 1155 CA VAL A 77 -7.649 2.483 -1.600 1.00 0.00 C ATOM 1156 C VAL A 77 -8.408 2.176 -2.885 1.00 0.00 C ATOM 1157 O VAL A 77 -8.735 3.079 -3.657 1.00 0.00 O ATOM 1158 CB VAL A 77 -6.180 2.050 -1.767 1.00 0.00 C ATOM 1159 CG1 VAL A 77 -5.531 2.800 -2.920 1.00 0.00 C ATOM 1160 CG2 VAL A 77 -5.409 2.272 -0.474 1.00 0.00 C ATOM 0 H VAL A 77 -7.640 1.230 0.081 1.00 0.00 H new ATOM 0 HA VAL A 77 -7.684 3.556 -1.409 1.00 0.00 H new ATOM 0 HB VAL A 77 -6.157 0.985 -1.998 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -4.494 2.481 -3.023 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -6.070 2.586 -3.843 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -5.564 3.871 -2.721 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -4.373 1.961 -0.610 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -5.439 3.329 -0.210 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -5.862 1.685 0.325 1.00 0.00 H new ATOM 1170 N LEU A 78 -8.686 0.897 -3.110 1.00 0.00 N ATOM 1171 CA LEU A 78 -9.408 0.469 -4.303 1.00 0.00 C ATOM 1172 C LEU A 78 -10.829 1.022 -4.308 1.00 0.00 C ATOM 1173 O LEU A 78 -11.264 1.632 -5.284 1.00 0.00 O ATOM 1174 CB LEU A 78 -9.443 -1.058 -4.382 1.00 0.00 C ATOM 1175 CG LEU A 78 -8.095 -1.768 -4.246 1.00 0.00 C ATOM 1176 CD1 LEU A 78 -8.298 -3.259 -4.020 1.00 0.00 C ATOM 1177 CD2 LEU A 78 -7.238 -1.526 -5.480 1.00 0.00 C ATOM 0 H LEU A 78 -8.422 0.138 -2.482 1.00 0.00 H new ATOM 0 HA LEU A 78 -8.883 0.860 -5.174 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -10.106 -1.427 -3.600 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -9.886 -1.342 -5.336 1.00 0.00 H new ATOM 0 HG LEU A 78 -7.575 -1.357 -3.381 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -7.328 -3.748 -3.926 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -8.873 -3.414 -3.107 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -8.838 -3.685 -4.865 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -6.283 -2.038 -5.366 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -7.752 -1.909 -6.361 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -7.064 -0.456 -5.598 1.00 0.00 H new ATOM 1189 N GLN A 79 -11.546 0.806 -3.209 1.00 0.00 N ATOM 1190 CA GLN A 79 -12.918 1.285 -3.087 1.00 0.00 C ATOM 1191 C GLN A 79 -12.995 2.787 -3.340 1.00 0.00 C ATOM 1192 O GLN A 79 -13.917 3.269 -3.997 1.00 0.00 O ATOM 1193 CB GLN A 79 -13.471 0.961 -1.698 1.00 0.00 C ATOM 1194 CG GLN A 79 -13.676 -0.526 -1.457 1.00 0.00 C ATOM 1195 CD GLN A 79 -15.051 -1.003 -1.879 1.00 0.00 C ATOM 1196 OE1 GLN A 79 -15.397 -0.969 -3.061 1.00 0.00 O ATOM 1197 NE2 GLN A 79 -15.846 -1.450 -0.914 1.00 0.00 N ATOM 0 H GLN A 79 -11.200 0.303 -2.392 1.00 0.00 H new ATOM 0 HA GLN A 79 -13.522 0.777 -3.839 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -12.788 1.352 -0.944 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -14.422 1.477 -1.565 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -12.918 -1.086 -2.004 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -13.530 -0.742 -0.399 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -15.519 -1.461 0.052 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -16.784 -1.783 -1.139 1.00 0.00 H new ATOM 1206 N ALA A 80 -12.020 3.521 -2.814 1.00 0.00 N ATOM 1207 CA ALA A 80 -11.977 4.968 -2.984 1.00 0.00 C ATOM 1208 C ALA A 80 -11.934 5.346 -4.461 1.00 0.00 C ATOM 1209 O ALA A 80 -12.688 6.208 -4.913 1.00 0.00 O ATOM 1210 CB ALA A 80 -10.776 5.550 -2.254 1.00 0.00 C ATOM 0 H ALA A 80 -11.249 3.137 -2.267 1.00 0.00 H new ATOM 0 HA ALA A 80 -12.887 5.386 -2.555 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -10.757 6.631 -2.390 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -10.849 5.319 -1.191 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -9.860 5.117 -2.657 1.00 0.00 H new ATOM 1216 N MET A 81 -11.047 4.697 -5.208 1.00 0.00 N ATOM 1217 CA MET A 81 -10.907 4.965 -6.634 1.00 0.00 C ATOM 1218 C MET A 81 -12.097 4.411 -7.411 1.00 0.00 C ATOM 1219 O MET A 81 -12.514 4.984 -8.417 1.00 0.00 O ATOM 1220 CB MET A 81 -9.608 4.355 -7.165 1.00 0.00 C ATOM 1221 CG MET A 81 -8.377 4.759 -6.369 1.00 0.00 C ATOM 1222 SD MET A 81 -6.884 4.808 -7.378 1.00 0.00 S ATOM 1223 CE MET A 81 -6.234 3.162 -7.102 1.00 0.00 C ATOM 0 H MET A 81 -10.414 3.982 -4.849 1.00 0.00 H new ATOM 0 HA MET A 81 -10.876 6.046 -6.773 1.00 0.00 H new ATOM 0 HB2 MET A 81 -9.696 3.269 -7.156 1.00 0.00 H new ATOM 0 HB3 MET A 81 -9.473 4.655 -8.204 1.00 0.00 H new ATOM 0 HG2 MET A 81 -8.543 5.740 -5.924 1.00 0.00 H new ATOM 0 HG3 MET A 81 -8.233 4.057 -5.548 1.00 0.00 H new ATOM 0 HE1 MET A 81 -5.524 2.914 -7.891 1.00 0.00 H new ATOM 0 HE2 MET A 81 -5.730 3.127 -6.136 1.00 0.00 H new ATOM 0 HE3 MET A 81 -7.052 2.442 -7.110 1.00 0.00 H new ATOM 1233 N GLY A 82 -12.639 3.293 -6.937 1.00 0.00 N ATOM 1234 CA GLY A 82 -13.776 2.681 -7.601 1.00 0.00 C ATOM 1235 C GLY A 82 -13.420 1.367 -8.266 1.00 0.00 C ATOM 1236 O GLY A 82 -13.917 1.056 -9.348 1.00 0.00 O ATOM 0 H GLY A 82 -12.312 2.800 -6.106 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -14.570 2.513 -6.874 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -14.169 3.369 -8.350 1.00 0.00 H new ATOM 1240 N TYR A 83 -12.556 0.593 -7.618 1.00 0.00 N ATOM 1241 CA TYR A 83 -12.130 -0.694 -8.156 1.00 0.00 C ATOM 1242 C TYR A 83 -12.823 -1.843 -7.430 1.00 0.00 C ATOM 1243 O TYR A 83 -13.132 -1.764 -6.241 1.00 0.00 O ATOM 1244 CB TYR A 83 -10.612 -0.843 -8.038 1.00 0.00 C ATOM 1245 CG TYR A 83 -9.850 -0.184 -9.165 1.00 0.00 C ATOM 1246 CD1 TYR A 83 -9.753 -0.789 -10.412 1.00 0.00 C ATOM 1247 CD2 TYR A 83 -9.226 1.044 -8.983 1.00 0.00 C ATOM 1248 CE1 TYR A 83 -9.057 -0.191 -11.445 1.00 0.00 C ATOM 1249 CE2 TYR A 83 -8.529 1.651 -10.011 1.00 0.00 C ATOM 1250 CZ TYR A 83 -8.447 1.029 -11.239 1.00 0.00 C ATOM 1251 OH TYR A 83 -7.753 1.629 -12.265 1.00 0.00 O ATOM 0 H TYR A 83 -12.137 0.834 -6.720 1.00 0.00 H new ATOM 0 HA TYR A 83 -12.411 -0.730 -9.209 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -10.286 -0.414 -7.090 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -10.360 -1.903 -8.012 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -10.230 -1.744 -10.577 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -9.287 1.533 -8.022 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -8.991 -0.676 -12.408 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -8.051 2.607 -9.853 1.00 0.00 H new ATOM 0 HH TYR A 83 -7.385 2.483 -11.956 1.00 0.00 H new