USER MOD reduce.3.24.130724 H: found=0, std=0, add=971, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 973 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 Single : A 15 GLN : amide:sc= -0.0691 X(o=-0.069,f=0) USER MOD Single : A 26 GLN : amide:sc= -0.293 K(o=-0.29,f=-1.2!) USER MOD Single : A 27 HIS : no HD1:sc= -1.46 X(o=-1.5,f=-1.4) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0.0821 USER MOD Single : A 30 LYS NZ :NH3+ 153:sc= 0 (180deg=-0.0139) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ -147:sc= -1.03 (180deg=-2.32!) USER MOD Single : A 42 LYS NZ :NH3+ -175:sc= -0.536 (180deg=-0.714) USER MOD Single : A 43 GLN : amide:sc= -0.084 K(o=-0.084,f=-1.9!) USER MOD Single : A 49 LYS NZ :NH3+ -137:sc= -7.02! (180deg=-10.9!) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ -144:sc= -0.408 (180deg=-1.78!) USER MOD Single : A 57 HIS : no HD1:sc= -3.6! C(o=-3.6!,f=-3.4!) USER MOD Single : A 59 ASN :FLIP amide:sc= -0.092 F(o=-0.74,f=-0.092) USER MOD Single : A 60 MET CE :methyl 156:sc= -3.74 (180deg=-5.24!) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 GLN : amide:sc=-0.00188 X(o=-0.0019,f=-0.32) USER MOD Single : A 74 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 77 GLN : amide:sc= -0.537 X(o=-0.54,f=-0.1) USER MOD Single : A 84 ASN :FLIP amide:sc= -2.02 F(o=-3.6!,f=-2) USER MOD Single : A 86 HIS : no HD1:sc= -11.3! C(o=-11!,f=-12!) USER MOD Single : A 87 SER OG : rot -170:sc= -0.667 USER MOD Single : A 88 MET CE :methyl -147:sc= -2.27 (180deg=-3.15!) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 THR OG1 : rot 90:sc= -0.566 USER MOD Single : A 96 SER OG : rot 180:sc= -0.106 USER MOD Single : A 99 TYR OH : rot 167:sc= 0.932 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 110 TYR OH : rot 169:sc= 0.988 USER MOD Single : A 111 MET CE :methyl -141:sc= -2.41! (180deg=-4.15!) USER MOD Single : A 113 TYR OH : rot 18:sc= -0.134 USER MOD Single : A 115 SER OG : rot -51:sc= 1.24 USER MOD Single : A 116 GLN : amide:sc= -0.0182 X(o=-0.018,f=-0.024) USER MOD Single : A 118 THR OG1 : rot 180:sc= 0 USER MOD Single : B 339 THR OG1 : rot 59:sc= -3.43! USER MOD Single : B 340 HIS : no HD1:sc= -0.0723 X(o=-0.072,f=-0.072) USER MOD Single : B 342 SER OG : rot 180:sc= 0 USER MOD Single : B 343 SER OG : rot 17:sc= 0.512 USER MOD Single : B 344 LYS NZ :NH3+ -135:sc= -0.181 (180deg=-0.631) USER MOD ----------------------------------------------------------------- ATOM 221 N PHE A 13 0.313 -18.775 -3.169 1.00 41.44 N ATOM 222 CA PHE A 13 1.313 -18.180 -2.299 1.00 63.33 C ATOM 223 C PHE A 13 2.720 -18.374 -2.868 1.00 44.41 C ATOM 224 O PHE A 13 3.548 -17.466 -2.812 1.00 20.03 O ATOM 225 CB PHE A 13 1.218 -18.898 -0.952 1.00 2.14 C ATOM 226 CG PHE A 13 1.744 -18.079 0.229 1.00 71.11 C ATOM 227 CD1 PHE A 13 1.448 -16.754 0.322 1.00 5.52 C ATOM 228 CD2 PHE A 13 2.506 -18.674 1.185 1.00 23.23 C ATOM 229 CE1 PHE A 13 1.936 -15.993 1.418 1.00 33.33 C ATOM 230 CE2 PHE A 13 2.993 -17.913 2.280 1.00 5.13 C ATOM 231 CZ PHE A 13 2.698 -16.589 2.373 1.00 61.43 C ATOM 0 HA PHE A 13 1.133 -17.109 -2.203 1.00 63.33 H new ATOM 0 HB2 PHE A 13 0.177 -19.160 -0.764 1.00 2.14 H new ATOM 0 HB3 PHE A 13 1.776 -19.833 -1.010 1.00 2.14 H new ATOM 0 HD1 PHE A 13 0.842 -16.281 -0.437 1.00 5.52 H new ATOM 0 HD2 PHE A 13 2.741 -19.726 1.111 1.00 23.23 H new ATOM 0 HE1 PHE A 13 1.702 -14.941 1.492 1.00 33.33 H new ATOM 0 HE2 PHE A 13 3.598 -18.386 3.039 1.00 5.13 H new ATOM 0 HZ PHE A 13 3.069 -16.011 3.206 1.00 61.43 H new ATOM 241 N GLU A 14 2.948 -19.564 -3.404 1.00 55.44 N ATOM 242 CA GLU A 14 4.240 -19.890 -3.983 1.00 2.44 C ATOM 243 C GLU A 14 4.488 -19.048 -5.237 1.00 21.01 C ATOM 244 O GLU A 14 5.447 -18.280 -5.294 1.00 32.24 O ATOM 245 CB GLU A 14 4.340 -21.384 -4.298 1.00 3.33 C ATOM 246 CG GLU A 14 4.613 -22.195 -3.030 1.00 34.15 C ATOM 247 CD GLU A 14 4.658 -23.693 -3.335 1.00 72.44 C ATOM 248 OE1 GLU A 14 4.793 -24.510 -2.412 1.00 44.41 O ATOM 249 OE2 GLU A 14 4.546 -23.998 -4.583 1.00 21.22 O ATOM 0 H GLU A 14 2.259 -20.315 -3.449 1.00 55.44 H new ATOM 0 HA GLU A 14 5.013 -19.654 -3.251 1.00 2.44 H new ATOM 0 HB2 GLU A 14 3.413 -21.725 -4.759 1.00 3.33 H new ATOM 0 HB3 GLU A 14 5.137 -21.554 -5.021 1.00 3.33 H new ATOM 0 HG2 GLU A 14 5.560 -21.881 -2.591 1.00 34.15 H new ATOM 0 HG3 GLU A 14 3.837 -21.994 -2.292 1.00 34.15 H new ATOM 257 N GLN A 15 3.604 -19.220 -6.209 1.00 45.15 N ATOM 258 CA GLN A 15 3.715 -18.485 -7.458 1.00 41.13 C ATOM 259 C GLN A 15 3.788 -16.982 -7.184 1.00 53.54 C ATOM 260 O GLN A 15 4.240 -16.214 -8.034 1.00 72.22 O ATOM 261 CB GLN A 15 2.550 -18.816 -8.393 1.00 53.44 C ATOM 262 CG GLN A 15 1.419 -17.798 -8.241 1.00 54.20 C ATOM 263 CD GLN A 15 0.238 -18.150 -9.149 1.00 14.33 C ATOM 264 OE1 GLN A 15 -0.880 -18.359 -8.704 1.00 75.04 O ATOM 265 NE2 GLN A 15 0.547 -18.205 -10.441 1.00 10.33 N ATOM 0 H GLN A 15 2.809 -19.857 -6.157 1.00 45.15 H new ATOM 0 HA GLN A 15 4.636 -18.789 -7.956 1.00 41.13 H new ATOM 0 HB2 GLN A 15 2.899 -18.826 -9.426 1.00 53.44 H new ATOM 0 HB3 GLN A 15 2.176 -19.816 -8.174 1.00 53.44 H new ATOM 0 HG2 GLN A 15 1.088 -17.769 -7.203 1.00 54.20 H new ATOM 0 HG3 GLN A 15 1.786 -16.802 -8.486 1.00 54.20 H new ATOM 0 HE21 GLN A 15 1.503 -18.019 -10.745 1.00 10.33 H new ATOM 0 HE22 GLN A 15 -0.172 -18.433 -11.128 1.00 10.33 H new ATOM 274 N ARG A 16 3.337 -16.606 -5.997 1.00 3.03 N ATOM 275 CA ARG A 16 3.348 -15.207 -5.601 1.00 14.35 C ATOM 276 C ARG A 16 4.706 -14.834 -5.005 1.00 53.10 C ATOM 277 O ARG A 16 5.289 -13.814 -5.369 1.00 3.11 O ATOM 278 CB ARG A 16 2.250 -14.918 -4.576 1.00 24.11 C ATOM 279 CG ARG A 16 1.710 -13.496 -4.735 1.00 72.42 C ATOM 280 CD ARG A 16 2.847 -12.504 -4.992 1.00 11.40 C ATOM 281 NE ARG A 16 3.739 -12.441 -3.813 1.00 51.11 N ATOM 282 CZ ARG A 16 4.841 -11.664 -3.738 1.00 12.01 C ATOM 283 NH1 ARG A 16 5.194 -10.876 -4.775 1.00 15.11 N ATOM 284 NH2 ARG A 16 5.567 -11.687 -2.636 1.00 73.11 N ATOM 0 H ARG A 16 2.962 -17.245 -5.296 1.00 3.03 H new ATOM 0 HA ARG A 16 3.164 -14.608 -6.493 1.00 14.35 H new ATOM 0 HB2 ARG A 16 1.438 -15.635 -4.697 1.00 24.11 H new ATOM 0 HB3 ARG A 16 2.645 -15.050 -3.569 1.00 24.11 H new ATOM 0 HG2 ARG A 16 1.000 -13.463 -5.561 1.00 72.42 H new ATOM 0 HG3 ARG A 16 1.166 -13.207 -3.836 1.00 72.42 H new ATOM 0 HD2 ARG A 16 3.414 -12.808 -5.872 1.00 11.40 H new ATOM 0 HD3 ARG A 16 2.438 -11.516 -5.202 1.00 11.40 H new ATOM 0 HE ARG A 16 3.507 -13.021 -3.006 1.00 51.11 H new ATOM 0 HH11 ARG A 16 4.627 -10.864 -5.623 1.00 15.11 H new ATOM 0 HH12 ARG A 16 6.028 -10.292 -4.711 1.00 15.11 H new ATOM 0 HH21 ARG A 16 5.293 -12.286 -1.857 1.00 73.11 H new ATOM 0 HH22 ARG A 16 6.402 -11.106 -2.563 1.00 73.11 H new ATOM 297 N VAL A 17 5.170 -15.679 -4.097 1.00 23.21 N ATOM 298 CA VAL A 17 6.449 -15.450 -3.446 1.00 72.24 C ATOM 299 C VAL A 17 7.525 -15.225 -4.510 1.00 12.31 C ATOM 300 O VAL A 17 8.410 -14.389 -4.335 1.00 41.11 O ATOM 301 CB VAL A 17 6.773 -16.613 -2.506 1.00 61.12 C ATOM 302 CG1 VAL A 17 8.189 -16.483 -1.941 1.00 70.24 C ATOM 303 CG2 VAL A 17 5.741 -16.712 -1.380 1.00 4.10 C ATOM 0 H VAL A 17 4.683 -16.524 -3.796 1.00 23.21 H new ATOM 0 HA VAL A 17 6.408 -14.552 -2.829 1.00 72.24 H new ATOM 0 HB VAL A 17 6.726 -17.535 -3.086 1.00 61.12 H new ATOM 0 HG11 VAL A 17 8.394 -17.322 -1.276 1.00 70.24 H new ATOM 0 HG12 VAL A 17 8.909 -16.484 -2.759 1.00 70.24 H new ATOM 0 HG13 VAL A 17 8.274 -15.550 -1.384 1.00 70.24 H new ATOM 0 HG21 VAL A 17 5.995 -17.547 -0.726 1.00 4.10 H new ATOM 0 HG22 VAL A 17 5.741 -15.787 -0.804 1.00 4.10 H new ATOM 0 HG23 VAL A 17 4.751 -16.873 -1.807 1.00 4.10 H new ATOM 313 N GLU A 18 7.413 -15.985 -5.590 1.00 25.41 N ATOM 314 CA GLU A 18 8.365 -15.879 -6.682 1.00 5.04 C ATOM 315 C GLU A 18 8.226 -14.522 -7.376 1.00 14.13 C ATOM 316 O GLU A 18 9.223 -13.856 -7.652 1.00 42.13 O ATOM 317 CB GLU A 18 8.187 -17.025 -7.679 1.00 74.55 C ATOM 318 CG GLU A 18 9.459 -17.240 -8.501 1.00 43.23 C ATOM 319 CD GLU A 18 9.291 -18.407 -9.475 1.00 34.23 C ATOM 320 OE1 GLU A 18 8.165 -18.705 -9.898 1.00 42.32 O ATOM 321 OE2 GLU A 18 10.385 -19.014 -9.794 1.00 63.31 O ATOM 0 H GLU A 18 6.677 -16.677 -5.732 1.00 25.41 H new ATOM 0 HA GLU A 18 9.371 -15.954 -6.270 1.00 5.04 H new ATOM 0 HB2 GLU A 18 7.936 -17.941 -7.144 1.00 74.55 H new ATOM 0 HB3 GLU A 18 7.352 -16.806 -8.345 1.00 74.55 H new ATOM 0 HG2 GLU A 18 9.697 -16.331 -9.054 1.00 43.23 H new ATOM 0 HG3 GLU A 18 10.299 -17.436 -7.834 1.00 43.23 H new ATOM 329 N ASP A 19 6.981 -14.153 -7.641 1.00 32.14 N ATOM 330 CA ASP A 19 6.698 -12.889 -8.298 1.00 24.24 C ATOM 331 C ASP A 19 7.604 -11.803 -7.715 1.00 51.31 C ATOM 332 O ASP A 19 8.108 -10.950 -8.446 1.00 42.23 O ATOM 333 CB ASP A 19 5.246 -12.464 -8.074 1.00 51.12 C ATOM 334 CG ASP A 19 4.703 -11.454 -9.088 1.00 40.34 C ATOM 335 OD1 ASP A 19 3.836 -11.779 -9.911 1.00 21.13 O ATOM 336 OD2 ASP A 19 5.216 -10.273 -9.007 1.00 21.13 O ATOM 0 H ASP A 19 6.157 -14.708 -7.412 1.00 32.14 H new ATOM 0 HA ASP A 19 6.875 -13.017 -9.366 1.00 24.24 H new ATOM 0 HB2 ASP A 19 4.616 -13.353 -8.096 1.00 51.12 H new ATOM 0 HB3 ASP A 19 5.159 -12.036 -7.075 1.00 51.12 H new ATOM 342 N VAL A 20 7.785 -11.867 -6.405 1.00 71.23 N ATOM 343 CA VAL A 20 8.621 -10.900 -5.715 1.00 54.42 C ATOM 344 C VAL A 20 10.088 -11.163 -6.060 1.00 35.23 C ATOM 345 O VAL A 20 10.831 -10.236 -6.380 1.00 13.24 O ATOM 346 CB VAL A 20 8.343 -10.945 -4.211 1.00 4.51 C ATOM 347 CG1 VAL A 20 9.491 -11.624 -3.462 1.00 23.14 C ATOM 348 CG2 VAL A 20 8.082 -9.543 -3.659 1.00 35.51 C ATOM 0 H VAL A 20 7.366 -12.575 -5.802 1.00 71.23 H new ATOM 0 HA VAL A 20 8.386 -9.888 -6.045 1.00 54.42 H new ATOM 0 HB VAL A 20 7.443 -11.539 -4.055 1.00 4.51 H new ATOM 0 HG11 VAL A 20 9.269 -11.643 -2.395 1.00 23.14 H new ATOM 0 HG12 VAL A 20 9.610 -12.644 -3.826 1.00 23.14 H new ATOM 0 HG13 VAL A 20 10.414 -11.069 -3.630 1.00 23.14 H new ATOM 0 HG21 VAL A 20 7.887 -9.604 -2.588 1.00 35.51 H new ATOM 0 HG22 VAL A 20 8.955 -8.915 -3.834 1.00 35.51 H new ATOM 0 HG23 VAL A 20 7.217 -9.110 -4.161 1.00 35.51 H new ATOM 358 N ARG A 21 10.463 -12.432 -5.983 1.00 73.35 N ATOM 359 CA ARG A 21 11.828 -12.829 -6.283 1.00 12.33 C ATOM 360 C ARG A 21 12.332 -12.096 -7.528 1.00 3.32 C ATOM 361 O ARG A 21 13.533 -11.879 -7.681 1.00 20.04 O ATOM 362 CB ARG A 21 11.925 -14.338 -6.515 1.00 32.23 C ATOM 363 CG ARG A 21 13.377 -14.812 -6.438 1.00 24.21 C ATOM 364 CD ARG A 21 13.630 -15.963 -7.415 1.00 65.53 C ATOM 365 NE ARG A 21 15.083 -16.208 -7.543 1.00 31.50 N ATOM 366 CZ ARG A 21 15.841 -16.786 -6.587 1.00 64.23 C ATOM 367 NH1 ARG A 21 15.288 -17.184 -5.421 1.00 64.10 N ATOM 368 NH2 ARG A 21 17.131 -16.955 -6.807 1.00 2.31 N ATOM 0 H ARG A 21 9.845 -13.198 -5.717 1.00 73.35 H new ATOM 0 HA ARG A 21 12.446 -12.564 -5.425 1.00 12.33 H new ATOM 0 HB2 ARG A 21 11.327 -14.863 -5.770 1.00 32.23 H new ATOM 0 HB3 ARG A 21 11.509 -14.587 -7.491 1.00 32.23 H new ATOM 0 HG2 ARG A 21 14.047 -13.983 -6.666 1.00 24.21 H new ATOM 0 HG3 ARG A 21 13.604 -15.136 -5.422 1.00 24.21 H new ATOM 0 HD2 ARG A 21 13.130 -16.866 -7.064 1.00 65.53 H new ATOM 0 HD3 ARG A 21 13.206 -15.723 -8.390 1.00 65.53 H new ATOM 0 HE ARG A 21 15.541 -15.922 -8.408 1.00 31.50 H new ATOM 0 HH11 ARG A 21 14.290 -17.049 -5.257 1.00 64.10 H new ATOM 0 HH12 ARG A 21 15.868 -17.620 -4.704 1.00 64.10 H new ATOM 0 HH21 ARG A 21 17.542 -16.651 -7.689 1.00 2.31 H new ATOM 0 HH22 ARG A 21 17.717 -17.390 -6.095 1.00 2.31 H new ATOM 381 N LEU A 22 11.389 -11.735 -8.386 1.00 21.23 N ATOM 382 CA LEU A 22 11.723 -11.030 -9.612 1.00 44.20 C ATOM 383 C LEU A 22 12.169 -9.607 -9.273 1.00 44.01 C ATOM 384 O LEU A 22 13.258 -9.186 -9.659 1.00 64.33 O ATOM 385 CB LEU A 22 10.556 -11.091 -10.599 1.00 45.15 C ATOM 386 CG LEU A 22 10.432 -12.381 -11.414 1.00 0.33 C ATOM 387 CD1 LEU A 22 10.880 -12.161 -12.860 1.00 14.41 C ATOM 388 CD2 LEU A 22 11.193 -13.526 -10.746 1.00 33.03 C ATOM 0 H LEU A 22 10.394 -11.917 -8.256 1.00 21.23 H new ATOM 0 HA LEU A 22 12.561 -11.514 -10.114 1.00 44.20 H new ATOM 0 HB2 LEU A 22 9.629 -10.945 -10.044 1.00 45.15 H new ATOM 0 HB3 LEU A 22 10.648 -10.255 -11.292 1.00 45.15 H new ATOM 0 HG LEU A 22 9.381 -12.667 -11.443 1.00 0.33 H new ATOM 0 HD11 LEU A 22 10.782 -13.093 -13.417 1.00 14.41 H new ATOM 0 HD12 LEU A 22 10.257 -11.395 -13.321 1.00 14.41 H new ATOM 0 HD13 LEU A 22 11.921 -11.838 -12.873 1.00 14.41 H new ATOM 0 HD21 LEU A 22 11.089 -14.431 -11.345 1.00 33.03 H new ATOM 0 HD22 LEU A 22 12.248 -13.264 -10.666 1.00 33.03 H new ATOM 0 HD23 LEU A 22 10.786 -13.701 -9.750 1.00 33.03 H new ATOM 400 N ILE A 23 11.304 -8.906 -8.555 1.00 72.43 N ATOM 401 CA ILE A 23 11.595 -7.538 -8.159 1.00 73.03 C ATOM 402 C ILE A 23 12.798 -7.531 -7.214 1.00 50.41 C ATOM 403 O ILE A 23 13.436 -6.496 -7.024 1.00 52.54 O ATOM 404 CB ILE A 23 10.348 -6.873 -7.573 1.00 1.30 C ATOM 405 CG1 ILE A 23 9.961 -5.629 -8.374 1.00 62.53 C ATOM 406 CG2 ILE A 23 10.540 -6.561 -6.087 1.00 72.53 C ATOM 407 CD1 ILE A 23 9.424 -6.011 -9.755 1.00 24.34 C ATOM 0 H ILE A 23 10.402 -9.259 -8.237 1.00 72.43 H new ATOM 0 HA ILE A 23 11.868 -6.939 -9.028 1.00 73.03 H new ATOM 0 HB ILE A 23 9.519 -7.576 -7.650 1.00 1.30 H new ATOM 0 HG12 ILE A 23 9.205 -5.062 -7.830 1.00 62.53 H new ATOM 0 HG13 ILE A 23 10.829 -4.979 -8.484 1.00 62.53 H new ATOM 0 HG21 ILE A 23 9.639 -6.089 -5.695 1.00 72.53 H new ATOM 0 HG22 ILE A 23 10.731 -7.486 -5.543 1.00 72.53 H new ATOM 0 HG23 ILE A 23 11.387 -5.886 -5.963 1.00 72.53 H new ATOM 0 HD11 ILE A 23 9.156 -5.108 -10.304 1.00 24.34 H new ATOM 0 HD12 ILE A 23 10.191 -6.556 -10.305 1.00 24.34 H new ATOM 0 HD13 ILE A 23 8.542 -6.641 -9.641 1.00 24.34 H new ATOM 419 N ARG A 24 13.072 -8.696 -6.648 1.00 12.34 N ATOM 420 CA ARG A 24 14.188 -8.836 -5.727 1.00 45.23 C ATOM 421 C ARG A 24 15.506 -8.929 -6.499 1.00 1.14 C ATOM 422 O ARG A 24 16.541 -8.466 -6.025 1.00 74.04 O ATOM 423 CB ARG A 24 14.028 -10.082 -4.854 1.00 34.14 C ATOM 424 CG ARG A 24 13.479 -9.718 -3.472 1.00 13.13 C ATOM 425 CD ARG A 24 14.433 -8.774 -2.736 1.00 0.34 C ATOM 426 NE ARG A 24 14.215 -8.873 -1.275 1.00 52.12 N ATOM 427 CZ ARG A 24 15.089 -8.429 -0.348 1.00 54.35 C ATOM 428 NH1 ARG A 24 16.251 -7.852 -0.722 1.00 71.43 N ATOM 429 NH2 ARG A 24 14.792 -8.569 0.931 1.00 1.01 N ATOM 0 H ARG A 24 12.541 -9.552 -6.809 1.00 12.34 H new ATOM 0 HA ARG A 24 14.200 -7.955 -5.085 1.00 45.23 H new ATOM 0 HB2 ARG A 24 13.356 -10.788 -5.342 1.00 34.14 H new ATOM 0 HB3 ARG A 24 14.991 -10.581 -4.747 1.00 34.14 H new ATOM 0 HG2 ARG A 24 12.503 -9.245 -3.577 1.00 13.13 H new ATOM 0 HG3 ARG A 24 13.333 -10.624 -2.884 1.00 13.13 H new ATOM 0 HD2 ARG A 24 15.466 -9.027 -2.976 1.00 0.34 H new ATOM 0 HD3 ARG A 24 14.271 -7.748 -3.068 1.00 0.34 H new ATOM 0 HE ARG A 24 13.350 -9.304 -0.949 1.00 52.12 H new ATOM 0 HH11 ARG A 24 16.474 -7.749 -1.712 1.00 71.43 H new ATOM 0 HH12 ARG A 24 16.906 -7.519 -0.015 1.00 71.43 H new ATOM 0 HH21 ARG A 24 13.913 -9.007 1.205 1.00 1.01 H new ATOM 0 HH22 ARG A 24 15.442 -8.239 1.645 1.00 1.01 H new ATOM 442 N GLU A 25 15.423 -9.531 -7.677 1.00 75.54 N ATOM 443 CA GLU A 25 16.596 -9.690 -8.520 1.00 71.24 C ATOM 444 C GLU A 25 16.624 -8.606 -9.600 1.00 4.54 C ATOM 445 O GLU A 25 17.621 -8.452 -10.303 1.00 51.11 O ATOM 446 CB GLU A 25 16.637 -11.086 -9.144 1.00 21.24 C ATOM 447 CG GLU A 25 15.478 -11.284 -10.122 1.00 65.42 C ATOM 448 CD GLU A 25 15.877 -12.223 -11.262 1.00 43.43 C ATOM 449 OE1 GLU A 25 16.041 -13.433 -11.040 1.00 42.04 O ATOM 450 OE2 GLU A 25 16.015 -11.657 -12.413 1.00 50.21 O ATOM 0 H GLU A 25 14.562 -9.914 -8.067 1.00 75.54 H new ATOM 0 HA GLU A 25 17.484 -9.579 -7.898 1.00 71.24 H new ATOM 0 HB2 GLU A 25 17.584 -11.228 -9.664 1.00 21.24 H new ATOM 0 HB3 GLU A 25 16.588 -11.841 -8.359 1.00 21.24 H new ATOM 0 HG2 GLU A 25 14.617 -11.693 -9.593 1.00 65.42 H new ATOM 0 HG3 GLU A 25 15.173 -10.320 -10.530 1.00 65.42 H new ATOM 458 N GLN A 26 15.518 -7.882 -9.696 1.00 42.22 N ATOM 459 CA GLN A 26 15.405 -6.818 -10.678 1.00 1.04 C ATOM 460 C GLN A 26 15.488 -5.453 -9.993 1.00 74.23 C ATOM 461 O GLN A 26 16.277 -4.599 -10.395 1.00 72.32 O ATOM 462 CB GLN A 26 14.110 -6.949 -11.482 1.00 4.32 C ATOM 463 CG GLN A 26 14.134 -8.203 -12.359 1.00 11.50 C ATOM 464 CD GLN A 26 13.070 -8.125 -13.456 1.00 70.32 C ATOM 465 OE1 GLN A 26 12.738 -7.065 -13.960 1.00 21.42 O ATOM 466 NE2 GLN A 26 12.558 -9.304 -13.798 1.00 14.23 N ATOM 0 H GLN A 26 14.693 -8.012 -9.110 1.00 42.22 H new ATOM 0 HA GLN A 26 16.238 -6.905 -11.376 1.00 1.04 H new ATOM 0 HB2 GLN A 26 13.259 -6.992 -10.803 1.00 4.32 H new ATOM 0 HB3 GLN A 26 13.975 -6.066 -12.107 1.00 4.32 H new ATOM 0 HG2 GLN A 26 15.120 -8.317 -12.811 1.00 11.50 H new ATOM 0 HG3 GLN A 26 13.962 -9.086 -11.743 1.00 11.50 H new ATOM 0 HE21 GLN A 26 12.881 -10.154 -13.336 1.00 14.23 H new ATOM 0 HE22 GLN A 26 11.842 -9.358 -14.523 1.00 14.23 H new ATOM 475 N HIS A 27 14.663 -5.289 -8.969 1.00 51.23 N ATOM 476 CA HIS A 27 14.633 -4.041 -8.224 1.00 52.43 C ATOM 477 C HIS A 27 14.815 -4.330 -6.732 1.00 72.33 C ATOM 478 O HIS A 27 13.866 -4.234 -5.957 1.00 1.33 O ATOM 479 CB HIS A 27 13.353 -3.259 -8.524 1.00 21.24 C ATOM 480 CG HIS A 27 13.243 -2.787 -9.954 1.00 74.33 C ATOM 481 ND1 HIS A 27 13.487 -1.479 -10.333 1.00 31.43 N ATOM 482 CD2 HIS A 27 12.914 -3.463 -11.093 1.00 21.41 C ATOM 483 CE1 HIS A 27 13.309 -1.382 -11.642 1.00 74.54 C ATOM 484 NE2 HIS A 27 12.953 -2.613 -12.111 1.00 22.24 N ATOM 0 H HIS A 27 14.010 -5.999 -8.638 1.00 51.23 H new ATOM 0 HA HIS A 27 15.460 -3.405 -8.540 1.00 52.43 H new ATOM 0 HB2 HIS A 27 12.493 -3.887 -8.292 1.00 21.24 H new ATOM 0 HB3 HIS A 27 13.304 -2.394 -7.862 1.00 21.24 H new ATOM 0 HD2 HIS A 27 12.664 -4.512 -11.155 1.00 21.41 H new ATOM 0 HE1 HIS A 27 13.425 -0.486 -12.234 1.00 74.54 H new ATOM 0 HE2 HIS A 27 12.750 -2.842 -13.084 1.00 22.24 H new ATOM 492 N PRO A 28 16.074 -4.689 -6.367 1.00 55.03 N ATOM 493 CA PRO A 28 16.394 -4.993 -4.982 1.00 41.14 C ATOM 494 C PRO A 28 16.478 -3.715 -4.145 1.00 41.12 C ATOM 495 O PRO A 28 16.288 -3.750 -2.931 1.00 74.04 O ATOM 496 CB PRO A 28 17.709 -5.753 -5.039 1.00 22.43 C ATOM 497 CG PRO A 28 18.311 -5.444 -6.400 1.00 40.31 C ATOM 498 CD PRO A 28 17.225 -4.815 -7.257 1.00 2.23 C ATOM 0 HA PRO A 28 15.624 -5.592 -4.495 1.00 41.14 H new ATOM 0 HB2 PRO A 28 18.376 -5.439 -4.236 1.00 22.43 H new ATOM 0 HB3 PRO A 28 17.547 -6.824 -4.918 1.00 22.43 H new ATOM 0 HG2 PRO A 28 19.158 -4.765 -6.298 1.00 40.31 H new ATOM 0 HG3 PRO A 28 18.687 -6.354 -6.867 1.00 40.31 H new ATOM 0 HD2 PRO A 28 17.537 -3.843 -7.641 1.00 2.23 H new ATOM 0 HD3 PRO A 28 16.991 -5.438 -8.120 1.00 2.23 H new ATOM 506 N THR A 29 16.763 -2.616 -4.829 1.00 63.23 N ATOM 507 CA THR A 29 16.874 -1.329 -4.163 1.00 35.40 C ATOM 508 C THR A 29 15.495 -0.682 -4.020 1.00 2.51 C ATOM 509 O THR A 29 15.390 0.492 -3.668 1.00 3.01 O ATOM 510 CB THR A 29 17.867 -0.474 -4.952 1.00 72.21 C ATOM 511 OG1 THR A 29 17.431 -0.591 -6.304 1.00 20.14 O ATOM 512 CG2 THR A 29 19.276 -1.071 -4.963 1.00 4.31 C ATOM 0 H THR A 29 16.920 -2.590 -5.836 1.00 63.23 H new ATOM 0 HA THR A 29 17.253 -1.440 -3.147 1.00 35.40 H new ATOM 0 HB THR A 29 17.900 0.528 -4.525 1.00 72.21 H new ATOM 0 HG1 THR A 29 18.020 -0.065 -6.884 1.00 20.14 H new ATOM 0 HG21 THR A 29 19.941 -0.425 -5.536 1.00 4.31 H new ATOM 0 HG22 THR A 29 19.644 -1.154 -3.940 1.00 4.31 H new ATOM 0 HG23 THR A 29 19.248 -2.060 -5.420 1.00 4.31 H new ATOM 520 N LYS A 30 14.472 -1.476 -4.301 1.00 73.12 N ATOM 521 CA LYS A 30 13.104 -0.996 -4.207 1.00 13.34 C ATOM 522 C LYS A 30 12.305 -1.921 -3.287 1.00 74.25 C ATOM 523 O LYS A 30 12.694 -3.065 -3.060 1.00 52.32 O ATOM 524 CB LYS A 30 12.494 -0.840 -5.602 1.00 53.11 C ATOM 525 CG LYS A 30 13.431 -0.056 -6.525 1.00 74.24 C ATOM 526 CD LYS A 30 13.237 1.451 -6.351 1.00 31.34 C ATOM 527 CE LYS A 30 13.293 2.170 -7.700 1.00 62.14 C ATOM 528 NZ LYS A 30 12.555 3.451 -7.636 1.00 64.44 N ATOM 0 H LYS A 30 14.563 -2.449 -4.594 1.00 73.12 H new ATOM 0 HA LYS A 30 13.079 -0.002 -3.760 1.00 13.34 H new ATOM 0 HB2 LYS A 30 12.296 -1.823 -6.029 1.00 53.11 H new ATOM 0 HB3 LYS A 30 11.536 -0.326 -5.529 1.00 53.11 H new ATOM 0 HG2 LYS A 30 14.466 -0.320 -6.308 1.00 74.24 H new ATOM 0 HG3 LYS A 30 13.242 -0.333 -7.562 1.00 74.24 H new ATOM 0 HD2 LYS A 30 12.278 1.645 -5.871 1.00 31.34 H new ATOM 0 HD3 LYS A 30 14.009 1.847 -5.691 1.00 31.34 H new ATOM 0 HE2 LYS A 30 14.331 2.355 -7.977 1.00 62.14 H new ATOM 0 HE3 LYS A 30 12.864 1.535 -8.475 1.00 62.14 H new ATOM 0 HZ1 LYS A 30 12.951 4.115 -8.331 1.00 64.44 H new ATOM 0 HZ2 LYS A 30 11.551 3.284 -7.850 1.00 64.44 H new ATOM 0 HZ3 LYS A 30 12.643 3.855 -6.682 1.00 64.44 H new ATOM 541 N ILE A 31 11.202 -1.389 -2.781 1.00 11.23 N ATOM 542 CA ILE A 31 10.344 -2.152 -1.889 1.00 34.53 C ATOM 543 C ILE A 31 9.033 -2.479 -2.606 1.00 61.33 C ATOM 544 O ILE A 31 8.330 -1.579 -3.063 1.00 14.43 O ATOM 545 CB ILE A 31 10.153 -1.411 -0.564 1.00 2.23 C ATOM 546 CG1 ILE A 31 11.495 -1.179 0.133 1.00 63.34 C ATOM 547 CG2 ILE A 31 9.158 -2.146 0.337 1.00 3.42 C ATOM 548 CD1 ILE A 31 12.031 -2.479 0.736 1.00 43.44 C ATOM 0 H ILE A 31 10.882 -0.439 -2.971 1.00 11.23 H new ATOM 0 HA ILE A 31 10.812 -3.102 -1.631 1.00 34.53 H new ATOM 0 HB ILE A 31 9.729 -0.430 -0.779 1.00 2.23 H new ATOM 0 HG12 ILE A 31 12.216 -0.781 -0.581 1.00 63.34 H new ATOM 0 HG13 ILE A 31 11.377 -0.431 0.917 1.00 63.34 H new ATOM 0 HG21 ILE A 31 9.041 -1.598 1.272 1.00 3.42 H new ATOM 0 HG22 ILE A 31 8.194 -2.215 -0.166 1.00 3.42 H new ATOM 0 HG23 ILE A 31 9.530 -3.149 0.548 1.00 3.42 H new ATOM 0 HD11 ILE A 31 12.986 -2.287 1.225 1.00 43.44 H new ATOM 0 HD12 ILE A 31 11.319 -2.862 1.467 1.00 43.44 H new ATOM 0 HD13 ILE A 31 12.171 -3.216 -0.055 1.00 43.44 H new ATOM 560 N PRO A 32 8.735 -3.804 -2.685 1.00 41.13 N ATOM 561 CA PRO A 32 7.521 -4.260 -3.340 1.00 31.23 C ATOM 562 C PRO A 32 6.294 -4.002 -2.461 1.00 60.01 C ATOM 563 O PRO A 32 6.343 -4.203 -1.249 1.00 33.01 O ATOM 564 CB PRO A 32 7.754 -5.737 -3.615 1.00 4.31 C ATOM 565 CG PRO A 32 8.889 -6.159 -2.696 1.00 32.45 C ATOM 566 CD PRO A 32 9.544 -4.898 -2.157 1.00 10.22 C ATOM 0 HA PRO A 32 7.315 -3.723 -4.266 1.00 31.23 H new ATOM 0 HB2 PRO A 32 6.854 -6.318 -3.416 1.00 4.31 H new ATOM 0 HB3 PRO A 32 8.016 -5.903 -4.660 1.00 4.31 H new ATOM 0 HG2 PRO A 32 8.510 -6.772 -1.878 1.00 32.45 H new ATOM 0 HG3 PRO A 32 9.615 -6.764 -3.239 1.00 32.45 H new ATOM 0 HD2 PRO A 32 9.554 -4.892 -1.067 1.00 10.22 H new ATOM 0 HD3 PRO A 32 10.580 -4.819 -2.486 1.00 10.22 H new ATOM 574 N VAL A 33 5.225 -3.561 -3.108 1.00 12.13 N ATOM 575 CA VAL A 33 3.989 -3.273 -2.400 1.00 24.23 C ATOM 576 C VAL A 33 2.801 -3.596 -3.309 1.00 4.32 C ATOM 577 O VAL A 33 2.956 -3.705 -4.524 1.00 1.31 O ATOM 578 CB VAL A 33 3.991 -1.824 -1.911 1.00 41.31 C ATOM 579 CG1 VAL A 33 5.385 -1.408 -1.436 1.00 5.21 C ATOM 580 CG2 VAL A 33 3.478 -0.877 -2.997 1.00 4.04 C ATOM 0 H VAL A 33 5.189 -3.396 -4.114 1.00 12.13 H new ATOM 0 HA VAL A 33 3.901 -3.900 -1.513 1.00 24.23 H new ATOM 0 HB VAL A 33 3.312 -1.757 -1.061 1.00 41.31 H new ATOM 0 HG11 VAL A 33 5.359 -0.374 -1.094 1.00 5.21 H new ATOM 0 HG12 VAL A 33 5.698 -2.054 -0.616 1.00 5.21 H new ATOM 0 HG13 VAL A 33 6.093 -1.500 -2.260 1.00 5.21 H new ATOM 0 HG21 VAL A 33 3.490 0.147 -2.623 1.00 4.04 H new ATOM 0 HG22 VAL A 33 4.119 -0.950 -3.876 1.00 4.04 H new ATOM 0 HG23 VAL A 33 2.459 -1.152 -3.268 1.00 4.04 H new ATOM 590 N ILE A 34 1.642 -3.739 -2.683 1.00 53.34 N ATOM 591 CA ILE A 34 0.427 -4.047 -3.420 1.00 0.30 C ATOM 592 C ILE A 34 -0.736 -3.240 -2.838 1.00 63.12 C ATOM 593 O ILE A 34 -1.355 -3.654 -1.860 1.00 30.23 O ATOM 594 CB ILE A 34 0.180 -5.557 -3.437 1.00 40.20 C ATOM 595 CG1 ILE A 34 1.229 -6.275 -4.289 1.00 35.11 C ATOM 596 CG2 ILE A 34 -1.246 -5.874 -3.895 1.00 40.24 C ATOM 597 CD1 ILE A 34 0.781 -6.363 -5.750 1.00 42.24 C ATOM 0 H ILE A 34 1.518 -3.647 -1.675 1.00 53.34 H new ATOM 0 HA ILE A 34 0.529 -3.752 -4.464 1.00 0.30 H new ATOM 0 HB ILE A 34 0.282 -5.931 -2.418 1.00 40.20 H new ATOM 0 HG12 ILE A 34 2.179 -5.744 -4.227 1.00 35.11 H new ATOM 0 HG13 ILE A 34 1.398 -7.277 -3.896 1.00 35.11 H new ATOM 0 HG21 ILE A 34 -1.396 -6.954 -3.898 1.00 40.24 H new ATOM 0 HG22 ILE A 34 -1.959 -5.411 -3.213 1.00 40.24 H new ATOM 0 HG23 ILE A 34 -1.400 -5.483 -4.901 1.00 40.24 H new ATOM 0 HD11 ILE A 34 1.544 -6.878 -6.334 1.00 42.24 H new ATOM 0 HD12 ILE A 34 -0.156 -6.916 -5.810 1.00 42.24 H new ATOM 0 HD13 ILE A 34 0.636 -5.358 -6.147 1.00 42.24 H new ATOM 609 N ILE A 35 -0.995 -2.103 -3.466 1.00 13.32 N ATOM 610 CA ILE A 35 -2.072 -1.233 -3.022 1.00 43.02 C ATOM 611 C ILE A 35 -3.375 -1.653 -3.706 1.00 62.52 C ATOM 612 O ILE A 35 -3.404 -1.864 -4.917 1.00 31.22 O ATOM 613 CB ILE A 35 -1.705 0.234 -3.250 1.00 14.43 C ATOM 614 CG1 ILE A 35 -0.402 0.591 -2.530 1.00 62.53 C ATOM 615 CG2 ILE A 35 -2.856 1.158 -2.843 1.00 64.40 C ATOM 616 CD1 ILE A 35 0.469 1.505 -3.393 1.00 12.23 C ATOM 0 H ILE A 35 -0.479 -1.764 -4.278 1.00 13.32 H new ATOM 0 HA ILE A 35 -2.226 -1.336 -1.948 1.00 43.02 H new ATOM 0 HB ILE A 35 -1.536 0.382 -4.317 1.00 14.43 H new ATOM 0 HG12 ILE A 35 -0.628 1.085 -1.585 1.00 62.53 H new ATOM 0 HG13 ILE A 35 0.147 -0.320 -2.291 1.00 62.53 H new ATOM 0 HG21 ILE A 35 -2.568 2.195 -3.015 1.00 64.40 H new ATOM 0 HG22 ILE A 35 -3.739 0.923 -3.437 1.00 64.40 H new ATOM 0 HG23 ILE A 35 -3.081 1.015 -1.786 1.00 64.40 H new ATOM 0 HD11 ILE A 35 1.388 1.743 -2.858 1.00 12.23 H new ATOM 0 HD12 ILE A 35 0.714 0.999 -4.327 1.00 12.23 H new ATOM 0 HD13 ILE A 35 -0.073 2.425 -3.610 1.00 12.23 H new ATOM 628 N GLU A 36 -4.421 -1.763 -2.900 1.00 14.05 N ATOM 629 CA GLU A 36 -5.724 -2.154 -3.412 1.00 10.15 C ATOM 630 C GLU A 36 -6.812 -1.243 -2.845 1.00 32.02 C ATOM 631 O GLU A 36 -6.553 -0.444 -1.945 1.00 33.43 O ATOM 632 CB GLU A 36 -6.018 -3.622 -3.097 1.00 14.40 C ATOM 633 CG GLU A 36 -4.770 -4.485 -3.290 1.00 64.41 C ATOM 634 CD GLU A 36 -4.113 -4.809 -1.946 1.00 73.35 C ATOM 635 OE1 GLU A 36 -3.749 -3.890 -1.197 1.00 11.42 O ATOM 636 OE2 GLU A 36 -3.988 -6.067 -1.689 1.00 2.44 O ATOM 0 H GLU A 36 -4.393 -1.588 -1.896 1.00 14.05 H new ATOM 0 HA GLU A 36 -5.715 -2.044 -4.496 1.00 10.15 H new ATOM 0 HB2 GLU A 36 -6.372 -3.713 -2.070 1.00 14.40 H new ATOM 0 HB3 GLU A 36 -6.818 -3.983 -3.744 1.00 14.40 H new ATOM 0 HG2 GLU A 36 -5.039 -5.410 -3.800 1.00 64.41 H new ATOM 0 HG3 GLU A 36 -4.058 -3.963 -3.930 1.00 64.41 H new ATOM 644 N ARG A 37 -8.009 -1.391 -3.394 1.00 33.23 N ATOM 645 CA ARG A 37 -9.140 -0.591 -2.953 1.00 73.24 C ATOM 646 C ARG A 37 -9.740 -1.179 -1.674 1.00 64.52 C ATOM 647 O ARG A 37 -9.877 -2.395 -1.549 1.00 12.04 O ATOM 648 CB ARG A 37 -10.222 -0.526 -4.032 1.00 51.13 C ATOM 649 CG ARG A 37 -10.959 -1.861 -4.151 1.00 1.41 C ATOM 650 CD ARG A 37 -11.291 -2.177 -5.610 1.00 24.11 C ATOM 651 NE ARG A 37 -12.758 -2.264 -5.789 1.00 34.33 N ATOM 652 CZ ARG A 37 -13.358 -2.889 -6.823 1.00 70.24 C ATOM 653 NH1 ARG A 37 -12.622 -3.490 -7.782 1.00 72.20 N ATOM 654 NH2 ARG A 37 -14.677 -2.907 -6.883 1.00 44.03 N ATOM 0 H ARG A 37 -8.221 -2.053 -4.140 1.00 33.23 H new ATOM 0 HA ARG A 37 -8.776 0.418 -2.757 1.00 73.24 H new ATOM 0 HB2 ARG A 37 -10.932 0.265 -3.792 1.00 51.13 H new ATOM 0 HB3 ARG A 37 -9.770 -0.269 -4.990 1.00 51.13 H new ATOM 0 HG2 ARG A 37 -10.344 -2.658 -3.734 1.00 1.41 H new ATOM 0 HG3 ARG A 37 -11.877 -1.827 -3.565 1.00 1.41 H new ATOM 0 HD2 ARG A 37 -10.882 -1.403 -6.260 1.00 24.11 H new ATOM 0 HD3 ARG A 37 -10.824 -3.118 -5.902 1.00 24.11 H new ATOM 0 HE ARG A 37 -13.352 -1.824 -5.087 1.00 34.33 H new ATOM 0 HH11 ARG A 37 -11.604 -3.474 -7.728 1.00 72.20 H new ATOM 0 HH12 ARG A 37 -13.084 -3.960 -8.560 1.00 72.20 H new ATOM 0 HH21 ARG A 37 -15.227 -2.453 -6.154 1.00 44.03 H new ATOM 0 HH22 ARG A 37 -15.146 -3.375 -7.658 1.00 44.03 H new ATOM 667 N TYR A 38 -10.080 -0.287 -0.755 1.00 2.33 N ATOM 668 CA TYR A 38 -10.662 -0.702 0.510 1.00 20.32 C ATOM 669 C TYR A 38 -11.982 -1.445 0.290 1.00 54.11 C ATOM 670 O TYR A 38 -12.793 -1.042 -0.542 1.00 13.01 O ATOM 671 CB TYR A 38 -10.938 0.585 1.290 1.00 12.43 C ATOM 672 CG TYR A 38 -11.992 0.433 2.389 1.00 11.11 C ATOM 673 CD1 TYR A 38 -13.324 0.288 2.053 1.00 12.43 C ATOM 674 CD2 TYR A 38 -11.612 0.442 3.715 1.00 42.23 C ATOM 675 CE1 TYR A 38 -14.315 0.144 3.088 1.00 53.35 C ATOM 676 CE2 TYR A 38 -12.603 0.299 4.750 1.00 42.11 C ATOM 677 CZ TYR A 38 -13.906 0.157 4.385 1.00 23.24 C ATOM 678 OH TYR A 38 -14.842 0.022 5.362 1.00 23.44 O ATOM 0 H TYR A 38 -9.964 0.721 -0.861 1.00 2.33 H new ATOM 0 HA TYR A 38 -9.988 -1.375 1.040 1.00 20.32 H new ATOM 0 HB2 TYR A 38 -10.007 0.932 1.739 1.00 12.43 H new ATOM 0 HB3 TYR A 38 -11.263 1.357 0.593 1.00 12.43 H new ATOM 0 HD1 TYR A 38 -13.622 0.283 1.015 1.00 12.43 H new ATOM 0 HD2 TYR A 38 -10.571 0.556 3.977 1.00 42.23 H new ATOM 0 HE1 TYR A 38 -15.360 0.028 2.840 1.00 53.35 H new ATOM 0 HE2 TYR A 38 -12.319 0.304 5.792 1.00 42.11 H new ATOM 0 HH TYR A 38 -14.406 0.048 6.239 1.00 23.44 H new ATOM 688 N LYS A 39 -12.156 -2.515 1.051 1.00 73.55 N ATOM 689 CA LYS A 39 -13.364 -3.317 0.949 1.00 43.43 C ATOM 690 C LYS A 39 -14.583 -2.430 1.206 1.00 21.11 C ATOM 691 O LYS A 39 -14.964 -2.209 2.354 1.00 3.42 O ATOM 692 CB LYS A 39 -13.280 -4.530 1.877 1.00 73.41 C ATOM 693 CG LYS A 39 -12.153 -5.473 1.447 1.00 61.13 C ATOM 694 CD LYS A 39 -11.722 -6.375 2.605 1.00 10.22 C ATOM 695 CE LYS A 39 -11.154 -5.550 3.761 1.00 52.01 C ATOM 696 NZ LYS A 39 -10.275 -4.474 3.247 1.00 32.44 N ATOM 0 H LYS A 39 -11.481 -2.846 1.741 1.00 73.55 H new ATOM 0 HA LYS A 39 -13.470 -3.721 -0.058 1.00 43.43 H new ATOM 0 HB2 LYS A 39 -13.110 -4.198 2.901 1.00 73.41 H new ATOM 0 HB3 LYS A 39 -14.230 -5.065 1.869 1.00 73.41 H new ATOM 0 HG2 LYS A 39 -12.486 -6.085 0.609 1.00 61.13 H new ATOM 0 HG3 LYS A 39 -11.300 -4.891 1.098 1.00 61.13 H new ATOM 0 HD2 LYS A 39 -12.575 -6.957 2.954 1.00 10.22 H new ATOM 0 HD3 LYS A 39 -10.972 -7.085 2.258 1.00 10.22 H new ATOM 0 HE2 LYS A 39 -11.969 -5.116 4.341 1.00 52.01 H new ATOM 0 HE3 LYS A 39 -10.592 -6.196 4.435 1.00 52.01 H new ATOM 0 HZ1 LYS A 39 -9.506 -4.301 3.925 1.00 32.44 H new ATOM 0 HZ2 LYS A 39 -9.872 -4.762 2.332 1.00 32.44 H new ATOM 0 HZ3 LYS A 39 -10.829 -3.603 3.122 1.00 32.44 H new ATOM 709 N GLY A 40 -15.161 -1.944 0.117 1.00 74.45 N ATOM 710 CA GLY A 40 -16.330 -1.085 0.210 1.00 3.24 C ATOM 711 C GLY A 40 -15.985 0.354 -0.178 1.00 12.21 C ATOM 712 O GLY A 40 -16.704 1.286 0.180 1.00 40.33 O ATOM 0 H GLY A 40 -14.842 -2.129 -0.834 1.00 74.45 H new ATOM 0 HA2 GLY A 40 -17.116 -1.463 -0.443 1.00 3.24 H new ATOM 0 HA3 GLY A 40 -16.722 -1.107 1.227 1.00 3.24 H new ATOM 716 N GLU A 41 -14.885 0.490 -0.904 1.00 33.32 N ATOM 717 CA GLU A 41 -14.436 1.801 -1.344 1.00 32.55 C ATOM 718 C GLU A 41 -14.586 1.931 -2.861 1.00 20.11 C ATOM 719 O GLU A 41 -13.801 1.362 -3.617 1.00 31.05 O ATOM 720 CB GLU A 41 -12.992 2.058 -0.912 1.00 62.14 C ATOM 721 CG GLU A 41 -12.373 3.200 -1.722 1.00 52.41 C ATOM 722 CD GLU A 41 -13.183 4.487 -1.565 1.00 41.41 C ATOM 723 OE1 GLU A 41 -13.704 5.016 -2.559 1.00 62.12 O ATOM 724 OE2 GLU A 41 -13.265 4.937 -0.358 1.00 34.32 O ATOM 0 H GLU A 41 -14.291 -0.285 -1.199 1.00 33.32 H new ATOM 0 HA GLU A 41 -15.062 2.557 -0.870 1.00 32.55 H new ATOM 0 HB2 GLU A 41 -12.964 2.304 0.150 1.00 62.14 H new ATOM 0 HB3 GLU A 41 -12.402 1.151 -1.045 1.00 62.14 H new ATOM 0 HG2 GLU A 41 -11.348 3.369 -1.393 1.00 52.41 H new ATOM 0 HG3 GLU A 41 -12.328 2.921 -2.775 1.00 52.41 H new ATOM 732 N LYS A 42 -15.600 2.685 -3.261 1.00 64.40 N ATOM 733 CA LYS A 42 -15.863 2.897 -4.673 1.00 2.11 C ATOM 734 C LYS A 42 -15.575 4.359 -5.027 1.00 14.01 C ATOM 735 O LYS A 42 -15.192 4.664 -6.155 1.00 33.23 O ATOM 736 CB LYS A 42 -17.281 2.446 -5.029 1.00 13.31 C ATOM 737 CG LYS A 42 -18.295 3.558 -4.753 1.00 45.50 C ATOM 738 CD LYS A 42 -18.414 4.501 -5.953 1.00 43.25 C ATOM 739 CE LYS A 42 -19.595 4.108 -6.844 1.00 4.32 C ATOM 740 NZ LYS A 42 -19.519 2.674 -7.202 1.00 23.20 N ATOM 0 H LYS A 42 -16.249 3.156 -2.631 1.00 64.40 H new ATOM 0 HA LYS A 42 -15.197 2.284 -5.280 1.00 2.11 H new ATOM 0 HB2 LYS A 42 -17.323 2.163 -6.081 1.00 13.31 H new ATOM 0 HB3 LYS A 42 -17.541 1.560 -4.450 1.00 13.31 H new ATOM 0 HG2 LYS A 42 -19.269 3.121 -4.531 1.00 45.50 H new ATOM 0 HG3 LYS A 42 -17.991 4.122 -3.871 1.00 45.50 H new ATOM 0 HD2 LYS A 42 -18.542 5.526 -5.604 1.00 43.25 H new ATOM 0 HD3 LYS A 42 -17.492 4.475 -6.533 1.00 43.25 H new ATOM 0 HE2 LYS A 42 -20.532 4.310 -6.326 1.00 4.32 H new ATOM 0 HE3 LYS A 42 -19.593 4.715 -7.749 1.00 4.32 H new ATOM 0 HZ1 LYS A 42 -20.278 2.443 -7.874 1.00 23.20 H new ATOM 0 HZ2 LYS A 42 -18.597 2.474 -7.639 1.00 23.20 H new ATOM 0 HZ3 LYS A 42 -19.628 2.096 -6.344 1.00 23.20 H new ATOM 753 N GLN A 43 -15.772 5.222 -4.042 1.00 63.45 N ATOM 754 CA GLN A 43 -15.539 6.643 -4.235 1.00 43.21 C ATOM 755 C GLN A 43 -14.260 6.866 -5.046 1.00 65.15 C ATOM 756 O GLN A 43 -14.319 7.101 -6.252 1.00 23.23 O ATOM 757 CB GLN A 43 -15.470 7.374 -2.893 1.00 65.43 C ATOM 758 CG GLN A 43 -16.861 7.830 -2.446 1.00 61.32 C ATOM 759 CD GLN A 43 -17.234 9.167 -3.087 1.00 0.41 C ATOM 760 OE1 GLN A 43 -16.402 9.881 -3.624 1.00 34.35 O ATOM 761 NE2 GLN A 43 -18.527 9.467 -3.003 1.00 61.50 N ATOM 0 H GLN A 43 -16.090 4.965 -3.108 1.00 63.45 H new ATOM 0 HA GLN A 43 -16.378 7.056 -4.795 1.00 43.21 H new ATOM 0 HB2 GLN A 43 -15.039 6.716 -2.138 1.00 65.43 H new ATOM 0 HB3 GLN A 43 -14.810 8.237 -2.978 1.00 65.43 H new ATOM 0 HG2 GLN A 43 -17.599 7.075 -2.717 1.00 61.32 H new ATOM 0 HG3 GLN A 43 -16.885 7.924 -1.360 1.00 61.32 H new ATOM 0 HE21 GLN A 43 -19.170 8.825 -2.540 1.00 61.50 H new ATOM 0 HE22 GLN A 43 -18.875 10.339 -3.402 1.00 61.50 H new ATOM 770 N LEU A 44 -13.135 6.783 -4.351 1.00 70.13 N ATOM 771 CA LEU A 44 -11.844 6.974 -4.992 1.00 74.32 C ATOM 772 C LEU A 44 -11.720 6.010 -6.173 1.00 11.20 C ATOM 773 O LEU A 44 -12.299 4.925 -6.158 1.00 43.35 O ATOM 774 CB LEU A 44 -10.715 6.843 -3.969 1.00 23.41 C ATOM 775 CG LEU A 44 -10.566 8.003 -2.981 1.00 52.12 C ATOM 776 CD1 LEU A 44 -10.147 7.497 -1.600 1.00 50.33 C ATOM 777 CD2 LEU A 44 -9.602 9.061 -3.520 1.00 10.25 C ATOM 0 H LEU A 44 -13.090 6.586 -3.351 1.00 70.13 H new ATOM 0 HA LEU A 44 -11.762 7.984 -5.394 1.00 74.32 H new ATOM 0 HB2 LEU A 44 -10.871 5.926 -3.401 1.00 23.41 H new ATOM 0 HB3 LEU A 44 -9.775 6.728 -4.508 1.00 23.41 H new ATOM 0 HG LEU A 44 -11.539 8.481 -2.867 1.00 52.12 H new ATOM 0 HD11 LEU A 44 -10.048 8.341 -0.918 1.00 50.33 H new ATOM 0 HD12 LEU A 44 -10.903 6.809 -1.220 1.00 50.33 H new ATOM 0 HD13 LEU A 44 -9.191 6.979 -1.677 1.00 50.33 H new ATOM 0 HD21 LEU A 44 -9.514 9.874 -2.799 1.00 10.25 H new ATOM 0 HD22 LEU A 44 -8.622 8.612 -3.682 1.00 10.25 H new ATOM 0 HD23 LEU A 44 -9.982 9.452 -4.464 1.00 10.25 H new ATOM 789 N PRO A 45 -10.939 6.451 -7.196 1.00 31.11 N ATOM 790 CA PRO A 45 -10.730 5.639 -8.382 1.00 72.02 C ATOM 791 C PRO A 45 -9.764 4.487 -8.096 1.00 4.31 C ATOM 792 O PRO A 45 -9.103 4.471 -7.060 1.00 31.03 O ATOM 793 CB PRO A 45 -10.208 6.605 -9.433 1.00 14.10 C ATOM 794 CG PRO A 45 -9.705 7.819 -8.670 1.00 24.31 C ATOM 795 CD PRO A 45 -10.237 7.729 -7.248 1.00 12.34 C ATOM 0 HA PRO A 45 -11.643 5.153 -8.725 1.00 72.02 H new ATOM 0 HB2 PRO A 45 -9.407 6.151 -10.017 1.00 14.10 H new ATOM 0 HB3 PRO A 45 -10.995 6.883 -10.134 1.00 14.10 H new ATOM 0 HG2 PRO A 45 -8.615 7.845 -8.669 1.00 24.31 H new ATOM 0 HG3 PRO A 45 -10.045 8.738 -9.147 1.00 24.31 H new ATOM 0 HD2 PRO A 45 -9.427 7.766 -6.519 1.00 12.34 H new ATOM 0 HD3 PRO A 45 -10.907 8.559 -7.023 1.00 12.34 H new ATOM 803 N VAL A 46 -9.714 3.552 -9.034 1.00 55.41 N ATOM 804 CA VAL A 46 -8.841 2.400 -8.895 1.00 62.40 C ATOM 805 C VAL A 46 -7.435 2.770 -9.373 1.00 24.11 C ATOM 806 O VAL A 46 -7.250 3.162 -10.524 1.00 23.43 O ATOM 807 CB VAL A 46 -9.431 1.203 -9.644 1.00 71.25 C ATOM 808 CG1 VAL A 46 -8.757 -0.101 -9.212 1.00 21.34 C ATOM 809 CG2 VAL A 46 -10.946 1.127 -9.450 1.00 2.32 C ATOM 0 H VAL A 46 -10.264 3.569 -9.893 1.00 55.41 H new ATOM 0 HA VAL A 46 -8.762 2.105 -7.849 1.00 62.40 H new ATOM 0 HB VAL A 46 -9.236 1.345 -10.707 1.00 71.25 H new ATOM 0 HG11 VAL A 46 -9.195 -0.936 -9.759 1.00 21.34 H new ATOM 0 HG12 VAL A 46 -7.690 -0.047 -9.426 1.00 21.34 H new ATOM 0 HG13 VAL A 46 -8.906 -0.251 -8.143 1.00 21.34 H new ATOM 0 HG21 VAL A 46 -11.340 0.268 -9.993 1.00 2.32 H new ATOM 0 HG22 VAL A 46 -11.172 1.021 -8.389 1.00 2.32 H new ATOM 0 HG23 VAL A 46 -11.408 2.038 -9.830 1.00 2.32 H new ATOM 819 N LEU A 47 -6.481 2.634 -8.465 1.00 70.21 N ATOM 820 CA LEU A 47 -5.098 2.950 -8.779 1.00 52.54 C ATOM 821 C LEU A 47 -4.775 2.456 -10.190 1.00 0.41 C ATOM 822 O LEU A 47 -5.310 1.442 -10.635 1.00 44.05 O ATOM 823 CB LEU A 47 -4.163 2.393 -7.703 1.00 21.34 C ATOM 824 CG LEU A 47 -3.010 3.305 -7.280 1.00 14.51 C ATOM 825 CD1 LEU A 47 -2.241 3.818 -8.498 1.00 51.34 C ATOM 826 CD2 LEU A 47 -3.511 4.447 -6.394 1.00 2.31 C ATOM 0 H LEU A 47 -6.638 2.309 -7.511 1.00 70.21 H new ATOM 0 HA LEU A 47 -4.943 4.029 -8.775 1.00 52.54 H new ATOM 0 HB2 LEU A 47 -4.757 2.158 -6.820 1.00 21.34 H new ATOM 0 HB3 LEU A 47 -3.744 1.454 -8.065 1.00 21.34 H new ATOM 0 HG LEU A 47 -2.312 2.718 -6.683 1.00 14.51 H new ATOM 0 HD11 LEU A 47 -1.427 4.464 -8.169 1.00 51.34 H new ATOM 0 HD12 LEU A 47 -1.832 2.973 -9.053 1.00 51.34 H new ATOM 0 HD13 LEU A 47 -2.915 4.383 -9.142 1.00 51.34 H new ATOM 0 HD21 LEU A 47 -2.671 5.080 -6.107 1.00 2.31 H new ATOM 0 HD22 LEU A 47 -4.242 5.040 -6.944 1.00 2.31 H new ATOM 0 HD23 LEU A 47 -3.977 4.035 -5.499 1.00 2.31 H new ATOM 838 N ASP A 48 -3.899 3.195 -10.856 1.00 34.23 N ATOM 839 CA ASP A 48 -3.498 2.844 -12.207 1.00 65.12 C ATOM 840 C ASP A 48 -3.089 1.370 -12.248 1.00 61.25 C ATOM 841 O ASP A 48 -3.495 0.635 -13.147 1.00 1.55 O ATOM 842 CB ASP A 48 -2.299 3.680 -12.660 1.00 32.20 C ATOM 843 CG ASP A 48 -2.096 3.752 -14.175 1.00 54.14 C ATOM 844 OD1 ASP A 48 -2.933 3.273 -14.955 1.00 11.32 O ATOM 845 OD2 ASP A 48 -1.010 4.337 -14.553 1.00 33.14 O ATOM 0 H ASP A 48 -3.456 4.035 -10.484 1.00 34.23 H new ATOM 0 HA ASP A 48 -4.342 3.035 -12.869 1.00 65.12 H new ATOM 0 HB2 ASP A 48 -2.416 4.693 -12.276 1.00 32.20 H new ATOM 0 HB3 ASP A 48 -1.397 3.269 -12.207 1.00 32.20 H new ATOM 851 N LYS A 49 -2.293 0.984 -11.263 1.00 34.30 N ATOM 852 CA LYS A 49 -1.824 -0.389 -11.175 1.00 13.11 C ATOM 853 C LYS A 49 -1.888 -0.853 -9.717 1.00 55.44 C ATOM 854 O LYS A 49 -2.392 -0.133 -8.856 1.00 64.03 O ATOM 855 CB LYS A 49 -0.436 -0.523 -11.802 1.00 53.23 C ATOM 856 CG LYS A 49 0.624 0.166 -10.941 1.00 52.12 C ATOM 857 CD LYS A 49 0.813 1.624 -11.366 1.00 15.23 C ATOM 858 CE LYS A 49 1.140 1.722 -12.857 1.00 51.44 C ATOM 859 NZ LYS A 49 -0.076 2.040 -13.635 1.00 4.25 N ATOM 0 H LYS A 49 -1.961 1.597 -10.519 1.00 34.30 H new ATOM 0 HA LYS A 49 -2.473 -1.050 -11.750 1.00 13.11 H new ATOM 0 HB2 LYS A 49 -0.186 -1.578 -11.918 1.00 53.23 H new ATOM 0 HB3 LYS A 49 -0.440 -0.085 -12.800 1.00 53.23 H new ATOM 0 HG2 LYS A 49 0.329 0.124 -9.892 1.00 52.12 H new ATOM 0 HG3 LYS A 49 1.571 -0.367 -11.027 1.00 52.12 H new ATOM 0 HD2 LYS A 49 -0.094 2.190 -11.151 1.00 15.23 H new ATOM 0 HD3 LYS A 49 1.616 2.075 -10.783 1.00 15.23 H new ATOM 0 HE2 LYS A 49 1.894 2.492 -13.020 1.00 51.44 H new ATOM 0 HE3 LYS A 49 1.565 0.780 -13.205 1.00 51.44 H new ATOM 0 HZ1 LYS A 49 -0.103 1.453 -14.493 1.00 4.25 H new ATOM 0 HZ2 LYS A 49 -0.919 1.846 -13.057 1.00 4.25 H new ATOM 0 HZ3 LYS A 49 -0.064 3.045 -13.903 1.00 4.25 H new ATOM 872 N THR A 50 -1.371 -2.051 -9.488 1.00 62.40 N ATOM 873 CA THR A 50 -1.364 -2.618 -8.150 1.00 12.42 C ATOM 874 C THR A 50 0.073 -2.782 -7.649 1.00 13.32 C ATOM 875 O THR A 50 0.336 -2.652 -6.455 1.00 13.53 O ATOM 876 CB THR A 50 -2.147 -3.931 -8.189 1.00 64.23 C ATOM 877 OG1 THR A 50 -3.408 -3.566 -8.743 1.00 33.22 O ATOM 878 CG2 THR A 50 -2.490 -4.450 -6.792 1.00 4.14 C ATOM 0 H THR A 50 -0.954 -2.644 -10.205 1.00 62.40 H new ATOM 0 HA THR A 50 -1.851 -1.954 -7.436 1.00 12.42 H new ATOM 0 HB THR A 50 -1.567 -4.684 -8.723 1.00 64.23 H new ATOM 0 HG1 THR A 50 -3.980 -4.360 -8.806 1.00 33.22 H new ATOM 0 HG21 THR A 50 -3.046 -5.384 -6.877 1.00 4.14 H new ATOM 0 HG22 THR A 50 -1.571 -4.624 -6.233 1.00 4.14 H new ATOM 0 HG23 THR A 50 -3.098 -3.712 -6.269 1.00 4.14 H new ATOM 886 N LYS A 51 0.964 -3.064 -8.588 1.00 63.11 N ATOM 887 CA LYS A 51 2.367 -3.248 -8.257 1.00 2.24 C ATOM 888 C LYS A 51 3.097 -1.910 -8.389 1.00 2.53 C ATOM 889 O LYS A 51 2.939 -1.208 -9.388 1.00 22.21 O ATOM 890 CB LYS A 51 2.976 -4.367 -9.104 1.00 62.34 C ATOM 891 CG LYS A 51 2.095 -5.617 -9.076 1.00 12.21 C ATOM 892 CD LYS A 51 2.945 -6.888 -9.113 1.00 14.34 C ATOM 893 CE LYS A 51 2.865 -7.562 -10.484 1.00 70.11 C ATOM 894 NZ LYS A 51 1.454 -7.740 -10.893 1.00 74.50 N ATOM 0 H LYS A 51 0.742 -3.170 -9.578 1.00 63.11 H new ATOM 0 HA LYS A 51 2.475 -3.570 -7.221 1.00 2.24 H new ATOM 0 HB2 LYS A 51 3.096 -4.025 -10.132 1.00 62.34 H new ATOM 0 HB3 LYS A 51 3.971 -4.610 -8.731 1.00 62.34 H new ATOM 0 HG2 LYS A 51 1.480 -5.613 -8.176 1.00 12.21 H new ATOM 0 HG3 LYS A 51 1.414 -5.606 -9.927 1.00 12.21 H new ATOM 0 HD2 LYS A 51 3.982 -6.643 -8.884 1.00 14.34 H new ATOM 0 HD3 LYS A 51 2.604 -7.580 -8.343 1.00 14.34 H new ATOM 0 HE2 LYS A 51 3.391 -6.958 -11.224 1.00 70.11 H new ATOM 0 HE3 LYS A 51 3.365 -8.530 -10.449 1.00 70.11 H new ATOM 0 HZ1 LYS A 51 1.353 -8.636 -11.411 1.00 74.50 H new ATOM 0 HZ2 LYS A 51 0.847 -7.758 -10.048 1.00 74.50 H new ATOM 0 HZ3 LYS A 51 1.168 -6.951 -11.507 1.00 74.50 H new ATOM 907 N PHE A 52 3.881 -1.595 -7.368 1.00 55.52 N ATOM 908 CA PHE A 52 4.635 -0.354 -7.358 1.00 12.53 C ATOM 909 C PHE A 52 6.035 -0.568 -6.779 1.00 23.41 C ATOM 910 O PHE A 52 6.194 -1.249 -5.766 1.00 20.35 O ATOM 911 CB PHE A 52 3.871 0.626 -6.466 1.00 64.54 C ATOM 912 CG PHE A 52 2.464 0.957 -6.967 1.00 42.21 C ATOM 913 CD1 PHE A 52 1.459 0.051 -6.816 1.00 55.41 C ATOM 914 CD2 PHE A 52 2.217 2.153 -7.563 1.00 50.44 C ATOM 915 CE1 PHE A 52 0.152 0.358 -7.281 1.00 50.35 C ATOM 916 CE2 PHE A 52 0.911 2.460 -8.028 1.00 5.33 C ATOM 917 CZ PHE A 52 -0.094 1.555 -7.877 1.00 13.42 C ATOM 0 H PHE A 52 4.010 -2.179 -6.542 1.00 55.52 H new ATOM 0 HA PHE A 52 4.745 0.023 -8.375 1.00 12.53 H new ATOM 0 HB2 PHE A 52 3.799 0.207 -5.462 1.00 64.54 H new ATOM 0 HB3 PHE A 52 4.444 1.550 -6.385 1.00 64.54 H new ATOM 0 HD1 PHE A 52 1.655 -0.900 -6.343 1.00 55.41 H new ATOM 0 HD2 PHE A 52 3.015 2.871 -7.683 1.00 50.44 H new ATOM 0 HE1 PHE A 52 -0.646 -0.360 -7.161 1.00 50.35 H new ATOM 0 HE2 PHE A 52 0.715 3.411 -8.501 1.00 5.33 H new ATOM 0 HZ PHE A 52 -1.088 1.788 -8.231 1.00 13.42 H new ATOM 927 N LEU A 53 7.013 0.027 -7.445 1.00 0.05 N ATOM 928 CA LEU A 53 8.395 -0.090 -7.007 1.00 15.10 C ATOM 929 C LEU A 53 8.816 1.205 -6.310 1.00 53.33 C ATOM 930 O LEU A 53 9.089 2.208 -6.967 1.00 23.21 O ATOM 931 CB LEU A 53 9.296 -0.476 -8.182 1.00 22.22 C ATOM 932 CG LEU A 53 8.926 -1.768 -8.916 1.00 23.31 C ATOM 933 CD1 LEU A 53 10.124 -2.322 -9.688 1.00 34.22 C ATOM 934 CD2 LEU A 53 8.340 -2.799 -7.949 1.00 70.04 C ATOM 0 H LEU A 53 6.877 0.591 -8.284 1.00 0.05 H new ATOM 0 HA LEU A 53 8.498 -0.893 -6.277 1.00 15.10 H new ATOM 0 HB2 LEU A 53 9.290 0.342 -8.902 1.00 22.22 H new ATOM 0 HB3 LEU A 53 10.318 -0.570 -7.815 1.00 22.22 H new ATOM 0 HG LEU A 53 8.152 -1.536 -9.647 1.00 23.31 H new ATOM 0 HD11 LEU A 53 9.834 -3.240 -10.200 1.00 34.22 H new ATOM 0 HD12 LEU A 53 10.456 -1.587 -10.421 1.00 34.22 H new ATOM 0 HD13 LEU A 53 10.937 -2.535 -8.994 1.00 34.22 H new ATOM 0 HD21 LEU A 53 8.086 -3.707 -8.496 1.00 70.04 H new ATOM 0 HD22 LEU A 53 9.074 -3.033 -7.178 1.00 70.04 H new ATOM 0 HD23 LEU A 53 7.442 -2.392 -7.484 1.00 70.04 H new ATOM 946 N VAL A 54 8.854 1.141 -4.987 1.00 12.25 N ATOM 947 CA VAL A 54 9.237 2.295 -4.192 1.00 54.11 C ATOM 948 C VAL A 54 10.734 2.225 -3.886 1.00 53.14 C ATOM 949 O VAL A 54 11.277 1.142 -3.675 1.00 2.34 O ATOM 950 CB VAL A 54 8.372 2.375 -2.934 1.00 50.23 C ATOM 951 CG1 VAL A 54 8.248 1.004 -2.266 1.00 52.41 C ATOM 952 CG2 VAL A 54 8.922 3.413 -1.954 1.00 33.12 C ATOM 0 H VAL A 54 8.626 0.307 -4.446 1.00 12.25 H new ATOM 0 HA VAL A 54 9.062 3.216 -4.748 1.00 54.11 H new ATOM 0 HB VAL A 54 7.374 2.694 -3.235 1.00 50.23 H new ATOM 0 HG11 VAL A 54 7.628 1.089 -1.374 1.00 52.41 H new ATOM 0 HG12 VAL A 54 7.789 0.301 -2.961 1.00 52.41 H new ATOM 0 HG13 VAL A 54 9.238 0.644 -1.987 1.00 52.41 H new ATOM 0 HG21 VAL A 54 8.288 3.449 -1.068 1.00 33.12 H new ATOM 0 HG22 VAL A 54 9.936 3.138 -1.663 1.00 33.12 H new ATOM 0 HG23 VAL A 54 8.935 4.393 -2.431 1.00 33.12 H new ATOM 962 N PRO A 55 11.376 3.423 -3.873 1.00 45.33 N ATOM 963 CA PRO A 55 12.799 3.508 -3.595 1.00 0.21 C ATOM 964 C PRO A 55 13.081 3.300 -2.106 1.00 50.22 C ATOM 965 O PRO A 55 12.510 3.988 -1.261 1.00 54.10 O ATOM 966 CB PRO A 55 13.217 4.882 -4.093 1.00 72.21 C ATOM 967 CG PRO A 55 11.935 5.692 -4.203 1.00 64.33 C ATOM 968 CD PRO A 55 10.764 4.726 -4.118 1.00 22.13 C ATOM 0 HA PRO A 55 13.372 2.727 -4.095 1.00 0.21 H new ATOM 0 HB2 PRO A 55 13.918 5.351 -3.403 1.00 72.21 H new ATOM 0 HB3 PRO A 55 13.719 4.812 -5.058 1.00 72.21 H new ATOM 0 HG2 PRO A 55 11.880 6.430 -3.403 1.00 64.33 H new ATOM 0 HG3 PRO A 55 11.910 6.241 -5.145 1.00 64.33 H new ATOM 0 HD2 PRO A 55 10.082 5.001 -3.314 1.00 22.13 H new ATOM 0 HD3 PRO A 55 10.184 4.724 -5.041 1.00 22.13 H new ATOM 976 N ASP A 56 13.962 2.350 -1.829 1.00 15.23 N ATOM 977 CA ASP A 56 14.327 2.043 -0.456 1.00 24.22 C ATOM 978 C ASP A 56 15.388 3.037 0.019 1.00 33.22 C ATOM 979 O ASP A 56 16.431 2.639 0.534 1.00 24.04 O ATOM 980 CB ASP A 56 14.915 0.635 -0.344 1.00 14.44 C ATOM 981 CG ASP A 56 16.332 0.480 -0.899 1.00 63.42 C ATOM 982 OD1 ASP A 56 17.088 -0.408 -0.479 1.00 73.21 O ATOM 983 OD2 ASP A 56 16.656 1.332 -1.812 1.00 53.21 O ATOM 0 H ASP A 56 14.434 1.782 -2.533 1.00 15.23 H new ATOM 0 HA ASP A 56 13.427 2.107 0.155 1.00 24.22 H new ATOM 0 HB2 ASP A 56 14.918 0.341 0.706 1.00 14.44 H new ATOM 0 HB3 ASP A 56 14.258 -0.060 -0.867 1.00 14.44 H new ATOM 989 N HIS A 57 15.085 4.314 -0.172 1.00 42.54 N ATOM 990 CA HIS A 57 15.999 5.368 0.231 1.00 33.12 C ATOM 991 C HIS A 57 15.203 6.605 0.652 1.00 34.15 C ATOM 992 O HIS A 57 15.738 7.712 0.683 1.00 74.42 O ATOM 993 CB HIS A 57 17.010 5.663 -0.879 1.00 42.14 C ATOM 994 CG HIS A 57 16.516 6.645 -1.914 1.00 61.13 C ATOM 995 ND1 HIS A 57 16.026 6.251 -3.147 1.00 2.30 N ATOM 996 CD2 HIS A 57 16.441 8.007 -1.887 1.00 44.01 C ATOM 997 CE1 HIS A 57 15.675 7.336 -3.823 1.00 52.24 C ATOM 998 NE2 HIS A 57 15.933 8.422 -3.041 1.00 2.34 N ATOM 0 H HIS A 57 14.219 4.641 -0.601 1.00 42.54 H new ATOM 0 HA HIS A 57 16.579 5.041 1.094 1.00 33.12 H new ATOM 0 HB2 HIS A 57 17.924 6.053 -0.430 1.00 42.14 H new ATOM 0 HB3 HIS A 57 17.272 4.729 -1.375 1.00 42.14 H new ATOM 0 HD2 HIS A 57 16.744 8.640 -1.066 1.00 44.01 H new ATOM 0 HE1 HIS A 57 15.258 7.356 -4.819 1.00 52.24 H new ATOM 0 HE2 HIS A 57 15.764 9.394 -3.300 1.00 2.34 H new ATOM 1006 N VAL A 58 13.936 6.375 0.967 1.00 51.30 N ATOM 1007 CA VAL A 58 13.061 7.456 1.384 1.00 21.42 C ATOM 1008 C VAL A 58 12.195 6.982 2.554 1.00 52.34 C ATOM 1009 O VAL A 58 12.518 5.994 3.209 1.00 3.12 O ATOM 1010 CB VAL A 58 12.237 7.953 0.194 1.00 42.54 C ATOM 1011 CG1 VAL A 58 13.146 8.358 -0.970 1.00 63.40 C ATOM 1012 CG2 VAL A 58 11.218 6.901 -0.246 1.00 52.14 C ATOM 0 H VAL A 58 13.495 5.455 0.941 1.00 51.30 H new ATOM 0 HA VAL A 58 13.646 8.307 1.734 1.00 21.42 H new ATOM 0 HB VAL A 58 11.686 8.838 0.514 1.00 42.54 H new ATOM 0 HG11 VAL A 58 12.536 8.708 -1.803 1.00 63.40 H new ATOM 0 HG12 VAL A 58 13.814 9.157 -0.649 1.00 63.40 H new ATOM 0 HG13 VAL A 58 13.736 7.498 -1.288 1.00 63.40 H new ATOM 0 HG21 VAL A 58 10.646 7.280 -1.093 1.00 52.14 H new ATOM 0 HG22 VAL A 58 11.739 5.990 -0.539 1.00 52.14 H new ATOM 0 HG23 VAL A 58 10.541 6.682 0.580 1.00 52.14 H new ATOM 1022 N ASN A 59 11.111 7.711 2.778 1.00 3.10 N ATOM 1023 CA ASN A 59 10.196 7.378 3.857 1.00 53.34 C ATOM 1024 C ASN A 59 8.832 7.011 3.268 1.00 32.55 C ATOM 1025 O ASN A 59 8.453 7.514 2.212 1.00 53.32 O ATOM 1026 CB ASN A 59 9.999 8.567 4.799 1.00 31.55 C ATOM 1027 CG ASN A 59 10.322 9.886 4.093 1.00 54.00 C ATOM 1028 OD1 ASN A 59 9.350 10.326 3.298 1.00 22.23 O flip ATOM 1029 ND2 ASN A 59 11.382 10.465 4.260 1.00 14.31 N flip ATOM 0 H ASN A 59 10.846 8.530 2.231 1.00 3.10 H new ATOM 0 HA ASN A 59 10.621 6.543 4.414 1.00 53.34 H new ATOM 0 HB2 ASN A 59 8.970 8.585 5.157 1.00 31.55 H new ATOM 0 HB3 ASN A 59 10.639 8.452 5.674 1.00 31.55 H new ATOM 0 HD21 ASN A 59 12.085 10.071 4.885 1.00 14.31 H new ATOM 0 HD22 ASN A 59 11.565 11.343 3.775 1.00 14.31 H new ATOM 1036 N MET A 60 8.134 6.135 3.976 1.00 53.42 N ATOM 1037 CA MET A 60 6.821 5.694 3.537 1.00 63.50 C ATOM 1038 C MET A 60 5.951 6.885 3.127 1.00 72.03 C ATOM 1039 O MET A 60 5.045 6.744 2.308 1.00 33.53 O ATOM 1040 CB MET A 60 6.135 4.926 4.668 1.00 54.13 C ATOM 1041 CG MET A 60 5.229 5.848 5.486 1.00 71.53 C ATOM 1042 SD MET A 60 3.635 5.996 4.694 1.00 50.24 S ATOM 1043 CE MET A 60 3.188 4.273 4.570 1.00 24.12 C ATOM 0 H MET A 60 8.453 5.719 4.851 1.00 53.42 H new ATOM 0 HA MET A 60 6.948 5.045 2.670 1.00 63.50 H new ATOM 0 HB2 MET A 60 5.547 4.108 4.252 1.00 54.13 H new ATOM 0 HB3 MET A 60 6.888 4.480 5.318 1.00 54.13 H new ATOM 0 HG2 MET A 60 5.108 5.452 6.494 1.00 71.53 H new ATOM 0 HG3 MET A 60 5.689 6.831 5.583 1.00 71.53 H new ATOM 0 HE1 MET A 60 2.104 4.182 4.508 1.00 24.12 H new ATOM 0 HE2 MET A 60 3.640 3.843 3.676 1.00 24.12 H new ATOM 0 HE3 MET A 60 3.547 3.740 5.450 1.00 24.12 H new ATOM 1053 N SER A 61 6.257 8.031 3.719 1.00 31.15 N ATOM 1054 CA SER A 61 5.515 9.244 3.426 1.00 60.52 C ATOM 1055 C SER A 61 5.535 9.521 1.921 1.00 5.42 C ATOM 1056 O SER A 61 4.519 9.907 1.344 1.00 42.35 O ATOM 1057 CB SER A 61 6.088 10.439 4.192 1.00 24.14 C ATOM 1058 OG SER A 61 6.105 11.623 3.399 1.00 33.42 O ATOM 0 H SER A 61 7.008 8.144 4.400 1.00 31.15 H new ATOM 0 HA SER A 61 4.484 9.099 3.749 1.00 60.52 H new ATOM 0 HB2 SER A 61 5.495 10.612 5.090 1.00 24.14 H new ATOM 0 HB3 SER A 61 7.101 10.207 4.520 1.00 24.14 H new ATOM 0 HG SER A 61 6.476 12.363 3.924 1.00 33.42 H new ATOM 1064 N GLU A 62 6.701 9.312 1.329 1.00 43.34 N ATOM 1065 CA GLU A 62 6.867 9.533 -0.098 1.00 62.30 C ATOM 1066 C GLU A 62 5.852 8.703 -0.885 1.00 2.22 C ATOM 1067 O GLU A 62 5.087 9.244 -1.682 1.00 1.22 O ATOM 1068 CB GLU A 62 8.297 9.214 -0.540 1.00 23.32 C ATOM 1069 CG GLU A 62 9.177 10.463 -0.491 1.00 33.21 C ATOM 1070 CD GLU A 62 8.578 11.590 -1.335 1.00 21.13 C ATOM 1071 OE1 GLU A 62 7.736 11.331 -2.208 1.00 65.32 O ATOM 1072 OE2 GLU A 62 9.017 12.771 -1.058 1.00 22.24 O ATOM 0 H GLU A 62 7.541 8.992 1.811 1.00 43.34 H new ATOM 0 HA GLU A 62 6.684 10.587 -0.306 1.00 62.30 H new ATOM 0 HB2 GLU A 62 8.718 8.443 0.106 1.00 23.32 H new ATOM 0 HB3 GLU A 62 8.287 8.811 -1.553 1.00 23.32 H new ATOM 0 HG2 GLU A 62 9.285 10.795 0.541 1.00 33.21 H new ATOM 0 HG3 GLU A 62 10.176 10.223 -0.855 1.00 33.21 H new ATOM 1080 N LEU A 63 5.877 7.402 -0.635 1.00 75.35 N ATOM 1081 CA LEU A 63 4.967 6.492 -1.310 1.00 71.31 C ATOM 1082 C LEU A 63 3.598 7.159 -1.454 1.00 34.30 C ATOM 1083 O LEU A 63 2.956 7.046 -2.497 1.00 74.31 O ATOM 1084 CB LEU A 63 4.921 5.145 -0.586 1.00 53.52 C ATOM 1085 CG LEU A 63 4.273 3.992 -1.354 1.00 3.21 C ATOM 1086 CD1 LEU A 63 4.172 2.740 -0.482 1.00 21.14 C ATOM 1087 CD2 LEU A 63 2.914 4.406 -1.921 1.00 23.34 C ATOM 0 H LEU A 63 6.513 6.956 0.026 1.00 75.35 H new ATOM 0 HA LEU A 63 5.324 6.275 -2.317 1.00 71.31 H new ATOM 0 HB2 LEU A 63 5.941 4.857 -0.331 1.00 53.52 H new ATOM 0 HB3 LEU A 63 4.383 5.278 0.353 1.00 53.52 H new ATOM 0 HG LEU A 63 4.913 3.744 -2.200 1.00 3.21 H new ATOM 0 HD11 LEU A 63 3.708 1.936 -1.053 1.00 21.14 H new ATOM 0 HD12 LEU A 63 5.170 2.433 -0.169 1.00 21.14 H new ATOM 0 HD13 LEU A 63 3.566 2.957 0.398 1.00 21.14 H new ATOM 0 HD21 LEU A 63 2.475 3.568 -2.462 1.00 23.34 H new ATOM 0 HD22 LEU A 63 2.253 4.697 -1.105 1.00 23.34 H new ATOM 0 HD23 LEU A 63 3.045 5.248 -2.600 1.00 23.34 H new ATOM 1099 N ILE A 64 3.193 7.840 -0.393 1.00 23.04 N ATOM 1100 CA ILE A 64 1.912 8.526 -0.388 1.00 61.52 C ATOM 1101 C ILE A 64 1.874 9.535 -1.538 1.00 62.30 C ATOM 1102 O ILE A 64 1.019 9.448 -2.418 1.00 14.00 O ATOM 1103 CB ILE A 64 1.640 9.146 0.984 1.00 21.21 C ATOM 1104 CG1 ILE A 64 1.906 8.138 2.103 1.00 50.20 C ATOM 1105 CG2 ILE A 64 0.225 9.722 1.055 1.00 30.13 C ATOM 1106 CD1 ILE A 64 1.230 6.798 1.806 1.00 54.44 C ATOM 0 H ILE A 64 3.729 7.932 0.470 1.00 23.04 H new ATOM 0 HA ILE A 64 1.101 7.818 -0.558 1.00 61.52 H new ATOM 0 HB ILE A 64 2.332 9.976 1.127 1.00 21.21 H new ATOM 0 HG12 ILE A 64 2.980 7.990 2.217 1.00 50.20 H new ATOM 0 HG13 ILE A 64 1.537 8.534 3.049 1.00 50.20 H new ATOM 0 HG21 ILE A 64 0.058 10.156 2.041 1.00 30.13 H new ATOM 0 HG22 ILE A 64 0.108 10.493 0.294 1.00 30.13 H new ATOM 0 HG23 ILE A 64 -0.500 8.927 0.881 1.00 30.13 H new ATOM 0 HD11 ILE A 64 1.435 6.099 2.617 1.00 54.44 H new ATOM 0 HD12 ILE A 64 0.154 6.945 1.717 1.00 54.44 H new ATOM 0 HD13 ILE A 64 1.619 6.393 0.872 1.00 54.44 H new ATOM 1118 N LYS A 65 2.812 10.470 -1.494 1.00 65.21 N ATOM 1119 CA LYS A 65 2.898 11.494 -2.520 1.00 4.50 C ATOM 1120 C LYS A 65 2.926 10.829 -3.898 1.00 41.42 C ATOM 1121 O LYS A 65 2.604 11.459 -4.903 1.00 64.31 O ATOM 1122 CB LYS A 65 4.090 12.417 -2.258 1.00 50.41 C ATOM 1123 CG LYS A 65 3.966 13.099 -0.894 1.00 31.50 C ATOM 1124 CD LYS A 65 5.227 13.898 -0.564 1.00 14.42 C ATOM 1125 CE LYS A 65 5.664 14.750 -1.757 1.00 43.24 C ATOM 1126 NZ LYS A 65 6.779 15.646 -1.375 1.00 21.21 N ATOM 0 H LYS A 65 3.520 10.539 -0.763 1.00 65.21 H new ATOM 0 HA LYS A 65 2.017 12.135 -2.493 1.00 4.50 H new ATOM 0 HB2 LYS A 65 5.015 11.842 -2.298 1.00 50.41 H new ATOM 0 HB3 LYS A 65 4.149 13.172 -3.042 1.00 50.41 H new ATOM 0 HG2 LYS A 65 3.101 13.762 -0.892 1.00 31.50 H new ATOM 0 HG3 LYS A 65 3.794 12.348 -0.122 1.00 31.50 H new ATOM 0 HD2 LYS A 65 5.040 14.540 0.297 1.00 14.42 H new ATOM 0 HD3 LYS A 65 6.031 13.217 -0.285 1.00 14.42 H new ATOM 0 HE2 LYS A 65 5.974 14.104 -2.578 1.00 43.24 H new ATOM 0 HE3 LYS A 65 4.822 15.341 -2.117 1.00 43.24 H new ATOM 0 HZ1 LYS A 65 7.063 16.217 -2.197 1.00 21.21 H new ATOM 0 HZ2 LYS A 65 6.471 16.275 -0.606 1.00 21.21 H new ATOM 0 HZ3 LYS A 65 7.588 15.076 -1.053 1.00 21.21 H new ATOM 1139 N ILE A 66 3.316 9.562 -3.900 1.00 54.04 N ATOM 1140 CA ILE A 66 3.391 8.804 -5.137 1.00 32.11 C ATOM 1141 C ILE A 66 2.000 8.273 -5.490 1.00 63.23 C ATOM 1142 O ILE A 66 1.639 8.200 -6.663 1.00 3.21 O ATOM 1143 CB ILE A 66 4.457 7.712 -5.033 1.00 32.41 C ATOM 1144 CG1 ILE A 66 5.802 8.299 -4.598 1.00 34.42 C ATOM 1145 CG2 ILE A 66 4.571 6.929 -6.342 1.00 33.32 C ATOM 1146 CD1 ILE A 66 6.472 9.048 -5.751 1.00 42.45 C ATOM 0 H ILE A 66 3.583 9.042 -3.064 1.00 54.04 H new ATOM 0 HA ILE A 66 3.706 9.447 -5.959 1.00 32.11 H new ATOM 0 HB ILE A 66 4.148 7.006 -4.262 1.00 32.41 H new ATOM 0 HG12 ILE A 66 5.652 8.977 -3.758 1.00 34.42 H new ATOM 0 HG13 ILE A 66 6.456 7.500 -4.250 1.00 34.42 H new ATOM 0 HG21 ILE A 66 5.336 6.159 -6.240 1.00 33.32 H new ATOM 0 HG22 ILE A 66 3.613 6.461 -6.571 1.00 33.32 H new ATOM 0 HG23 ILE A 66 4.845 7.608 -7.149 1.00 33.32 H new ATOM 0 HD11 ILE A 66 7.426 9.455 -5.415 1.00 42.45 H new ATOM 0 HD12 ILE A 66 6.642 8.362 -6.580 1.00 42.45 H new ATOM 0 HD13 ILE A 66 5.826 9.862 -6.080 1.00 42.45 H new ATOM 1158 N ILE A 67 1.258 7.915 -4.453 1.00 34.24 N ATOM 1159 CA ILE A 67 -0.086 7.393 -4.638 1.00 32.34 C ATOM 1160 C ILE A 67 -0.998 8.513 -5.144 1.00 73.40 C ATOM 1161 O ILE A 67 -1.432 8.494 -6.295 1.00 52.31 O ATOM 1162 CB ILE A 67 -0.585 6.727 -3.355 1.00 45.44 C ATOM 1163 CG1 ILE A 67 0.093 5.370 -3.143 1.00 52.04 C ATOM 1164 CG2 ILE A 67 -2.110 6.613 -3.352 1.00 30.32 C ATOM 1165 CD1 ILE A 67 -0.271 4.396 -4.266 1.00 74.11 C ATOM 0 H ILE A 67 1.562 7.976 -3.481 1.00 34.24 H new ATOM 0 HA ILE A 67 -0.089 6.611 -5.397 1.00 32.34 H new ATOM 0 HB ILE A 67 -0.310 7.361 -2.512 1.00 45.44 H new ATOM 0 HG12 ILE A 67 1.174 5.501 -3.106 1.00 52.04 H new ATOM 0 HG13 ILE A 67 -0.210 4.954 -2.182 1.00 52.04 H new ATOM 0 HG21 ILE A 67 -2.437 6.136 -2.428 1.00 30.32 H new ATOM 0 HG22 ILE A 67 -2.549 7.608 -3.422 1.00 30.32 H new ATOM 0 HG23 ILE A 67 -2.432 6.014 -4.204 1.00 30.32 H new ATOM 0 HD11 ILE A 67 0.223 3.440 -4.093 1.00 74.11 H new ATOM 0 HD12 ILE A 67 -1.351 4.249 -4.284 1.00 74.11 H new ATOM 0 HD13 ILE A 67 0.055 4.805 -5.222 1.00 74.11 H new ATOM 1177 N ARG A 68 -1.263 9.462 -4.258 1.00 44.40 N ATOM 1178 CA ARG A 68 -2.115 10.588 -4.600 1.00 13.42 C ATOM 1179 C ARG A 68 -1.808 11.076 -6.018 1.00 51.22 C ATOM 1180 O ARG A 68 -2.681 11.618 -6.694 1.00 0.23 O ATOM 1181 CB ARG A 68 -1.922 11.744 -3.617 1.00 13.44 C ATOM 1182 CG ARG A 68 -0.515 11.723 -3.016 1.00 12.22 C ATOM 1183 CD ARG A 68 -0.133 13.099 -2.467 1.00 24.23 C ATOM 1184 NE ARG A 68 0.359 12.969 -1.077 1.00 63.13 N ATOM 1185 CZ ARG A 68 0.351 13.974 -0.174 1.00 75.11 C ATOM 1186 NH1 ARG A 68 -0.125 15.191 -0.509 1.00 73.42 N ATOM 1187 NH2 ARG A 68 0.814 13.746 1.041 1.00 64.55 N ATOM 0 H ARG A 68 -0.903 9.474 -3.304 1.00 44.40 H new ATOM 0 HA ARG A 68 -3.149 10.249 -4.545 1.00 13.42 H new ATOM 0 HB2 ARG A 68 -2.089 12.692 -4.128 1.00 13.44 H new ATOM 0 HB3 ARG A 68 -2.663 11.676 -2.820 1.00 13.44 H new ATOM 0 HG2 ARG A 68 -0.468 10.983 -2.217 1.00 12.22 H new ATOM 0 HG3 ARG A 68 0.204 11.418 -3.776 1.00 12.22 H new ATOM 0 HD2 ARG A 68 0.637 13.549 -3.094 1.00 24.23 H new ATOM 0 HD3 ARG A 68 -0.996 13.764 -2.496 1.00 24.23 H new ATOM 0 HE ARG A 68 0.727 12.064 -0.783 1.00 63.13 H new ATOM 0 HH11 ARG A 68 -0.482 15.358 -1.450 1.00 73.42 H new ATOM 0 HH12 ARG A 68 -0.128 15.945 0.178 1.00 73.42 H new ATOM 0 HH21 ARG A 68 1.171 12.822 1.286 1.00 64.55 H new ATOM 0 HH22 ARG A 68 0.815 14.494 1.735 1.00 64.55 H new ATOM 1200 N ARG A 69 -0.566 10.865 -6.425 1.00 52.40 N ATOM 1201 CA ARG A 69 -0.133 11.276 -7.749 1.00 45.24 C ATOM 1202 C ARG A 69 -0.844 10.449 -8.822 1.00 0.14 C ATOM 1203 O ARG A 69 -1.329 10.995 -9.811 1.00 4.20 O ATOM 1204 CB ARG A 69 1.381 11.113 -7.910 1.00 70.32 C ATOM 1205 CG ARG A 69 2.112 12.409 -7.558 1.00 44.21 C ATOM 1206 CD ARG A 69 2.255 13.309 -8.786 1.00 0.22 C ATOM 1207 NE ARG A 69 2.224 14.732 -8.378 1.00 10.40 N ATOM 1208 CZ ARG A 69 1.953 15.754 -9.217 1.00 73.23 C ATOM 1209 NH1 ARG A 69 1.687 15.520 -10.520 1.00 43.44 N ATOM 1210 NH2 ARG A 69 1.952 16.987 -8.745 1.00 11.44 N ATOM 0 H ARG A 69 0.155 10.415 -5.861 1.00 52.40 H new ATOM 0 HA ARG A 69 -0.389 12.329 -7.868 1.00 45.24 H new ATOM 0 HB2 ARG A 69 1.734 10.306 -7.268 1.00 70.32 H new ATOM 0 HB3 ARG A 69 1.613 10.828 -8.936 1.00 70.32 H new ATOM 0 HG2 ARG A 69 1.566 12.938 -6.777 1.00 44.21 H new ATOM 0 HG3 ARG A 69 3.098 12.177 -7.156 1.00 44.21 H new ATOM 0 HD2 ARG A 69 3.191 13.090 -9.300 1.00 0.22 H new ATOM 0 HD3 ARG A 69 1.449 13.107 -9.491 1.00 0.22 H new ATOM 0 HE ARG A 69 2.420 14.954 -7.402 1.00 10.40 H new ATOM 0 HH11 ARG A 69 1.690 14.565 -10.878 1.00 43.44 H new ATOM 0 HH12 ARG A 69 1.483 16.299 -11.147 1.00 43.44 H new ATOM 0 HH21 ARG A 69 2.154 17.156 -7.760 1.00 11.44 H new ATOM 0 HH22 ARG A 69 1.749 17.771 -9.366 1.00 11.44 H new ATOM 1223 N ARG A 70 -0.884 9.145 -8.588 1.00 44.14 N ATOM 1224 CA ARG A 70 -1.529 8.237 -9.522 1.00 12.55 C ATOM 1225 C ARG A 70 -3.008 8.596 -9.676 1.00 23.22 C ATOM 1226 O ARG A 70 -3.503 8.736 -10.793 1.00 5.20 O ATOM 1227 CB ARG A 70 -1.409 6.787 -9.050 1.00 25.13 C ATOM 1228 CG ARG A 70 0.015 6.475 -8.587 1.00 50.40 C ATOM 1229 CD ARG A 70 1.045 7.016 -9.582 1.00 24.25 C ATOM 1230 NE ARG A 70 0.575 6.793 -10.967 1.00 54.32 N ATOM 1231 CZ ARG A 70 0.976 7.525 -12.029 1.00 71.15 C ATOM 1232 NH1 ARG A 70 1.859 8.534 -11.872 1.00 51.00 N ATOM 1233 NH2 ARG A 70 0.491 7.240 -13.223 1.00 40.12 N ATOM 0 H ARG A 70 -0.481 8.696 -7.766 1.00 44.14 H new ATOM 0 HA ARG A 70 -1.026 8.337 -10.484 1.00 12.55 H new ATOM 0 HB2 ARG A 70 -2.108 6.608 -8.233 1.00 25.13 H new ATOM 0 HB3 ARG A 70 -1.687 6.113 -9.860 1.00 25.13 H new ATOM 0 HG2 ARG A 70 0.187 6.915 -7.605 1.00 50.40 H new ATOM 0 HG3 ARG A 70 0.139 5.397 -8.480 1.00 50.40 H new ATOM 0 HD2 ARG A 70 1.205 8.080 -9.410 1.00 24.25 H new ATOM 0 HD3 ARG A 70 2.004 6.521 -9.430 1.00 24.25 H new ATOM 0 HE ARG A 70 -0.093 6.040 -11.130 1.00 54.32 H new ATOM 0 HH11 ARG A 70 2.229 8.749 -10.946 1.00 51.00 H new ATOM 0 HH12 ARG A 70 2.156 9.082 -12.679 1.00 51.00 H new ATOM 0 HH21 ARG A 70 -0.176 6.477 -13.333 1.00 40.12 H new ATOM 0 HH22 ARG A 70 0.784 7.783 -14.035 1.00 40.12 H new ATOM 1246 N LEU A 71 -3.672 8.736 -8.538 1.00 54.34 N ATOM 1247 CA LEU A 71 -5.085 9.076 -8.533 1.00 61.25 C ATOM 1248 C LEU A 71 -5.277 10.446 -9.188 1.00 45.53 C ATOM 1249 O LEU A 71 -6.357 10.749 -9.692 1.00 31.41 O ATOM 1250 CB LEU A 71 -5.651 8.988 -7.114 1.00 11.24 C ATOM 1251 CG LEU A 71 -5.495 7.638 -6.412 1.00 72.23 C ATOM 1252 CD1 LEU A 71 -5.198 7.826 -4.922 1.00 40.55 C ATOM 1253 CD2 LEU A 71 -6.720 6.752 -6.644 1.00 31.15 C ATOM 0 H LEU A 71 -3.258 8.620 -7.613 1.00 54.34 H new ATOM 0 HA LEU A 71 -5.653 8.357 -9.124 1.00 61.25 H new ATOM 0 HB2 LEU A 71 -5.167 9.751 -6.503 1.00 11.24 H new ATOM 0 HB3 LEU A 71 -6.712 9.235 -7.151 1.00 11.24 H new ATOM 0 HG LEU A 71 -4.639 7.124 -6.850 1.00 72.23 H new ATOM 0 HD11 LEU A 71 -5.092 6.851 -4.446 1.00 40.55 H new ATOM 0 HD12 LEU A 71 -4.273 8.390 -4.804 1.00 40.55 H new ATOM 0 HD13 LEU A 71 -6.018 8.371 -4.454 1.00 40.55 H new ATOM 0 HD21 LEU A 71 -6.582 5.799 -6.134 1.00 31.15 H new ATOM 0 HD22 LEU A 71 -7.608 7.248 -6.251 1.00 31.15 H new ATOM 0 HD23 LEU A 71 -6.845 6.577 -7.712 1.00 31.15 H new ATOM 1265 N GLN A 72 -4.214 11.235 -9.159 1.00 1.14 N ATOM 1266 CA GLN A 72 -4.252 12.564 -9.744 1.00 2.32 C ATOM 1267 C GLN A 72 -5.527 13.295 -9.317 1.00 41.52 C ATOM 1268 O GLN A 72 -6.162 13.967 -10.128 1.00 73.52 O ATOM 1269 CB GLN A 72 -4.144 12.495 -11.269 1.00 45.04 C ATOM 1270 CG GLN A 72 -5.341 11.756 -11.871 1.00 10.21 C ATOM 1271 CD GLN A 72 -5.385 11.929 -13.391 1.00 21.30 C ATOM 1272 OE1 GLN A 72 -5.231 13.017 -13.921 1.00 5.54 O ATOM 1273 NE2 GLN A 72 -5.603 10.800 -14.058 1.00 53.14 N ATOM 0 H GLN A 72 -3.320 10.979 -8.739 1.00 1.14 H new ATOM 0 HA GLN A 72 -3.393 13.126 -9.377 1.00 2.32 H new ATOM 0 HB2 GLN A 72 -4.091 13.503 -11.679 1.00 45.04 H new ATOM 0 HB3 GLN A 72 -3.221 11.988 -11.549 1.00 45.04 H new ATOM 0 HG2 GLN A 72 -5.280 10.696 -11.624 1.00 10.21 H new ATOM 0 HG3 GLN A 72 -6.264 12.133 -11.432 1.00 10.21 H new ATOM 0 HE21 GLN A 72 -5.723 9.923 -13.551 1.00 53.14 H new ATOM 0 HE22 GLN A 72 -5.650 10.811 -15.077 1.00 53.14 H new ATOM 1282 N LEU A 73 -5.863 13.138 -8.045 1.00 45.22 N ATOM 1283 CA LEU A 73 -7.050 13.775 -7.501 1.00 53.22 C ATOM 1284 C LEU A 73 -6.791 15.274 -7.338 1.00 1.12 C ATOM 1285 O LEU A 73 -5.819 15.801 -7.876 1.00 24.52 O ATOM 1286 CB LEU A 73 -7.484 13.082 -6.207 1.00 60.03 C ATOM 1287 CG LEU A 73 -7.423 11.554 -6.213 1.00 42.11 C ATOM 1288 CD1 LEU A 73 -6.976 11.019 -4.850 1.00 2.10 C ATOM 1289 CD2 LEU A 73 -8.758 10.952 -6.655 1.00 40.04 C ATOM 0 H LEU A 73 -5.334 12.579 -7.376 1.00 45.22 H new ATOM 0 HA LEU A 73 -7.888 13.669 -8.190 1.00 53.22 H new ATOM 0 HB2 LEU A 73 -6.857 13.448 -5.394 1.00 60.03 H new ATOM 0 HB3 LEU A 73 -8.507 13.384 -5.981 1.00 60.03 H new ATOM 0 HG LEU A 73 -6.675 11.245 -6.943 1.00 42.11 H new ATOM 0 HD11 LEU A 73 -6.941 9.930 -4.880 1.00 2.10 H new ATOM 0 HD12 LEU A 73 -5.986 11.408 -4.614 1.00 2.10 H new ATOM 0 HD13 LEU A 73 -7.683 11.338 -4.084 1.00 2.10 H new ATOM 0 HD21 LEU A 73 -8.686 9.864 -6.650 1.00 40.04 H new ATOM 0 HD22 LEU A 73 -9.544 11.267 -5.969 1.00 40.04 H new ATOM 0 HD23 LEU A 73 -8.996 11.295 -7.662 1.00 40.04 H new ATOM 1301 N ASN A 74 -7.677 15.919 -6.594 1.00 35.22 N ATOM 1302 CA ASN A 74 -7.556 17.346 -6.354 1.00 74.20 C ATOM 1303 C ASN A 74 -7.385 17.594 -4.854 1.00 51.40 C ATOM 1304 O ASN A 74 -7.279 16.650 -4.073 1.00 1.13 O ATOM 1305 CB ASN A 74 -8.810 18.091 -6.816 1.00 44.21 C ATOM 1306 CG ASN A 74 -8.675 18.541 -8.273 1.00 42.24 C ATOM 1307 OD1 ASN A 74 -9.079 17.858 -9.200 1.00 33.31 O ATOM 1308 ND2 ASN A 74 -8.085 19.724 -8.421 1.00 1.30 N ATOM 0 H ASN A 74 -8.482 15.479 -6.149 1.00 35.22 H new ATOM 0 HA ASN A 74 -6.694 17.710 -6.913 1.00 74.20 H new ATOM 0 HB2 ASN A 74 -9.681 17.444 -6.711 1.00 44.21 H new ATOM 0 HB3 ASN A 74 -8.978 18.958 -6.178 1.00 44.21 H new ATOM 0 HD21 ASN A 74 -7.947 20.112 -9.354 1.00 1.30 H new ATOM 0 HD22 ASN A 74 -7.771 20.243 -7.601 1.00 1.30 H new ATOM 1315 N ALA A 75 -7.365 18.870 -4.495 1.00 12.11 N ATOM 1316 CA ALA A 75 -7.209 19.254 -3.103 1.00 24.42 C ATOM 1317 C ALA A 75 -8.539 19.061 -2.373 1.00 44.43 C ATOM 1318 O ALA A 75 -8.583 19.054 -1.144 1.00 11.42 O ATOM 1319 CB ALA A 75 -6.704 20.695 -3.024 1.00 14.40 C ATOM 0 H ALA A 75 -7.454 19.651 -5.145 1.00 12.11 H new ATOM 0 HA ALA A 75 -6.469 18.622 -2.612 1.00 24.42 H new ATOM 0 HB1 ALA A 75 -6.587 20.983 -1.979 1.00 14.40 H new ATOM 0 HB2 ALA A 75 -5.742 20.772 -3.531 1.00 14.40 H new ATOM 0 HB3 ALA A 75 -7.422 21.359 -3.505 1.00 14.40 H new ATOM 1325 N ASN A 76 -9.594 18.909 -3.162 1.00 1.33 N ATOM 1326 CA ASN A 76 -10.923 18.718 -2.606 1.00 24.12 C ATOM 1327 C ASN A 76 -11.119 17.239 -2.263 1.00 74.34 C ATOM 1328 O ASN A 76 -11.987 16.893 -1.463 1.00 61.04 O ATOM 1329 CB ASN A 76 -12.003 19.117 -3.612 1.00 13.50 C ATOM 1330 CG ASN A 76 -12.362 20.599 -3.473 1.00 64.51 C ATOM 1331 OD1 ASN A 76 -13.128 20.999 -2.613 1.00 13.31 O ATOM 1332 ND2 ASN A 76 -11.766 21.385 -4.365 1.00 33.55 N ATOM 0 H ASN A 76 -9.555 18.914 -4.181 1.00 1.33 H new ATOM 0 HA ASN A 76 -11.010 19.343 -1.717 1.00 24.12 H new ATOM 0 HB2 ASN A 76 -11.653 18.917 -4.625 1.00 13.50 H new ATOM 0 HB3 ASN A 76 -12.893 18.507 -3.456 1.00 13.50 H new ATOM 0 HD21 ASN A 76 -11.940 22.390 -4.356 1.00 33.55 H new ATOM 0 HD22 ASN A 76 -11.135 20.983 -5.058 1.00 33.55 H new ATOM 1339 N GLN A 77 -10.298 16.407 -2.886 1.00 5.11 N ATOM 1340 CA GLN A 77 -10.370 14.974 -2.657 1.00 23.14 C ATOM 1341 C GLN A 77 -9.429 14.569 -1.520 1.00 75.30 C ATOM 1342 O GLN A 77 -8.282 15.012 -1.472 1.00 22.03 O ATOM 1343 CB GLN A 77 -10.049 14.196 -3.936 1.00 64.02 C ATOM 1344 CG GLN A 77 -9.875 12.706 -3.643 1.00 4.53 C ATOM 1345 CD GLN A 77 -11.215 12.054 -3.300 1.00 63.11 C ATOM 1346 OE1 GLN A 77 -12.126 11.983 -4.109 1.00 32.13 O ATOM 1347 NE2 GLN A 77 -11.285 11.581 -2.059 1.00 2.12 N ATOM 0 H GLN A 77 -9.580 16.698 -3.549 1.00 5.11 H new ATOM 0 HA GLN A 77 -11.390 14.725 -2.365 1.00 23.14 H new ATOM 0 HB2 GLN A 77 -10.850 14.336 -4.662 1.00 64.02 H new ATOM 0 HB3 GLN A 77 -9.138 14.590 -4.387 1.00 64.02 H new ATOM 0 HG2 GLN A 77 -9.437 12.210 -4.509 1.00 4.53 H new ATOM 0 HG3 GLN A 77 -9.180 12.574 -2.814 1.00 4.53 H new ATOM 0 HE21 GLN A 77 -10.486 11.673 -1.432 1.00 2.12 H new ATOM 0 HE22 GLN A 77 -12.138 11.126 -1.734 1.00 2.12 H new ATOM 1356 N ALA A 78 -9.948 13.733 -0.634 1.00 0.35 N ATOM 1357 CA ALA A 78 -9.168 13.264 0.499 1.00 43.41 C ATOM 1358 C ALA A 78 -8.691 11.836 0.228 1.00 61.31 C ATOM 1359 O ALA A 78 -9.486 10.970 -0.133 1.00 75.30 O ATOM 1360 CB ALA A 78 -10.009 13.366 1.774 1.00 61.34 C ATOM 0 H ALA A 78 -10.899 13.368 -0.677 1.00 0.35 H new ATOM 0 HA ALA A 78 -8.284 13.885 0.640 1.00 43.41 H new ATOM 0 HB1 ALA A 78 -9.425 13.014 2.624 1.00 61.34 H new ATOM 0 HB2 ALA A 78 -10.298 14.404 1.937 1.00 61.34 H new ATOM 0 HB3 ALA A 78 -10.904 12.752 1.670 1.00 61.34 H new ATOM 1366 N PHE A 79 -7.395 11.634 0.414 1.00 75.54 N ATOM 1367 CA PHE A 79 -6.802 10.326 0.193 1.00 50.43 C ATOM 1368 C PHE A 79 -5.931 9.912 1.382 1.00 43.02 C ATOM 1369 O PHE A 79 -5.148 10.712 1.890 1.00 63.34 O ATOM 1370 CB PHE A 79 -5.923 10.437 -1.054 1.00 54.22 C ATOM 1371 CG PHE A 79 -4.665 9.567 -1.009 1.00 64.41 C ATOM 1372 CD1 PHE A 79 -4.774 8.212 -1.044 1.00 44.31 C ATOM 1373 CD2 PHE A 79 -3.439 10.149 -0.932 1.00 41.31 C ATOM 1374 CE1 PHE A 79 -3.607 7.405 -1.002 1.00 23.15 C ATOM 1375 CE2 PHE A 79 -2.270 9.342 -0.890 1.00 70.15 C ATOM 1376 CZ PHE A 79 -2.379 7.987 -0.926 1.00 20.55 C ATOM 0 H PHE A 79 -6.739 12.354 0.715 1.00 75.54 H new ATOM 0 HA PHE A 79 -7.585 9.578 0.072 1.00 50.43 H new ATOM 0 HB2 PHE A 79 -6.513 10.160 -1.928 1.00 54.22 H new ATOM 0 HB3 PHE A 79 -5.628 11.478 -1.186 1.00 54.22 H new ATOM 0 HD1 PHE A 79 -5.748 7.750 -1.104 1.00 44.31 H new ATOM 0 HD2 PHE A 79 -3.353 11.225 -0.903 1.00 41.31 H new ATOM 0 HE1 PHE A 79 -3.694 6.329 -1.030 1.00 23.15 H new ATOM 0 HE2 PHE A 79 -1.296 9.804 -0.830 1.00 70.15 H new ATOM 0 HZ PHE A 79 -1.491 7.373 -0.894 1.00 20.55 H new ATOM 1386 N PHE A 80 -6.096 8.662 1.789 1.00 13.24 N ATOM 1387 CA PHE A 80 -5.335 8.132 2.907 1.00 53.43 C ATOM 1388 C PHE A 80 -4.968 6.665 2.674 1.00 1.31 C ATOM 1389 O PHE A 80 -5.839 5.838 2.411 1.00 11.12 O ATOM 1390 CB PHE A 80 -6.229 8.232 4.143 1.00 51.05 C ATOM 1391 CG PHE A 80 -6.296 9.635 4.752 1.00 52.55 C ATOM 1392 CD1 PHE A 80 -5.148 10.305 5.041 1.00 23.51 C ATOM 1393 CD2 PHE A 80 -7.501 10.211 5.002 1.00 20.11 C ATOM 1394 CE1 PHE A 80 -5.210 11.606 5.606 1.00 25.31 C ATOM 1395 CE2 PHE A 80 -7.563 11.513 5.566 1.00 2.11 C ATOM 1396 CZ PHE A 80 -6.416 12.183 5.856 1.00 53.22 C ATOM 0 H PHE A 80 -6.746 8.001 1.364 1.00 13.24 H new ATOM 0 HA PHE A 80 -4.409 8.695 3.028 1.00 53.43 H new ATOM 0 HB2 PHE A 80 -7.237 7.915 3.876 1.00 51.05 H new ATOM 0 HB3 PHE A 80 -5.865 7.536 4.899 1.00 51.05 H new ATOM 0 HD1 PHE A 80 -4.190 9.848 4.841 1.00 23.51 H new ATOM 0 HD2 PHE A 80 -8.412 9.679 4.772 1.00 20.11 H new ATOM 0 HE1 PHE A 80 -4.299 12.138 5.837 1.00 25.31 H new ATOM 0 HE2 PHE A 80 -8.521 11.971 5.764 1.00 2.11 H new ATOM 0 HZ PHE A 80 -6.463 13.173 6.285 1.00 53.22 H new ATOM 1406 N LEU A 81 -3.677 6.386 2.779 1.00 13.24 N ATOM 1407 CA LEU A 81 -3.184 5.034 2.584 1.00 10.45 C ATOM 1408 C LEU A 81 -3.122 4.318 3.935 1.00 41.41 C ATOM 1409 O LEU A 81 -2.426 4.766 4.847 1.00 2.13 O ATOM 1410 CB LEU A 81 -1.850 5.052 1.836 1.00 51.24 C ATOM 1411 CG LEU A 81 -1.373 3.708 1.282 1.00 41.44 C ATOM 1412 CD1 LEU A 81 -2.545 2.743 1.101 1.00 70.10 C ATOM 1413 CD2 LEU A 81 -0.580 3.898 -0.013 1.00 32.24 C ATOM 0 H LEU A 81 -2.957 7.075 2.997 1.00 13.24 H new ATOM 0 HA LEU A 81 -3.869 4.467 1.953 1.00 10.45 H new ATOM 0 HB2 LEU A 81 -1.930 5.756 1.008 1.00 51.24 H new ATOM 0 HB3 LEU A 81 -1.084 5.437 2.509 1.00 51.24 H new ATOM 0 HG LEU A 81 -0.697 3.259 2.010 1.00 41.44 H new ATOM 0 HD11 LEU A 81 -2.178 1.795 0.706 1.00 70.10 H new ATOM 0 HD12 LEU A 81 -3.028 2.573 2.063 1.00 70.10 H new ATOM 0 HD13 LEU A 81 -3.265 3.172 0.404 1.00 70.10 H new ATOM 0 HD21 LEU A 81 -0.253 2.927 -0.385 1.00 32.24 H new ATOM 0 HD22 LEU A 81 -1.212 4.379 -0.760 1.00 32.24 H new ATOM 0 HD23 LEU A 81 0.291 4.524 0.182 1.00 32.24 H new ATOM 1425 N LEU A 82 -3.856 3.220 4.022 1.00 11.13 N ATOM 1426 CA LEU A 82 -3.893 2.438 5.245 1.00 2.41 C ATOM 1427 C LEU A 82 -2.902 1.277 5.136 1.00 23.30 C ATOM 1428 O LEU A 82 -3.155 0.307 4.422 1.00 74.12 O ATOM 1429 CB LEU A 82 -5.325 1.996 5.557 1.00 22.52 C ATOM 1430 CG LEU A 82 -6.267 3.089 6.069 1.00 4.22 C ATOM 1431 CD1 LEU A 82 -5.608 3.901 7.186 1.00 24.35 C ATOM 1432 CD2 LEU A 82 -6.751 3.977 4.922 1.00 2.33 C ATOM 0 H LEU A 82 -4.431 2.852 3.264 1.00 11.13 H new ATOM 0 HA LEU A 82 -3.579 3.046 6.093 1.00 2.41 H new ATOM 0 HB2 LEU A 82 -5.757 1.566 4.653 1.00 22.52 H new ATOM 0 HB3 LEU A 82 -5.285 1.200 6.301 1.00 22.52 H new ATOM 0 HG LEU A 82 -7.147 2.609 6.497 1.00 4.22 H new ATOM 0 HD11 LEU A 82 -6.298 4.671 7.532 1.00 24.35 H new ATOM 0 HD12 LEU A 82 -5.355 3.241 8.016 1.00 24.35 H new ATOM 0 HD13 LEU A 82 -4.700 4.371 6.807 1.00 24.35 H new ATOM 0 HD21 LEU A 82 -7.418 4.745 5.313 1.00 2.33 H new ATOM 0 HD22 LEU A 82 -5.895 4.451 4.442 1.00 2.33 H new ATOM 0 HD23 LEU A 82 -7.286 3.369 4.192 1.00 2.33 H new ATOM 1444 N VAL A 83 -1.796 1.415 5.851 1.00 23.42 N ATOM 1445 CA VAL A 83 -0.766 0.390 5.841 1.00 54.23 C ATOM 1446 C VAL A 83 -1.245 -0.815 6.654 1.00 0.12 C ATOM 1447 O VAL A 83 -1.307 -0.756 7.880 1.00 11.13 O ATOM 1448 CB VAL A 83 0.555 0.970 6.354 1.00 55.34 C ATOM 1449 CG1 VAL A 83 1.498 -0.141 6.818 1.00 75.33 C ATOM 1450 CG2 VAL A 83 1.218 1.845 5.288 1.00 25.30 C ATOM 0 H VAL A 83 -1.590 2.221 6.441 1.00 23.42 H new ATOM 0 HA VAL A 83 -0.581 0.044 4.824 1.00 54.23 H new ATOM 0 HB VAL A 83 0.334 1.601 7.215 1.00 55.34 H new ATOM 0 HG11 VAL A 83 2.429 0.298 7.177 1.00 75.33 H new ATOM 0 HG12 VAL A 83 1.028 -0.705 7.624 1.00 75.33 H new ATOM 0 HG13 VAL A 83 1.711 -0.810 5.984 1.00 75.33 H new ATOM 0 HG21 VAL A 83 2.154 2.245 5.677 1.00 25.30 H new ATOM 0 HG22 VAL A 83 1.420 1.246 4.400 1.00 25.30 H new ATOM 0 HG23 VAL A 83 0.552 2.668 5.027 1.00 25.30 H new ATOM 1460 N ASN A 84 -1.571 -1.880 5.936 1.00 71.21 N ATOM 1461 CA ASN A 84 -2.041 -3.097 6.575 1.00 22.42 C ATOM 1462 C ASN A 84 -3.426 -2.848 7.178 1.00 41.23 C ATOM 1463 O ASN A 84 -3.950 -3.690 7.906 1.00 15.22 O ATOM 1464 CB ASN A 84 -1.104 -3.524 7.705 1.00 70.52 C ATOM 1465 CG ASN A 84 -0.383 -4.828 7.355 1.00 20.31 C ATOM 1466 OD1 ASN A 84 0.728 -4.658 6.644 1.00 32.51 O flip ATOM 1467 ND2 ASN A 84 -0.807 -5.916 7.709 1.00 73.33 N flip ATOM 0 H ASN A 84 -1.519 -1.925 4.918 1.00 71.21 H new ATOM 0 HA ASN A 84 -2.076 -3.882 5.820 1.00 22.42 H new ATOM 0 HB2 ASN A 84 -0.372 -2.738 7.892 1.00 70.52 H new ATOM 0 HB3 ASN A 84 -1.674 -3.655 8.625 1.00 70.52 H new ATOM 0 HD21 ASN A 84 -1.667 -5.975 8.254 1.00 73.33 H new ATOM 0 HD22 ASN A 84 -0.301 -6.766 7.460 1.00 73.33 H new ATOM 1474 N GLY A 85 -3.980 -1.690 6.850 1.00 4.15 N ATOM 1475 CA GLY A 85 -5.293 -1.320 7.351 1.00 4.21 C ATOM 1476 C GLY A 85 -5.184 -0.245 8.433 1.00 61.15 C ATOM 1477 O GLY A 85 -6.180 0.116 9.058 1.00 20.01 O ATOM 0 H GLY A 85 -3.544 -0.996 6.243 1.00 4.15 H new ATOM 0 HA2 GLY A 85 -5.909 -0.953 6.530 1.00 4.21 H new ATOM 0 HA3 GLY A 85 -5.793 -2.200 7.757 1.00 4.21 H new ATOM 1481 N HIS A 86 -3.965 0.239 8.623 1.00 25.23 N ATOM 1482 CA HIS A 86 -3.714 1.267 9.618 1.00 11.12 C ATOM 1483 C HIS A 86 -3.006 2.455 8.963 1.00 50.33 C ATOM 1484 O HIS A 86 -2.116 2.271 8.133 1.00 50.41 O ATOM 1485 CB HIS A 86 -2.936 0.693 10.805 1.00 31.02 C ATOM 1486 CG HIS A 86 -1.691 -0.068 10.414 1.00 33.33 C ATOM 1487 ND1 HIS A 86 -0.517 0.559 10.036 1.00 72.14 N ATOM 1488 CD2 HIS A 86 -1.452 -1.409 10.347 1.00 74.02 C ATOM 1489 CE1 HIS A 86 0.382 -0.373 9.756 1.00 52.33 C ATOM 1490 NE2 HIS A 86 -0.199 -1.591 9.948 1.00 4.14 N ATOM 0 H HIS A 86 -3.140 -0.062 8.104 1.00 25.23 H new ATOM 0 HA HIS A 86 -4.660 1.630 10.018 1.00 11.12 H new ATOM 0 HB2 HIS A 86 -2.656 1.509 11.471 1.00 31.02 H new ATOM 0 HB3 HIS A 86 -3.592 0.031 11.370 1.00 31.02 H new ATOM 0 HD2 HIS A 86 -2.161 -2.190 10.579 1.00 74.02 H new ATOM 0 HE1 HIS A 86 1.397 -0.198 9.432 1.00 52.33 H new ATOM 0 HE2 HIS A 86 0.254 -2.494 9.808 1.00 4.14 H new ATOM 1498 N SER A 87 -3.427 3.646 9.362 1.00 21.12 N ATOM 1499 CA SER A 87 -2.844 4.864 8.823 1.00 35.33 C ATOM 1500 C SER A 87 -1.335 4.877 9.073 1.00 12.03 C ATOM 1501 O SER A 87 -0.824 4.071 9.851 1.00 44.20 O ATOM 1502 CB SER A 87 -3.495 6.104 9.439 1.00 21.01 C ATOM 1503 OG SER A 87 -2.877 6.478 10.667 1.00 72.54 O ATOM 0 H SER A 87 -4.164 3.794 10.051 1.00 21.12 H new ATOM 0 HA SER A 87 -3.028 4.886 7.749 1.00 35.33 H new ATOM 0 HB2 SER A 87 -3.433 6.934 8.735 1.00 21.01 H new ATOM 0 HB3 SER A 87 -4.554 5.910 9.611 1.00 21.01 H new ATOM 0 HG SER A 87 -3.414 7.170 11.106 1.00 72.54 H new ATOM 1509 N MET A 88 -0.664 5.799 8.400 1.00 23.44 N ATOM 1510 CA MET A 88 0.777 5.928 8.540 1.00 70.11 C ATOM 1511 C MET A 88 1.162 7.346 8.966 1.00 34.21 C ATOM 1512 O MET A 88 2.314 7.751 8.818 1.00 30.24 O ATOM 1513 CB MET A 88 1.451 5.593 7.208 1.00 23.21 C ATOM 1514 CG MET A 88 0.668 6.187 6.033 1.00 12.04 C ATOM 1515 SD MET A 88 0.752 7.969 6.081 1.00 73.31 S ATOM 1516 CE MET A 88 -0.961 8.350 6.410 1.00 51.33 C ATOM 0 H MET A 88 -1.091 6.465 7.756 1.00 23.44 H new ATOM 0 HA MET A 88 1.112 5.234 9.311 1.00 70.11 H new ATOM 0 HB2 MET A 88 2.470 5.981 7.204 1.00 23.21 H new ATOM 0 HB3 MET A 88 1.521 4.511 7.093 1.00 23.21 H new ATOM 0 HG2 MET A 88 1.076 5.821 5.091 1.00 12.04 H new ATOM 0 HG3 MET A 88 -0.372 5.863 6.077 1.00 12.04 H new ATOM 0 HE1 MET A 88 -1.225 9.289 5.923 1.00 51.33 H new ATOM 0 HE2 MET A 88 -1.592 7.550 6.023 1.00 51.33 H new ATOM 0 HE3 MET A 88 -1.113 8.444 7.485 1.00 51.33 H new ATOM 1526 N VAL A 89 0.176 8.062 9.486 1.00 62.44 N ATOM 1527 CA VAL A 89 0.397 9.426 9.934 1.00 62.21 C ATOM 1528 C VAL A 89 1.665 9.478 10.789 1.00 24.13 C ATOM 1529 O VAL A 89 2.304 10.523 10.895 1.00 1.15 O ATOM 1530 CB VAL A 89 -0.842 9.942 10.670 1.00 72.11 C ATOM 1531 CG1 VAL A 89 -2.120 9.582 9.911 1.00 53.23 C ATOM 1532 CG2 VAL A 89 -0.886 9.414 12.105 1.00 72.21 C ATOM 0 H VAL A 89 -0.778 7.723 9.607 1.00 62.44 H new ATOM 0 HA VAL A 89 0.552 10.088 9.082 1.00 62.21 H new ATOM 0 HB VAL A 89 -0.777 11.029 10.716 1.00 72.11 H new ATOM 0 HG11 VAL A 89 -2.985 9.960 10.455 1.00 53.23 H new ATOM 0 HG12 VAL A 89 -2.092 10.030 8.918 1.00 53.23 H new ATOM 0 HG13 VAL A 89 -2.195 8.499 9.818 1.00 53.23 H new ATOM 0 HG21 VAL A 89 -1.776 9.795 12.606 1.00 72.21 H new ATOM 0 HG22 VAL A 89 -0.916 8.325 12.091 1.00 72.21 H new ATOM 0 HG23 VAL A 89 0.003 9.745 12.642 1.00 72.21 H new ATOM 1542 N SER A 90 1.991 8.337 11.377 1.00 43.15 N ATOM 1543 CA SER A 90 3.171 8.239 12.219 1.00 5.54 C ATOM 1544 C SER A 90 4.299 7.540 11.459 1.00 40.34 C ATOM 1545 O SER A 90 5.041 6.743 12.034 1.00 35.33 O ATOM 1546 CB SER A 90 2.861 7.489 13.517 1.00 14.32 C ATOM 1547 OG SER A 90 2.467 6.141 13.273 1.00 2.52 O ATOM 0 H SER A 90 1.458 7.472 11.287 1.00 43.15 H new ATOM 0 HA SER A 90 3.489 9.248 12.481 1.00 5.54 H new ATOM 0 HB2 SER A 90 3.741 7.499 14.161 1.00 14.32 H new ATOM 0 HB3 SER A 90 2.067 8.007 14.055 1.00 14.32 H new ATOM 0 HG SER A 90 2.280 5.696 14.126 1.00 2.52 H new ATOM 1553 N VAL A 91 4.397 7.866 10.178 1.00 73.43 N ATOM 1554 CA VAL A 91 5.423 7.279 9.334 1.00 23.12 C ATOM 1555 C VAL A 91 6.727 7.165 10.126 1.00 2.11 C ATOM 1556 O VAL A 91 7.031 6.109 10.679 1.00 34.04 O ATOM 1557 CB VAL A 91 5.575 8.098 8.049 1.00 41.51 C ATOM 1558 CG1 VAL A 91 5.332 9.585 8.316 1.00 4.23 C ATOM 1559 CG2 VAL A 91 6.947 7.871 7.414 1.00 15.53 C ATOM 0 H VAL A 91 3.783 8.529 9.705 1.00 73.43 H new ATOM 0 HA VAL A 91 5.137 6.272 9.031 1.00 23.12 H new ATOM 0 HB VAL A 91 4.819 7.757 7.342 1.00 41.51 H new ATOM 0 HG11 VAL A 91 5.446 10.145 7.388 1.00 4.23 H new ATOM 0 HG12 VAL A 91 4.323 9.725 8.703 1.00 4.23 H new ATOM 0 HG13 VAL A 91 6.054 9.946 9.048 1.00 4.23 H new ATOM 0 HG21 VAL A 91 7.029 8.464 6.503 1.00 15.53 H new ATOM 0 HG22 VAL A 91 7.726 8.172 8.114 1.00 15.53 H new ATOM 0 HG23 VAL A 91 7.065 6.815 7.171 1.00 15.53 H new ATOM 1569 N SER A 92 7.462 8.267 10.157 1.00 1.13 N ATOM 1570 CA SER A 92 8.726 8.304 10.873 1.00 51.40 C ATOM 1571 C SER A 92 9.468 6.978 10.695 1.00 74.42 C ATOM 1572 O SER A 92 10.220 6.560 11.573 1.00 22.05 O ATOM 1573 CB SER A 92 8.509 8.595 12.359 1.00 12.45 C ATOM 1574 OG SER A 92 9.651 9.198 12.958 1.00 11.51 O ATOM 0 H SER A 92 7.206 9.141 9.698 1.00 1.13 H new ATOM 0 HA SER A 92 9.331 9.110 10.457 1.00 51.40 H new ATOM 0 HB2 SER A 92 7.648 9.253 12.477 1.00 12.45 H new ATOM 0 HB3 SER A 92 8.275 7.666 12.880 1.00 12.45 H new ATOM 0 HG SER A 92 9.471 9.369 13.906 1.00 11.51 H new ATOM 1580 N THR A 93 9.230 6.353 9.550 1.00 61.14 N ATOM 1581 CA THR A 93 9.866 5.083 9.244 1.00 63.22 C ATOM 1582 C THR A 93 10.009 4.908 7.732 1.00 21.35 C ATOM 1583 O THR A 93 9.105 5.258 6.975 1.00 40.15 O ATOM 1584 CB THR A 93 9.050 3.973 9.910 1.00 14.31 C ATOM 1585 OG1 THR A 93 9.004 4.351 11.283 1.00 4.41 O ATOM 1586 CG2 THR A 93 9.783 2.631 9.917 1.00 72.01 C ATOM 0 H THR A 93 8.605 6.703 8.824 1.00 61.14 H new ATOM 0 HA THR A 93 10.880 5.043 9.641 1.00 63.22 H new ATOM 0 HB THR A 93 8.097 3.863 9.392 1.00 14.31 H new ATOM 0 HG1 THR A 93 8.222 4.920 11.440 1.00 4.41 H new ATOM 0 HG21 THR A 93 9.160 1.879 10.401 1.00 72.01 H new ATOM 0 HG22 THR A 93 9.991 2.325 8.892 1.00 72.01 H new ATOM 0 HG23 THR A 93 10.721 2.732 10.463 1.00 72.01 H new ATOM 1594 N PRO A 94 11.182 4.353 7.325 1.00 14.14 N ATOM 1595 CA PRO A 94 11.455 4.127 5.916 1.00 74.20 C ATOM 1596 C PRO A 94 10.665 2.928 5.390 1.00 15.02 C ATOM 1597 O PRO A 94 10.580 1.897 6.054 1.00 45.33 O ATOM 1598 CB PRO A 94 12.960 3.930 5.834 1.00 44.34 C ATOM 1599 CG PRO A 94 13.413 3.589 7.245 1.00 22.42 C ATOM 1600 CD PRO A 94 12.275 3.926 8.193 1.00 54.04 C ATOM 0 HA PRO A 94 11.141 4.960 5.287 1.00 74.20 H new ATOM 0 HB2 PRO A 94 13.212 3.129 5.139 1.00 44.34 H new ATOM 0 HB3 PRO A 94 13.453 4.833 5.473 1.00 44.34 H new ATOM 0 HG2 PRO A 94 13.671 2.533 7.318 1.00 22.42 H new ATOM 0 HG3 PRO A 94 14.308 4.154 7.506 1.00 22.42 H new ATOM 0 HD2 PRO A 94 11.990 3.061 8.792 1.00 54.04 H new ATOM 0 HD3 PRO A 94 12.560 4.716 8.888 1.00 54.04 H new ATOM 1608 N ILE A 95 10.107 3.104 4.201 1.00 43.23 N ATOM 1609 CA ILE A 95 9.326 2.049 3.577 1.00 11.34 C ATOM 1610 C ILE A 95 10.065 0.718 3.727 1.00 4.52 C ATOM 1611 O ILE A 95 9.439 -0.335 3.837 1.00 11.01 O ATOM 1612 CB ILE A 95 8.999 2.411 2.127 1.00 53.24 C ATOM 1613 CG1 ILE A 95 7.856 1.546 1.591 1.00 71.40 C ATOM 1614 CG2 ILE A 95 10.246 2.324 1.245 1.00 74.51 C ATOM 1615 CD1 ILE A 95 6.696 2.413 1.098 1.00 23.35 C ATOM 0 H ILE A 95 10.180 3.961 3.653 1.00 43.23 H new ATOM 0 HA ILE A 95 8.364 1.939 4.078 1.00 11.34 H new ATOM 0 HB ILE A 95 8.659 3.446 2.102 1.00 53.24 H new ATOM 0 HG12 ILE A 95 8.220 0.921 0.775 1.00 71.40 H new ATOM 0 HG13 ILE A 95 7.505 0.875 2.375 1.00 71.40 H new ATOM 0 HG21 ILE A 95 9.985 2.586 0.220 1.00 74.51 H new ATOM 0 HG22 ILE A 95 11.003 3.016 1.615 1.00 74.51 H new ATOM 0 HG23 ILE A 95 10.640 1.308 1.271 1.00 74.51 H new ATOM 0 HD11 ILE A 95 5.897 1.773 0.722 1.00 23.35 H new ATOM 0 HD12 ILE A 95 6.319 3.019 1.922 1.00 23.35 H new ATOM 0 HD13 ILE A 95 7.044 3.066 0.298 1.00 23.35 H new ATOM 1627 N SER A 96 11.386 0.807 3.726 1.00 11.42 N ATOM 1628 CA SER A 96 12.217 -0.377 3.861 1.00 51.52 C ATOM 1629 C SER A 96 11.878 -1.110 5.160 1.00 41.31 C ATOM 1630 O SER A 96 11.740 -2.332 5.171 1.00 24.42 O ATOM 1631 CB SER A 96 13.703 -0.014 3.828 1.00 73.11 C ATOM 1632 OG SER A 96 14.126 0.615 5.035 1.00 50.12 O ATOM 0 H SER A 96 11.902 1.682 3.634 1.00 11.42 H new ATOM 0 HA SER A 96 12.013 -1.035 3.017 1.00 51.52 H new ATOM 0 HB2 SER A 96 14.293 -0.916 3.663 1.00 73.11 H new ATOM 0 HB3 SER A 96 13.895 0.651 2.986 1.00 73.11 H new ATOM 0 HG SER A 96 15.080 0.829 4.975 1.00 50.12 H new ATOM 1638 N GLU A 97 11.753 -0.331 6.225 1.00 73.25 N ATOM 1639 CA GLU A 97 11.432 -0.891 7.528 1.00 22.40 C ATOM 1640 C GLU A 97 9.942 -1.232 7.606 1.00 74.43 C ATOM 1641 O GLU A 97 9.576 -2.345 7.983 1.00 53.53 O ATOM 1642 CB GLU A 97 11.834 0.068 8.650 1.00 24.31 C ATOM 1643 CG GLU A 97 13.351 0.072 8.850 1.00 14.32 C ATOM 1644 CD GLU A 97 13.719 0.613 10.233 1.00 13.10 C ATOM 1645 OE1 GLU A 97 13.065 1.540 10.731 1.00 33.11 O ATOM 1646 OE2 GLU A 97 14.726 0.033 10.795 1.00 21.14 O ATOM 0 H GLU A 97 11.868 0.682 6.213 1.00 73.25 H new ATOM 0 HA GLU A 97 12.003 -1.810 7.658 1.00 22.40 H new ATOM 0 HB2 GLU A 97 11.492 1.075 8.412 1.00 24.31 H new ATOM 0 HB3 GLU A 97 11.342 -0.225 9.577 1.00 24.31 H new ATOM 0 HG2 GLU A 97 13.739 -0.940 8.736 1.00 14.32 H new ATOM 0 HG3 GLU A 97 13.822 0.683 8.079 1.00 14.32 H new ATOM 1654 N VAL A 98 9.124 -0.255 7.245 1.00 73.03 N ATOM 1655 CA VAL A 98 7.682 -0.438 7.270 1.00 14.31 C ATOM 1656 C VAL A 98 7.324 -1.732 6.534 1.00 14.23 C ATOM 1657 O VAL A 98 6.390 -2.432 6.920 1.00 62.31 O ATOM 1658 CB VAL A 98 6.988 0.793 6.686 1.00 13.13 C ATOM 1659 CG1 VAL A 98 5.530 0.486 6.337 1.00 53.03 C ATOM 1660 CG2 VAL A 98 7.084 1.982 7.644 1.00 53.40 C ATOM 0 H VAL A 98 9.432 0.666 6.933 1.00 73.03 H new ATOM 0 HA VAL A 98 7.327 -0.538 8.296 1.00 14.31 H new ATOM 0 HB VAL A 98 7.503 1.063 5.764 1.00 13.13 H new ATOM 0 HG11 VAL A 98 5.059 1.378 5.924 1.00 53.03 H new ATOM 0 HG12 VAL A 98 5.493 -0.318 5.602 1.00 53.03 H new ATOM 0 HG13 VAL A 98 4.997 0.179 7.237 1.00 53.03 H new ATOM 0 HG21 VAL A 98 6.583 2.844 7.205 1.00 53.40 H new ATOM 0 HG22 VAL A 98 6.606 1.727 8.590 1.00 53.40 H new ATOM 0 HG23 VAL A 98 8.132 2.223 7.821 1.00 53.40 H new ATOM 1670 N TYR A 99 8.088 -2.010 5.487 1.00 23.41 N ATOM 1671 CA TYR A 99 7.863 -3.206 4.694 1.00 72.23 C ATOM 1672 C TYR A 99 8.440 -4.442 5.389 1.00 41.42 C ATOM 1673 O TYR A 99 7.839 -5.514 5.357 1.00 44.51 O ATOM 1674 CB TYR A 99 8.606 -2.984 3.376 1.00 73.42 C ATOM 1675 CG TYR A 99 8.863 -4.267 2.583 1.00 71.20 C ATOM 1676 CD1 TYR A 99 9.879 -5.121 2.962 1.00 72.44 C ATOM 1677 CD2 TYR A 99 8.080 -4.570 1.488 1.00 10.12 C ATOM 1678 CE1 TYR A 99 10.122 -6.328 2.215 1.00 65.15 C ATOM 1679 CE2 TYR A 99 8.322 -5.777 0.740 1.00 13.41 C ATOM 1680 CZ TYR A 99 9.331 -6.597 1.141 1.00 12.34 C ATOM 1681 OH TYR A 99 9.560 -7.737 0.437 1.00 34.03 O ATOM 0 H TYR A 99 8.863 -1.427 5.170 1.00 23.41 H new ATOM 0 HA TYR A 99 6.796 -3.375 4.549 1.00 72.23 H new ATOM 0 HB2 TYR A 99 8.030 -2.296 2.757 1.00 73.42 H new ATOM 0 HB3 TYR A 99 9.561 -2.501 3.586 1.00 73.42 H new ATOM 0 HD1 TYR A 99 10.492 -4.884 3.819 1.00 72.44 H new ATOM 0 HD2 TYR A 99 7.285 -3.902 1.192 1.00 10.12 H new ATOM 0 HE1 TYR A 99 10.914 -7.004 2.501 1.00 65.15 H new ATOM 0 HE2 TYR A 99 7.717 -6.025 -0.119 1.00 13.41 H new ATOM 0 HH TYR A 99 8.805 -7.908 -0.164 1.00 34.03 H new ATOM 1691 N GLU A 100 9.598 -4.249 6.002 1.00 24.12 N ATOM 1692 CA GLU A 100 10.263 -5.334 6.703 1.00 10.14 C ATOM 1693 C GLU A 100 9.580 -5.595 8.047 1.00 24.24 C ATOM 1694 O GLU A 100 9.947 -6.523 8.764 1.00 64.34 O ATOM 1695 CB GLU A 100 11.751 -5.033 6.894 1.00 52.12 C ATOM 1696 CG GLU A 100 12.012 -4.401 8.263 1.00 41.55 C ATOM 1697 CD GLU A 100 13.361 -3.680 8.286 1.00 3.21 C ATOM 1698 OE1 GLU A 100 13.806 -3.163 7.251 1.00 23.53 O ATOM 1699 OE2 GLU A 100 13.952 -3.668 9.433 1.00 74.24 O ATOM 0 H GLU A 100 10.093 -3.358 6.028 1.00 24.12 H new ATOM 0 HA GLU A 100 10.183 -6.236 6.096 1.00 10.14 H new ATOM 0 HB2 GLU A 100 12.327 -5.954 6.799 1.00 52.12 H new ATOM 0 HB3 GLU A 100 12.093 -4.360 6.108 1.00 52.12 H new ATOM 0 HG2 GLU A 100 11.215 -3.696 8.500 1.00 41.55 H new ATOM 0 HG3 GLU A 100 11.995 -5.172 9.033 1.00 41.55 H new ATOM 1707 N SER A 101 8.598 -4.758 8.347 1.00 23.43 N ATOM 1708 CA SER A 101 7.859 -4.886 9.592 1.00 33.22 C ATOM 1709 C SER A 101 6.382 -5.158 9.299 1.00 63.15 C ATOM 1710 O SER A 101 5.561 -5.199 10.214 1.00 0.10 O ATOM 1711 CB SER A 101 8.007 -3.630 10.452 1.00 23.11 C ATOM 1712 OG SER A 101 9.202 -3.652 11.228 1.00 11.13 O ATOM 0 H SER A 101 8.297 -3.988 7.749 1.00 23.43 H new ATOM 0 HA SER A 101 8.273 -5.726 10.150 1.00 33.22 H new ATOM 0 HB2 SER A 101 8.008 -2.749 9.810 1.00 23.11 H new ATOM 0 HB3 SER A 101 7.146 -3.541 11.115 1.00 23.11 H new ATOM 0 HG SER A 101 9.261 -2.832 11.762 1.00 11.13 H new ATOM 1718 N GLU A 102 6.089 -5.336 8.019 1.00 74.03 N ATOM 1719 CA GLU A 102 4.726 -5.602 7.594 1.00 73.55 C ATOM 1720 C GLU A 102 4.696 -6.769 6.603 1.00 44.54 C ATOM 1721 O GLU A 102 3.949 -7.727 6.790 1.00 34.43 O ATOM 1722 CB GLU A 102 4.086 -4.352 6.987 1.00 0.30 C ATOM 1723 CG GLU A 102 3.980 -3.232 8.024 1.00 75.10 C ATOM 1724 CD GLU A 102 2.723 -3.396 8.881 1.00 24.40 C ATOM 1725 OE1 GLU A 102 2.020 -4.410 8.764 1.00 30.04 O ATOM 1726 OE2 GLU A 102 2.485 -2.420 9.692 1.00 73.01 O ATOM 0 H GLU A 102 6.773 -5.301 7.263 1.00 74.03 H new ATOM 0 HA GLU A 102 4.142 -5.880 8.471 1.00 73.55 H new ATOM 0 HB2 GLU A 102 4.679 -4.011 6.138 1.00 0.30 H new ATOM 0 HB3 GLU A 102 3.094 -4.595 6.606 1.00 0.30 H new ATOM 0 HG2 GLU A 102 4.863 -3.238 8.663 1.00 75.10 H new ATOM 0 HG3 GLU A 102 3.958 -2.266 7.520 1.00 75.10 H new ATOM 1734 N ARG A 103 5.519 -6.647 5.572 1.00 73.01 N ATOM 1735 CA ARG A 103 5.598 -7.679 4.552 1.00 11.32 C ATOM 1736 C ARG A 103 5.396 -9.061 5.178 1.00 10.30 C ATOM 1737 O ARG A 103 5.802 -9.296 6.315 1.00 22.34 O ATOM 1738 CB ARG A 103 6.948 -7.643 3.834 1.00 73.24 C ATOM 1739 CG ARG A 103 8.084 -8.031 4.784 1.00 1.11 C ATOM 1740 CD ARG A 103 8.350 -9.537 4.732 1.00 64.23 C ATOM 1741 NE ARG A 103 8.819 -10.012 6.054 1.00 73.51 N ATOM 1742 CZ ARG A 103 9.270 -11.263 6.291 1.00 54.13 C ATOM 1743 NH1 ARG A 103 9.318 -12.174 5.296 1.00 40.42 N ATOM 1744 NH2 ARG A 103 9.664 -11.580 7.510 1.00 53.31 N ATOM 0 H ARG A 103 6.137 -5.850 5.421 1.00 73.01 H new ATOM 0 HA ARG A 103 4.809 -7.487 3.825 1.00 11.32 H new ATOM 0 HB2 ARG A 103 6.930 -8.325 2.984 1.00 73.24 H new ATOM 0 HB3 ARG A 103 7.126 -6.644 3.437 1.00 73.24 H new ATOM 0 HG2 ARG A 103 8.990 -7.488 4.514 1.00 1.11 H new ATOM 0 HG3 ARG A 103 7.828 -7.738 5.802 1.00 1.11 H new ATOM 0 HD2 ARG A 103 7.441 -10.066 4.447 1.00 64.23 H new ATOM 0 HD3 ARG A 103 9.098 -9.757 3.970 1.00 64.23 H new ATOM 0 HE ARG A 103 8.800 -9.354 6.833 1.00 73.51 H new ATOM 0 HH11 ARG A 103 9.012 -11.920 4.357 1.00 40.42 H new ATOM 0 HH12 ARG A 103 9.660 -13.116 5.484 1.00 40.42 H new ATOM 0 HH21 ARG A 103 9.625 -10.885 8.255 1.00 53.31 H new ATOM 0 HH22 ARG A 103 10.007 -12.520 7.707 1.00 53.31 H new ATOM 1757 N ASP A 104 4.772 -9.939 4.407 1.00 3.22 N ATOM 1758 CA ASP A 104 4.512 -11.291 4.872 1.00 24.23 C ATOM 1759 C ASP A 104 5.531 -12.245 4.245 1.00 52.11 C ATOM 1760 O ASP A 104 6.449 -11.811 3.552 1.00 14.33 O ATOM 1761 CB ASP A 104 3.114 -11.756 4.461 1.00 21.34 C ATOM 1762 CG ASP A 104 2.232 -12.247 5.611 1.00 33.24 C ATOM 1763 OD1 ASP A 104 1.971 -11.510 6.574 1.00 13.53 O ATOM 1764 OD2 ASP A 104 1.800 -13.455 5.489 1.00 12.42 O ATOM 0 H ASP A 104 4.439 -9.741 3.464 1.00 3.22 H new ATOM 0 HA ASP A 104 4.587 -11.294 5.959 1.00 24.23 H new ATOM 0 HB2 ASP A 104 2.606 -10.932 3.960 1.00 21.34 H new ATOM 0 HB3 ASP A 104 3.215 -12.560 3.731 1.00 21.34 H new ATOM 1770 N GLU A 105 5.335 -13.528 4.512 1.00 4.45 N ATOM 1771 CA GLU A 105 6.225 -14.548 3.984 1.00 23.41 C ATOM 1772 C GLU A 105 6.477 -14.310 2.492 1.00 43.50 C ATOM 1773 O GLU A 105 7.611 -14.409 2.028 1.00 71.12 O ATOM 1774 CB GLU A 105 5.661 -15.949 4.229 1.00 74.25 C ATOM 1775 CG GLU A 105 6.411 -16.652 5.360 1.00 61.33 C ATOM 1776 CD GLU A 105 6.038 -18.134 5.429 1.00 54.43 C ATOM 1777 OE1 GLU A 105 5.105 -18.570 4.738 1.00 41.24 O ATOM 1778 OE2 GLU A 105 6.756 -18.841 6.234 1.00 31.11 O ATOM 0 H GLU A 105 4.572 -13.885 5.088 1.00 4.45 H new ATOM 0 HA GLU A 105 7.178 -14.480 4.510 1.00 23.41 H new ATOM 0 HB2 GLU A 105 4.602 -15.880 4.478 1.00 74.25 H new ATOM 0 HB3 GLU A 105 5.736 -16.540 3.316 1.00 74.25 H new ATOM 0 HG2 GLU A 105 7.485 -16.551 5.206 1.00 61.33 H new ATOM 0 HG3 GLU A 105 6.178 -16.170 6.310 1.00 61.33 H new ATOM 1786 N ASP A 106 5.400 -14.002 1.785 1.00 14.21 N ATOM 1787 CA ASP A 106 5.490 -13.750 0.357 1.00 71.01 C ATOM 1788 C ASP A 106 6.533 -12.661 0.100 1.00 12.41 C ATOM 1789 O ASP A 106 7.386 -12.807 -0.775 1.00 41.35 O ATOM 1790 CB ASP A 106 4.152 -13.263 -0.202 1.00 4.22 C ATOM 1791 CG ASP A 106 3.521 -12.094 0.558 1.00 72.31 C ATOM 1792 OD1 ASP A 106 2.630 -11.403 0.041 1.00 41.53 O ATOM 1793 OD2 ASP A 106 3.986 -11.901 1.745 1.00 55.23 O ATOM 0 H ASP A 106 4.461 -13.921 2.174 1.00 14.21 H new ATOM 0 HA ASP A 106 5.768 -14.683 -0.133 1.00 71.01 H new ATOM 0 HB2 ASP A 106 4.296 -12.966 -1.241 1.00 4.22 H new ATOM 0 HB3 ASP A 106 3.450 -14.097 -0.203 1.00 4.22 H new ATOM 1799 N GLY A 107 6.433 -11.594 0.878 1.00 33.44 N ATOM 1800 CA GLY A 107 7.357 -10.480 0.747 1.00 23.13 C ATOM 1801 C GLY A 107 6.671 -9.270 0.109 1.00 31.21 C ATOM 1802 O GLY A 107 7.330 -8.293 -0.239 1.00 13.31 O ATOM 0 H GLY A 107 5.725 -11.477 1.603 1.00 33.44 H new ATOM 0 HA2 GLY A 107 7.744 -10.207 1.729 1.00 23.13 H new ATOM 0 HA3 GLY A 107 8.211 -10.781 0.140 1.00 23.13 H new ATOM 1806 N PHE A 108 5.358 -9.377 -0.023 1.00 52.33 N ATOM 1807 CA PHE A 108 4.575 -8.304 -0.612 1.00 14.14 C ATOM 1808 C PHE A 108 3.901 -7.459 0.470 1.00 21.33 C ATOM 1809 O PHE A 108 3.504 -7.979 1.513 1.00 22.32 O ATOM 1810 CB PHE A 108 3.496 -8.959 -1.476 1.00 51.42 C ATOM 1811 CG PHE A 108 3.563 -8.573 -2.955 1.00 70.41 C ATOM 1812 CD1 PHE A 108 4.031 -7.348 -3.317 1.00 14.11 C ATOM 1813 CD2 PHE A 108 3.153 -9.453 -3.907 1.00 32.51 C ATOM 1814 CE1 PHE A 108 4.093 -6.989 -4.689 1.00 54.21 C ATOM 1815 CE2 PHE A 108 3.215 -9.094 -5.280 1.00 73.31 C ATOM 1816 CZ PHE A 108 3.684 -7.869 -5.641 1.00 4.21 C ATOM 0 H PHE A 108 4.816 -10.191 0.268 1.00 52.33 H new ATOM 0 HA PHE A 108 5.222 -7.650 -1.196 1.00 14.14 H new ATOM 0 HB2 PHE A 108 3.584 -10.042 -1.390 1.00 51.42 H new ATOM 0 HB3 PHE A 108 2.516 -8.686 -1.084 1.00 51.42 H new ATOM 0 HD1 PHE A 108 4.355 -6.649 -2.561 1.00 14.11 H new ATOM 0 HD2 PHE A 108 2.780 -10.425 -3.619 1.00 32.51 H new ATOM 0 HE1 PHE A 108 4.465 -6.017 -4.976 1.00 54.21 H new ATOM 0 HE2 PHE A 108 2.890 -9.793 -6.037 1.00 73.31 H new ATOM 0 HZ PHE A 108 3.731 -7.595 -6.685 1.00 4.21 H new ATOM 1826 N LEU A 109 3.793 -6.169 0.187 1.00 21.41 N ATOM 1827 CA LEU A 109 3.173 -5.247 1.124 1.00 35.21 C ATOM 1828 C LEU A 109 1.700 -5.064 0.754 1.00 20.13 C ATOM 1829 O LEU A 109 1.368 -4.870 -0.414 1.00 53.12 O ATOM 1830 CB LEU A 109 3.960 -3.935 1.183 1.00 71.00 C ATOM 1831 CG LEU A 109 4.788 -3.707 2.449 1.00 51.53 C ATOM 1832 CD1 LEU A 109 3.924 -3.132 3.573 1.00 10.31 C ATOM 1833 CD2 LEU A 109 5.504 -4.990 2.875 1.00 53.35 C ATOM 0 H LEU A 109 4.124 -5.741 -0.677 1.00 21.41 H new ATOM 0 HA LEU A 109 3.200 -5.655 2.135 1.00 35.21 H new ATOM 0 HB2 LEU A 109 4.629 -3.896 0.323 1.00 71.00 H new ATOM 0 HB3 LEU A 109 3.258 -3.108 1.078 1.00 71.00 H new ATOM 0 HG LEU A 109 5.558 -2.969 2.225 1.00 51.53 H new ATOM 0 HD11 LEU A 109 4.537 -2.979 4.461 1.00 10.31 H new ATOM 0 HD12 LEU A 109 3.501 -2.179 3.256 1.00 10.31 H new ATOM 0 HD13 LEU A 109 3.117 -3.828 3.804 1.00 10.31 H new ATOM 0 HD21 LEU A 109 6.085 -4.800 3.777 1.00 53.35 H new ATOM 0 HD22 LEU A 109 4.768 -5.768 3.075 1.00 53.35 H new ATOM 0 HD23 LEU A 109 6.170 -5.317 2.077 1.00 53.35 H new ATOM 1845 N TYR A 110 0.855 -5.132 1.773 1.00 30.44 N ATOM 1846 CA TYR A 110 -0.576 -4.977 1.570 1.00 32.34 C ATOM 1847 C TYR A 110 -1.091 -3.705 2.247 1.00 41.52 C ATOM 1848 O TYR A 110 -1.099 -3.610 3.473 1.00 5.21 O ATOM 1849 CB TYR A 110 -1.229 -6.192 2.230 1.00 11.21 C ATOM 1850 CG TYR A 110 -0.829 -7.530 1.606 1.00 75.11 C ATOM 1851 CD1 TYR A 110 -1.485 -7.990 0.482 1.00 40.13 C ATOM 1852 CD2 TYR A 110 0.186 -8.278 2.167 1.00 65.35 C ATOM 1853 CE1 TYR A 110 -1.108 -9.250 -0.106 1.00 12.12 C ATOM 1854 CE2 TYR A 110 0.564 -9.537 1.579 1.00 23.30 C ATOM 1855 CZ TYR A 110 -0.103 -9.961 0.471 1.00 64.21 C ATOM 1856 OH TYR A 110 0.252 -11.151 -0.084 1.00 75.44 O ATOM 0 H TYR A 110 1.134 -5.292 2.741 1.00 30.44 H new ATOM 0 HA TYR A 110 -0.808 -4.904 0.507 1.00 32.34 H new ATOM 0 HB2 TYR A 110 -0.966 -6.203 3.288 1.00 11.21 H new ATOM 0 HB3 TYR A 110 -2.312 -6.085 2.172 1.00 11.21 H new ATOM 0 HD1 TYR A 110 -2.280 -7.406 0.044 1.00 40.13 H new ATOM 0 HD2 TYR A 110 0.697 -7.919 3.048 1.00 65.35 H new ATOM 0 HE1 TYR A 110 -1.613 -9.622 -0.986 1.00 12.12 H new ATOM 0 HE2 TYR A 110 1.358 -10.131 2.007 1.00 23.30 H new ATOM 0 HH TYR A 110 1.089 -11.463 0.319 1.00 75.44 H new ATOM 1866 N MET A 111 -1.507 -2.759 1.418 1.00 11.54 N ATOM 1867 CA MET A 111 -2.022 -1.498 1.921 1.00 54.55 C ATOM 1868 C MET A 111 -3.326 -1.117 1.215 1.00 15.42 C ATOM 1869 O MET A 111 -3.405 -1.153 -0.011 1.00 64.01 O ATOM 1870 CB MET A 111 -0.983 -0.397 1.700 1.00 60.14 C ATOM 1871 CG MET A 111 0.438 -0.948 1.844 1.00 4.13 C ATOM 1872 SD MET A 111 1.588 0.391 2.106 1.00 11.21 S ATOM 1873 CE MET A 111 3.014 -0.253 1.246 1.00 41.54 C ATOM 0 H MET A 111 -1.498 -2.841 0.401 1.00 11.54 H new ATOM 0 HA MET A 111 -2.226 -1.610 2.986 1.00 54.55 H new ATOM 0 HB2 MET A 111 -1.111 0.035 0.707 1.00 60.14 H new ATOM 0 HB3 MET A 111 -1.140 0.406 2.420 1.00 60.14 H new ATOM 0 HG2 MET A 111 0.483 -1.646 2.680 1.00 4.13 H new ATOM 0 HG3 MET A 111 0.713 -1.505 0.948 1.00 4.13 H new ATOM 0 HE1 MET A 111 3.917 -0.006 1.804 1.00 41.54 H new ATOM 0 HE2 MET A 111 2.927 -1.336 1.157 1.00 41.54 H new ATOM 0 HE3 MET A 111 3.069 0.189 0.251 1.00 41.54 H new ATOM 1883 N VAL A 112 -4.315 -0.762 2.021 1.00 22.04 N ATOM 1884 CA VAL A 112 -5.611 -0.375 1.489 1.00 51.41 C ATOM 1885 C VAL A 112 -5.748 1.147 1.547 1.00 34.21 C ATOM 1886 O VAL A 112 -5.523 1.755 2.593 1.00 73.33 O ATOM 1887 CB VAL A 112 -6.725 -1.105 2.243 1.00 73.25 C ATOM 1888 CG1 VAL A 112 -8.061 -0.374 2.091 1.00 50.42 C ATOM 1889 CG2 VAL A 112 -6.840 -2.558 1.781 1.00 14.04 C ATOM 0 H VAL A 112 -4.246 -0.734 3.038 1.00 22.04 H new ATOM 0 HA VAL A 112 -5.698 -0.669 0.443 1.00 51.41 H new ATOM 0 HB VAL A 112 -6.464 -1.110 3.301 1.00 73.25 H new ATOM 0 HG11 VAL A 112 -8.835 -0.914 2.636 1.00 50.42 H new ATOM 0 HG12 VAL A 112 -7.971 0.635 2.492 1.00 50.42 H new ATOM 0 HG13 VAL A 112 -8.329 -0.322 1.036 1.00 50.42 H new ATOM 0 HG21 VAL A 112 -7.639 -3.053 2.333 1.00 14.04 H new ATOM 0 HG22 VAL A 112 -7.065 -2.584 0.715 1.00 14.04 H new ATOM 0 HG23 VAL A 112 -5.898 -3.074 1.965 1.00 14.04 H new ATOM 1899 N TYR A 113 -6.117 1.720 0.411 1.00 40.11 N ATOM 1900 CA TYR A 113 -6.285 3.160 0.319 1.00 64.13 C ATOM 1901 C TYR A 113 -7.764 3.532 0.198 1.00 45.34 C ATOM 1902 O TYR A 113 -8.562 2.760 -0.333 1.00 34.33 O ATOM 1903 CB TYR A 113 -5.558 3.590 -0.957 1.00 30.31 C ATOM 1904 CG TYR A 113 -6.343 3.319 -2.242 1.00 22.44 C ATOM 1905 CD1 TYR A 113 -7.340 4.189 -2.637 1.00 33.02 C ATOM 1906 CD2 TYR A 113 -6.056 2.207 -3.005 1.00 73.00 C ATOM 1907 CE1 TYR A 113 -8.079 3.935 -3.847 1.00 63.43 C ATOM 1908 CE2 TYR A 113 -6.794 1.952 -4.215 1.00 24.44 C ATOM 1909 CZ TYR A 113 -7.770 2.829 -4.576 1.00 23.23 C ATOM 1910 OH TYR A 113 -8.468 2.589 -5.719 1.00 43.21 O ATOM 0 H TYR A 113 -6.304 1.213 -0.454 1.00 40.11 H new ATOM 0 HA TYR A 113 -5.891 3.650 1.210 1.00 64.13 H new ATOM 0 HB2 TYR A 113 -5.338 4.656 -0.896 1.00 30.31 H new ATOM 0 HB3 TYR A 113 -4.602 3.070 -1.011 1.00 30.31 H new ATOM 0 HD1 TYR A 113 -7.566 5.060 -2.039 1.00 33.02 H new ATOM 0 HD2 TYR A 113 -5.277 1.526 -2.695 1.00 73.00 H new ATOM 0 HE1 TYR A 113 -8.861 4.607 -4.168 1.00 63.43 H new ATOM 0 HE2 TYR A 113 -6.578 1.085 -4.822 1.00 24.44 H new ATOM 0 HH TYR A 113 -8.920 3.410 -6.005 1.00 43.21 H new ATOM 1920 N ALA A 114 -8.088 4.715 0.699 1.00 13.04 N ATOM 1921 CA ALA A 114 -9.457 5.199 0.654 1.00 1.44 C ATOM 1922 C ALA A 114 -9.490 6.666 1.088 1.00 2.12 C ATOM 1923 O ALA A 114 -8.458 7.237 1.438 1.00 24.00 O ATOM 1924 CB ALA A 114 -10.341 4.311 1.533 1.00 12.02 C ATOM 0 H ALA A 114 -7.425 5.353 1.139 1.00 13.04 H new ATOM 0 HA ALA A 114 -9.849 5.147 -0.362 1.00 1.44 H new ATOM 0 HB1 ALA A 114 -11.368 4.674 1.500 1.00 12.02 H new ATOM 0 HB2 ALA A 114 -10.306 3.285 1.166 1.00 12.02 H new ATOM 0 HB3 ALA A 114 -9.979 4.341 2.561 1.00 12.02 H new ATOM 1930 N SER A 115 -10.686 7.234 1.051 1.00 54.31 N ATOM 1931 CA SER A 115 -10.867 8.623 1.435 1.00 61.52 C ATOM 1932 C SER A 115 -11.190 8.716 2.928 1.00 53.55 C ATOM 1933 O SER A 115 -11.925 9.605 3.354 1.00 63.34 O ATOM 1934 CB SER A 115 -11.974 9.284 0.611 1.00 1.23 C ATOM 1935 OG SER A 115 -12.280 10.593 1.081 1.00 60.44 O ATOM 0 H SER A 115 -11.540 6.757 0.761 1.00 54.31 H new ATOM 0 HA SER A 115 -9.937 9.155 1.237 1.00 61.52 H new ATOM 0 HB2 SER A 115 -11.666 9.337 -0.433 1.00 1.23 H new ATOM 0 HB3 SER A 115 -12.871 8.666 0.648 1.00 1.23 H new ATOM 0 HG SER A 115 -12.443 10.564 2.047 1.00 60.44 H new ATOM 1941 N GLN A 116 -10.625 7.784 3.681 1.00 43.31 N ATOM 1942 CA GLN A 116 -10.844 7.748 5.118 1.00 53.23 C ATOM 1943 C GLN A 116 -9.620 7.168 5.827 1.00 50.42 C ATOM 1944 O GLN A 116 -9.095 6.132 5.420 1.00 70.45 O ATOM 1945 CB GLN A 116 -12.105 6.953 5.461 1.00 2.11 C ATOM 1946 CG GLN A 116 -13.295 7.884 5.696 1.00 21.34 C ATOM 1947 CD GLN A 116 -14.618 7.122 5.596 1.00 22.22 C ATOM 1948 OE1 GLN A 116 -14.934 6.504 4.593 1.00 62.34 O ATOM 1949 NE2 GLN A 116 -15.370 7.198 6.690 1.00 55.11 N ATOM 0 H GLN A 116 -10.016 7.048 3.324 1.00 43.31 H new ATOM 0 HA GLN A 116 -10.992 8.769 5.469 1.00 53.23 H new ATOM 0 HB2 GLN A 116 -12.335 6.262 4.650 1.00 2.11 H new ATOM 0 HB3 GLN A 116 -11.928 6.351 6.353 1.00 2.11 H new ATOM 0 HG2 GLN A 116 -13.211 8.346 6.680 1.00 21.34 H new ATOM 0 HG3 GLN A 116 -13.280 8.691 4.963 1.00 21.34 H new ATOM 0 HE21 GLN A 116 -15.046 7.733 7.496 1.00 55.11 H new ATOM 0 HE22 GLN A 116 -16.271 6.721 6.724 1.00 55.11 H new ATOM 1958 N GLU A 117 -9.199 7.861 6.876 1.00 13.30 N ATOM 1959 CA GLU A 117 -8.046 7.427 7.645 1.00 34.21 C ATOM 1960 C GLU A 117 -8.449 7.148 9.095 1.00 42.32 C ATOM 1961 O GLU A 117 -7.644 6.653 9.883 1.00 54.41 O ATOM 1962 CB GLU A 117 -6.921 8.463 7.579 1.00 4.33 C ATOM 1963 CG GLU A 117 -6.066 8.425 8.847 1.00 44.23 C ATOM 1964 CD GLU A 117 -4.846 9.338 8.712 1.00 34.21 C ATOM 1965 OE1 GLU A 117 -3.870 8.974 8.039 1.00 13.12 O ATOM 1966 OE2 GLU A 117 -4.934 10.463 9.337 1.00 14.44 O ATOM 0 H GLU A 117 -9.636 8.720 7.211 1.00 13.30 H new ATOM 0 HA GLU A 117 -7.670 6.502 7.208 1.00 34.21 H new ATOM 0 HB2 GLU A 117 -6.295 8.270 6.708 1.00 4.33 H new ATOM 0 HB3 GLU A 117 -7.346 9.459 7.452 1.00 4.33 H new ATOM 0 HG2 GLU A 117 -6.665 8.736 9.703 1.00 44.23 H new ATOM 0 HG3 GLU A 117 -5.740 7.403 9.040 1.00 44.23 H new ATOM 1974 N THR A 118 -9.695 7.478 9.402 1.00 32.30 N ATOM 1975 CA THR A 118 -10.215 7.268 10.743 1.00 34.24 C ATOM 1976 C THR A 118 -11.623 6.675 10.682 1.00 33.31 C ATOM 1977 O THR A 118 -12.368 6.732 11.659 1.00 43.32 O ATOM 1978 CB THR A 118 -10.150 8.603 11.488 1.00 61.45 C ATOM 1979 OG1 THR A 118 -10.935 9.485 10.691 1.00 2.53 O ATOM 1980 CG2 THR A 118 -8.751 9.222 11.461 1.00 11.22 C ATOM 0 H THR A 118 -10.359 7.889 8.746 1.00 32.30 H new ATOM 0 HA THR A 118 -9.614 6.542 11.292 1.00 34.24 H new ATOM 0 HB THR A 118 -10.462 8.456 12.522 1.00 61.45 H new ATOM 0 HG1 THR A 118 -10.948 10.374 11.103 1.00 2.53 H new ATOM 0 HG21 THR A 118 -8.761 10.167 12.004 1.00 11.22 H new ATOM 0 HG22 THR A 118 -8.042 8.541 11.932 1.00 11.22 H new ATOM 0 HG23 THR A 118 -8.452 9.400 10.428 1.00 11.22 H new ATOM 2085 N ASP B 337 8.519 -6.265 -14.475 1.00 34.41 N ATOM 2086 CA ASP B 337 8.819 -4.900 -14.076 1.00 41.12 C ATOM 2087 C ASP B 337 7.518 -4.179 -13.718 1.00 44.23 C ATOM 2088 O ASP B 337 6.717 -3.864 -14.598 1.00 22.34 O ATOM 2089 CB ASP B 337 9.490 -4.129 -15.214 1.00 74.41 C ATOM 2090 CG ASP B 337 8.993 -4.484 -16.617 1.00 74.24 C ATOM 2091 OD1 ASP B 337 7.881 -5.007 -16.786 1.00 11.21 O ATOM 2092 OD2 ASP B 337 9.810 -4.198 -17.573 1.00 24.22 O ATOM 0 HA ASP B 337 9.493 -4.939 -13.220 1.00 41.12 H new ATOM 0 HB2 ASP B 337 9.337 -3.062 -15.050 1.00 74.41 H new ATOM 0 HB3 ASP B 337 10.564 -4.307 -15.170 1.00 74.41 H new ATOM 2098 N TRP B 338 7.346 -3.940 -12.427 1.00 31.21 N ATOM 2099 CA TRP B 338 6.156 -3.261 -11.943 1.00 33.50 C ATOM 2100 C TRP B 338 6.279 -1.778 -12.298 1.00 43.13 C ATOM 2101 O TRP B 338 6.910 -1.425 -13.293 1.00 24.04 O ATOM 2102 CB TRP B 338 5.958 -3.503 -10.446 1.00 13.13 C ATOM 2103 CG TRP B 338 6.264 -4.934 -10.000 1.00 73.14 C ATOM 2104 CD1 TRP B 338 6.506 -6.004 -10.770 1.00 63.32 C ATOM 2105 CD2 TRP B 338 6.350 -5.412 -8.641 1.00 60.44 C ATOM 2106 NE1 TRP B 338 6.741 -7.132 -10.010 1.00 24.21 N ATOM 2107 CE2 TRP B 338 6.643 -6.760 -8.674 1.00 21.50 C ATOM 2108 CE3 TRP B 338 6.186 -4.728 -7.424 1.00 41.01 C ATOM 2109 CZ2 TRP B 338 6.798 -7.540 -7.522 1.00 13.12 C ATOM 2110 CZ3 TRP B 338 6.343 -5.522 -6.281 1.00 42.51 C ATOM 2111 CH2 TRP B 338 6.639 -6.879 -6.298 1.00 22.23 C ATOM 0 H TRP B 338 8.011 -4.204 -11.700 1.00 31.21 H new ATOM 0 HA TRP B 338 5.263 -3.660 -12.423 1.00 33.50 H new ATOM 0 HB2 TRP B 338 6.596 -2.816 -9.890 1.00 13.13 H new ATOM 0 HB3 TRP B 338 4.927 -3.264 -10.183 1.00 13.13 H new ATOM 0 HD1 TRP B 338 6.516 -5.986 -11.850 1.00 63.32 H new ATOM 0 HE1 TRP B 338 6.948 -8.066 -10.363 1.00 24.21 H new ATOM 0 HE3 TRP B 338 5.957 -3.674 -7.374 1.00 41.01 H new ATOM 0 HZ2 TRP B 338 7.028 -8.594 -7.574 1.00 13.12 H new ATOM 0 HZ3 TRP B 338 6.226 -5.046 -5.319 1.00 42.51 H new ATOM 0 HH2 TRP B 338 6.746 -7.422 -5.371 1.00 22.23 H new ATOM 2122 N THR B 339 5.668 -0.950 -11.465 1.00 11.15 N ATOM 2123 CA THR B 339 5.702 0.486 -11.678 1.00 63.24 C ATOM 2124 C THR B 339 6.856 1.115 -10.896 1.00 75.25 C ATOM 2125 O THR B 339 7.399 0.498 -9.980 1.00 55.55 O ATOM 2126 CB THR B 339 4.332 1.053 -11.299 1.00 43.14 C ATOM 2127 OG1 THR B 339 3.675 1.240 -12.549 1.00 20.42 O ATOM 2128 CG2 THR B 339 4.423 2.463 -10.711 1.00 73.05 C ATOM 0 H THR B 339 5.146 -1.246 -10.640 1.00 11.15 H new ATOM 0 HA THR B 339 5.892 0.725 -12.724 1.00 63.24 H new ATOM 0 HB THR B 339 3.852 0.390 -10.579 1.00 43.14 H new ATOM 0 HG1 THR B 339 3.618 0.382 -13.020 1.00 20.42 H new ATOM 0 HG21 THR B 339 3.423 2.818 -10.460 1.00 73.05 H new ATOM 0 HG22 THR B 339 5.038 2.443 -9.811 1.00 73.05 H new ATOM 0 HG23 THR B 339 4.873 3.134 -11.443 1.00 73.05 H new ATOM 2136 N HIS B 340 7.198 2.335 -11.286 1.00 23.10 N ATOM 2137 CA HIS B 340 8.279 3.053 -10.632 1.00 53.35 C ATOM 2138 C HIS B 340 7.711 4.248 -9.864 1.00 55.35 C ATOM 2139 O HIS B 340 6.942 5.036 -10.415 1.00 75.31 O ATOM 2140 CB HIS B 340 9.354 3.455 -11.644 1.00 52.13 C ATOM 2141 CG HIS B 340 8.920 3.326 -13.084 1.00 4.34 C ATOM 2142 ND1 HIS B 340 9.131 2.179 -13.830 1.00 2.03 N ATOM 2143 CD2 HIS B 340 8.284 4.209 -13.908 1.00 35.32 C ATOM 2144 CE1 HIS B 340 8.642 2.374 -15.046 1.00 52.42 C ATOM 2145 NE2 HIS B 340 8.118 3.633 -15.092 1.00 32.50 N ATOM 0 H HIS B 340 6.746 2.844 -12.046 1.00 23.10 H new ATOM 0 HA HIS B 340 8.769 2.401 -9.909 1.00 53.35 H new ATOM 0 HB2 HIS B 340 9.649 4.487 -11.455 1.00 52.13 H new ATOM 0 HB3 HIS B 340 10.238 2.837 -11.485 1.00 52.13 H new ATOM 0 HD2 HIS B 340 7.969 5.207 -13.642 1.00 35.32 H new ATOM 0 HE1 HIS B 340 8.656 1.662 -15.858 1.00 52.42 H new ATOM 0 HE2 HIS B 340 7.672 4.061 -15.903 1.00 32.50 H new ATOM 2153 N LEU B 341 8.109 4.346 -8.605 1.00 42.45 N ATOM 2154 CA LEU B 341 7.649 5.431 -7.756 1.00 42.21 C ATOM 2155 C LEU B 341 8.759 6.477 -7.625 1.00 60.12 C ATOM 2156 O LEU B 341 9.771 6.233 -6.972 1.00 1.40 O ATOM 2157 CB LEU B 341 7.154 4.889 -6.414 1.00 45.14 C ATOM 2158 CG LEU B 341 6.298 3.623 -6.477 1.00 73.23 C ATOM 2159 CD1 LEU B 341 5.610 3.358 -5.137 1.00 65.35 C ATOM 2160 CD2 LEU B 341 5.296 3.694 -7.631 1.00 55.44 C ATOM 0 H LEU B 341 8.746 3.691 -8.152 1.00 42.45 H new ATOM 0 HA LEU B 341 6.792 5.930 -8.208 1.00 42.21 H new ATOM 0 HB2 LEU B 341 8.021 4.687 -5.784 1.00 45.14 H new ATOM 0 HB3 LEU B 341 6.576 5.670 -5.920 1.00 45.14 H new ATOM 0 HG LEU B 341 6.956 2.777 -6.674 1.00 73.23 H new ATOM 0 HD11 LEU B 341 5.008 2.452 -5.210 1.00 65.35 H new ATOM 0 HD12 LEU B 341 6.364 3.231 -4.360 1.00 65.35 H new ATOM 0 HD13 LEU B 341 4.967 4.201 -4.885 1.00 65.35 H new ATOM 0 HD21 LEU B 341 4.701 2.781 -7.653 1.00 55.44 H new ATOM 0 HD22 LEU B 341 4.639 4.552 -7.490 1.00 55.44 H new ATOM 0 HD23 LEU B 341 5.833 3.799 -8.574 1.00 55.44 H new ATOM 2172 N SER B 342 8.530 7.619 -8.257 1.00 53.43 N ATOM 2173 CA SER B 342 9.498 8.702 -8.219 1.00 62.22 C ATOM 2174 C SER B 342 8.943 9.871 -7.403 1.00 15.10 C ATOM 2175 O SER B 342 7.803 10.286 -7.601 1.00 21.54 O ATOM 2176 CB SER B 342 9.860 9.166 -9.632 1.00 33.03 C ATOM 2177 OG SER B 342 9.678 8.132 -10.596 1.00 21.10 O ATOM 0 H SER B 342 7.688 7.818 -8.798 1.00 53.43 H new ATOM 0 HA SER B 342 10.406 8.333 -7.742 1.00 62.22 H new ATOM 0 HB2 SER B 342 9.245 10.025 -9.901 1.00 33.03 H new ATOM 0 HB3 SER B 342 10.898 9.500 -9.649 1.00 33.03 H new ATOM 0 HG SER B 342 9.918 8.468 -11.485 1.00 21.10 H new ATOM 2183 N SER B 343 9.777 10.368 -6.500 1.00 0.25 N ATOM 2184 CA SER B 343 9.384 11.480 -5.653 1.00 53.03 C ATOM 2185 C SER B 343 9.814 12.803 -6.292 1.00 5.52 C ATOM 2186 O SER B 343 9.842 13.838 -5.627 1.00 30.55 O ATOM 2187 CB SER B 343 9.988 11.346 -4.254 1.00 24.32 C ATOM 2188 OG SER B 343 10.109 12.608 -3.601 1.00 14.53 O ATOM 0 H SER B 343 10.722 10.021 -6.337 1.00 0.25 H new ATOM 0 HA SER B 343 8.299 11.468 -5.554 1.00 53.03 H new ATOM 0 HB2 SER B 343 9.365 10.685 -3.652 1.00 24.32 H new ATOM 0 HB3 SER B 343 10.971 10.880 -4.326 1.00 24.32 H new ATOM 0 HG SER B 343 9.549 13.269 -4.060 1.00 14.53 H new ATOM 2194 N LYS B 344 10.140 12.725 -7.574 1.00 41.31 N ATOM 2195 CA LYS B 344 10.568 13.902 -8.310 1.00 25.42 C ATOM 2196 C LYS B 344 9.404 14.417 -9.160 1.00 71.41 C ATOM 2197 O LYS B 344 9.340 15.604 -9.476 1.00 5.30 O ATOM 2198 CB LYS B 344 11.833 13.601 -9.116 1.00 31.02 C ATOM 2199 CG LYS B 344 11.775 12.196 -9.720 1.00 5.42 C ATOM 2200 CD LYS B 344 12.403 11.167 -8.779 1.00 64.43 C ATOM 2201 CE LYS B 344 13.210 10.129 -9.561 1.00 14.43 C ATOM 2202 NZ LYS B 344 13.200 8.827 -8.857 1.00 22.20 N ATOM 0 H LYS B 344 10.116 11.865 -8.122 1.00 41.31 H new ATOM 0 HA LYS B 344 10.841 14.703 -7.623 1.00 25.42 H new ATOM 0 HB2 LYS B 344 11.947 14.338 -9.911 1.00 31.02 H new ATOM 0 HB3 LYS B 344 12.708 13.689 -8.472 1.00 31.02 H new ATOM 0 HG2 LYS B 344 10.738 11.925 -9.921 1.00 5.42 H new ATOM 0 HG3 LYS B 344 12.298 12.186 -10.676 1.00 5.42 H new ATOM 0 HD2 LYS B 344 13.051 11.672 -8.063 1.00 64.43 H new ATOM 0 HD3 LYS B 344 11.621 10.669 -8.206 1.00 64.43 H new ATOM 0 HE2 LYS B 344 12.791 10.012 -10.561 1.00 14.43 H new ATOM 0 HE3 LYS B 344 14.236 10.475 -9.684 1.00 14.43 H new ATOM 0 HZ1 LYS B 344 14.161 8.431 -8.847 1.00 22.20 H new ATOM 0 HZ2 LYS B 344 12.871 8.963 -7.880 1.00 22.20 H new ATOM 0 HZ3 LYS B 344 12.560 8.171 -9.349 1.00 22.20 H new ATOM 2215 N GLU B 345 8.515 13.498 -9.508 1.00 53.15 N ATOM 2216 CA GLU B 345 7.360 13.844 -10.317 1.00 4.44 C ATOM 2217 C GLU B 345 6.145 14.103 -9.423 1.00 23.22 C ATOM 2218 O GLU B 345 5.068 14.435 -9.914 1.00 21.12 O ATOM 2219 CB GLU B 345 7.061 12.749 -11.343 1.00 53.02 C ATOM 2220 CG GLU B 345 8.354 12.180 -11.929 1.00 14.22 C ATOM 2221 CD GLU B 345 8.140 11.701 -13.367 1.00 0.42 C ATOM 2222 OE1 GLU B 345 7.620 10.596 -13.581 1.00 61.52 O ATOM 2223 OE2 GLU B 345 8.536 12.523 -14.279 1.00 24.43 O ATOM 0 H GLU B 345 8.572 12.514 -9.244 1.00 53.15 H new ATOM 0 HA GLU B 345 7.586 14.758 -10.866 1.00 4.44 H new ATOM 0 HB2 GLU B 345 6.489 11.950 -10.871 1.00 53.02 H new ATOM 0 HB3 GLU B 345 6.442 13.155 -12.143 1.00 53.02 H new ATOM 0 HG2 GLU B 345 9.133 12.942 -11.908 1.00 14.22 H new ATOM 0 HG3 GLU B 345 8.702 11.351 -11.314 1.00 14.22 H new ATOM 2231 N VAL B 346 6.360 13.940 -8.125 1.00 4.42 N ATOM 2232 CA VAL B 346 5.297 14.153 -7.158 1.00 33.24 C ATOM 2233 C VAL B 346 4.990 15.648 -7.064 1.00 64.22 C ATOM 2234 O VAL B 346 5.558 16.451 -7.802 1.00 4.44 O ATOM 2235 CB VAL B 346 5.683 13.535 -5.812 1.00 73.12 C ATOM 2236 CG1 VAL B 346 5.718 12.008 -5.899 1.00 34.11 C ATOM 2237 CG2 VAL B 346 7.021 14.088 -5.319 1.00 13.23 C ATOM 0 H VAL B 346 7.255 13.663 -7.721 1.00 4.42 H new ATOM 0 HA VAL B 346 4.383 13.654 -7.479 1.00 33.24 H new ATOM 0 HB VAL B 346 4.919 13.811 -5.085 1.00 73.12 H new ATOM 0 HG11 VAL B 346 5.995 11.595 -4.929 1.00 34.11 H new ATOM 0 HG12 VAL B 346 4.733 11.637 -6.184 1.00 34.11 H new ATOM 0 HG13 VAL B 346 6.451 11.703 -6.646 1.00 34.11 H new ATOM 0 HG21 VAL B 346 7.272 13.633 -4.361 1.00 13.23 H new ATOM 0 HG22 VAL B 346 7.800 13.857 -6.046 1.00 13.23 H new ATOM 0 HG23 VAL B 346 6.946 15.169 -5.199 1.00 13.23 H new ATOM 2247 N ASP B 347 4.091 15.979 -6.147 1.00 64.45 N ATOM 2248 CA ASP B 347 3.703 17.365 -5.946 1.00 13.23 C ATOM 2249 C ASP B 347 4.662 18.021 -4.951 1.00 41.10 C ATOM 2250 O ASP B 347 4.401 18.036 -3.750 1.00 60.02 O ATOM 2251 CB ASP B 347 2.288 17.462 -5.373 1.00 11.14 C ATOM 2252 CG ASP B 347 1.583 18.798 -5.613 1.00 55.41 C ATOM 2253 OD1 ASP B 347 2.063 19.645 -6.381 1.00 44.22 O ATOM 2254 OD2 ASP B 347 0.479 18.957 -4.964 1.00 54.24 O ATOM 0 H ASP B 347 3.621 15.311 -5.536 1.00 64.45 H new ATOM 0 HA ASP B 347 3.737 17.868 -6.912 1.00 13.23 H new ATOM 0 HB2 ASP B 347 1.682 16.666 -5.805 1.00 11.14 H new ATOM 0 HB3 ASP B 347 2.334 17.280 -4.299 1.00 11.14 H new