USER MOD reduce.3.24.130724 H: found=0, std=0, add=971, rem=0, adj=31 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 Set 1.1: A 59 ASN :FLIP amide:sc= 0.544 F(o=-0.71,f=1.1) USER MOD Set 1.2: A 61 SER OG : rot -89:sc= 0.605 USER MOD Set 2.1: A 27 HIS : no HD1:sc= -3.64 K(o=-4,f=-5.6!) USER MOD Set 2.2: A 30 LYS NZ :NH3+ 151:sc= -0.38 (180deg=-1.8!) USER MOD Single : A 15 GLN : amide:sc= -0.976 K(o=-0.98,f=-2.9) USER MOD Single : A 26 GLN : amide:sc= -0.418 X(o=-0.42,f=0) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0.00916 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ -116:sc= -1.5 (180deg=-3.42!) USER MOD Single : A 42 LYS NZ :NH3+ -175:sc= -1.98 (180deg=-2.07) USER MOD Single : A 43 GLN : amide:sc= -0.504 X(o=-0.5,f=-0.88) USER MOD Single : A 49 LYS NZ :NH3+ 178:sc= -1.7! (180deg=-1.83!) USER MOD Single : A 50 THR OG1 : rot -110:sc= 0.0335 USER MOD Single : A 51 LYS NZ :NH3+ -168:sc= -0.134 (180deg=-0.682) USER MOD Single : A 57 HIS : no HE2:sc= -4.12! C(o=-4.1!,f=-11!) USER MOD Single : A 60 MET CE :methyl 160:sc= -6.54! (180deg=-8.26!) USER MOD Single : A 65 LYS NZ :NH3+ 164:sc=-0.00693 (180deg=-0.297) USER MOD Single : A 72 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 74 ASN : amide:sc= -0.0166 X(o=-0.017,f=-0.059) USER MOD Single : A 76 ASN :FLIP amide:sc= -3.97! C(o=-4.5!,f=-4!) USER MOD Single : A 77 GLN : amide:sc= 0.545 K(o=0.55,f=-0.01) USER MOD Single : A 84 ASN : amide:sc= -1.68 K(o=-1.7,f=-3.3!) USER MOD Single : A 86 HIS : +bothHN:sc= -9.88! C(o=-9.9!,f=-15!) USER MOD Single : A 87 SER OG : rot 180:sc= 0.104 USER MOD Single : A 88 MET CE :methyl 149:sc= -0.223 (180deg=-0.304) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 73:sc= 0.0908 USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 99 TYR OH : rot -39:sc= 0.693 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 110 TYR OH : rot -125:sc= -1.29! USER MOD Single : A 111 MET CE :methyl -168:sc= -3.74 (180deg=-4.35!) USER MOD Single : A 113 TYR OH : rot 30:sc= 1.04 USER MOD Single : A 115 SER OG : rot -50:sc= 1.17 USER MOD Single : A 116 GLN : amide:sc= -0.5 X(o=-0.5,f=-0.043) USER MOD Single : A 118 THR OG1 : rot 56:sc= 0.409 USER MOD Single : B 339 THR OG1 : rot -150:sc= -0.424 USER MOD Single : B 340 HIS : no HD1:sc= -0.184 X(o=-0.18,f=-0.13) USER MOD Single : B 342 SER OG : rot 180:sc= 0.0302 USER MOD Single : B 343 SER OG : rot 97:sc= -0.215 USER MOD Single : B 344 LYS NZ :NH3+ 180:sc= -0.215 (180deg=-0.215) USER MOD ----------------------------------------------------------------- ATOM 221 N PHE A 13 -0.571 -17.676 -3.136 1.00 41.44 N ATOM 222 CA PHE A 13 0.588 -17.189 -2.408 1.00 63.33 C ATOM 223 C PHE A 13 1.864 -17.353 -3.234 1.00 44.41 C ATOM 224 O PHE A 13 2.497 -16.366 -3.608 1.00 20.03 O ATOM 225 CB PHE A 13 0.706 -18.034 -1.138 1.00 2.14 C ATOM 226 CG PHE A 13 1.316 -17.288 0.051 1.00 71.11 C ATOM 227 CD1 PHE A 13 0.945 -16.007 0.313 1.00 23.23 C ATOM 228 CD2 PHE A 13 2.230 -17.908 0.845 1.00 5.52 C ATOM 229 CE1 PHE A 13 1.512 -15.315 1.416 1.00 5.13 C ATOM 230 CE2 PHE A 13 2.797 -17.216 1.949 1.00 33.33 C ATOM 231 CZ PHE A 13 2.426 -15.935 2.210 1.00 61.43 C ATOM 0 HA PHE A 13 0.467 -16.129 -2.183 1.00 63.33 H new ATOM 0 HB2 PHE A 13 -0.285 -18.393 -0.859 1.00 2.14 H new ATOM 0 HB3 PHE A 13 1.314 -18.912 -1.353 1.00 2.14 H new ATOM 0 HD1 PHE A 13 0.219 -15.515 -0.318 1.00 23.23 H new ATOM 0 HD2 PHE A 13 2.525 -18.926 0.636 1.00 5.52 H new ATOM 0 HE1 PHE A 13 1.218 -14.297 1.624 1.00 5.13 H new ATOM 0 HE2 PHE A 13 3.522 -17.708 2.580 1.00 33.33 H new ATOM 0 HZ PHE A 13 2.857 -15.409 3.049 1.00 61.43 H new ATOM 241 N GLU A 14 2.204 -18.605 -3.498 1.00 55.44 N ATOM 242 CA GLU A 14 3.394 -18.911 -4.274 1.00 2.44 C ATOM 243 C GLU A 14 3.385 -18.128 -5.588 1.00 21.01 C ATOM 244 O GLU A 14 4.430 -17.946 -6.213 1.00 32.24 O ATOM 245 CB GLU A 14 3.509 -20.415 -4.532 1.00 3.33 C ATOM 246 CG GLU A 14 3.715 -21.181 -3.224 1.00 34.15 C ATOM 247 CD GLU A 14 4.070 -22.645 -3.496 1.00 72.44 C ATOM 248 OE1 GLU A 14 4.053 -23.081 -4.657 1.00 44.41 O ATOM 249 OE2 GLU A 14 4.371 -23.337 -2.450 1.00 21.22 O ATOM 0 H GLU A 14 1.676 -19.421 -3.188 1.00 55.44 H new ATOM 0 HA GLU A 14 4.268 -18.607 -3.698 1.00 2.44 H new ATOM 0 HB2 GLU A 14 2.607 -20.772 -5.029 1.00 3.33 H new ATOM 0 HB3 GLU A 14 4.343 -20.609 -5.207 1.00 3.33 H new ATOM 0 HG2 GLU A 14 4.510 -20.712 -2.645 1.00 34.15 H new ATOM 0 HG3 GLU A 14 2.808 -21.129 -2.621 1.00 34.15 H new ATOM 257 N GLN A 15 2.196 -17.687 -5.969 1.00 45.15 N ATOM 258 CA GLN A 15 2.038 -16.928 -7.199 1.00 41.13 C ATOM 259 C GLN A 15 2.325 -15.446 -6.948 1.00 53.54 C ATOM 260 O GLN A 15 2.790 -14.741 -7.842 1.00 72.22 O ATOM 261 CB GLN A 15 0.640 -17.124 -7.787 1.00 53.44 C ATOM 262 CG GLN A 15 0.685 -18.034 -9.016 1.00 54.20 C ATOM 263 CD GLN A 15 1.686 -17.513 -10.049 1.00 14.33 C ATOM 264 OE1 GLN A 15 2.170 -16.396 -9.973 1.00 75.04 O ATOM 265 NE2 GLN A 15 1.969 -18.382 -11.015 1.00 10.33 N ATOM 0 H GLN A 15 1.332 -17.840 -5.448 1.00 45.15 H new ATOM 0 HA GLN A 15 2.758 -17.299 -7.928 1.00 41.13 H new ATOM 0 HB2 GLN A 15 -0.018 -17.557 -7.033 1.00 53.44 H new ATOM 0 HB3 GLN A 15 0.218 -16.157 -8.061 1.00 53.44 H new ATOM 0 HG2 GLN A 15 0.961 -19.044 -8.715 1.00 54.20 H new ATOM 0 HG3 GLN A 15 -0.307 -18.095 -9.464 1.00 54.20 H new ATOM 0 HE21 GLN A 15 1.528 -19.302 -11.019 1.00 10.33 H new ATOM 0 HE22 GLN A 15 2.627 -18.129 -11.752 1.00 10.33 H new ATOM 274 N ARG A 16 2.037 -15.018 -5.728 1.00 3.03 N ATOM 275 CA ARG A 16 2.258 -13.634 -5.348 1.00 14.35 C ATOM 276 C ARG A 16 3.661 -13.461 -4.764 1.00 53.10 C ATOM 277 O ARG A 16 4.176 -12.345 -4.693 1.00 3.11 O ATOM 278 CB ARG A 16 1.225 -13.172 -4.319 1.00 24.11 C ATOM 279 CG ARG A 16 0.034 -12.497 -5.002 1.00 72.42 C ATOM 280 CD ARG A 16 0.291 -11.002 -5.202 1.00 11.40 C ATOM 281 NE ARG A 16 -0.608 -10.470 -6.249 1.00 51.11 N ATOM 282 CZ ARG A 16 -0.351 -10.534 -7.573 1.00 12.01 C ATOM 283 NH1 ARG A 16 0.786 -11.109 -8.023 1.00 15.11 N ATOM 284 NH2 ARG A 16 -1.224 -10.026 -8.421 1.00 73.11 N ATOM 0 H ARG A 16 1.652 -15.606 -4.989 1.00 3.03 H new ATOM 0 HA ARG A 16 2.156 -13.025 -6.246 1.00 14.35 H new ATOM 0 HB2 ARG A 16 0.879 -14.026 -3.737 1.00 24.11 H new ATOM 0 HB3 ARG A 16 1.689 -12.477 -3.619 1.00 24.11 H new ATOM 0 HG2 ARG A 16 -0.152 -12.970 -5.966 1.00 72.42 H new ATOM 0 HG3 ARG A 16 -0.863 -12.638 -4.399 1.00 72.42 H new ATOM 0 HD2 ARG A 16 0.128 -10.468 -4.266 1.00 11.40 H new ATOM 0 HD3 ARG A 16 1.331 -10.838 -5.486 1.00 11.40 H new ATOM 0 HE ARG A 16 -1.477 -10.027 -5.952 1.00 51.11 H new ATOM 0 HH11 ARG A 16 1.457 -11.498 -7.361 1.00 15.11 H new ATOM 0 HH12 ARG A 16 0.973 -11.154 -9.025 1.00 15.11 H new ATOM 0 HH21 ARG A 16 -2.079 -9.592 -8.074 1.00 73.11 H new ATOM 0 HH22 ARG A 16 -1.044 -10.067 -9.424 1.00 73.11 H new ATOM 297 N VAL A 17 4.242 -14.582 -4.362 1.00 23.21 N ATOM 298 CA VAL A 17 5.577 -14.569 -3.787 1.00 72.24 C ATOM 299 C VAL A 17 6.613 -14.547 -4.913 1.00 12.31 C ATOM 300 O VAL A 17 7.630 -13.861 -4.812 1.00 41.11 O ATOM 301 CB VAL A 17 5.749 -15.757 -2.838 1.00 61.12 C ATOM 302 CG1 VAL A 17 4.493 -15.968 -1.991 1.00 70.24 C ATOM 303 CG2 VAL A 17 6.110 -17.027 -3.612 1.00 4.10 C ATOM 0 H VAL A 17 3.813 -15.505 -4.423 1.00 23.21 H new ATOM 0 HA VAL A 17 5.728 -13.669 -3.190 1.00 72.24 H new ATOM 0 HB VAL A 17 6.573 -15.531 -2.162 1.00 61.12 H new ATOM 0 HG11 VAL A 17 4.642 -16.818 -1.325 1.00 70.24 H new ATOM 0 HG12 VAL A 17 4.299 -15.073 -1.399 1.00 70.24 H new ATOM 0 HG13 VAL A 17 3.642 -16.163 -2.644 1.00 70.24 H new ATOM 0 HG21 VAL A 17 6.227 -17.857 -2.915 1.00 4.10 H new ATOM 0 HG22 VAL A 17 5.316 -17.258 -4.322 1.00 4.10 H new ATOM 0 HG23 VAL A 17 7.045 -16.871 -4.151 1.00 4.10 H new ATOM 313 N GLU A 18 6.319 -15.305 -5.959 1.00 25.41 N ATOM 314 CA GLU A 18 7.213 -15.380 -7.102 1.00 5.04 C ATOM 315 C GLU A 18 7.313 -14.017 -7.788 1.00 14.13 C ATOM 316 O GLU A 18 8.302 -13.728 -8.460 1.00 42.13 O ATOM 317 CB GLU A 18 6.753 -16.458 -8.086 1.00 74.55 C ATOM 318 CG GLU A 18 7.830 -16.736 -9.137 1.00 43.23 C ATOM 319 CD GLU A 18 7.649 -18.126 -9.752 1.00 34.23 C ATOM 320 OE1 GLU A 18 7.155 -18.242 -10.884 1.00 42.32 O ATOM 321 OE2 GLU A 18 8.041 -19.105 -9.012 1.00 63.31 O ATOM 0 H GLU A 18 5.475 -15.872 -6.039 1.00 25.41 H new ATOM 0 HA GLU A 18 8.205 -15.658 -6.746 1.00 5.04 H new ATOM 0 HB2 GLU A 18 6.523 -17.376 -7.544 1.00 74.55 H new ATOM 0 HB3 GLU A 18 5.834 -16.139 -8.577 1.00 74.55 H new ATOM 0 HG2 GLU A 18 7.783 -15.979 -9.920 1.00 43.23 H new ATOM 0 HG3 GLU A 18 8.817 -16.662 -8.680 1.00 43.23 H new ATOM 329 N ASP A 19 6.276 -13.215 -7.596 1.00 32.14 N ATOM 330 CA ASP A 19 6.235 -11.889 -8.189 1.00 24.24 C ATOM 331 C ASP A 19 7.358 -11.036 -7.597 1.00 51.31 C ATOM 332 O ASP A 19 8.243 -10.581 -8.320 1.00 42.23 O ATOM 333 CB ASP A 19 4.905 -11.193 -7.891 1.00 51.12 C ATOM 334 CG ASP A 19 4.611 -9.964 -8.753 1.00 40.34 C ATOM 335 OD1 ASP A 19 5.511 -9.407 -9.398 1.00 21.13 O ATOM 336 OD2 ASP A 19 3.381 -9.575 -8.746 1.00 21.13 O ATOM 0 H ASP A 19 5.458 -13.458 -7.038 1.00 32.14 H new ATOM 0 HA ASP A 19 6.351 -11.998 -9.267 1.00 24.24 H new ATOM 0 HB2 ASP A 19 4.098 -11.913 -8.024 1.00 51.12 H new ATOM 0 HB3 ASP A 19 4.896 -10.894 -6.843 1.00 51.12 H new ATOM 342 N VAL A 20 7.286 -10.845 -6.289 1.00 71.23 N ATOM 343 CA VAL A 20 8.286 -10.055 -5.591 1.00 54.42 C ATOM 344 C VAL A 20 9.682 -10.554 -5.974 1.00 35.23 C ATOM 345 O VAL A 20 10.576 -9.756 -6.250 1.00 13.24 O ATOM 346 CB VAL A 20 8.028 -10.096 -4.084 1.00 4.51 C ATOM 347 CG1 VAL A 20 8.871 -11.183 -3.413 1.00 23.14 C ATOM 348 CG2 VAL A 20 8.289 -8.730 -3.446 1.00 35.51 C ATOM 0 H VAL A 20 6.550 -11.224 -5.693 1.00 71.23 H new ATOM 0 HA VAL A 20 8.222 -9.008 -5.889 1.00 54.42 H new ATOM 0 HB VAL A 20 6.978 -10.343 -3.931 1.00 4.51 H new ATOM 0 HG11 VAL A 20 8.669 -11.191 -2.342 1.00 23.14 H new ATOM 0 HG12 VAL A 20 8.617 -12.154 -3.838 1.00 23.14 H new ATOM 0 HG13 VAL A 20 9.928 -10.979 -3.581 1.00 23.14 H new ATOM 0 HG21 VAL A 20 8.098 -8.787 -2.374 1.00 35.51 H new ATOM 0 HG22 VAL A 20 9.326 -8.442 -3.615 1.00 35.51 H new ATOM 0 HG23 VAL A 20 7.628 -7.987 -3.893 1.00 35.51 H new ATOM 358 N ARG A 21 9.824 -11.870 -5.975 1.00 73.35 N ATOM 359 CA ARG A 21 11.095 -12.486 -6.318 1.00 12.33 C ATOM 360 C ARG A 21 11.707 -11.794 -7.538 1.00 3.32 C ATOM 361 O ARG A 21 12.927 -11.680 -7.644 1.00 20.04 O ATOM 362 CB ARG A 21 10.923 -13.975 -6.618 1.00 32.23 C ATOM 363 CG ARG A 21 12.280 -14.670 -6.747 1.00 24.21 C ATOM 364 CD ARG A 21 12.108 -16.174 -6.972 1.00 65.53 C ATOM 365 NE ARG A 21 13.388 -16.873 -6.719 1.00 31.50 N ATOM 366 CZ ARG A 21 13.483 -18.172 -6.364 1.00 64.23 C ATOM 367 NH1 ARG A 21 12.372 -18.925 -6.216 1.00 64.10 N ATOM 368 NH2 ARG A 21 14.678 -18.695 -6.162 1.00 2.31 N ATOM 0 H ARG A 21 9.080 -12.528 -5.744 1.00 73.35 H new ATOM 0 HA ARG A 21 11.759 -12.375 -5.461 1.00 12.33 H new ATOM 0 HB2 ARG A 21 10.344 -14.445 -5.823 1.00 32.23 H new ATOM 0 HB3 ARG A 21 10.357 -14.100 -7.541 1.00 32.23 H new ATOM 0 HG2 ARG A 21 12.837 -14.236 -7.577 1.00 24.21 H new ATOM 0 HG3 ARG A 21 12.867 -14.499 -5.845 1.00 24.21 H new ATOM 0 HD2 ARG A 21 11.335 -16.563 -6.310 1.00 65.53 H new ATOM 0 HD3 ARG A 21 11.777 -16.362 -7.993 1.00 65.53 H new ATOM 0 HE ARG A 21 14.252 -16.340 -6.819 1.00 31.50 H new ATOM 0 HH11 ARG A 21 11.452 -18.513 -6.373 1.00 64.10 H new ATOM 0 HH12 ARG A 21 12.453 -19.906 -5.948 1.00 64.10 H new ATOM 0 HH21 ARG A 21 15.512 -18.119 -6.275 1.00 2.31 H new ATOM 0 HH22 ARG A 21 14.767 -19.675 -5.893 1.00 2.31 H new ATOM 381 N LEU A 22 10.831 -11.351 -8.428 1.00 21.23 N ATOM 382 CA LEU A 22 11.271 -10.674 -9.636 1.00 44.20 C ATOM 383 C LEU A 22 11.959 -9.360 -9.258 1.00 44.01 C ATOM 384 O LEU A 22 13.156 -9.195 -9.489 1.00 64.33 O ATOM 385 CB LEU A 22 10.101 -10.497 -10.607 1.00 45.15 C ATOM 386 CG LEU A 22 9.465 -11.786 -11.133 1.00 0.33 C ATOM 387 CD1 LEU A 22 9.008 -11.621 -12.583 1.00 14.41 C ATOM 388 CD2 LEU A 22 10.414 -12.975 -10.962 1.00 33.03 C ATOM 0 H LEU A 22 9.820 -11.448 -8.337 1.00 21.23 H new ATOM 0 HA LEU A 22 12.007 -11.279 -10.165 1.00 44.20 H new ATOM 0 HB2 LEU A 22 9.328 -9.910 -10.110 1.00 45.15 H new ATOM 0 HB3 LEU A 22 10.447 -9.912 -11.459 1.00 45.15 H new ATOM 0 HG LEU A 22 8.576 -11.995 -10.538 1.00 0.33 H new ATOM 0 HD11 LEU A 22 8.560 -12.552 -12.931 1.00 14.41 H new ATOM 0 HD12 LEU A 22 8.272 -10.819 -12.644 1.00 14.41 H new ATOM 0 HD13 LEU A 22 9.866 -11.375 -13.209 1.00 14.41 H new ATOM 0 HD21 LEU A 22 9.938 -13.878 -11.344 1.00 33.03 H new ATOM 0 HD22 LEU A 22 11.334 -12.788 -11.515 1.00 33.03 H new ATOM 0 HD23 LEU A 22 10.646 -13.106 -9.905 1.00 33.03 H new ATOM 400 N ILE A 23 11.174 -8.462 -8.685 1.00 72.43 N ATOM 401 CA ILE A 23 11.692 -7.169 -8.273 1.00 73.03 C ATOM 402 C ILE A 23 12.870 -7.377 -7.317 1.00 50.41 C ATOM 403 O ILE A 23 13.710 -6.492 -7.159 1.00 52.54 O ATOM 404 CB ILE A 23 10.573 -6.303 -7.689 1.00 1.30 C ATOM 405 CG1 ILE A 23 10.124 -5.240 -8.693 1.00 62.53 C ATOM 406 CG2 ILE A 23 10.995 -5.689 -6.353 1.00 72.53 C ATOM 407 CD1 ILE A 23 9.609 -5.884 -9.981 1.00 24.34 C ATOM 0 H ILE A 23 10.182 -8.604 -8.496 1.00 72.43 H new ATOM 0 HA ILE A 23 12.072 -6.620 -9.135 1.00 73.03 H new ATOM 0 HB ILE A 23 9.713 -6.943 -7.491 1.00 1.30 H new ATOM 0 HG12 ILE A 23 9.340 -4.626 -8.251 1.00 62.53 H new ATOM 0 HG13 ILE A 23 10.958 -4.576 -8.922 1.00 62.53 H new ATOM 0 HG21 ILE A 23 10.182 -5.079 -5.960 1.00 72.53 H new ATOM 0 HG22 ILE A 23 11.227 -6.484 -5.644 1.00 72.53 H new ATOM 0 HG23 ILE A 23 11.877 -5.066 -6.501 1.00 72.53 H new ATOM 0 HD11 ILE A 23 9.296 -5.106 -10.677 1.00 24.34 H new ATOM 0 HD12 ILE A 23 10.403 -6.478 -10.433 1.00 24.34 H new ATOM 0 HD13 ILE A 23 8.760 -6.528 -9.752 1.00 24.34 H new ATOM 419 N ARG A 24 12.893 -8.552 -6.707 1.00 12.34 N ATOM 420 CA ARG A 24 13.954 -8.888 -5.771 1.00 45.23 C ATOM 421 C ARG A 24 15.260 -9.154 -6.523 1.00 1.14 C ATOM 422 O ARG A 24 16.345 -8.927 -5.989 1.00 74.04 O ATOM 423 CB ARG A 24 13.588 -10.123 -4.945 1.00 34.14 C ATOM 424 CG ARG A 24 12.634 -9.757 -3.806 1.00 13.13 C ATOM 425 CD ARG A 24 13.390 -9.611 -2.484 1.00 0.34 C ATOM 426 NE ARG A 24 14.785 -9.188 -2.742 1.00 52.12 N ATOM 427 CZ ARG A 24 15.793 -9.319 -1.853 1.00 54.35 C ATOM 428 NH1 ARG A 24 15.568 -9.864 -0.639 1.00 71.43 N ATOM 429 NH2 ARG A 24 17.001 -8.907 -2.190 1.00 1.01 N ATOM 0 H ARG A 24 12.195 -9.283 -6.842 1.00 12.34 H new ATOM 0 HA ARG A 24 14.084 -8.040 -5.098 1.00 45.23 H new ATOM 0 HB2 ARG A 24 13.123 -10.870 -5.588 1.00 34.14 H new ATOM 0 HB3 ARG A 24 14.493 -10.573 -4.536 1.00 34.14 H new ATOM 0 HG2 ARG A 24 12.122 -8.824 -4.041 1.00 13.13 H new ATOM 0 HG3 ARG A 24 11.867 -10.525 -3.708 1.00 13.13 H new ATOM 0 HD2 ARG A 24 12.891 -8.879 -1.849 1.00 0.34 H new ATOM 0 HD3 ARG A 24 13.382 -10.558 -1.945 1.00 0.34 H new ATOM 0 HE ARG A 24 14.998 -8.771 -3.648 1.00 52.12 H new ATOM 0 HH11 ARG A 24 14.631 -10.180 -0.388 1.00 71.43 H new ATOM 0 HH12 ARG A 24 16.335 -9.960 0.027 1.00 71.43 H new ATOM 0 HH21 ARG A 24 17.162 -8.497 -3.110 1.00 1.01 H new ATOM 0 HH22 ARG A 24 17.774 -8.999 -1.530 1.00 1.01 H new ATOM 442 N GLU A 25 15.111 -9.631 -7.751 1.00 75.54 N ATOM 443 CA GLU A 25 16.267 -9.931 -8.581 1.00 71.24 C ATOM 444 C GLU A 25 16.502 -8.802 -9.587 1.00 4.54 C ATOM 445 O GLU A 25 17.594 -8.680 -10.142 1.00 51.11 O ATOM 446 CB GLU A 25 16.095 -11.274 -9.293 1.00 21.24 C ATOM 447 CG GLU A 25 14.899 -11.241 -10.246 1.00 65.42 C ATOM 448 CD GLU A 25 15.105 -12.203 -11.418 1.00 43.43 C ATOM 449 OE1 GLU A 25 14.546 -13.310 -11.417 1.00 42.04 O ATOM 450 OE2 GLU A 25 15.876 -11.764 -12.354 1.00 50.21 O ATOM 0 H GLU A 25 14.210 -9.817 -8.191 1.00 75.54 H new ATOM 0 HA GLU A 25 17.144 -10.008 -7.938 1.00 71.24 H new ATOM 0 HB2 GLU A 25 17.001 -11.513 -9.849 1.00 21.24 H new ATOM 0 HB3 GLU A 25 15.955 -12.065 -8.556 1.00 21.24 H new ATOM 0 HG2 GLU A 25 13.991 -11.510 -9.706 1.00 65.42 H new ATOM 0 HG3 GLU A 25 14.758 -10.228 -10.623 1.00 65.42 H new ATOM 458 N GLN A 26 15.462 -8.008 -9.792 1.00 42.22 N ATOM 459 CA GLN A 26 15.544 -6.894 -10.722 1.00 1.04 C ATOM 460 C GLN A 26 15.816 -5.591 -9.968 1.00 74.23 C ATOM 461 O GLN A 26 16.776 -4.885 -10.268 1.00 72.32 O ATOM 462 CB GLN A 26 14.269 -6.786 -11.561 1.00 4.32 C ATOM 463 CG GLN A 26 14.111 -8.002 -12.477 1.00 11.50 C ATOM 464 CD GLN A 26 12.978 -7.787 -13.483 1.00 70.32 C ATOM 465 OE1 GLN A 26 13.175 -7.298 -14.583 1.00 21.42 O ATOM 466 NE2 GLN A 26 11.785 -8.178 -13.045 1.00 14.23 N ATOM 0 H GLN A 26 14.558 -8.113 -9.331 1.00 42.22 H new ATOM 0 HA GLN A 26 16.375 -7.076 -11.404 1.00 1.04 H new ATOM 0 HB2 GLN A 26 13.403 -6.706 -10.904 1.00 4.32 H new ATOM 0 HB3 GLN A 26 14.300 -5.876 -12.160 1.00 4.32 H new ATOM 0 HG2 GLN A 26 15.045 -8.185 -13.009 1.00 11.50 H new ATOM 0 HG3 GLN A 26 13.907 -8.889 -11.878 1.00 11.50 H new ATOM 0 HE21 GLN A 26 11.691 -8.580 -12.112 1.00 14.23 H new ATOM 0 HE22 GLN A 26 10.964 -8.076 -13.642 1.00 14.23 H new ATOM 475 N HIS A 27 14.952 -5.313 -9.003 1.00 51.23 N ATOM 476 CA HIS A 27 15.086 -4.107 -8.202 1.00 52.43 C ATOM 477 C HIS A 27 15.322 -4.486 -6.739 1.00 72.33 C ATOM 478 O HIS A 27 14.396 -4.458 -5.929 1.00 1.33 O ATOM 479 CB HIS A 27 13.873 -3.193 -8.389 1.00 21.24 C ATOM 480 CG HIS A 27 13.588 -2.839 -9.830 1.00 74.33 C ATOM 481 ND1 HIS A 27 13.581 -1.536 -10.295 1.00 31.43 N ATOM 482 CD2 HIS A 27 13.301 -3.632 -10.902 1.00 21.41 C ATOM 483 CE1 HIS A 27 13.301 -1.555 -11.589 1.00 74.54 C ATOM 484 NE2 HIS A 27 13.127 -2.855 -11.964 1.00 22.24 N ATOM 0 H HIS A 27 14.156 -5.902 -8.757 1.00 51.23 H new ATOM 0 HA HIS A 27 15.953 -3.538 -8.538 1.00 52.43 H new ATOM 0 HB2 HIS A 27 12.995 -3.680 -7.964 1.00 21.24 H new ATOM 0 HB3 HIS A 27 14.032 -2.274 -7.824 1.00 21.24 H new ATOM 0 HD2 HIS A 27 13.228 -4.709 -10.889 1.00 21.41 H new ATOM 0 HE1 HIS A 27 13.224 -0.693 -12.234 1.00 74.54 H new ATOM 0 HE2 HIS A 27 12.901 -3.177 -12.905 1.00 22.24 H new ATOM 492 N PRO A 28 16.599 -4.841 -6.436 1.00 55.03 N ATOM 493 CA PRO A 28 16.970 -5.225 -5.085 1.00 41.14 C ATOM 494 C PRO A 28 17.057 -4.000 -4.171 1.00 41.12 C ATOM 495 O PRO A 28 16.802 -4.097 -2.972 1.00 74.04 O ATOM 496 CB PRO A 28 18.296 -5.952 -5.232 1.00 22.43 C ATOM 497 CG PRO A 28 18.847 -5.545 -6.589 1.00 40.31 C ATOM 498 CD PRO A 28 17.722 -4.886 -7.370 1.00 2.23 C ATOM 0 HA PRO A 28 16.229 -5.869 -4.612 1.00 41.14 H new ATOM 0 HB2 PRO A 28 18.984 -5.676 -4.433 1.00 22.43 H new ATOM 0 HB3 PRO A 28 18.158 -7.032 -5.175 1.00 22.43 H new ATOM 0 HG2 PRO A 28 19.684 -4.857 -6.470 1.00 40.31 H new ATOM 0 HG3 PRO A 28 19.224 -6.416 -7.125 1.00 40.31 H new ATOM 0 HD2 PRO A 28 18.002 -3.886 -7.701 1.00 2.23 H new ATOM 0 HD3 PRO A 28 17.472 -5.459 -8.263 1.00 2.23 H new ATOM 506 N THR A 29 17.417 -2.877 -4.773 1.00 63.23 N ATOM 507 CA THR A 29 17.540 -1.635 -4.030 1.00 35.40 C ATOM 508 C THR A 29 16.207 -0.884 -4.020 1.00 2.51 C ATOM 509 O THR A 29 16.183 0.343 -3.937 1.00 3.01 O ATOM 510 CB THR A 29 18.688 -0.829 -4.642 1.00 72.21 C ATOM 511 OG1 THR A 29 18.252 -0.560 -5.972 1.00 20.14 O ATOM 512 CG2 THR A 29 19.956 -1.665 -4.828 1.00 4.31 C ATOM 0 H THR A 29 17.628 -2.801 -5.768 1.00 63.23 H new ATOM 0 HA THR A 29 17.778 -1.823 -2.983 1.00 35.40 H new ATOM 0 HB THR A 29 18.909 0.029 -4.007 1.00 72.21 H new ATOM 0 HG1 THR A 29 18.936 -0.039 -6.442 1.00 20.14 H new ATOM 0 HG21 THR A 29 20.739 -1.046 -5.265 1.00 4.31 H new ATOM 0 HG22 THR A 29 20.289 -2.042 -3.861 1.00 4.31 H new ATOM 0 HG23 THR A 29 19.745 -2.504 -5.491 1.00 4.31 H new ATOM 520 N LYS A 30 15.131 -1.652 -4.107 1.00 73.12 N ATOM 521 CA LYS A 30 13.798 -1.074 -4.110 1.00 13.34 C ATOM 522 C LYS A 30 12.888 -1.898 -3.195 1.00 74.25 C ATOM 523 O LYS A 30 13.106 -3.094 -3.012 1.00 52.32 O ATOM 524 CB LYS A 30 13.274 -0.943 -5.541 1.00 53.11 C ATOM 525 CG LYS A 30 14.137 0.026 -6.354 1.00 74.24 C ATOM 526 CD LYS A 30 13.540 1.434 -6.341 1.00 31.34 C ATOM 527 CE LYS A 30 13.907 2.196 -7.616 1.00 62.14 C ATOM 528 NZ LYS A 30 13.571 1.394 -8.814 1.00 64.44 N ATOM 0 H LYS A 30 15.155 -2.669 -4.176 1.00 73.12 H new ATOM 0 HA LYS A 30 13.821 -0.060 -3.710 1.00 13.34 H new ATOM 0 HB2 LYS A 30 13.269 -1.922 -6.021 1.00 53.11 H new ATOM 0 HB3 LYS A 30 12.243 -0.591 -5.524 1.00 53.11 H new ATOM 0 HG2 LYS A 30 15.147 0.051 -5.944 1.00 74.24 H new ATOM 0 HG3 LYS A 30 14.219 -0.329 -7.381 1.00 74.24 H new ATOM 0 HD2 LYS A 30 12.456 1.372 -6.249 1.00 31.34 H new ATOM 0 HD3 LYS A 30 13.903 1.979 -5.470 1.00 31.34 H new ATOM 0 HE2 LYS A 30 13.373 3.146 -7.645 1.00 62.14 H new ATOM 0 HE3 LYS A 30 14.972 2.429 -7.614 1.00 62.14 H new ATOM 0 HZ1 LYS A 30 13.351 2.030 -9.607 1.00 64.44 H new ATOM 0 HZ2 LYS A 30 14.381 0.792 -9.067 1.00 64.44 H new ATOM 0 HZ3 LYS A 30 12.745 0.796 -8.611 1.00 64.44 H new ATOM 541 N ILE A 31 11.889 -1.223 -2.646 1.00 11.23 N ATOM 542 CA ILE A 31 10.945 -1.878 -1.756 1.00 34.53 C ATOM 543 C ILE A 31 9.674 -2.226 -2.533 1.00 61.33 C ATOM 544 O ILE A 31 8.928 -1.337 -2.942 1.00 14.43 O ATOM 545 CB ILE A 31 10.692 -1.016 -0.517 1.00 2.23 C ATOM 546 CG1 ILE A 31 11.981 -0.810 0.280 1.00 63.34 C ATOM 547 CG2 ILE A 31 9.575 -1.609 0.344 1.00 3.42 C ATOM 548 CD1 ILE A 31 12.574 -2.149 0.723 1.00 43.44 C ATOM 0 H ILE A 31 11.713 -0.230 -2.800 1.00 11.23 H new ATOM 0 HA ILE A 31 11.358 -2.816 -1.385 1.00 34.53 H new ATOM 0 HB ILE A 31 10.357 -0.033 -0.847 1.00 2.23 H new ATOM 0 HG12 ILE A 31 12.707 -0.271 -0.329 1.00 63.34 H new ATOM 0 HG13 ILE A 31 11.777 -0.192 1.154 1.00 63.34 H new ATOM 0 HG21 ILE A 31 9.415 -0.978 1.218 1.00 3.42 H new ATOM 0 HG22 ILE A 31 8.655 -1.662 -0.239 1.00 3.42 H new ATOM 0 HG23 ILE A 31 9.858 -2.611 0.667 1.00 3.42 H new ATOM 0 HD11 ILE A 31 13.490 -1.972 1.287 1.00 43.44 H new ATOM 0 HD12 ILE A 31 11.856 -2.675 1.352 1.00 43.44 H new ATOM 0 HD13 ILE A 31 12.800 -2.755 -0.154 1.00 43.44 H new ATOM 560 N PRO A 32 9.461 -3.556 -2.719 1.00 41.13 N ATOM 561 CA PRO A 32 8.292 -4.033 -3.440 1.00 31.23 C ATOM 562 C PRO A 32 7.032 -3.916 -2.581 1.00 60.01 C ATOM 563 O PRO A 32 7.038 -4.290 -1.410 1.00 33.01 O ATOM 564 CB PRO A 32 8.622 -5.468 -3.818 1.00 4.31 C ATOM 565 CG PRO A 32 9.759 -5.890 -2.900 1.00 32.45 C ATOM 566 CD PRO A 32 10.322 -4.638 -2.250 1.00 10.22 C ATOM 0 HA PRO A 32 8.075 -3.440 -4.329 1.00 31.23 H new ATOM 0 HB2 PRO A 32 7.755 -6.115 -3.688 1.00 4.31 H new ATOM 0 HB3 PRO A 32 8.918 -5.538 -4.865 1.00 4.31 H new ATOM 0 HG2 PRO A 32 9.399 -6.585 -2.141 1.00 32.45 H new ATOM 0 HG3 PRO A 32 10.534 -6.408 -3.465 1.00 32.45 H new ATOM 0 HD2 PRO A 32 10.305 -4.715 -1.163 1.00 10.22 H new ATOM 0 HD3 PRO A 32 11.359 -4.473 -2.541 1.00 10.22 H new ATOM 574 N VAL A 33 5.981 -3.394 -3.197 1.00 12.13 N ATOM 575 CA VAL A 33 4.716 -3.224 -2.503 1.00 24.23 C ATOM 576 C VAL A 33 3.567 -3.547 -3.460 1.00 4.32 C ATOM 577 O VAL A 33 3.726 -3.466 -4.677 1.00 1.31 O ATOM 578 CB VAL A 33 4.627 -1.812 -1.919 1.00 41.31 C ATOM 579 CG1 VAL A 33 6.001 -1.322 -1.457 1.00 5.21 C ATOM 580 CG2 VAL A 33 4.007 -0.840 -2.924 1.00 4.04 C ATOM 0 H VAL A 33 5.980 -3.083 -4.169 1.00 12.13 H new ATOM 0 HA VAL A 33 4.644 -3.915 -1.663 1.00 24.23 H new ATOM 0 HB VAL A 33 3.975 -1.851 -1.047 1.00 41.31 H new ATOM 0 HG11 VAL A 33 5.910 -0.316 -1.046 1.00 5.21 H new ATOM 0 HG12 VAL A 33 6.388 -1.993 -0.690 1.00 5.21 H new ATOM 0 HG13 VAL A 33 6.686 -1.307 -2.305 1.00 5.21 H new ATOM 0 HG21 VAL A 33 3.956 0.156 -2.483 1.00 4.04 H new ATOM 0 HG22 VAL A 33 4.621 -0.807 -3.824 1.00 4.04 H new ATOM 0 HG23 VAL A 33 3.002 -1.175 -3.182 1.00 4.04 H new ATOM 590 N ILE A 34 2.435 -3.909 -2.874 1.00 53.34 N ATOM 591 CA ILE A 34 1.260 -4.245 -3.658 1.00 0.30 C ATOM 592 C ILE A 34 0.042 -3.522 -3.081 1.00 63.12 C ATOM 593 O ILE A 34 -0.540 -3.969 -2.094 1.00 30.23 O ATOM 594 CB ILE A 34 1.090 -5.764 -3.745 1.00 40.20 C ATOM 595 CG1 ILE A 34 2.016 -6.360 -4.806 1.00 35.11 C ATOM 596 CG2 ILE A 34 -0.374 -6.139 -3.985 1.00 40.24 C ATOM 597 CD1 ILE A 34 1.253 -6.649 -6.100 1.00 42.24 C ATOM 0 H ILE A 34 2.307 -3.977 -1.864 1.00 53.34 H new ATOM 0 HA ILE A 34 1.377 -3.901 -4.686 1.00 0.30 H new ATOM 0 HB ILE A 34 1.380 -6.195 -2.787 1.00 40.20 H new ATOM 0 HG12 ILE A 34 2.834 -5.669 -5.009 1.00 35.11 H new ATOM 0 HG13 ILE A 34 2.462 -7.281 -4.429 1.00 35.11 H new ATOM 0 HG21 ILE A 34 -0.467 -7.223 -4.043 1.00 40.24 H new ATOM 0 HG22 ILE A 34 -0.985 -5.766 -3.163 1.00 40.24 H new ATOM 0 HG23 ILE A 34 -0.715 -5.695 -4.921 1.00 40.24 H new ATOM 0 HD11 ILE A 34 1.935 -7.072 -6.838 1.00 42.24 H new ATOM 0 HD12 ILE A 34 0.451 -7.359 -5.898 1.00 42.24 H new ATOM 0 HD13 ILE A 34 0.829 -5.722 -6.487 1.00 42.24 H new ATOM 609 N ILE A 35 -0.309 -2.416 -3.722 1.00 13.32 N ATOM 610 CA ILE A 35 -1.447 -1.626 -3.285 1.00 43.02 C ATOM 611 C ILE A 35 -2.697 -2.077 -4.044 1.00 62.52 C ATOM 612 O ILE A 35 -2.688 -2.151 -5.272 1.00 31.22 O ATOM 613 CB ILE A 35 -1.148 -0.132 -3.425 1.00 14.43 C ATOM 614 CG1 ILE A 35 0.039 0.274 -2.548 1.00 62.53 C ATOM 615 CG2 ILE A 35 -2.393 0.706 -3.129 1.00 64.40 C ATOM 616 CD1 ILE A 35 0.846 1.396 -3.204 1.00 12.23 C ATOM 0 H ILE A 35 0.175 -2.049 -4.541 1.00 13.32 H new ATOM 0 HA ILE A 35 -1.640 -1.791 -2.225 1.00 43.02 H new ATOM 0 HB ILE A 35 -0.866 0.065 -4.459 1.00 14.43 H new ATOM 0 HG12 ILE A 35 -0.320 0.602 -1.572 1.00 62.53 H new ATOM 0 HG13 ILE A 35 0.682 -0.589 -2.377 1.00 62.53 H new ATOM 0 HG21 ILE A 35 -2.153 1.764 -3.236 1.00 64.40 H new ATOM 0 HG22 ILE A 35 -3.185 0.441 -3.830 1.00 64.40 H new ATOM 0 HG23 ILE A 35 -2.729 0.511 -2.111 1.00 64.40 H new ATOM 0 HD11 ILE A 35 1.683 1.666 -2.561 1.00 12.23 H new ATOM 0 HD12 ILE A 35 1.224 1.056 -4.168 1.00 12.23 H new ATOM 0 HD13 ILE A 35 0.206 2.266 -3.351 1.00 12.23 H new ATOM 628 N GLU A 36 -3.742 -2.366 -3.282 1.00 14.05 N ATOM 629 CA GLU A 36 -4.996 -2.807 -3.867 1.00 10.15 C ATOM 630 C GLU A 36 -6.148 -1.929 -3.376 1.00 32.02 C ATOM 631 O GLU A 36 -5.968 -1.105 -2.481 1.00 33.43 O ATOM 632 CB GLU A 36 -5.258 -4.281 -3.555 1.00 14.40 C ATOM 633 CG GLU A 36 -4.728 -5.182 -4.673 1.00 64.41 C ATOM 634 CD GLU A 36 -5.482 -4.932 -5.981 1.00 73.35 C ATOM 635 OE1 GLU A 36 -4.890 -5.034 -7.067 1.00 11.42 O ATOM 636 OE2 GLU A 36 -6.726 -4.624 -5.843 1.00 2.44 O ATOM 0 H GLU A 36 -3.745 -2.303 -2.264 1.00 14.05 H new ATOM 0 HA GLU A 36 -4.925 -2.706 -4.950 1.00 10.15 H new ATOM 0 HB2 GLU A 36 -4.781 -4.547 -2.612 1.00 14.40 H new ATOM 0 HB3 GLU A 36 -6.328 -4.445 -3.428 1.00 14.40 H new ATOM 0 HG2 GLU A 36 -3.664 -4.997 -4.821 1.00 64.41 H new ATOM 0 HG3 GLU A 36 -4.832 -6.228 -4.383 1.00 64.41 H new ATOM 644 N ARG A 37 -7.307 -2.135 -3.983 1.00 33.23 N ATOM 645 CA ARG A 37 -8.490 -1.373 -3.619 1.00 73.24 C ATOM 646 C ARG A 37 -9.129 -1.956 -2.357 1.00 64.52 C ATOM 647 O ARG A 37 -9.255 -3.172 -2.226 1.00 12.04 O ATOM 648 CB ARG A 37 -9.518 -1.376 -4.752 1.00 51.13 C ATOM 649 CG ARG A 37 -10.248 -2.719 -4.825 1.00 1.41 C ATOM 650 CD ARG A 37 -10.731 -3.003 -6.249 1.00 24.11 C ATOM 651 NE ARG A 37 -11.535 -4.246 -6.271 1.00 34.33 N ATOM 652 CZ ARG A 37 -12.329 -4.615 -7.300 1.00 70.24 C ATOM 653 NH1 ARG A 37 -12.432 -3.837 -8.399 1.00 72.20 N ATOM 654 NH2 ARG A 37 -13.003 -5.746 -7.214 1.00 44.03 N ATOM 0 H ARG A 37 -7.453 -2.819 -4.725 1.00 33.23 H new ATOM 0 HA ARG A 37 -8.178 -0.346 -3.431 1.00 73.24 H new ATOM 0 HB2 ARG A 37 -10.239 -0.574 -4.596 1.00 51.13 H new ATOM 0 HB3 ARG A 37 -9.020 -1.177 -5.701 1.00 51.13 H new ATOM 0 HG2 ARG A 37 -9.582 -3.517 -4.497 1.00 1.41 H new ATOM 0 HG3 ARG A 37 -11.098 -2.712 -4.143 1.00 1.41 H new ATOM 0 HD2 ARG A 37 -11.328 -2.167 -6.613 1.00 24.11 H new ATOM 0 HD3 ARG A 37 -9.877 -3.100 -6.919 1.00 24.11 H new ATOM 0 HE ARG A 37 -11.486 -4.862 -5.459 1.00 34.33 H new ATOM 0 HH11 ARG A 37 -11.908 -2.964 -8.457 1.00 72.20 H new ATOM 0 HH12 ARG A 37 -13.034 -4.123 -9.172 1.00 72.20 H new ATOM 0 HH21 ARG A 37 -12.920 -6.327 -6.380 1.00 44.03 H new ATOM 0 HH22 ARG A 37 -13.607 -6.039 -7.982 1.00 44.03 H new ATOM 667 N TYR A 38 -9.516 -1.059 -1.460 1.00 2.33 N ATOM 668 CA TYR A 38 -10.138 -1.470 -0.213 1.00 20.32 C ATOM 669 C TYR A 38 -11.491 -2.138 -0.470 1.00 54.11 C ATOM 670 O TYR A 38 -12.212 -1.754 -1.389 1.00 13.01 O ATOM 671 CB TYR A 38 -10.362 -0.186 0.589 1.00 12.43 C ATOM 672 CG TYR A 38 -11.121 -0.396 1.900 1.00 11.11 C ATOM 673 CD1 TYR A 38 -12.485 -0.610 1.881 1.00 12.43 C ATOM 674 CD2 TYR A 38 -10.444 -0.372 3.102 1.00 42.23 C ATOM 675 CE1 TYR A 38 -13.200 -0.808 3.116 1.00 53.35 C ATOM 676 CE2 TYR A 38 -11.158 -0.569 4.336 1.00 42.11 C ATOM 677 CZ TYR A 38 -12.501 -0.778 4.282 1.00 23.24 C ATOM 678 OH TYR A 38 -13.176 -0.964 5.447 1.00 23.44 O ATOM 0 H TYR A 38 -9.411 -0.051 -1.573 1.00 2.33 H new ATOM 0 HA TYR A 38 -9.508 -2.187 0.313 1.00 20.32 H new ATOM 0 HB2 TYR A 38 -9.395 0.266 0.809 1.00 12.43 H new ATOM 0 HB3 TYR A 38 -10.913 0.524 -0.028 1.00 12.43 H new ATOM 0 HD1 TYR A 38 -13.016 -0.629 0.941 1.00 12.43 H new ATOM 0 HD2 TYR A 38 -9.377 -0.205 3.117 1.00 42.23 H new ATOM 0 HE1 TYR A 38 -14.267 -0.976 3.116 1.00 53.35 H new ATOM 0 HE2 TYR A 38 -10.639 -0.551 5.283 1.00 42.11 H new ATOM 0 HH TYR A 38 -12.549 -0.918 6.199 1.00 23.44 H new ATOM 688 N LYS A 39 -11.793 -3.128 0.358 1.00 73.55 N ATOM 689 CA LYS A 39 -13.045 -3.853 0.232 1.00 43.43 C ATOM 690 C LYS A 39 -14.204 -2.933 0.624 1.00 21.11 C ATOM 691 O LYS A 39 -14.509 -2.783 1.806 1.00 3.42 O ATOM 692 CB LYS A 39 -12.994 -5.154 1.036 1.00 73.41 C ATOM 693 CG LYS A 39 -11.767 -5.986 0.656 1.00 61.13 C ATOM 694 CD LYS A 39 -11.670 -7.245 1.519 1.00 10.22 C ATOM 695 CE LYS A 39 -11.948 -6.926 2.989 1.00 52.01 C ATOM 696 NZ LYS A 39 -13.405 -6.937 3.255 1.00 32.44 N ATOM 0 H LYS A 39 -11.192 -3.445 1.119 1.00 73.55 H new ATOM 0 HA LYS A 39 -13.210 -4.151 -0.803 1.00 43.43 H new ATOM 0 HB2 LYS A 39 -12.968 -4.926 2.102 1.00 73.41 H new ATOM 0 HB3 LYS A 39 -13.900 -5.733 0.856 1.00 73.41 H new ATOM 0 HG2 LYS A 39 -11.824 -6.265 -0.396 1.00 61.13 H new ATOM 0 HG3 LYS A 39 -10.865 -5.387 0.778 1.00 61.13 H new ATOM 0 HD2 LYS A 39 -12.383 -7.989 1.164 1.00 10.22 H new ATOM 0 HD3 LYS A 39 -10.677 -7.682 1.420 1.00 10.22 H new ATOM 0 HE2 LYS A 39 -11.450 -7.657 3.626 1.00 52.01 H new ATOM 0 HE3 LYS A 39 -11.534 -5.950 3.240 1.00 52.01 H new ATOM 0 HZ1 LYS A 39 -13.714 -5.984 3.535 1.00 32.44 H new ATOM 0 HZ2 LYS A 39 -13.913 -7.227 2.395 1.00 32.44 H new ATOM 0 HZ3 LYS A 39 -13.613 -7.608 4.022 1.00 32.44 H new ATOM 709 N GLY A 40 -14.817 -2.343 -0.391 1.00 74.45 N ATOM 710 CA GLY A 40 -15.935 -1.442 -0.167 1.00 3.24 C ATOM 711 C GLY A 40 -15.566 -0.006 -0.545 1.00 12.21 C ATOM 712 O GLY A 40 -16.236 0.940 -0.131 1.00 40.33 O ATOM 0 H GLY A 40 -14.561 -2.471 -1.370 1.00 74.45 H new ATOM 0 HA2 GLY A 40 -16.793 -1.768 -0.755 1.00 3.24 H new ATOM 0 HA3 GLY A 40 -16.234 -1.481 0.881 1.00 3.24 H new ATOM 716 N GLU A 41 -14.502 0.112 -1.325 1.00 33.32 N ATOM 717 CA GLU A 41 -14.035 1.417 -1.762 1.00 32.55 C ATOM 718 C GLU A 41 -14.304 1.604 -3.256 1.00 20.11 C ATOM 719 O GLU A 41 -13.625 1.008 -4.091 1.00 31.05 O ATOM 720 CB GLU A 41 -12.550 1.603 -1.444 1.00 62.14 C ATOM 721 CG GLU A 41 -11.965 2.780 -2.228 1.00 52.41 C ATOM 722 CD GLU A 41 -11.416 2.317 -3.580 1.00 41.41 C ATOM 723 OE1 GLU A 41 -11.940 2.715 -4.630 1.00 62.12 O ATOM 724 OE2 GLU A 41 -10.406 1.516 -3.513 1.00 34.32 O ATOM 0 H GLU A 41 -13.950 -0.675 -1.666 1.00 33.32 H new ATOM 0 HA GLU A 41 -14.588 2.181 -1.215 1.00 32.55 H new ATOM 0 HB2 GLU A 41 -12.422 1.774 -0.375 1.00 62.14 H new ATOM 0 HB3 GLU A 41 -12.005 0.691 -1.689 1.00 62.14 H new ATOM 0 HG2 GLU A 41 -12.734 3.537 -2.383 1.00 52.41 H new ATOM 0 HG3 GLU A 41 -11.169 3.248 -1.649 1.00 52.41 H new ATOM 732 N LYS A 42 -15.294 2.433 -3.549 1.00 64.40 N ATOM 733 CA LYS A 42 -15.660 2.706 -4.929 1.00 2.11 C ATOM 734 C LYS A 42 -15.368 4.173 -5.249 1.00 14.01 C ATOM 735 O LYS A 42 -14.962 4.500 -6.363 1.00 33.23 O ATOM 736 CB LYS A 42 -17.111 2.297 -5.188 1.00 13.31 C ATOM 737 CG LYS A 42 -18.073 3.434 -4.835 1.00 45.50 C ATOM 738 CD LYS A 42 -18.255 4.386 -6.018 1.00 43.25 C ATOM 739 CE LYS A 42 -19.468 3.986 -6.862 1.00 4.32 C ATOM 740 NZ LYS A 42 -19.596 2.513 -6.919 1.00 23.20 N ATOM 0 H LYS A 42 -15.855 2.926 -2.854 1.00 64.40 H new ATOM 0 HA LYS A 42 -15.057 2.105 -5.610 1.00 2.11 H new ATOM 0 HB2 LYS A 42 -17.234 2.024 -6.236 1.00 13.31 H new ATOM 0 HB3 LYS A 42 -17.354 1.414 -4.598 1.00 13.31 H new ATOM 0 HG2 LYS A 42 -19.039 3.021 -4.544 1.00 45.50 H new ATOM 0 HG3 LYS A 42 -17.691 3.985 -3.976 1.00 45.50 H new ATOM 0 HD2 LYS A 42 -18.381 5.405 -5.653 1.00 43.25 H new ATOM 0 HD3 LYS A 42 -17.358 4.378 -6.637 1.00 43.25 H new ATOM 0 HE2 LYS A 42 -20.373 4.420 -6.437 1.00 4.32 H new ATOM 0 HE3 LYS A 42 -19.365 4.387 -7.870 1.00 4.32 H new ATOM 0 HZ1 LYS A 42 -20.371 2.257 -7.563 1.00 23.20 H new ATOM 0 HZ2 LYS A 42 -18.707 2.100 -7.266 1.00 23.20 H new ATOM 0 HZ3 LYS A 42 -19.800 2.145 -5.968 1.00 23.20 H new ATOM 753 N GLN A 43 -15.584 5.017 -4.251 1.00 63.45 N ATOM 754 CA GLN A 43 -15.348 6.442 -4.414 1.00 43.21 C ATOM 755 C GLN A 43 -14.089 6.681 -5.249 1.00 65.15 C ATOM 756 O GLN A 43 -14.178 7.067 -6.415 1.00 23.23 O ATOM 757 CB GLN A 43 -15.245 7.139 -3.055 1.00 65.43 C ATOM 758 CG GLN A 43 -16.614 7.233 -2.381 1.00 61.32 C ATOM 759 CD GLN A 43 -17.641 7.878 -3.314 1.00 0.41 C ATOM 760 OE1 GLN A 43 -17.354 8.810 -4.046 1.00 34.35 O ATOM 761 NE2 GLN A 43 -18.852 7.330 -3.247 1.00 61.50 N ATOM 0 H GLN A 43 -15.919 4.742 -3.328 1.00 63.45 H new ATOM 0 HA GLN A 43 -16.198 6.872 -4.944 1.00 43.21 H new ATOM 0 HB2 GLN A 43 -14.556 6.590 -2.412 1.00 65.43 H new ATOM 0 HB3 GLN A 43 -14.831 8.139 -3.186 1.00 65.43 H new ATOM 0 HG2 GLN A 43 -16.952 6.237 -2.095 1.00 61.32 H new ATOM 0 HG3 GLN A 43 -16.533 7.817 -1.464 1.00 61.32 H new ATOM 0 HE21 GLN A 43 -19.025 6.551 -2.612 1.00 61.50 H new ATOM 0 HE22 GLN A 43 -19.607 7.689 -3.831 1.00 61.50 H new ATOM 770 N LEU A 44 -12.948 6.440 -4.624 1.00 70.13 N ATOM 771 CA LEU A 44 -11.672 6.624 -5.295 1.00 74.32 C ATOM 772 C LEU A 44 -11.609 5.708 -6.519 1.00 11.20 C ATOM 773 O LEU A 44 -12.205 4.631 -6.525 1.00 43.35 O ATOM 774 CB LEU A 44 -10.515 6.421 -4.315 1.00 23.41 C ATOM 775 CG LEU A 44 -10.472 7.377 -3.122 1.00 52.12 C ATOM 776 CD1 LEU A 44 -10.107 6.633 -1.836 1.00 50.33 C ATOM 777 CD2 LEU A 44 -9.526 8.549 -3.393 1.00 10.25 C ATOM 0 H LEU A 44 -12.879 6.118 -3.659 1.00 70.13 H new ATOM 0 HA LEU A 44 -11.576 7.648 -5.656 1.00 74.32 H new ATOM 0 HB2 LEU A 44 -10.561 5.400 -3.936 1.00 23.41 H new ATOM 0 HB3 LEU A 44 -9.578 6.515 -4.865 1.00 23.41 H new ATOM 0 HG LEU A 44 -11.470 7.793 -2.982 1.00 52.12 H new ATOM 0 HD11 LEU A 44 -10.083 7.336 -1.003 1.00 50.33 H new ATOM 0 HD12 LEU A 44 -10.851 5.861 -1.638 1.00 50.33 H new ATOM 0 HD13 LEU A 44 -9.126 6.171 -1.949 1.00 50.33 H new ATOM 0 HD21 LEU A 44 -9.514 9.214 -2.529 1.00 10.25 H new ATOM 0 HD22 LEU A 44 -8.520 8.170 -3.574 1.00 10.25 H new ATOM 0 HD23 LEU A 44 -9.870 9.099 -4.269 1.00 10.25 H new ATOM 789 N PRO A 45 -10.864 6.181 -7.553 1.00 31.11 N ATOM 790 CA PRO A 45 -10.715 5.417 -8.780 1.00 72.02 C ATOM 791 C PRO A 45 -9.756 4.241 -8.581 1.00 4.31 C ATOM 792 O PRO A 45 -9.050 4.174 -7.576 1.00 31.03 O ATOM 793 CB PRO A 45 -10.220 6.419 -9.810 1.00 14.10 C ATOM 794 CG PRO A 45 -9.667 7.593 -9.018 1.00 24.31 C ATOM 795 CD PRO A 45 -10.144 7.452 -7.582 1.00 12.34 C ATOM 0 HA PRO A 45 -11.649 4.959 -9.106 1.00 72.02 H new ATOM 0 HB2 PRO A 45 -9.451 5.979 -10.444 1.00 14.10 H new ATOM 0 HB3 PRO A 45 -11.030 6.737 -10.466 1.00 14.10 H new ATOM 0 HG2 PRO A 45 -8.578 7.602 -9.059 1.00 24.31 H new ATOM 0 HG3 PRO A 45 -10.010 8.536 -9.443 1.00 24.31 H new ATOM 0 HD2 PRO A 45 -9.306 7.448 -6.885 1.00 12.34 H new ATOM 0 HD3 PRO A 45 -10.792 8.281 -7.297 1.00 12.34 H new ATOM 803 N VAL A 46 -9.761 3.343 -9.555 1.00 55.41 N ATOM 804 CA VAL A 46 -8.901 2.173 -9.499 1.00 62.40 C ATOM 805 C VAL A 46 -7.480 2.571 -9.904 1.00 24.11 C ATOM 806 O VAL A 46 -7.289 3.313 -10.867 1.00 23.43 O ATOM 807 CB VAL A 46 -9.480 1.056 -10.371 1.00 71.25 C ATOM 808 CG1 VAL A 46 -8.418 0.002 -10.687 1.00 21.34 C ATOM 809 CG2 VAL A 46 -10.702 0.421 -9.707 1.00 2.32 C ATOM 0 H VAL A 46 -10.347 3.402 -10.388 1.00 55.41 H new ATOM 0 HA VAL A 46 -8.853 1.782 -8.483 1.00 62.40 H new ATOM 0 HB VAL A 46 -9.803 1.499 -11.313 1.00 71.25 H new ATOM 0 HG11 VAL A 46 -8.855 -0.780 -11.308 1.00 21.34 H new ATOM 0 HG12 VAL A 46 -7.590 0.468 -11.221 1.00 21.34 H new ATOM 0 HG13 VAL A 46 -8.051 -0.435 -9.758 1.00 21.34 H new ATOM 0 HG21 VAL A 46 -11.094 -0.369 -10.347 1.00 2.32 H new ATOM 0 HG22 VAL A 46 -10.415 -0.001 -8.744 1.00 2.32 H new ATOM 0 HG23 VAL A 46 -11.470 1.180 -9.556 1.00 2.32 H new ATOM 819 N LEU A 47 -6.519 2.061 -9.148 1.00 70.21 N ATOM 820 CA LEU A 47 -5.121 2.355 -9.415 1.00 52.54 C ATOM 821 C LEU A 47 -4.752 1.831 -10.804 1.00 0.41 C ATOM 822 O LEU A 47 -5.350 0.873 -11.290 1.00 44.05 O ATOM 823 CB LEU A 47 -4.235 1.804 -8.295 1.00 21.34 C ATOM 824 CG LEU A 47 -3.211 2.778 -7.711 1.00 14.51 C ATOM 825 CD1 LEU A 47 -2.450 3.505 -8.821 1.00 51.34 C ATOM 826 CD2 LEU A 47 -3.875 3.754 -6.738 1.00 2.31 C ATOM 0 H LEU A 47 -6.681 1.446 -8.351 1.00 70.21 H new ATOM 0 HA LEU A 47 -4.952 3.432 -9.424 1.00 52.54 H new ATOM 0 HB2 LEU A 47 -4.879 1.457 -7.487 1.00 21.34 H new ATOM 0 HB3 LEU A 47 -3.702 0.932 -8.675 1.00 21.34 H new ATOM 0 HG LEU A 47 -2.480 2.203 -7.142 1.00 14.51 H new ATOM 0 HD11 LEU A 47 -1.728 4.191 -8.378 1.00 51.34 H new ATOM 0 HD12 LEU A 47 -1.926 2.777 -9.440 1.00 51.34 H new ATOM 0 HD13 LEU A 47 -3.153 4.066 -9.437 1.00 51.34 H new ATOM 0 HD21 LEU A 47 -3.124 4.435 -6.337 1.00 2.31 H new ATOM 0 HD22 LEU A 47 -4.641 4.326 -7.262 1.00 2.31 H new ATOM 0 HD23 LEU A 47 -4.333 3.197 -5.920 1.00 2.31 H new ATOM 838 N ASP A 48 -3.768 2.485 -11.405 1.00 34.23 N ATOM 839 CA ASP A 48 -3.312 2.099 -12.729 1.00 65.12 C ATOM 840 C ASP A 48 -2.640 0.727 -12.652 1.00 61.25 C ATOM 841 O ASP A 48 -2.784 -0.090 -13.561 1.00 1.55 O ATOM 842 CB ASP A 48 -2.287 3.097 -13.272 1.00 32.20 C ATOM 843 CG ASP A 48 -2.489 3.501 -14.735 1.00 54.14 C ATOM 844 OD1 ASP A 48 -1.562 3.995 -15.393 1.00 11.32 O ATOM 845 OD2 ASP A 48 -3.672 3.286 -15.200 1.00 33.14 O ATOM 0 H ASP A 48 -3.274 3.280 -10.999 1.00 34.23 H new ATOM 0 HA ASP A 48 -4.178 2.076 -13.390 1.00 65.12 H new ATOM 0 HB2 ASP A 48 -2.315 3.995 -12.655 1.00 32.20 H new ATOM 0 HB3 ASP A 48 -1.291 2.667 -13.164 1.00 32.20 H new ATOM 851 N LYS A 49 -1.923 0.515 -11.559 1.00 34.30 N ATOM 852 CA LYS A 49 -1.228 -0.744 -11.352 1.00 13.11 C ATOM 853 C LYS A 49 -1.611 -1.313 -9.985 1.00 55.44 C ATOM 854 O LYS A 49 -2.527 -0.813 -9.334 1.00 64.03 O ATOM 855 CB LYS A 49 0.279 -0.563 -11.543 1.00 53.23 C ATOM 856 CG LYS A 49 0.824 0.522 -10.611 1.00 52.12 C ATOM 857 CD LYS A 49 0.812 1.889 -11.297 1.00 15.23 C ATOM 858 CE LYS A 49 1.688 1.881 -12.551 1.00 51.44 C ATOM 859 NZ LYS A 49 0.909 2.324 -13.729 1.00 4.25 N ATOM 0 H LYS A 49 -1.808 1.194 -10.807 1.00 34.30 H new ATOM 0 HA LYS A 49 -1.534 -1.476 -12.100 1.00 13.11 H new ATOM 0 HB2 LYS A 49 0.790 -1.506 -11.347 1.00 53.23 H new ATOM 0 HB3 LYS A 49 0.488 -0.296 -12.579 1.00 53.23 H new ATOM 0 HG2 LYS A 49 0.223 0.562 -9.702 1.00 52.12 H new ATOM 0 HG3 LYS A 49 1.841 0.271 -10.310 1.00 52.12 H new ATOM 0 HD2 LYS A 49 -0.210 2.156 -11.565 1.00 15.23 H new ATOM 0 HD3 LYS A 49 1.170 2.651 -10.604 1.00 15.23 H new ATOM 0 HE2 LYS A 49 2.546 2.538 -12.407 1.00 51.44 H new ATOM 0 HE3 LYS A 49 2.079 0.878 -12.722 1.00 51.44 H new ATOM 0 HZ1 LYS A 49 1.527 2.345 -14.566 1.00 4.25 H new ATOM 0 HZ2 LYS A 49 0.124 1.662 -13.895 1.00 4.25 H new ATOM 0 HZ3 LYS A 49 0.528 3.276 -13.555 1.00 4.25 H new ATOM 872 N THR A 50 -0.889 -2.352 -9.588 1.00 62.40 N ATOM 873 CA THR A 50 -1.142 -2.994 -8.309 1.00 12.42 C ATOM 874 C THR A 50 0.122 -2.979 -7.447 1.00 13.32 C ATOM 875 O THR A 50 0.048 -2.783 -6.235 1.00 13.53 O ATOM 876 CB THR A 50 -1.675 -4.401 -8.584 1.00 64.23 C ATOM 877 OG1 THR A 50 -2.824 -4.186 -9.397 1.00 33.22 O ATOM 878 CG2 THR A 50 -2.228 -5.074 -7.327 1.00 4.14 C ATOM 0 H THR A 50 -0.129 -2.765 -10.130 1.00 62.40 H new ATOM 0 HA THR A 50 -1.895 -2.453 -7.736 1.00 12.42 H new ATOM 0 HB THR A 50 -0.877 -5.015 -9.003 1.00 64.23 H new ATOM 0 HG1 THR A 50 -3.631 -4.405 -8.887 1.00 33.22 H new ATOM 0 HG21 THR A 50 -2.593 -6.070 -7.578 1.00 4.14 H new ATOM 0 HG22 THR A 50 -1.438 -5.155 -6.580 1.00 4.14 H new ATOM 0 HG23 THR A 50 -3.047 -4.478 -6.926 1.00 4.14 H new ATOM 886 N LYS A 51 1.252 -3.191 -8.105 1.00 63.11 N ATOM 887 CA LYS A 51 2.530 -3.206 -7.414 1.00 2.24 C ATOM 888 C LYS A 51 3.294 -1.921 -7.740 1.00 2.53 C ATOM 889 O LYS A 51 3.135 -1.356 -8.820 1.00 22.21 O ATOM 890 CB LYS A 51 3.303 -4.483 -7.745 1.00 62.34 C ATOM 891 CG LYS A 51 2.823 -5.090 -9.065 1.00 12.21 C ATOM 892 CD LYS A 51 3.596 -6.368 -9.394 1.00 14.34 C ATOM 893 CE LYS A 51 3.293 -6.839 -10.818 1.00 70.11 C ATOM 894 NZ LYS A 51 1.929 -6.431 -11.221 1.00 74.50 N ATOM 0 H LYS A 51 1.309 -3.354 -9.110 1.00 63.11 H new ATOM 0 HA LYS A 51 2.381 -3.224 -6.334 1.00 2.24 H new ATOM 0 HB2 LYS A 51 4.368 -4.261 -7.809 1.00 62.34 H new ATOM 0 HB3 LYS A 51 3.176 -5.207 -6.941 1.00 62.34 H new ATOM 0 HG2 LYS A 51 1.758 -5.311 -9.001 1.00 12.21 H new ATOM 0 HG3 LYS A 51 2.951 -4.366 -9.870 1.00 12.21 H new ATOM 0 HD2 LYS A 51 4.666 -6.189 -9.286 1.00 14.34 H new ATOM 0 HD3 LYS A 51 3.331 -7.151 -8.684 1.00 14.34 H new ATOM 0 HE2 LYS A 51 4.024 -6.419 -11.509 1.00 70.11 H new ATOM 0 HE3 LYS A 51 3.386 -7.923 -10.876 1.00 70.11 H new ATOM 0 HZ1 LYS A 51 1.664 -6.925 -12.097 1.00 74.50 H new ATOM 0 HZ2 LYS A 51 1.256 -6.677 -10.467 1.00 74.50 H new ATOM 0 HZ3 LYS A 51 1.907 -5.404 -11.382 1.00 74.50 H new ATOM 907 N PHE A 52 4.111 -1.498 -6.785 1.00 55.52 N ATOM 908 CA PHE A 52 4.901 -0.291 -6.957 1.00 12.53 C ATOM 909 C PHE A 52 6.309 -0.473 -6.387 1.00 23.41 C ATOM 910 O PHE A 52 6.494 -1.161 -5.386 1.00 20.35 O ATOM 911 CB PHE A 52 4.190 0.823 -6.184 1.00 64.54 C ATOM 912 CG PHE A 52 2.798 1.162 -6.721 1.00 42.21 C ATOM 913 CD1 PHE A 52 1.790 0.255 -6.617 1.00 55.41 C ATOM 914 CD2 PHE A 52 2.570 2.370 -7.302 1.00 50.44 C ATOM 915 CE1 PHE A 52 0.498 0.571 -7.115 1.00 50.35 C ATOM 916 CE2 PHE A 52 1.277 2.685 -7.799 1.00 5.33 C ATOM 917 CZ PHE A 52 0.269 1.778 -7.695 1.00 13.42 C ATOM 0 H PHE A 52 4.242 -1.970 -5.890 1.00 55.52 H new ATOM 0 HA PHE A 52 4.994 -0.055 -8.017 1.00 12.53 H new ATOM 0 HB2 PHE A 52 4.103 0.527 -5.139 1.00 64.54 H new ATOM 0 HB3 PHE A 52 4.807 1.721 -6.211 1.00 64.54 H new ATOM 0 HD1 PHE A 52 1.972 -0.705 -6.156 1.00 55.41 H new ATOM 0 HD2 PHE A 52 3.371 3.089 -7.386 1.00 50.44 H new ATOM 0 HE1 PHE A 52 -0.303 -0.149 -7.033 1.00 50.35 H new ATOM 0 HE2 PHE A 52 1.094 3.645 -8.259 1.00 5.33 H new ATOM 0 HZ PHE A 52 -0.714 2.017 -8.074 1.00 13.42 H new ATOM 927 N LEU A 53 7.266 0.158 -7.051 1.00 0.05 N ATOM 928 CA LEU A 53 8.652 0.075 -6.623 1.00 15.10 C ATOM 929 C LEU A 53 9.038 1.369 -5.904 1.00 53.33 C ATOM 930 O LEU A 53 9.256 2.397 -6.541 1.00 23.21 O ATOM 931 CB LEU A 53 9.560 -0.262 -7.808 1.00 22.22 C ATOM 932 CG LEU A 53 9.572 -1.728 -8.248 1.00 23.31 C ATOM 933 CD1 LEU A 53 10.483 -1.929 -9.461 1.00 34.22 C ATOM 934 CD2 LEU A 53 9.956 -2.646 -7.084 1.00 70.04 C ATOM 0 H LEU A 53 7.109 0.729 -7.882 1.00 0.05 H new ATOM 0 HA LEU A 53 8.781 -0.739 -5.909 1.00 15.10 H new ATOM 0 HB2 LEU A 53 9.257 0.349 -8.658 1.00 22.22 H new ATOM 0 HB3 LEU A 53 10.579 0.029 -7.554 1.00 22.22 H new ATOM 0 HG LEU A 53 8.562 -2.001 -8.555 1.00 23.31 H new ATOM 0 HD11 LEU A 53 10.473 -2.979 -9.753 1.00 34.22 H new ATOM 0 HD12 LEU A 53 10.125 -1.318 -10.290 1.00 34.22 H new ATOM 0 HD13 LEU A 53 11.500 -1.633 -9.205 1.00 34.22 H new ATOM 0 HD21 LEU A 53 9.957 -3.682 -7.423 1.00 70.04 H new ATOM 0 HD22 LEU A 53 10.950 -2.381 -6.724 1.00 70.04 H new ATOM 0 HD23 LEU A 53 9.234 -2.530 -6.275 1.00 70.04 H new ATOM 946 N VAL A 54 9.111 1.275 -4.583 1.00 12.25 N ATOM 947 CA VAL A 54 9.466 2.424 -3.769 1.00 54.11 C ATOM 948 C VAL A 54 10.983 2.455 -3.572 1.00 53.14 C ATOM 949 O VAL A 54 11.615 1.411 -3.419 1.00 2.34 O ATOM 950 CB VAL A 54 8.693 2.390 -2.449 1.00 50.23 C ATOM 951 CG1 VAL A 54 8.602 3.786 -1.832 1.00 52.41 C ATOM 952 CG2 VAL A 54 7.302 1.784 -2.644 1.00 33.12 C ATOM 0 H VAL A 54 8.930 0.420 -4.057 1.00 12.25 H new ATOM 0 HA VAL A 54 9.184 3.349 -4.272 1.00 54.11 H new ATOM 0 HB VAL A 54 9.241 1.753 -1.755 1.00 50.23 H new ATOM 0 HG11 VAL A 54 8.048 3.734 -0.895 1.00 52.41 H new ATOM 0 HG12 VAL A 54 9.606 4.165 -1.640 1.00 52.41 H new ATOM 0 HG13 VAL A 54 8.087 4.456 -2.521 1.00 52.41 H new ATOM 0 HG21 VAL A 54 6.774 1.772 -1.691 1.00 33.12 H new ATOM 0 HG22 VAL A 54 6.742 2.383 -3.362 1.00 33.12 H new ATOM 0 HG23 VAL A 54 7.398 0.765 -3.019 1.00 33.12 H new ATOM 962 N PRO A 55 11.538 3.697 -3.585 1.00 45.33 N ATOM 963 CA PRO A 55 12.970 3.878 -3.411 1.00 0.21 C ATOM 964 C PRO A 55 13.375 3.673 -1.949 1.00 50.22 C ATOM 965 O PRO A 55 12.807 4.295 -1.052 1.00 54.10 O ATOM 966 CB PRO A 55 13.253 5.284 -3.914 1.00 72.21 C ATOM 967 CG PRO A 55 11.914 6.002 -3.917 1.00 64.33 C ATOM 968 CD PRO A 55 10.822 4.957 -3.765 1.00 22.13 C ATOM 0 HA PRO A 55 13.557 3.146 -3.965 1.00 0.21 H new ATOM 0 HB2 PRO A 55 13.968 5.793 -3.268 1.00 72.21 H new ATOM 0 HB3 PRO A 55 13.686 5.261 -4.914 1.00 72.21 H new ATOM 0 HG2 PRO A 55 11.867 6.724 -3.102 1.00 64.33 H new ATOM 0 HG3 PRO A 55 11.782 6.559 -4.845 1.00 64.33 H new ATOM 0 HD2 PRO A 55 10.182 5.174 -2.910 1.00 22.13 H new ATOM 0 HD3 PRO A 55 10.179 4.925 -4.645 1.00 22.13 H new ATOM 976 N ASP A 56 14.352 2.800 -1.755 1.00 15.23 N ATOM 977 CA ASP A 56 14.839 2.507 -0.418 1.00 24.22 C ATOM 978 C ASP A 56 15.718 3.662 0.065 1.00 33.22 C ATOM 979 O ASP A 56 16.894 3.464 0.372 1.00 24.04 O ATOM 980 CB ASP A 56 15.684 1.231 -0.408 1.00 14.44 C ATOM 981 CG ASP A 56 17.039 1.348 -1.108 1.00 63.42 C ATOM 982 OD1 ASP A 56 18.067 0.884 -0.593 1.00 73.21 O ATOM 983 OD2 ASP A 56 17.014 1.954 -2.247 1.00 53.21 O ATOM 0 H ASP A 56 14.820 2.286 -2.502 1.00 15.23 H new ATOM 0 HA ASP A 56 13.976 2.373 0.234 1.00 24.22 H new ATOM 0 HB2 ASP A 56 15.851 0.932 0.627 1.00 14.44 H new ATOM 0 HB3 ASP A 56 15.114 0.432 -0.883 1.00 14.44 H new ATOM 989 N HIS A 57 15.116 4.840 0.116 1.00 42.54 N ATOM 990 CA HIS A 57 15.831 6.027 0.557 1.00 33.12 C ATOM 991 C HIS A 57 14.831 7.143 0.865 1.00 34.15 C ATOM 992 O HIS A 57 15.147 8.323 0.719 1.00 74.42 O ATOM 993 CB HIS A 57 16.884 6.441 -0.474 1.00 42.14 C ATOM 994 CG HIS A 57 16.304 6.904 -1.789 1.00 61.13 C ATOM 995 ND1 HIS A 57 15.494 8.020 -1.901 1.00 2.30 N ATOM 996 CD2 HIS A 57 16.429 6.391 -3.047 1.00 44.01 C ATOM 997 CE1 HIS A 57 15.151 8.162 -3.172 1.00 52.24 C ATOM 998 NE2 HIS A 57 15.730 7.152 -3.881 1.00 2.34 N ATOM 0 H HIS A 57 14.142 4.999 -0.140 1.00 42.54 H new ATOM 0 HA HIS A 57 16.374 5.809 1.477 1.00 33.12 H new ATOM 0 HB2 HIS A 57 17.493 7.242 -0.055 1.00 42.14 H new ATOM 0 HB3 HIS A 57 17.549 5.597 -0.658 1.00 42.14 H new ATOM 0 HD1 HIS A 57 15.209 8.630 -1.135 1.00 2.30 H new ATOM 0 HD2 HIS A 57 16.999 5.515 -3.318 1.00 44.01 H new ATOM 0 HE1 HIS A 57 14.522 8.942 -3.576 1.00 52.24 H new ATOM 1006 N VAL A 58 13.645 6.731 1.287 1.00 51.30 N ATOM 1007 CA VAL A 58 12.596 7.681 1.618 1.00 21.42 C ATOM 1008 C VAL A 58 11.742 7.116 2.755 1.00 52.34 C ATOM 1009 O VAL A 58 12.163 6.197 3.455 1.00 3.12 O ATOM 1010 CB VAL A 58 11.781 8.016 0.367 1.00 42.54 C ATOM 1011 CG1 VAL A 58 12.685 8.527 -0.756 1.00 63.40 C ATOM 1012 CG2 VAL A 58 10.963 6.808 -0.094 1.00 52.14 C ATOM 0 H VAL A 58 13.387 5.752 1.408 1.00 51.30 H new ATOM 0 HA VAL A 58 13.026 8.618 1.970 1.00 21.42 H new ATOM 0 HB VAL A 58 11.084 8.814 0.625 1.00 42.54 H new ATOM 0 HG11 VAL A 58 12.081 8.758 -1.633 1.00 63.40 H new ATOM 0 HG12 VAL A 58 13.203 9.427 -0.425 1.00 63.40 H new ATOM 0 HG13 VAL A 58 13.417 7.761 -1.011 1.00 63.40 H new ATOM 0 HG21 VAL A 58 10.393 7.073 -0.985 1.00 52.14 H new ATOM 0 HG22 VAL A 58 11.634 5.981 -0.325 1.00 52.14 H new ATOM 0 HG23 VAL A 58 10.278 6.508 0.699 1.00 52.14 H new ATOM 1022 N ASN A 59 10.558 7.691 2.903 1.00 3.10 N ATOM 1023 CA ASN A 59 9.640 7.256 3.944 1.00 53.34 C ATOM 1024 C ASN A 59 8.401 6.634 3.298 1.00 32.55 C ATOM 1025 O ASN A 59 8.158 6.819 2.106 1.00 53.32 O ATOM 1026 CB ASN A 59 9.183 8.437 4.803 1.00 31.55 C ATOM 1027 CG ASN A 59 9.446 9.766 4.093 1.00 54.00 C ATOM 1028 OD1 ASN A 59 8.453 10.163 3.303 1.00 22.23 O flip ATOM 1029 ND2 ASN A 59 10.483 10.390 4.251 1.00 14.31 N flip ATOM 0 H ASN A 59 10.212 8.454 2.321 1.00 3.10 H new ATOM 0 HA ASN A 59 10.160 6.533 4.572 1.00 53.34 H new ATOM 0 HB2 ASN A 59 8.119 8.342 5.022 1.00 31.55 H new ATOM 0 HB3 ASN A 59 9.708 8.421 5.758 1.00 31.55 H new ATOM 0 HD21 ASN A 59 11.206 10.028 4.873 1.00 14.31 H new ATOM 0 HD22 ASN A 59 10.626 11.273 3.761 1.00 14.31 H new ATOM 1036 N MET A 60 7.649 5.909 4.112 1.00 53.42 N ATOM 1037 CA MET A 60 6.440 5.259 3.635 1.00 63.50 C ATOM 1038 C MET A 60 5.464 6.279 3.047 1.00 72.03 C ATOM 1039 O MET A 60 4.683 5.954 2.154 1.00 33.53 O ATOM 1040 CB MET A 60 5.769 4.517 4.793 1.00 54.13 C ATOM 1041 CG MET A 60 5.141 5.500 5.784 1.00 71.53 C ATOM 1042 SD MET A 60 3.498 5.944 5.245 1.00 50.24 S ATOM 1043 CE MET A 60 2.815 4.320 4.963 1.00 24.12 C ATOM 0 H MET A 60 7.853 5.757 5.100 1.00 53.42 H new ATOM 0 HA MET A 60 6.714 4.554 2.850 1.00 63.50 H new ATOM 0 HB2 MET A 60 5.002 3.847 4.404 1.00 54.13 H new ATOM 0 HB3 MET A 60 6.504 3.897 5.307 1.00 54.13 H new ATOM 0 HG2 MET A 60 5.098 5.051 6.776 1.00 71.53 H new ATOM 0 HG3 MET A 60 5.760 6.393 5.865 1.00 71.53 H new ATOM 0 HE1 MET A 60 1.727 4.377 4.969 1.00 24.12 H new ATOM 0 HE2 MET A 60 3.153 3.946 3.997 1.00 24.12 H new ATOM 0 HE3 MET A 60 3.147 3.644 5.751 1.00 24.12 H new ATOM 1053 N SER A 61 5.540 7.493 3.572 1.00 31.15 N ATOM 1054 CA SER A 61 4.672 8.564 3.109 1.00 60.52 C ATOM 1055 C SER A 61 4.813 8.736 1.596 1.00 5.42 C ATOM 1056 O SER A 61 3.815 8.826 0.883 1.00 42.35 O ATOM 1057 CB SER A 61 4.991 9.879 3.824 1.00 24.14 C ATOM 1058 OG SER A 61 5.647 10.808 2.965 1.00 33.42 O ATOM 0 H SER A 61 6.188 7.759 4.313 1.00 31.15 H new ATOM 0 HA SER A 61 3.642 8.294 3.343 1.00 60.52 H new ATOM 0 HB2 SER A 61 4.068 10.321 4.199 1.00 24.14 H new ATOM 0 HB3 SER A 61 5.622 9.677 4.689 1.00 24.14 H new ATOM 0 HG SER A 61 6.616 10.669 3.011 1.00 33.42 H new ATOM 1064 N GLU A 62 6.060 8.775 1.150 1.00 43.34 N ATOM 1065 CA GLU A 62 6.344 8.933 -0.266 1.00 62.30 C ATOM 1066 C GLU A 62 5.412 8.050 -1.096 1.00 2.22 C ATOM 1067 O GLU A 62 4.728 8.536 -1.996 1.00 1.22 O ATOM 1068 CB GLU A 62 7.810 8.620 -0.569 1.00 23.32 C ATOM 1069 CG GLU A 62 8.700 9.831 -0.284 1.00 33.21 C ATOM 1070 CD GLU A 62 8.194 11.070 -1.026 1.00 21.13 C ATOM 1071 OE1 GLU A 62 8.135 12.162 -0.440 1.00 65.32 O ATOM 1072 OE2 GLU A 62 7.857 10.871 -2.255 1.00 22.24 O ATOM 0 H GLU A 62 6.885 8.700 1.745 1.00 43.34 H new ATOM 0 HA GLU A 62 6.165 9.973 -0.539 1.00 62.30 H new ATOM 0 HB2 GLU A 62 8.137 7.774 0.035 1.00 23.32 H new ATOM 0 HB3 GLU A 62 7.914 8.325 -1.613 1.00 23.32 H new ATOM 0 HG2 GLU A 62 8.720 10.028 0.788 1.00 33.21 H new ATOM 0 HG3 GLU A 62 9.724 9.614 -0.588 1.00 33.21 H new ATOM 1080 N LEU A 63 5.414 6.767 -0.767 1.00 75.35 N ATOM 1081 CA LEU A 63 4.576 5.811 -1.471 1.00 71.31 C ATOM 1082 C LEU A 63 3.213 6.445 -1.755 1.00 34.30 C ATOM 1083 O LEU A 63 2.681 6.315 -2.856 1.00 74.31 O ATOM 1084 CB LEU A 63 4.493 4.496 -0.692 1.00 53.52 C ATOM 1085 CG LEU A 63 3.323 3.578 -1.051 1.00 3.21 C ATOM 1086 CD1 LEU A 63 3.209 3.402 -2.567 1.00 21.14 C ATOM 1087 CD2 LEU A 63 3.438 2.236 -0.326 1.00 23.34 C ATOM 0 H LEU A 63 5.983 6.366 -0.021 1.00 75.35 H new ATOM 0 HA LEU A 63 5.016 5.557 -2.435 1.00 71.31 H new ATOM 0 HB2 LEU A 63 5.421 3.946 -0.846 1.00 53.52 H new ATOM 0 HB3 LEU A 63 4.433 4.729 0.371 1.00 53.52 H new ATOM 0 HG LEU A 63 2.401 4.050 -0.711 1.00 3.21 H new ATOM 0 HD11 LEU A 63 2.370 2.745 -2.795 1.00 21.14 H new ATOM 0 HD12 LEU A 63 3.047 4.373 -3.035 1.00 21.14 H new ATOM 0 HD13 LEU A 63 4.129 2.962 -2.952 1.00 21.14 H new ATOM 0 HD21 LEU A 63 2.594 1.602 -0.598 1.00 23.34 H new ATOM 0 HD22 LEU A 63 4.368 1.746 -0.613 1.00 23.34 H new ATOM 0 HD23 LEU A 63 3.434 2.403 0.751 1.00 23.34 H new ATOM 1099 N ILE A 64 2.688 7.119 -0.742 1.00 23.04 N ATOM 1100 CA ILE A 64 1.397 7.775 -0.869 1.00 61.52 C ATOM 1101 C ILE A 64 1.519 8.948 -1.843 1.00 62.30 C ATOM 1102 O ILE A 64 0.687 9.109 -2.735 1.00 14.00 O ATOM 1103 CB ILE A 64 0.859 8.171 0.508 1.00 21.21 C ATOM 1104 CG1 ILE A 64 0.942 6.998 1.487 1.00 50.20 C ATOM 1105 CG2 ILE A 64 -0.560 8.731 0.402 1.00 30.13 C ATOM 1106 CD1 ILE A 64 1.463 7.457 2.850 1.00 54.44 C ATOM 0 H ILE A 64 3.133 7.225 0.170 1.00 23.04 H new ATOM 0 HA ILE A 64 0.661 7.089 -1.287 1.00 61.52 H new ATOM 0 HB ILE A 64 1.489 8.967 0.905 1.00 21.21 H new ATOM 0 HG12 ILE A 64 -0.043 6.547 1.604 1.00 50.20 H new ATOM 0 HG13 ILE A 64 1.599 6.228 1.083 1.00 50.20 H new ATOM 0 HG21 ILE A 64 -0.918 9.004 1.394 1.00 30.13 H new ATOM 0 HG22 ILE A 64 -0.556 9.613 -0.238 1.00 30.13 H new ATOM 0 HG23 ILE A 64 -1.218 7.975 -0.026 1.00 30.13 H new ATOM 0 HD11 ILE A 64 1.512 6.604 3.527 1.00 54.44 H new ATOM 0 HD12 ILE A 64 2.458 7.886 2.734 1.00 54.44 H new ATOM 0 HD13 ILE A 64 0.790 8.209 3.262 1.00 54.44 H new ATOM 1118 N LYS A 65 2.564 9.738 -1.639 1.00 65.21 N ATOM 1119 CA LYS A 65 2.805 10.892 -2.489 1.00 4.50 C ATOM 1120 C LYS A 65 2.779 10.456 -3.955 1.00 41.42 C ATOM 1121 O LYS A 65 2.508 11.264 -4.841 1.00 64.31 O ATOM 1122 CB LYS A 65 4.101 11.596 -2.080 1.00 50.41 C ATOM 1123 CG LYS A 65 3.897 12.427 -0.810 1.00 31.50 C ATOM 1124 CD LYS A 65 5.235 12.918 -0.256 1.00 14.42 C ATOM 1125 CE LYS A 65 5.930 13.852 -1.249 1.00 43.24 C ATOM 1126 NZ LYS A 65 5.122 15.072 -1.468 1.00 21.21 N ATOM 0 H LYS A 65 3.252 9.602 -0.899 1.00 65.21 H new ATOM 0 HA LYS A 65 2.013 11.630 -2.362 1.00 4.50 H new ATOM 0 HB2 LYS A 65 4.884 10.856 -1.913 1.00 50.41 H new ATOM 0 HB3 LYS A 65 4.440 12.241 -2.891 1.00 50.41 H new ATOM 0 HG2 LYS A 65 3.255 13.280 -1.029 1.00 31.50 H new ATOM 0 HG3 LYS A 65 3.385 11.827 -0.057 1.00 31.50 H new ATOM 0 HD2 LYS A 65 5.073 13.440 0.687 1.00 14.42 H new ATOM 0 HD3 LYS A 65 5.879 12.065 -0.042 1.00 14.42 H new ATOM 0 HE2 LYS A 65 6.916 14.125 -0.872 1.00 43.24 H new ATOM 0 HE3 LYS A 65 6.083 13.336 -2.197 1.00 43.24 H new ATOM 0 HZ1 LYS A 65 5.711 15.803 -1.916 1.00 21.21 H new ATOM 0 HZ2 LYS A 65 4.317 14.849 -2.087 1.00 21.21 H new ATOM 0 HZ3 LYS A 65 4.769 15.423 -0.555 1.00 21.21 H new ATOM 1139 N ILE A 66 3.063 9.179 -4.164 1.00 54.04 N ATOM 1140 CA ILE A 66 3.076 8.625 -5.507 1.00 32.11 C ATOM 1141 C ILE A 66 1.677 8.112 -5.855 1.00 63.23 C ATOM 1142 O ILE A 66 1.213 8.280 -6.982 1.00 3.21 O ATOM 1143 CB ILE A 66 4.170 7.565 -5.640 1.00 32.41 C ATOM 1144 CG1 ILE A 66 5.472 8.036 -4.988 1.00 34.42 C ATOM 1145 CG2 ILE A 66 4.373 7.166 -7.103 1.00 33.32 C ATOM 1146 CD1 ILE A 66 6.345 8.792 -5.992 1.00 42.45 C ATOM 0 H ILE A 66 3.286 8.512 -3.425 1.00 54.04 H new ATOM 0 HA ILE A 66 3.324 9.397 -6.235 1.00 32.11 H new ATOM 0 HB ILE A 66 3.847 6.672 -5.105 1.00 32.41 H new ATOM 0 HG12 ILE A 66 5.245 8.681 -4.139 1.00 34.42 H new ATOM 0 HG13 ILE A 66 6.019 7.178 -4.599 1.00 34.42 H new ATOM 0 HG21 ILE A 66 5.156 6.411 -7.169 1.00 33.32 H new ATOM 0 HG22 ILE A 66 3.443 6.760 -7.502 1.00 33.32 H new ATOM 0 HG23 ILE A 66 4.664 8.042 -7.682 1.00 33.32 H new ATOM 0 HD11 ILE A 66 7.264 9.116 -5.504 1.00 42.45 H new ATOM 0 HD12 ILE A 66 6.590 8.136 -6.828 1.00 42.45 H new ATOM 0 HD13 ILE A 66 5.804 9.663 -6.361 1.00 42.45 H new ATOM 1158 N ILE A 67 1.043 7.498 -4.867 1.00 34.24 N ATOM 1159 CA ILE A 67 -0.293 6.959 -5.055 1.00 32.34 C ATOM 1160 C ILE A 67 -1.239 8.088 -5.469 1.00 73.40 C ATOM 1161 O ILE A 67 -1.744 8.100 -6.591 1.00 52.31 O ATOM 1162 CB ILE A 67 -0.747 6.204 -3.804 1.00 45.44 C ATOM 1163 CG1 ILE A 67 0.025 4.892 -3.646 1.00 52.04 C ATOM 1164 CG2 ILE A 67 -2.260 5.979 -3.818 1.00 30.32 C ATOM 1165 CD1 ILE A 67 -0.412 3.868 -4.694 1.00 74.11 C ATOM 0 H ILE A 67 1.430 7.362 -3.933 1.00 34.24 H new ATOM 0 HA ILE A 67 -0.298 6.225 -5.861 1.00 32.34 H new ATOM 0 HB ILE A 67 -0.521 6.819 -2.933 1.00 45.44 H new ATOM 0 HG12 ILE A 67 1.094 5.082 -3.742 1.00 52.04 H new ATOM 0 HG13 ILE A 67 -0.139 4.488 -2.647 1.00 52.04 H new ATOM 0 HG21 ILE A 67 -2.556 5.440 -2.918 1.00 30.32 H new ATOM 0 HG22 ILE A 67 -2.771 6.941 -3.850 1.00 30.32 H new ATOM 0 HG23 ILE A 67 -2.533 5.395 -4.697 1.00 30.32 H new ATOM 0 HD11 ILE A 67 0.152 2.945 -4.559 1.00 74.11 H new ATOM 0 HD12 ILE A 67 -1.476 3.662 -4.580 1.00 74.11 H new ATOM 0 HD13 ILE A 67 -0.224 4.265 -5.691 1.00 74.11 H new ATOM 1177 N ARG A 68 -1.452 9.010 -4.541 1.00 44.40 N ATOM 1178 CA ARG A 68 -2.329 10.140 -4.796 1.00 13.42 C ATOM 1179 C ARG A 68 -1.996 10.776 -6.147 1.00 51.22 C ATOM 1180 O ARG A 68 -2.864 11.362 -6.792 1.00 0.23 O ATOM 1181 CB ARG A 68 -2.199 11.195 -3.696 1.00 13.44 C ATOM 1182 CG ARG A 68 -0.781 11.767 -3.650 1.00 12.22 C ATOM 1183 CD ARG A 68 -0.572 12.614 -2.392 1.00 24.23 C ATOM 1184 NE ARG A 68 -0.997 11.855 -1.195 1.00 63.13 N ATOM 1185 CZ ARG A 68 -1.416 12.428 -0.046 1.00 75.11 C ATOM 1186 NH1 ARG A 68 -1.470 13.771 0.071 1.00 73.42 N ATOM 1187 NH2 ARG A 68 -1.772 11.653 0.962 1.00 64.55 N ATOM 0 H ARG A 68 -1.032 8.997 -3.611 1.00 44.40 H new ATOM 0 HA ARG A 68 -3.354 9.769 -4.809 1.00 13.42 H new ATOM 0 HB2 ARG A 68 -2.914 11.999 -3.872 1.00 13.44 H new ATOM 0 HB3 ARG A 68 -2.448 10.753 -2.731 1.00 13.44 H new ATOM 0 HG2 ARG A 68 -0.056 10.953 -3.670 1.00 12.22 H new ATOM 0 HG3 ARG A 68 -0.601 12.375 -4.536 1.00 12.22 H new ATOM 0 HD2 ARG A 68 0.478 12.893 -2.302 1.00 24.23 H new ATOM 0 HD3 ARG A 68 -1.143 13.539 -2.468 1.00 24.23 H new ATOM 0 HE ARG A 68 -0.972 10.836 -1.240 1.00 63.13 H new ATOM 0 HH11 ARG A 68 -1.193 14.363 -0.712 1.00 73.42 H new ATOM 0 HH12 ARG A 68 -1.788 14.195 0.943 1.00 73.42 H new ATOM 0 HH21 ARG A 68 -1.728 10.639 0.866 1.00 64.55 H new ATOM 0 HH22 ARG A 68 -2.091 12.069 1.837 1.00 64.55 H new ATOM 1200 N ARG A 69 -0.736 10.640 -6.535 1.00 52.40 N ATOM 1201 CA ARG A 69 -0.277 11.194 -7.797 1.00 45.24 C ATOM 1202 C ARG A 69 -0.817 10.370 -8.967 1.00 0.14 C ATOM 1203 O ARG A 69 -1.147 10.918 -10.017 1.00 4.20 O ATOM 1204 CB ARG A 69 1.251 11.223 -7.864 1.00 70.32 C ATOM 1205 CG ARG A 69 1.791 12.608 -7.506 1.00 44.21 C ATOM 1206 CD ARG A 69 1.442 13.630 -8.589 1.00 0.22 C ATOM 1207 NE ARG A 69 0.200 14.347 -8.227 1.00 10.40 N ATOM 1208 CZ ARG A 69 -0.396 15.272 -9.009 1.00 73.23 C ATOM 1209 NH1 ARG A 69 0.133 15.599 -10.207 1.00 43.44 N ATOM 1210 NH2 ARG A 69 -1.504 15.851 -8.585 1.00 11.44 N ATOM 0 H ARG A 69 -0.019 10.154 -5.997 1.00 52.40 H new ATOM 0 HA ARG A 69 -0.651 12.216 -7.865 1.00 45.24 H new ATOM 0 HB2 ARG A 69 1.662 10.481 -7.180 1.00 70.32 H new ATOM 0 HB3 ARG A 69 1.580 10.949 -8.867 1.00 70.32 H new ATOM 0 HG2 ARG A 69 1.375 12.929 -6.551 1.00 44.21 H new ATOM 0 HG3 ARG A 69 2.873 12.559 -7.382 1.00 44.21 H new ATOM 0 HD2 ARG A 69 2.260 14.340 -8.707 1.00 0.22 H new ATOM 0 HD3 ARG A 69 1.315 13.127 -9.548 1.00 0.22 H new ATOM 0 HE ARG A 69 -0.234 14.129 -7.330 1.00 10.40 H new ATOM 0 HH11 ARG A 69 0.989 15.146 -10.527 1.00 43.44 H new ATOM 0 HH12 ARG A 69 -0.323 16.299 -10.792 1.00 43.44 H new ATOM 0 HH21 ARG A 69 -1.897 15.597 -7.679 1.00 11.44 H new ATOM 0 HH22 ARG A 69 -1.967 16.552 -9.164 1.00 11.44 H new ATOM 1223 N ARG A 70 -0.890 9.065 -8.745 1.00 44.14 N ATOM 1224 CA ARG A 70 -1.385 8.159 -9.768 1.00 12.55 C ATOM 1225 C ARG A 70 -2.895 8.332 -9.946 1.00 23.22 C ATOM 1226 O ARG A 70 -3.392 8.350 -11.070 1.00 5.20 O ATOM 1227 CB ARG A 70 -1.085 6.703 -9.405 1.00 25.13 C ATOM 1228 CG ARG A 70 0.223 6.236 -10.051 1.00 50.40 C ATOM 1229 CD ARG A 70 1.369 6.248 -9.037 1.00 24.25 C ATOM 1230 NE ARG A 70 2.293 7.365 -9.332 1.00 54.32 N ATOM 1231 CZ ARG A 70 3.279 7.311 -10.253 1.00 71.15 C ATOM 1232 NH1 ARG A 70 3.476 6.189 -10.979 1.00 51.00 N ATOM 1233 NH2 ARG A 70 4.046 8.369 -10.432 1.00 40.12 N ATOM 0 H ARG A 70 -0.615 8.614 -7.872 1.00 44.14 H new ATOM 0 HA ARG A 70 -0.876 8.402 -10.701 1.00 12.55 H new ATOM 0 HB2 ARG A 70 -1.017 6.601 -8.322 1.00 25.13 H new ATOM 0 HB3 ARG A 70 -1.906 6.066 -9.734 1.00 25.13 H new ATOM 0 HG2 ARG A 70 0.097 5.230 -10.451 1.00 50.40 H new ATOM 0 HG3 ARG A 70 0.470 6.884 -10.892 1.00 50.40 H new ATOM 0 HD2 ARG A 70 0.971 6.351 -8.027 1.00 24.25 H new ATOM 0 HD3 ARG A 70 1.907 5.301 -9.073 1.00 24.25 H new ATOM 0 HE ARG A 70 2.178 8.231 -8.806 1.00 54.32 H new ATOM 0 HH11 ARG A 70 2.878 5.376 -10.833 1.00 51.00 H new ATOM 0 HH12 ARG A 70 4.223 6.155 -11.673 1.00 51.00 H new ATOM 0 HH21 ARG A 70 3.890 9.212 -9.879 1.00 40.12 H new ATOM 0 HH22 ARG A 70 4.795 8.345 -11.124 1.00 40.12 H new ATOM 1246 N LEU A 71 -3.580 8.456 -8.819 1.00 54.34 N ATOM 1247 CA LEU A 71 -5.023 8.627 -8.836 1.00 61.25 C ATOM 1248 C LEU A 71 -5.359 10.043 -9.307 1.00 45.53 C ATOM 1249 O LEU A 71 -6.528 10.380 -9.490 1.00 31.41 O ATOM 1250 CB LEU A 71 -5.620 8.275 -7.472 1.00 11.24 C ATOM 1251 CG LEU A 71 -5.635 6.789 -7.110 1.00 72.23 C ATOM 1252 CD1 LEU A 71 -5.914 6.590 -5.619 1.00 40.55 C ATOM 1253 CD2 LEU A 71 -6.629 6.022 -7.986 1.00 31.15 C ATOM 0 H LEU A 71 -3.163 8.442 -7.888 1.00 54.34 H new ATOM 0 HA LEU A 71 -5.480 7.938 -9.546 1.00 61.25 H new ATOM 0 HB2 LEU A 71 -5.061 8.810 -6.704 1.00 11.24 H new ATOM 0 HB3 LEU A 71 -6.644 8.647 -7.439 1.00 11.24 H new ATOM 0 HG LEU A 71 -4.645 6.379 -7.310 1.00 72.23 H new ATOM 0 HD11 LEU A 71 -5.919 5.525 -5.389 1.00 40.55 H new ATOM 0 HD12 LEU A 71 -5.138 7.084 -5.035 1.00 40.55 H new ATOM 0 HD13 LEU A 71 -6.884 7.020 -5.370 1.00 40.55 H new ATOM 0 HD21 LEU A 71 -6.620 4.968 -7.709 1.00 31.15 H new ATOM 0 HD22 LEU A 71 -7.630 6.427 -7.841 1.00 31.15 H new ATOM 0 HD23 LEU A 71 -6.345 6.124 -9.033 1.00 31.15 H new ATOM 1265 N GLN A 72 -4.312 10.835 -9.491 1.00 1.14 N ATOM 1266 CA GLN A 72 -4.482 12.207 -9.938 1.00 2.32 C ATOM 1267 C GLN A 72 -5.601 12.888 -9.149 1.00 41.52 C ATOM 1268 O GLN A 72 -6.405 13.627 -9.716 1.00 73.52 O ATOM 1269 CB GLN A 72 -4.757 12.264 -11.441 1.00 45.04 C ATOM 1270 CG GLN A 72 -6.025 11.484 -11.796 1.00 10.21 C ATOM 1271 CD GLN A 72 -6.419 11.712 -13.257 1.00 21.30 C ATOM 1272 OE1 GLN A 72 -6.003 12.664 -13.898 1.00 5.54 O ATOM 1273 NE2 GLN A 72 -7.240 10.788 -13.747 1.00 53.14 N ATOM 0 H GLN A 72 -3.344 10.553 -9.339 1.00 1.14 H new ATOM 0 HA GLN A 72 -3.553 12.747 -9.752 1.00 2.32 H new ATOM 0 HB2 GLN A 72 -4.864 13.302 -11.756 1.00 45.04 H new ATOM 0 HB3 GLN A 72 -3.908 11.852 -11.986 1.00 45.04 H new ATOM 0 HG2 GLN A 72 -5.863 10.420 -11.621 1.00 10.21 H new ATOM 0 HG3 GLN A 72 -6.841 11.793 -11.143 1.00 10.21 H new ATOM 0 HE21 GLN A 72 -7.550 10.017 -13.156 1.00 53.14 H new ATOM 0 HE22 GLN A 72 -7.559 10.851 -14.714 1.00 53.14 H new ATOM 1282 N LEU A 73 -5.619 12.615 -7.852 1.00 45.22 N ATOM 1283 CA LEU A 73 -6.628 13.192 -6.979 1.00 53.22 C ATOM 1284 C LEU A 73 -6.338 14.682 -6.789 1.00 1.12 C ATOM 1285 O LEU A 73 -5.302 15.179 -7.229 1.00 24.52 O ATOM 1286 CB LEU A 73 -6.711 12.409 -5.667 1.00 60.03 C ATOM 1287 CG LEU A 73 -6.873 10.894 -5.801 1.00 42.11 C ATOM 1288 CD1 LEU A 73 -6.676 10.201 -4.450 1.00 2.10 C ATOM 1289 CD2 LEU A 73 -8.219 10.539 -6.434 1.00 40.04 C ATOM 0 H LEU A 73 -4.951 12.002 -7.385 1.00 45.22 H new ATOM 0 HA LEU A 73 -7.616 13.114 -7.433 1.00 53.22 H new ATOM 0 HB2 LEU A 73 -5.808 12.609 -5.090 1.00 60.03 H new ATOM 0 HB3 LEU A 73 -7.551 12.795 -5.089 1.00 60.03 H new ATOM 0 HG LEU A 73 -6.096 10.526 -6.471 1.00 42.11 H new ATOM 0 HD11 LEU A 73 -6.796 9.125 -4.572 1.00 2.10 H new ATOM 0 HD12 LEU A 73 -5.675 10.414 -4.074 1.00 2.10 H new ATOM 0 HD13 LEU A 73 -7.416 10.570 -3.740 1.00 2.10 H new ATOM 0 HD21 LEU A 73 -8.308 9.456 -6.517 1.00 40.04 H new ATOM 0 HD22 LEU A 73 -9.027 10.922 -5.810 1.00 40.04 H new ATOM 0 HD23 LEU A 73 -8.284 10.986 -7.426 1.00 40.04 H new ATOM 1301 N ASN A 74 -7.272 15.354 -6.132 1.00 35.22 N ATOM 1302 CA ASN A 74 -7.131 16.778 -5.878 1.00 74.20 C ATOM 1303 C ASN A 74 -7.191 17.031 -4.370 1.00 51.40 C ATOM 1304 O ASN A 74 -7.267 16.090 -3.582 1.00 1.13 O ATOM 1305 CB ASN A 74 -8.262 17.570 -6.536 1.00 44.21 C ATOM 1306 CG ASN A 74 -7.880 17.998 -7.955 1.00 42.24 C ATOM 1307 OD1 ASN A 74 -6.886 18.669 -8.181 1.00 33.31 O ATOM 1308 ND2 ASN A 74 -8.721 17.574 -8.893 1.00 1.30 N ATOM 0 H ASN A 74 -8.130 14.939 -5.768 1.00 35.22 H new ATOM 0 HA ASN A 74 -6.176 17.101 -6.293 1.00 74.20 H new ATOM 0 HB2 ASN A 74 -9.166 16.962 -6.567 1.00 44.21 H new ATOM 0 HB3 ASN A 74 -8.491 18.451 -5.936 1.00 44.21 H new ATOM 0 HD21 ASN A 74 -8.553 17.807 -9.872 1.00 1.30 H new ATOM 0 HD22 ASN A 74 -9.534 17.016 -8.634 1.00 1.30 H new ATOM 1315 N ALA A 75 -7.155 18.307 -4.015 1.00 12.11 N ATOM 1316 CA ALA A 75 -7.205 18.695 -2.615 1.00 24.42 C ATOM 1317 C ALA A 75 -8.625 18.493 -2.085 1.00 44.43 C ATOM 1318 O ALA A 75 -8.852 18.535 -0.876 1.00 11.42 O ATOM 1319 CB ALA A 75 -6.729 20.142 -2.470 1.00 14.40 C ATOM 0 H ALA A 75 -7.092 19.085 -4.672 1.00 12.11 H new ATOM 0 HA ALA A 75 -6.539 18.071 -2.019 1.00 24.42 H new ATOM 0 HB1 ALA A 75 -6.766 20.434 -1.420 1.00 14.40 H new ATOM 0 HB2 ALA A 75 -5.705 20.226 -2.834 1.00 14.40 H new ATOM 0 HB3 ALA A 75 -7.376 20.798 -3.052 1.00 14.40 H new ATOM 1325 N ASN A 76 -9.545 18.279 -3.014 1.00 1.33 N ATOM 1326 CA ASN A 76 -10.938 18.070 -2.655 1.00 24.12 C ATOM 1327 C ASN A 76 -11.167 16.586 -2.358 1.00 74.34 C ATOM 1328 O ASN A 76 -12.052 16.236 -1.579 1.00 61.04 O ATOM 1329 CB ASN A 76 -11.868 18.471 -3.802 1.00 13.50 C ATOM 1330 CG ASN A 76 -11.774 17.474 -4.958 1.00 64.51 C ATOM 1331 OD1 ASN A 76 -12.426 16.335 -4.745 1.00 13.31 O flip ATOM 1332 ND2 ASN A 76 -11.151 17.723 -5.977 1.00 33.55 N flip ATOM 0 H ASN A 76 -9.353 18.246 -4.015 1.00 1.33 H new ATOM 0 HA ASN A 76 -11.157 18.684 -1.781 1.00 24.12 H new ATOM 0 HB2 ASN A 76 -12.896 18.520 -3.442 1.00 13.50 H new ATOM 0 HB3 ASN A 76 -11.607 19.468 -4.155 1.00 13.50 H new ATOM 0 HD21 ASN A 76 -10.672 18.618 -6.076 1.00 33.55 H new ATOM 0 HD22 ASN A 76 -11.109 17.036 -6.730 1.00 33.55 H new ATOM 1339 N GLN A 77 -10.352 15.756 -2.992 1.00 5.11 N ATOM 1340 CA GLN A 77 -10.455 14.319 -2.805 1.00 23.14 C ATOM 1341 C GLN A 77 -9.612 13.878 -1.608 1.00 75.30 C ATOM 1342 O GLN A 77 -8.524 14.406 -1.381 1.00 22.03 O ATOM 1343 CB GLN A 77 -10.039 13.570 -4.074 1.00 64.02 C ATOM 1344 CG GLN A 77 -9.978 12.061 -3.824 1.00 4.53 C ATOM 1345 CD GLN A 77 -11.384 11.457 -3.773 1.00 63.11 C ATOM 1346 OE1 GLN A 77 -12.164 11.554 -4.706 1.00 32.13 O ATOM 1347 NE2 GLN A 77 -11.661 10.833 -2.632 1.00 2.12 N ATOM 0 H GLN A 77 -9.618 16.051 -3.636 1.00 5.11 H new ATOM 0 HA GLN A 77 -11.497 14.072 -2.601 1.00 23.14 H new ATOM 0 HB2 GLN A 77 -10.748 13.781 -4.874 1.00 64.02 H new ATOM 0 HB3 GLN A 77 -9.065 13.927 -4.409 1.00 64.02 H new ATOM 0 HG2 GLN A 77 -9.400 11.581 -4.614 1.00 4.53 H new ATOM 0 HG3 GLN A 77 -9.460 11.865 -2.886 1.00 4.53 H new ATOM 0 HE21 GLN A 77 -10.961 10.789 -1.892 1.00 2.12 H new ATOM 0 HE22 GLN A 77 -12.574 10.398 -2.497 1.00 2.12 H new ATOM 1356 N ALA A 78 -10.146 12.914 -0.871 1.00 0.35 N ATOM 1357 CA ALA A 78 -9.457 12.397 0.298 1.00 43.41 C ATOM 1358 C ALA A 78 -8.983 10.970 0.016 1.00 61.31 C ATOM 1359 O ALA A 78 -9.641 10.225 -0.710 1.00 75.30 O ATOM 1360 CB ALA A 78 -10.384 12.474 1.513 1.00 61.34 C ATOM 0 H ALA A 78 -11.048 12.478 -1.062 1.00 0.35 H new ATOM 0 HA ALA A 78 -8.576 12.999 0.521 1.00 43.41 H new ATOM 0 HB1 ALA A 78 -9.867 12.086 2.390 1.00 61.34 H new ATOM 0 HB2 ALA A 78 -10.668 13.512 1.689 1.00 61.34 H new ATOM 0 HB3 ALA A 78 -11.278 11.879 1.327 1.00 61.34 H new ATOM 1366 N PHE A 79 -7.846 10.631 0.604 1.00 75.54 N ATOM 1367 CA PHE A 79 -7.276 9.306 0.424 1.00 50.43 C ATOM 1368 C PHE A 79 -6.340 8.950 1.581 1.00 43.02 C ATOM 1369 O PHE A 79 -5.651 9.817 2.115 1.00 63.34 O ATOM 1370 CB PHE A 79 -6.472 9.337 -0.876 1.00 54.22 C ATOM 1371 CG PHE A 79 -5.419 8.233 -0.984 1.00 64.41 C ATOM 1372 CD1 PHE A 79 -4.321 8.259 -0.180 1.00 44.31 C ATOM 1373 CD2 PHE A 79 -5.579 7.224 -1.882 1.00 41.31 C ATOM 1374 CE1 PHE A 79 -3.344 7.234 -0.279 1.00 23.15 C ATOM 1375 CE2 PHE A 79 -4.601 6.200 -1.982 1.00 70.15 C ATOM 1376 CZ PHE A 79 -3.505 6.226 -1.178 1.00 20.55 C ATOM 0 H PHE A 79 -7.303 11.251 1.206 1.00 75.54 H new ATOM 0 HA PHE A 79 -8.071 8.561 0.392 1.00 50.43 H new ATOM 0 HB2 PHE A 79 -7.159 9.253 -1.718 1.00 54.22 H new ATOM 0 HB3 PHE A 79 -5.979 10.305 -0.963 1.00 54.22 H new ATOM 0 HD1 PHE A 79 -4.193 9.060 0.533 1.00 44.31 H new ATOM 0 HD2 PHE A 79 -6.451 7.202 -2.519 1.00 41.31 H new ATOM 0 HE1 PHE A 79 -2.473 7.254 0.359 1.00 23.15 H new ATOM 0 HE2 PHE A 79 -4.728 5.400 -2.697 1.00 70.15 H new ATOM 0 HZ PHE A 79 -2.762 5.446 -1.253 1.00 20.55 H new ATOM 1386 N PHE A 80 -6.345 7.673 1.932 1.00 13.24 N ATOM 1387 CA PHE A 80 -5.504 7.191 3.015 1.00 53.43 C ATOM 1388 C PHE A 80 -4.962 5.794 2.709 1.00 1.31 C ATOM 1389 O PHE A 80 -5.730 4.862 2.474 1.00 11.12 O ATOM 1390 CB PHE A 80 -6.383 7.121 4.266 1.00 51.05 C ATOM 1391 CG PHE A 80 -6.779 8.488 4.826 1.00 52.55 C ATOM 1392 CD1 PHE A 80 -5.840 9.283 5.406 1.00 20.11 C ATOM 1393 CD2 PHE A 80 -8.069 8.909 4.744 1.00 23.51 C ATOM 1394 CE1 PHE A 80 -6.207 10.553 5.926 1.00 2.11 C ATOM 1395 CE2 PHE A 80 -8.436 10.179 5.263 1.00 25.31 C ATOM 1396 CZ PHE A 80 -7.498 10.974 5.844 1.00 53.22 C ATOM 0 H PHE A 80 -6.918 6.957 1.486 1.00 13.24 H new ATOM 0 HA PHE A 80 -4.654 7.859 3.151 1.00 53.43 H new ATOM 0 HB2 PHE A 80 -7.288 6.560 4.031 1.00 51.05 H new ATOM 0 HB3 PHE A 80 -5.854 6.563 5.038 1.00 51.05 H new ATOM 0 HD1 PHE A 80 -4.815 8.949 5.471 1.00 20.11 H new ATOM 0 HD2 PHE A 80 -8.815 8.278 4.284 1.00 23.51 H new ATOM 0 HE1 PHE A 80 -5.461 11.184 6.386 1.00 2.11 H new ATOM 0 HE2 PHE A 80 -9.461 10.514 5.196 1.00 25.31 H new ATOM 0 HZ PHE A 80 -7.778 11.939 6.240 1.00 53.22 H new ATOM 1406 N LEU A 81 -3.641 5.692 2.720 1.00 13.24 N ATOM 1407 CA LEU A 81 -2.985 4.423 2.447 1.00 10.45 C ATOM 1408 C LEU A 81 -2.885 3.616 3.743 1.00 41.41 C ATOM 1409 O LEU A 81 -2.118 3.966 4.637 1.00 2.13 O ATOM 1410 CB LEU A 81 -1.639 4.654 1.759 1.00 51.24 C ATOM 1411 CG LEU A 81 -1.010 3.430 1.089 1.00 41.44 C ATOM 1412 CD1 LEU A 81 -2.024 2.292 0.963 1.00 70.10 C ATOM 1413 CD2 LEU A 81 -0.394 3.801 -0.262 1.00 32.24 C ATOM 0 H LEU A 81 -3.007 6.467 2.914 1.00 13.24 H new ATOM 0 HA LEU A 81 -3.576 3.830 1.748 1.00 10.45 H new ATOM 0 HB2 LEU A 81 -1.767 5.431 1.005 1.00 51.24 H new ATOM 0 HB3 LEU A 81 -0.937 5.040 2.498 1.00 51.24 H new ATOM 0 HG LEU A 81 -0.201 3.071 1.725 1.00 41.44 H new ATOM 0 HD11 LEU A 81 -1.551 1.435 0.484 1.00 70.10 H new ATOM 0 HD12 LEU A 81 -2.375 2.006 1.955 1.00 70.10 H new ATOM 0 HD13 LEU A 81 -2.870 2.623 0.361 1.00 70.10 H new ATOM 0 HD21 LEU A 81 0.046 2.914 -0.717 1.00 32.24 H new ATOM 0 HD22 LEU A 81 -1.168 4.199 -0.918 1.00 32.24 H new ATOM 0 HD23 LEU A 81 0.379 4.555 -0.115 1.00 32.24 H new ATOM 1425 N LEU A 82 -3.671 2.551 3.801 1.00 11.13 N ATOM 1426 CA LEU A 82 -3.680 1.691 4.972 1.00 2.41 C ATOM 1427 C LEU A 82 -2.609 0.609 4.813 1.00 23.30 C ATOM 1428 O LEU A 82 -2.765 -0.308 4.008 1.00 74.12 O ATOM 1429 CB LEU A 82 -5.084 1.137 5.219 1.00 22.52 C ATOM 1430 CG LEU A 82 -6.117 2.136 5.746 1.00 4.22 C ATOM 1431 CD1 LEU A 82 -5.599 2.853 6.994 1.00 24.35 C ATOM 1432 CD2 LEU A 82 -6.536 3.119 4.651 1.00 2.33 C ATOM 0 H LEU A 82 -4.306 2.264 3.056 1.00 11.13 H new ATOM 0 HA LEU A 82 -3.427 2.261 5.866 1.00 2.41 H new ATOM 0 HB2 LEU A 82 -5.457 0.718 4.285 1.00 22.52 H new ATOM 0 HB3 LEU A 82 -5.008 0.314 5.930 1.00 22.52 H new ATOM 0 HG LEU A 82 -7.009 1.583 6.040 1.00 4.22 H new ATOM 0 HD11 LEU A 82 -6.352 3.557 7.348 1.00 24.35 H new ATOM 0 HD12 LEU A 82 -5.391 2.121 7.774 1.00 24.35 H new ATOM 0 HD13 LEU A 82 -4.684 3.393 6.750 1.00 24.35 H new ATOM 0 HD21 LEU A 82 -7.270 3.818 5.051 1.00 2.33 H new ATOM 0 HD22 LEU A 82 -5.662 3.670 4.303 1.00 2.33 H new ATOM 0 HD23 LEU A 82 -6.974 2.570 3.817 1.00 2.33 H new ATOM 1444 N VAL A 83 -1.549 0.752 5.593 1.00 23.42 N ATOM 1445 CA VAL A 83 -0.453 -0.203 5.549 1.00 54.23 C ATOM 1446 C VAL A 83 -0.850 -1.463 6.321 1.00 0.12 C ATOM 1447 O VAL A 83 -0.977 -1.432 7.544 1.00 11.13 O ATOM 1448 CB VAL A 83 0.827 0.446 6.080 1.00 55.34 C ATOM 1449 CG1 VAL A 83 1.849 -0.616 6.489 1.00 75.33 C ATOM 1450 CG2 VAL A 83 1.420 1.411 5.050 1.00 25.30 C ATOM 0 H VAL A 83 -1.424 1.514 6.259 1.00 23.42 H new ATOM 0 HA VAL A 83 -0.247 -0.503 4.521 1.00 54.23 H new ATOM 0 HB VAL A 83 0.568 1.022 6.968 1.00 55.34 H new ATOM 0 HG11 VAL A 83 2.750 -0.129 6.863 1.00 75.33 H new ATOM 0 HG12 VAL A 83 1.426 -1.246 7.271 1.00 75.33 H new ATOM 0 HG13 VAL A 83 2.101 -1.231 5.625 1.00 75.33 H new ATOM 0 HG21 VAL A 83 2.329 1.859 5.452 1.00 25.30 H new ATOM 0 HG22 VAL A 83 1.657 0.867 4.136 1.00 25.30 H new ATOM 0 HG23 VAL A 83 0.697 2.195 4.828 1.00 25.30 H new ATOM 1460 N ASN A 84 -1.034 -2.542 5.574 1.00 71.21 N ATOM 1461 CA ASN A 84 -1.413 -3.810 6.172 1.00 22.42 C ATOM 1462 C ASN A 84 -2.824 -3.695 6.750 1.00 41.23 C ATOM 1463 O ASN A 84 -3.277 -4.580 7.474 1.00 15.22 O ATOM 1464 CB ASN A 84 -0.464 -4.187 7.312 1.00 70.52 C ATOM 1465 CG ASN A 84 0.452 -5.343 6.905 1.00 20.31 C ATOM 1466 OD1 ASN A 84 0.189 -6.076 5.966 1.00 32.51 O ATOM 1467 ND2 ASN A 84 1.539 -5.464 7.661 1.00 73.33 N ATOM 0 H ASN A 84 -0.927 -2.564 4.560 1.00 71.21 H new ATOM 0 HA ASN A 84 -1.368 -4.575 5.397 1.00 22.42 H new ATOM 0 HB2 ASN A 84 0.138 -3.322 7.589 1.00 70.52 H new ATOM 0 HB3 ASN A 84 -1.042 -4.469 8.192 1.00 70.52 H new ATOM 0 HD21 ASN A 84 2.213 -6.205 7.470 1.00 73.33 H new ATOM 0 HD22 ASN A 84 1.698 -4.816 8.432 1.00 73.33 H new ATOM 1474 N GLY A 85 -3.481 -2.596 6.409 1.00 4.15 N ATOM 1475 CA GLY A 85 -4.832 -2.353 6.886 1.00 4.21 C ATOM 1476 C GLY A 85 -4.836 -1.338 8.030 1.00 61.15 C ATOM 1477 O GLY A 85 -5.860 -1.134 8.681 1.00 20.01 O ATOM 0 H GLY A 85 -3.103 -1.864 5.808 1.00 4.15 H new ATOM 0 HA2 GLY A 85 -5.450 -1.985 6.067 1.00 4.21 H new ATOM 0 HA3 GLY A 85 -5.276 -3.289 7.224 1.00 4.21 H new ATOM 1481 N HIS A 86 -3.679 -0.727 8.240 1.00 25.23 N ATOM 1482 CA HIS A 86 -3.537 0.263 9.295 1.00 11.12 C ATOM 1483 C HIS A 86 -2.911 1.537 8.721 1.00 50.33 C ATOM 1484 O HIS A 86 -1.970 1.470 7.934 1.00 50.41 O ATOM 1485 CB HIS A 86 -2.744 -0.308 10.473 1.00 31.02 C ATOM 1486 CG HIS A 86 -1.370 -0.813 10.101 1.00 33.33 C ATOM 1487 ND1 HIS A 86 -0.393 0.003 9.558 1.00 72.14 N ATOM 1488 CD2 HIS A 86 -0.822 -2.057 10.201 1.00 74.02 C ATOM 1489 CE1 HIS A 86 0.690 -0.728 9.344 1.00 52.33 C ATOM 1490 NE2 HIS A 86 0.423 -2.006 9.743 1.00 4.14 N ATOM 0 H HIS A 86 -2.832 -0.898 7.698 1.00 25.23 H new ATOM 0 HA HIS A 86 -4.519 0.526 9.687 1.00 11.12 H new ATOM 0 HB2 HIS A 86 -2.642 0.463 11.237 1.00 31.02 H new ATOM 0 HB3 HIS A 86 -3.312 -1.125 10.918 1.00 31.02 H new ATOM 0 HD1 HIS A 86 -0.491 0.998 9.357 1.00 72.14 H new ATOM 0 HD2 HIS A 86 -1.317 -2.936 10.587 1.00 74.02 H new ATOM 0 HE1 HIS A 86 1.622 -0.375 8.927 1.00 52.33 H new ATOM 0 HE2 HIS A 86 1.072 -2.791 9.697 1.00 4.14 H new ATOM 1498 N SER A 87 -3.461 2.667 9.141 1.00 21.12 N ATOM 1499 CA SER A 87 -2.968 3.954 8.679 1.00 35.33 C ATOM 1500 C SER A 87 -1.484 4.099 9.018 1.00 12.03 C ATOM 1501 O SER A 87 -0.927 3.280 9.748 1.00 44.20 O ATOM 1502 CB SER A 87 -3.769 5.103 9.297 1.00 21.01 C ATOM 1503 OG SER A 87 -4.566 4.669 10.396 1.00 72.54 O ATOM 0 H SER A 87 -4.242 2.718 9.795 1.00 21.12 H new ATOM 0 HA SER A 87 -3.092 4.000 7.597 1.00 35.33 H new ATOM 0 HB2 SER A 87 -3.085 5.883 9.631 1.00 21.01 H new ATOM 0 HB3 SER A 87 -4.411 5.547 8.537 1.00 21.01 H new ATOM 0 HG SER A 87 -5.060 5.432 10.763 1.00 72.54 H new ATOM 1509 N MET A 88 -0.885 5.146 8.472 1.00 23.44 N ATOM 1510 CA MET A 88 0.525 5.409 8.706 1.00 70.11 C ATOM 1511 C MET A 88 0.718 6.723 9.466 1.00 34.21 C ATOM 1512 O MET A 88 1.799 7.311 9.432 1.00 30.24 O ATOM 1513 CB MET A 88 1.262 5.480 7.368 1.00 23.21 C ATOM 1514 CG MET A 88 0.376 6.101 6.286 1.00 12.04 C ATOM 1515 SD MET A 88 -0.122 7.744 6.776 1.00 73.31 S ATOM 1516 CE MET A 88 -1.796 7.758 6.155 1.00 51.33 C ATOM 0 H MET A 88 -1.350 5.823 7.868 1.00 23.44 H new ATOM 0 HA MET A 88 0.931 4.598 9.310 1.00 70.11 H new ATOM 0 HB2 MET A 88 2.172 6.070 7.481 1.00 23.21 H new ATOM 0 HB3 MET A 88 1.567 4.479 7.063 1.00 23.21 H new ATOM 0 HG2 MET A 88 0.917 6.142 5.341 1.00 12.04 H new ATOM 0 HG3 MET A 88 -0.504 5.479 6.123 1.00 12.04 H new ATOM 0 HE1 MET A 88 -2.414 8.392 6.790 1.00 51.33 H new ATOM 0 HE2 MET A 88 -1.803 8.147 5.137 1.00 51.33 H new ATOM 0 HE3 MET A 88 -2.194 6.743 6.158 1.00 51.33 H new ATOM 1526 N VAL A 89 -0.345 7.147 10.133 1.00 62.44 N ATOM 1527 CA VAL A 89 -0.306 8.381 10.899 1.00 62.21 C ATOM 1528 C VAL A 89 1.021 8.463 11.658 1.00 24.13 C ATOM 1529 O VAL A 89 1.399 7.524 12.357 1.00 1.15 O ATOM 1530 CB VAL A 89 -1.527 8.466 11.818 1.00 72.11 C ATOM 1531 CG1 VAL A 89 -2.807 8.105 11.063 1.00 53.23 C ATOM 1532 CG2 VAL A 89 -1.348 7.578 13.051 1.00 72.21 C ATOM 0 H VAL A 89 -1.239 6.657 10.159 1.00 62.44 H new ATOM 0 HA VAL A 89 -0.355 9.244 10.235 1.00 62.21 H new ATOM 0 HB VAL A 89 -1.619 9.497 12.159 1.00 72.11 H new ATOM 0 HG11 VAL A 89 -3.660 8.173 11.739 1.00 53.23 H new ATOM 0 HG12 VAL A 89 -2.946 8.796 10.232 1.00 53.23 H new ATOM 0 HG13 VAL A 89 -2.729 7.088 10.679 1.00 53.23 H new ATOM 0 HG21 VAL A 89 -2.230 7.657 13.687 1.00 72.21 H new ATOM 0 HG22 VAL A 89 -1.218 6.542 12.738 1.00 72.21 H new ATOM 0 HG23 VAL A 89 -0.469 7.902 13.608 1.00 72.21 H new ATOM 1542 N SER A 90 1.690 9.595 11.495 1.00 43.15 N ATOM 1543 CA SER A 90 2.965 9.812 12.156 1.00 5.54 C ATOM 1544 C SER A 90 4.054 8.974 11.482 1.00 40.34 C ATOM 1545 O SER A 90 4.925 8.424 12.153 1.00 35.33 O ATOM 1546 CB SER A 90 2.880 9.470 13.645 1.00 14.32 C ATOM 1547 OG SER A 90 1.735 10.054 14.261 1.00 2.52 O ATOM 0 H SER A 90 1.373 10.371 10.915 1.00 43.15 H new ATOM 0 HA SER A 90 3.220 10.868 12.067 1.00 5.54 H new ATOM 0 HB2 SER A 90 2.845 8.387 13.767 1.00 14.32 H new ATOM 0 HB3 SER A 90 3.781 9.819 14.149 1.00 14.32 H new ATOM 0 HG SER A 90 1.715 9.812 15.210 1.00 2.52 H new ATOM 1553 N VAL A 91 3.968 8.904 10.162 1.00 73.43 N ATOM 1554 CA VAL A 91 4.934 8.142 9.388 1.00 23.12 C ATOM 1555 C VAL A 91 6.329 8.342 9.984 1.00 2.11 C ATOM 1556 O VAL A 91 6.994 9.335 9.697 1.00 34.04 O ATOM 1557 CB VAL A 91 4.852 8.539 7.912 1.00 41.51 C ATOM 1558 CG1 VAL A 91 4.417 9.997 7.759 1.00 4.23 C ATOM 1559 CG2 VAL A 91 6.184 8.288 7.203 1.00 15.53 C ATOM 0 H VAL A 91 3.244 9.362 9.608 1.00 73.43 H new ATOM 0 HA VAL A 91 4.708 7.077 9.437 1.00 23.12 H new ATOM 0 HB VAL A 91 4.096 7.913 7.438 1.00 41.51 H new ATOM 0 HG11 VAL A 91 4.367 10.253 6.701 1.00 4.23 H new ATOM 0 HG12 VAL A 91 3.435 10.133 8.212 1.00 4.23 H new ATOM 0 HG13 VAL A 91 5.139 10.646 8.255 1.00 4.23 H new ATOM 0 HG21 VAL A 91 6.099 8.578 6.156 1.00 15.53 H new ATOM 0 HG22 VAL A 91 6.967 8.877 7.681 1.00 15.53 H new ATOM 0 HG23 VAL A 91 6.436 7.230 7.267 1.00 15.53 H new ATOM 1569 N SER A 92 6.729 7.382 10.805 1.00 1.13 N ATOM 1570 CA SER A 92 8.034 7.440 11.444 1.00 51.40 C ATOM 1571 C SER A 92 8.865 6.217 11.048 1.00 74.42 C ATOM 1572 O SER A 92 9.912 5.957 11.639 1.00 22.05 O ATOM 1573 CB SER A 92 7.897 7.518 12.965 1.00 12.45 C ATOM 1574 OG SER A 92 7.686 8.854 13.415 1.00 11.51 O ATOM 0 H SER A 92 6.173 6.560 11.043 1.00 1.13 H new ATOM 0 HA SER A 92 8.543 8.342 11.104 1.00 51.40 H new ATOM 0 HB2 SER A 92 7.065 6.892 13.287 1.00 12.45 H new ATOM 0 HB3 SER A 92 8.797 7.116 13.431 1.00 12.45 H new ATOM 0 HG SER A 92 6.776 9.137 13.185 1.00 11.51 H new ATOM 1580 N THR A 93 8.368 5.502 10.049 1.00 61.14 N ATOM 1581 CA THR A 93 9.052 4.314 9.567 1.00 63.22 C ATOM 1582 C THR A 93 9.247 4.389 8.052 1.00 21.35 C ATOM 1583 O THR A 93 8.295 4.632 7.312 1.00 40.15 O ATOM 1584 CB THR A 93 8.251 3.091 10.018 1.00 14.31 C ATOM 1585 OG1 THR A 93 8.210 3.207 11.438 1.00 4.41 O ATOM 1586 CG2 THR A 93 8.998 1.779 9.773 1.00 72.01 C ATOM 0 H THR A 93 7.500 5.723 9.560 1.00 61.14 H new ATOM 0 HA THR A 93 10.054 4.236 9.988 1.00 63.22 H new ATOM 0 HB THR A 93 7.296 3.069 9.492 1.00 14.31 H new ATOM 0 HG1 THR A 93 7.707 2.454 11.813 1.00 4.41 H new ATOM 0 HG21 THR A 93 8.386 0.943 10.111 1.00 72.01 H new ATOM 0 HG22 THR A 93 9.204 1.671 8.708 1.00 72.01 H new ATOM 0 HG23 THR A 93 9.938 1.787 10.325 1.00 72.01 H new ATOM 1594 N PRO A 94 10.518 4.168 7.623 1.00 14.14 N ATOM 1595 CA PRO A 94 10.850 4.209 6.209 1.00 74.20 C ATOM 1596 C PRO A 94 10.354 2.950 5.495 1.00 15.02 C ATOM 1597 O PRO A 94 10.382 1.858 6.061 1.00 45.33 O ATOM 1598 CB PRO A 94 12.361 4.362 6.164 1.00 44.34 C ATOM 1599 CG PRO A 94 12.864 3.936 7.533 1.00 22.42 C ATOM 1600 CD PRO A 94 11.671 3.878 8.472 1.00 54.04 C ATOM 0 HA PRO A 94 10.365 5.033 5.685 1.00 74.20 H new ATOM 0 HB2 PRO A 94 12.793 3.742 5.379 1.00 44.34 H new ATOM 0 HB3 PRO A 94 12.643 5.392 5.948 1.00 44.34 H new ATOM 0 HG2 PRO A 94 13.351 2.963 7.475 1.00 22.42 H new ATOM 0 HG3 PRO A 94 13.607 4.642 7.903 1.00 22.42 H new ATOM 0 HD2 PRO A 94 11.582 2.897 8.940 1.00 54.04 H new ATOM 0 HD3 PRO A 94 11.764 4.607 9.277 1.00 54.04 H new ATOM 1608 N ILE A 95 9.912 3.144 4.261 1.00 43.23 N ATOM 1609 CA ILE A 95 9.412 2.038 3.462 1.00 11.34 C ATOM 1610 C ILE A 95 10.364 0.848 3.593 1.00 4.52 C ATOM 1611 O ILE A 95 9.952 -0.301 3.448 1.00 11.01 O ATOM 1612 CB ILE A 95 9.178 2.483 2.017 1.00 53.24 C ATOM 1613 CG1 ILE A 95 7.969 1.766 1.412 1.00 71.40 C ATOM 1614 CG2 ILE A 95 10.439 2.291 1.174 1.00 74.51 C ATOM 1615 CD1 ILE A 95 6.887 2.765 1.002 1.00 23.35 C ATOM 0 H ILE A 95 9.890 4.051 3.795 1.00 43.23 H new ATOM 0 HA ILE A 95 8.440 1.711 3.831 1.00 11.34 H new ATOM 0 HB ILE A 95 8.952 3.549 2.020 1.00 53.24 H new ATOM 0 HG12 ILE A 95 8.282 1.187 0.543 1.00 71.40 H new ATOM 0 HG13 ILE A 95 7.561 1.060 2.135 1.00 71.40 H new ATOM 0 HG21 ILE A 95 10.246 2.615 0.151 1.00 74.51 H new ATOM 0 HG22 ILE A 95 11.252 2.883 1.595 1.00 74.51 H new ATOM 0 HG23 ILE A 95 10.720 1.238 1.174 1.00 74.51 H new ATOM 0 HD11 ILE A 95 6.039 2.229 0.575 1.00 23.35 H new ATOM 0 HD12 ILE A 95 6.558 3.325 1.877 1.00 23.35 H new ATOM 0 HD13 ILE A 95 7.291 3.455 0.261 1.00 23.35 H new ATOM 1627 N SER A 96 11.621 1.165 3.866 1.00 11.42 N ATOM 1628 CA SER A 96 12.636 0.136 4.017 1.00 51.52 C ATOM 1629 C SER A 96 12.307 -0.750 5.220 1.00 41.31 C ATOM 1630 O SER A 96 12.396 -1.974 5.138 1.00 24.42 O ATOM 1631 CB SER A 96 14.027 0.754 4.177 1.00 73.11 C ATOM 1632 OG SER A 96 14.981 -0.195 4.647 1.00 50.12 O ATOM 0 H SER A 96 11.960 2.120 3.987 1.00 11.42 H new ATOM 0 HA SER A 96 12.641 -0.475 3.114 1.00 51.52 H new ATOM 0 HB2 SER A 96 14.357 1.157 3.219 1.00 73.11 H new ATOM 0 HB3 SER A 96 13.974 1.591 4.874 1.00 73.11 H new ATOM 0 HG SER A 96 15.856 0.237 4.735 1.00 50.12 H new ATOM 1638 N GLU A 97 11.935 -0.097 6.312 1.00 73.25 N ATOM 1639 CA GLU A 97 11.592 -0.810 7.531 1.00 22.40 C ATOM 1640 C GLU A 97 10.145 -1.301 7.470 1.00 74.43 C ATOM 1641 O GLU A 97 9.871 -2.472 7.729 1.00 53.53 O ATOM 1642 CB GLU A 97 11.822 0.069 8.763 1.00 24.31 C ATOM 1643 CG GLU A 97 13.220 0.690 8.741 1.00 14.32 C ATOM 1644 CD GLU A 97 14.256 -0.270 9.327 1.00 13.10 C ATOM 1645 OE1 GLU A 97 15.462 -0.100 9.092 1.00 33.11 O ATOM 1646 OE2 GLU A 97 13.771 -1.220 10.052 1.00 21.14 O ATOM 0 H GLU A 97 11.864 0.918 6.378 1.00 73.25 H new ATOM 0 HA GLU A 97 12.246 -1.678 7.617 1.00 22.40 H new ATOM 0 HB2 GLU A 97 11.070 0.858 8.797 1.00 24.31 H new ATOM 0 HB3 GLU A 97 11.699 -0.527 9.667 1.00 24.31 H new ATOM 0 HG2 GLU A 97 13.493 0.944 7.717 1.00 14.32 H new ATOM 0 HG3 GLU A 97 13.218 1.620 9.310 1.00 14.32 H new ATOM 1654 N VAL A 98 9.256 -0.381 7.125 1.00 73.03 N ATOM 1655 CA VAL A 98 7.843 -0.706 7.027 1.00 14.31 C ATOM 1656 C VAL A 98 7.675 -1.988 6.208 1.00 14.23 C ATOM 1657 O VAL A 98 6.692 -2.708 6.372 1.00 62.31 O ATOM 1658 CB VAL A 98 7.073 0.481 6.445 1.00 13.13 C ATOM 1659 CG1 VAL A 98 5.689 0.049 5.955 1.00 53.03 C ATOM 1660 CG2 VAL A 98 6.964 1.617 7.463 1.00 53.40 C ATOM 0 H VAL A 98 9.487 0.589 6.910 1.00 73.03 H new ATOM 0 HA VAL A 98 7.424 -0.895 8.016 1.00 14.31 H new ATOM 0 HB VAL A 98 7.632 0.854 5.586 1.00 13.13 H new ATOM 0 HG11 VAL A 98 5.162 0.911 5.546 1.00 53.03 H new ATOM 0 HG12 VAL A 98 5.798 -0.710 5.181 1.00 53.03 H new ATOM 0 HG13 VAL A 98 5.120 -0.362 6.789 1.00 53.03 H new ATOM 0 HG21 VAL A 98 6.412 2.448 7.023 1.00 53.40 H new ATOM 0 HG22 VAL A 98 6.439 1.262 8.350 1.00 53.40 H new ATOM 0 HG23 VAL A 98 7.963 1.952 7.742 1.00 53.40 H new ATOM 1670 N TYR A 99 8.649 -2.233 5.345 1.00 23.41 N ATOM 1671 CA TYR A 99 8.622 -3.414 4.500 1.00 72.23 C ATOM 1672 C TYR A 99 9.080 -4.652 5.273 1.00 41.42 C ATOM 1673 O TYR A 99 8.412 -5.684 5.256 1.00 44.51 O ATOM 1674 CB TYR A 99 9.608 -3.143 3.362 1.00 73.42 C ATOM 1675 CG TYR A 99 9.945 -4.378 2.524 1.00 71.20 C ATOM 1676 CD1 TYR A 99 9.137 -4.734 1.464 1.00 72.44 C ATOM 1677 CD2 TYR A 99 11.059 -5.135 2.827 1.00 10.12 C ATOM 1678 CE1 TYR A 99 9.454 -5.896 0.674 1.00 65.15 C ATOM 1679 CE2 TYR A 99 11.376 -6.297 2.038 1.00 13.41 C ATOM 1680 CZ TYR A 99 10.558 -6.620 1.001 1.00 12.34 C ATOM 1681 OH TYR A 99 10.858 -7.717 0.255 1.00 34.03 O ATOM 0 H TYR A 99 9.463 -1.633 5.213 1.00 23.41 H new ATOM 0 HA TYR A 99 7.611 -3.604 4.139 1.00 72.23 H new ATOM 0 HB2 TYR A 99 9.192 -2.376 2.709 1.00 73.42 H new ATOM 0 HB3 TYR A 99 10.529 -2.739 3.782 1.00 73.42 H new ATOM 0 HD1 TYR A 99 8.266 -4.141 1.226 1.00 72.44 H new ATOM 0 HD2 TYR A 99 11.693 -4.856 3.656 1.00 10.12 H new ATOM 0 HE1 TYR A 99 8.830 -6.186 -0.158 1.00 65.15 H new ATOM 0 HE2 TYR A 99 12.244 -6.898 2.265 1.00 13.41 H new ATOM 0 HH TYR A 99 10.033 -8.194 0.029 1.00 34.03 H new ATOM 1691 N GLU A 100 10.220 -4.508 5.935 1.00 24.12 N ATOM 1692 CA GLU A 100 10.777 -5.601 6.713 1.00 10.14 C ATOM 1693 C GLU A 100 10.055 -5.718 8.057 1.00 24.24 C ATOM 1694 O GLU A 100 10.335 -6.624 8.840 1.00 64.34 O ATOM 1695 CB GLU A 100 12.282 -5.420 6.914 1.00 52.12 C ATOM 1696 CG GLU A 100 12.592 -4.058 7.538 1.00 41.55 C ATOM 1697 CD GLU A 100 13.694 -4.176 8.593 1.00 3.21 C ATOM 1698 OE1 GLU A 100 14.777 -3.596 8.426 1.00 23.53 O ATOM 1699 OE2 GLU A 100 13.393 -4.900 9.618 1.00 74.24 O ATOM 0 H GLU A 100 10.772 -3.651 5.948 1.00 24.12 H new ATOM 0 HA GLU A 100 10.627 -6.528 6.160 1.00 10.14 H new ATOM 0 HB2 GLU A 100 12.665 -6.214 7.556 1.00 52.12 H new ATOM 0 HB3 GLU A 100 12.794 -5.510 5.956 1.00 52.12 H new ATOM 0 HG2 GLU A 100 12.901 -3.360 6.760 1.00 41.55 H new ATOM 0 HG3 GLU A 100 11.690 -3.649 7.993 1.00 41.55 H new ATOM 1707 N SER A 101 9.137 -4.789 8.282 1.00 23.43 N ATOM 1708 CA SER A 101 8.372 -4.777 9.517 1.00 33.22 C ATOM 1709 C SER A 101 6.904 -5.092 9.227 1.00 63.15 C ATOM 1710 O SER A 101 6.065 -5.048 10.126 1.00 0.10 O ATOM 1711 CB SER A 101 8.494 -3.427 10.227 1.00 23.11 C ATOM 1712 OG SER A 101 9.683 -3.339 11.007 1.00 11.13 O ATOM 0 H SER A 101 8.906 -4.040 7.630 1.00 23.43 H new ATOM 0 HA SER A 101 8.778 -5.543 10.177 1.00 33.22 H new ATOM 0 HB2 SER A 101 8.486 -2.626 9.487 1.00 23.11 H new ATOM 0 HB3 SER A 101 7.627 -3.276 10.870 1.00 23.11 H new ATOM 0 HG SER A 101 9.724 -2.462 11.442 1.00 11.13 H new ATOM 1718 N GLU A 102 6.638 -5.406 7.968 1.00 74.03 N ATOM 1719 CA GLU A 102 5.285 -5.730 7.546 1.00 73.55 C ATOM 1720 C GLU A 102 5.297 -6.925 6.591 1.00 44.54 C ATOM 1721 O GLU A 102 4.576 -7.899 6.799 1.00 34.43 O ATOM 1722 CB GLU A 102 4.606 -4.520 6.902 1.00 0.30 C ATOM 1723 CG GLU A 102 4.635 -3.311 7.839 1.00 75.10 C ATOM 1724 CD GLU A 102 3.473 -3.360 8.834 1.00 24.40 C ATOM 1725 OE1 GLU A 102 2.324 -3.087 8.458 1.00 30.04 O ATOM 1726 OE2 GLU A 102 3.799 -3.698 10.036 1.00 73.01 O ATOM 0 H GLU A 102 7.336 -5.443 7.226 1.00 74.03 H new ATOM 0 HA GLU A 102 4.707 -6.002 8.429 1.00 73.55 H new ATOM 0 HB2 GLU A 102 5.108 -4.272 5.967 1.00 0.30 H new ATOM 0 HB3 GLU A 102 3.574 -4.767 6.654 1.00 0.30 H new ATOM 0 HG2 GLU A 102 5.581 -3.288 8.380 1.00 75.10 H new ATOM 0 HG3 GLU A 102 4.580 -2.392 7.255 1.00 75.10 H new ATOM 1734 N ARG A 103 6.126 -6.810 5.563 1.00 73.01 N ATOM 1735 CA ARG A 103 6.242 -7.869 4.575 1.00 11.32 C ATOM 1736 C ARG A 103 6.077 -9.238 5.240 1.00 10.30 C ATOM 1737 O ARG A 103 6.397 -9.402 6.417 1.00 22.34 O ATOM 1738 CB ARG A 103 7.597 -7.815 3.866 1.00 73.24 C ATOM 1739 CG ARG A 103 8.729 -8.217 4.814 1.00 1.11 C ATOM 1740 CD ARG A 103 9.053 -9.707 4.679 1.00 64.23 C ATOM 1741 NE ARG A 103 10.356 -10.000 5.316 1.00 73.51 N ATOM 1742 CZ ARG A 103 10.785 -11.243 5.624 1.00 54.13 C ATOM 1743 NH1 ARG A 103 10.017 -12.319 5.354 1.00 40.42 N ATOM 1744 NH2 ARG A 103 11.968 -11.389 6.191 1.00 53.31 N ATOM 0 H ARG A 103 6.723 -6.000 5.393 1.00 73.01 H new ATOM 0 HA ARG A 103 5.452 -7.722 3.838 1.00 11.32 H new ATOM 0 HB2 ARG A 103 7.587 -8.481 3.003 1.00 73.24 H new ATOM 0 HB3 ARG A 103 7.774 -6.808 3.489 1.00 73.24 H new ATOM 0 HG2 ARG A 103 9.619 -7.626 4.595 1.00 1.11 H new ATOM 0 HG3 ARG A 103 8.444 -7.995 5.842 1.00 1.11 H new ATOM 0 HD2 ARG A 103 8.268 -10.302 5.146 1.00 64.23 H new ATOM 0 HD3 ARG A 103 9.082 -9.988 3.626 1.00 64.23 H new ATOM 0 HE ARG A 103 10.968 -9.214 5.536 1.00 73.51 H new ATOM 0 HH11 ARG A 103 9.105 -12.197 4.914 1.00 40.42 H new ATOM 0 HH12 ARG A 103 10.349 -13.254 5.590 1.00 40.42 H new ATOM 0 HH21 ARG A 103 12.543 -10.570 6.390 1.00 53.31 H new ATOM 0 HH22 ARG A 103 12.307 -12.321 6.430 1.00 53.31 H new ATOM 1757 N ASP A 104 5.577 -10.184 4.459 1.00 3.22 N ATOM 1758 CA ASP A 104 5.366 -11.532 4.958 1.00 24.23 C ATOM 1759 C ASP A 104 6.252 -12.505 4.177 1.00 52.11 C ATOM 1760 O ASP A 104 7.064 -12.086 3.353 1.00 14.33 O ATOM 1761 CB ASP A 104 3.911 -11.965 4.773 1.00 21.34 C ATOM 1762 CG ASP A 104 3.001 -11.703 5.976 1.00 33.24 C ATOM 1763 OD1 ASP A 104 2.940 -12.508 6.917 1.00 13.53 O ATOM 1764 OD2 ASP A 104 2.327 -10.605 5.920 1.00 12.42 O ATOM 0 H ASP A 104 5.312 -10.044 3.484 1.00 3.22 H new ATOM 0 HA ASP A 104 5.613 -11.542 6.020 1.00 24.23 H new ATOM 0 HB2 ASP A 104 3.501 -11.447 3.906 1.00 21.34 H new ATOM 0 HB3 ASP A 104 3.891 -13.031 4.546 1.00 21.34 H new ATOM 1770 N GLU A 105 6.066 -13.785 4.463 1.00 4.45 N ATOM 1771 CA GLU A 105 6.838 -14.820 3.798 1.00 23.41 C ATOM 1772 C GLU A 105 7.073 -14.448 2.333 1.00 43.50 C ATOM 1773 O GLU A 105 8.214 -14.380 1.881 1.00 71.12 O ATOM 1774 CB GLU A 105 6.147 -16.180 3.914 1.00 74.25 C ATOM 1775 CG GLU A 105 6.031 -16.613 5.377 1.00 61.33 C ATOM 1776 CD GLU A 105 5.874 -18.131 5.489 1.00 54.43 C ATOM 1777 OE1 GLU A 105 6.776 -18.878 5.082 1.00 41.24 O ATOM 1778 OE2 GLU A 105 4.768 -18.527 6.023 1.00 31.11 O ATOM 0 H GLU A 105 5.392 -14.129 5.147 1.00 4.45 H new ATOM 0 HA GLU A 105 7.806 -14.898 4.293 1.00 23.41 H new ATOM 0 HB2 GLU A 105 5.154 -16.127 3.467 1.00 74.25 H new ATOM 0 HB3 GLU A 105 6.709 -16.927 3.353 1.00 74.25 H new ATOM 0 HG2 GLU A 105 6.917 -16.294 5.926 1.00 61.33 H new ATOM 0 HG3 GLU A 105 5.176 -16.120 5.839 1.00 61.33 H new ATOM 1786 N ASP A 106 5.973 -14.219 1.629 1.00 14.21 N ATOM 1787 CA ASP A 106 6.045 -13.856 0.225 1.00 71.01 C ATOM 1788 C ASP A 106 7.131 -12.796 0.031 1.00 12.41 C ATOM 1789 O ASP A 106 7.975 -12.921 -0.855 1.00 41.35 O ATOM 1790 CB ASP A 106 4.719 -13.267 -0.260 1.00 4.22 C ATOM 1791 CG ASP A 106 3.990 -12.388 0.758 1.00 72.31 C ATOM 1792 OD1 ASP A 106 2.879 -12.712 1.203 1.00 41.53 O ATOM 1793 OD2 ASP A 106 4.618 -11.313 1.099 1.00 55.23 O ATOM 0 H ASP A 106 5.027 -14.278 2.006 1.00 14.21 H new ATOM 0 HA ASP A 106 6.270 -14.758 -0.345 1.00 71.01 H new ATOM 0 HB2 ASP A 106 4.907 -12.677 -1.157 1.00 4.22 H new ATOM 0 HB3 ASP A 106 4.059 -14.085 -0.549 1.00 4.22 H new ATOM 1799 N GLY A 107 7.075 -11.775 0.875 1.00 33.44 N ATOM 1800 CA GLY A 107 8.043 -10.695 0.807 1.00 23.13 C ATOM 1801 C GLY A 107 7.436 -9.454 0.149 1.00 31.21 C ATOM 1802 O GLY A 107 8.105 -8.432 0.008 1.00 13.31 O ATOM 0 H GLY A 107 6.374 -11.674 1.609 1.00 33.44 H new ATOM 0 HA2 GLY A 107 8.387 -10.447 1.811 1.00 23.13 H new ATOM 0 HA3 GLY A 107 8.917 -11.020 0.242 1.00 23.13 H new ATOM 1806 N PHE A 108 6.174 -9.586 -0.236 1.00 52.33 N ATOM 1807 CA PHE A 108 5.470 -8.488 -0.877 1.00 14.14 C ATOM 1808 C PHE A 108 4.630 -7.710 0.139 1.00 21.33 C ATOM 1809 O PHE A 108 3.942 -8.304 0.967 1.00 22.32 O ATOM 1810 CB PHE A 108 4.540 -9.104 -1.923 1.00 51.42 C ATOM 1811 CG PHE A 108 4.601 -8.419 -3.290 1.00 70.41 C ATOM 1812 CD1 PHE A 108 4.942 -7.105 -3.377 1.00 32.51 C ATOM 1813 CD2 PHE A 108 4.316 -9.123 -4.417 1.00 14.11 C ATOM 1814 CE1 PHE A 108 4.998 -6.468 -4.645 1.00 73.31 C ATOM 1815 CE2 PHE A 108 4.372 -8.487 -5.686 1.00 54.21 C ATOM 1816 CZ PHE A 108 4.713 -7.173 -5.773 1.00 4.21 C ATOM 0 H PHE A 108 5.622 -10.435 -0.116 1.00 52.33 H new ATOM 0 HA PHE A 108 6.185 -7.797 -1.324 1.00 14.14 H new ATOM 0 HB2 PHE A 108 4.793 -10.157 -2.044 1.00 51.42 H new ATOM 0 HB3 PHE A 108 3.516 -9.063 -1.553 1.00 51.42 H new ATOM 0 HD1 PHE A 108 5.170 -6.546 -2.482 1.00 32.51 H new ATOM 0 HD2 PHE A 108 4.047 -10.167 -4.348 1.00 14.11 H new ATOM 0 HE1 PHE A 108 5.267 -5.424 -4.714 1.00 73.31 H new ATOM 0 HE2 PHE A 108 4.144 -9.046 -6.581 1.00 54.21 H new ATOM 0 HZ PHE A 108 4.757 -6.689 -6.738 1.00 4.21 H new ATOM 1826 N LEU A 109 4.715 -6.391 0.041 1.00 21.41 N ATOM 1827 CA LEU A 109 3.972 -5.524 0.941 1.00 35.21 C ATOM 1828 C LEU A 109 2.513 -5.455 0.484 1.00 20.13 C ATOM 1829 O LEU A 109 2.237 -5.318 -0.706 1.00 53.12 O ATOM 1830 CB LEU A 109 4.649 -4.157 1.048 1.00 71.00 C ATOM 1831 CG LEU A 109 5.475 -3.915 2.312 1.00 51.53 C ATOM 1832 CD1 LEU A 109 4.607 -3.342 3.434 1.00 10.31 C ATOM 1833 CD2 LEU A 109 6.201 -5.191 2.745 1.00 53.35 C ATOM 0 H LEU A 109 5.287 -5.902 -0.648 1.00 21.41 H new ATOM 0 HA LEU A 109 3.971 -5.933 1.952 1.00 35.21 H new ATOM 0 HB2 LEU A 109 5.299 -4.027 0.183 1.00 71.00 H new ATOM 0 HB3 LEU A 109 3.880 -3.387 0.988 1.00 71.00 H new ATOM 0 HG LEU A 109 6.238 -3.171 2.083 1.00 51.53 H new ATOM 0 HD11 LEU A 109 5.219 -3.180 4.321 1.00 10.31 H new ATOM 0 HD12 LEU A 109 4.176 -2.394 3.112 1.00 10.31 H new ATOM 0 HD13 LEU A 109 3.807 -4.044 3.669 1.00 10.31 H new ATOM 0 HD21 LEU A 109 6.781 -4.992 3.646 1.00 53.35 H new ATOM 0 HD22 LEU A 109 5.470 -5.974 2.950 1.00 53.35 H new ATOM 0 HD23 LEU A 109 6.869 -5.518 1.948 1.00 53.35 H new ATOM 1845 N TYR A 110 1.617 -5.552 1.457 1.00 30.44 N ATOM 1846 CA TYR A 110 0.193 -5.501 1.170 1.00 32.34 C ATOM 1847 C TYR A 110 -0.476 -4.348 1.920 1.00 41.52 C ATOM 1848 O TYR A 110 -0.543 -4.357 3.148 1.00 5.21 O ATOM 1849 CB TYR A 110 -0.385 -6.826 1.673 1.00 11.21 C ATOM 1850 CG TYR A 110 0.261 -8.063 1.047 1.00 75.11 C ATOM 1851 CD1 TYR A 110 -0.016 -8.399 -0.263 1.00 40.13 C ATOM 1852 CD2 TYR A 110 1.119 -8.846 1.793 1.00 65.35 C ATOM 1853 CE1 TYR A 110 0.590 -9.565 -0.850 1.00 12.12 C ATOM 1854 CE2 TYR A 110 1.726 -10.011 1.204 1.00 23.30 C ATOM 1855 CZ TYR A 110 1.432 -10.314 -0.089 1.00 64.21 C ATOM 1856 OH TYR A 110 2.005 -11.414 -0.644 1.00 75.44 O ATOM 0 H TYR A 110 1.850 -5.665 2.444 1.00 30.44 H new ATOM 0 HA TYR A 110 0.020 -5.347 0.105 1.00 32.34 H new ATOM 0 HB2 TYR A 110 -0.266 -6.875 2.755 1.00 11.21 H new ATOM 0 HB3 TYR A 110 -1.455 -6.845 1.469 1.00 11.21 H new ATOM 0 HD1 TYR A 110 -0.687 -7.787 -0.847 1.00 40.13 H new ATOM 0 HD2 TYR A 110 1.335 -8.585 2.818 1.00 65.35 H new ATOM 0 HE1 TYR A 110 0.380 -9.839 -1.873 1.00 12.12 H new ATOM 0 HE2 TYR A 110 2.400 -10.631 1.776 1.00 23.30 H new ATOM 0 HH TYR A 110 1.807 -12.199 -0.092 1.00 75.44 H new ATOM 1866 N MET A 111 -0.956 -3.383 1.150 1.00 11.54 N ATOM 1867 CA MET A 111 -1.618 -2.225 1.726 1.00 54.55 C ATOM 1868 C MET A 111 -2.883 -1.870 0.942 1.00 15.42 C ATOM 1869 O MET A 111 -2.910 -1.980 -0.283 1.00 64.01 O ATOM 1870 CB MET A 111 -0.660 -1.031 1.717 1.00 60.14 C ATOM 1871 CG MET A 111 0.773 -1.477 2.011 1.00 4.13 C ATOM 1872 SD MET A 111 1.820 -0.050 2.247 1.00 11.21 S ATOM 1873 CE MET A 111 3.157 -0.459 1.136 1.00 41.54 C ATOM 0 H MET A 111 -0.900 -3.379 0.132 1.00 11.54 H new ATOM 0 HA MET A 111 -1.903 -2.466 2.750 1.00 54.55 H new ATOM 0 HB2 MET A 111 -0.699 -0.536 0.747 1.00 60.14 H new ATOM 0 HB3 MET A 111 -0.977 -0.300 2.461 1.00 60.14 H new ATOM 0 HG2 MET A 111 0.792 -2.104 2.903 1.00 4.13 H new ATOM 0 HG3 MET A 111 1.150 -2.083 1.187 1.00 4.13 H new ATOM 0 HE1 MET A 111 3.996 0.213 1.314 1.00 41.54 H new ATOM 0 HE2 MET A 111 3.473 -1.488 1.310 1.00 41.54 H new ATOM 0 HE3 MET A 111 2.819 -0.353 0.105 1.00 41.54 H new ATOM 1883 N VAL A 112 -3.901 -1.452 1.681 1.00 22.04 N ATOM 1884 CA VAL A 112 -5.165 -1.080 1.070 1.00 51.41 C ATOM 1885 C VAL A 112 -5.360 0.433 1.189 1.00 34.21 C ATOM 1886 O VAL A 112 -5.022 1.027 2.211 1.00 73.33 O ATOM 1887 CB VAL A 112 -6.306 -1.881 1.702 1.00 73.25 C ATOM 1888 CG1 VAL A 112 -7.653 -1.190 1.474 1.00 50.42 C ATOM 1889 CG2 VAL A 112 -6.328 -3.316 1.171 1.00 14.04 C ATOM 0 H VAL A 112 -3.875 -1.363 2.697 1.00 22.04 H new ATOM 0 HA VAL A 112 -5.162 -1.324 0.008 1.00 51.41 H new ATOM 0 HB VAL A 112 -6.130 -1.925 2.777 1.00 73.25 H new ATOM 0 HG11 VAL A 112 -8.447 -1.780 1.933 1.00 50.42 H new ATOM 0 HG12 VAL A 112 -7.633 -0.197 1.923 1.00 50.42 H new ATOM 0 HG13 VAL A 112 -7.840 -1.101 0.404 1.00 50.42 H new ATOM 0 HG21 VAL A 112 -7.148 -3.863 1.636 1.00 14.04 H new ATOM 0 HG22 VAL A 112 -6.468 -3.302 0.090 1.00 14.04 H new ATOM 0 HG23 VAL A 112 -5.384 -3.806 1.408 1.00 14.04 H new ATOM 1899 N TYR A 113 -5.904 1.012 0.129 1.00 40.11 N ATOM 1900 CA TYR A 113 -6.147 2.445 0.102 1.00 64.13 C ATOM 1901 C TYR A 113 -7.639 2.745 -0.063 1.00 45.34 C ATOM 1902 O TYR A 113 -8.377 1.943 -0.634 1.00 34.33 O ATOM 1903 CB TYR A 113 -5.394 2.977 -1.119 1.00 30.31 C ATOM 1904 CG TYR A 113 -6.174 2.863 -2.430 1.00 22.44 C ATOM 1905 CD1 TYR A 113 -7.086 3.840 -2.778 1.00 33.02 C ATOM 1906 CD2 TYR A 113 -5.968 1.784 -3.265 1.00 73.00 C ATOM 1907 CE1 TYR A 113 -7.821 3.732 -4.011 1.00 63.43 C ATOM 1908 CE2 TYR A 113 -6.703 1.677 -4.499 1.00 24.44 C ATOM 1909 CZ TYR A 113 -7.593 2.657 -4.811 1.00 23.23 C ATOM 1910 OH TYR A 113 -8.286 2.555 -5.976 1.00 43.21 O ATOM 0 H TYR A 113 -6.183 0.516 -0.717 1.00 40.11 H new ATOM 0 HA TYR A 113 -5.817 2.908 1.032 1.00 64.13 H new ATOM 0 HB2 TYR A 113 -5.140 4.023 -0.949 1.00 30.31 H new ATOM 0 HB3 TYR A 113 -4.454 2.433 -1.219 1.00 30.31 H new ATOM 0 HD1 TYR A 113 -7.248 4.685 -2.125 1.00 33.02 H new ATOM 0 HD2 TYR A 113 -5.255 1.019 -2.993 1.00 73.00 H new ATOM 0 HE1 TYR A 113 -8.538 4.489 -4.294 1.00 63.43 H new ATOM 0 HE2 TYR A 113 -6.551 0.838 -5.161 1.00 24.44 H new ATOM 0 HH TYR A 113 -8.495 3.452 -6.312 1.00 43.21 H new ATOM 1920 N ALA A 114 -8.036 3.901 0.447 1.00 13.04 N ATOM 1921 CA ALA A 114 -9.426 4.317 0.363 1.00 1.44 C ATOM 1922 C ALA A 114 -9.556 5.753 0.873 1.00 2.12 C ATOM 1923 O ALA A 114 -8.572 6.356 1.298 1.00 24.00 O ATOM 1924 CB ALA A 114 -10.300 3.338 1.150 1.00 12.02 C ATOM 0 H ALA A 114 -7.420 4.563 0.920 1.00 13.04 H new ATOM 0 HA ALA A 114 -9.769 4.302 -0.672 1.00 1.44 H new ATOM 0 HB1 ALA A 114 -11.343 3.650 1.087 1.00 12.02 H new ATOM 0 HB2 ALA A 114 -10.194 2.338 0.730 1.00 12.02 H new ATOM 0 HB3 ALA A 114 -9.986 3.328 2.194 1.00 12.02 H new ATOM 1930 N SER A 115 -10.778 6.260 0.814 1.00 54.31 N ATOM 1931 CA SER A 115 -11.049 7.616 1.264 1.00 61.52 C ATOM 1932 C SER A 115 -11.431 7.607 2.745 1.00 53.55 C ATOM 1933 O SER A 115 -12.201 8.454 3.196 1.00 63.34 O ATOM 1934 CB SER A 115 -12.161 8.260 0.434 1.00 1.23 C ATOM 1935 OG SER A 115 -12.652 9.455 1.034 1.00 60.44 O ATOM 0 H SER A 115 -11.592 5.757 0.462 1.00 54.31 H new ATOM 0 HA SER A 115 -10.144 8.209 1.131 1.00 61.52 H new ATOM 0 HB2 SER A 115 -11.785 8.484 -0.564 1.00 1.23 H new ATOM 0 HB3 SER A 115 -12.981 7.551 0.314 1.00 1.23 H new ATOM 0 HG SER A 115 -12.861 9.286 1.976 1.00 60.44 H new ATOM 1941 N GLN A 116 -10.873 6.642 3.462 1.00 43.31 N ATOM 1942 CA GLN A 116 -11.146 6.512 4.883 1.00 53.23 C ATOM 1943 C GLN A 116 -9.939 5.905 5.602 1.00 50.42 C ATOM 1944 O GLN A 116 -9.409 4.880 5.174 1.00 70.45 O ATOM 1945 CB GLN A 116 -12.406 5.679 5.127 1.00 2.11 C ATOM 1946 CG GLN A 116 -12.073 4.187 5.188 1.00 21.34 C ATOM 1947 CD GLN A 116 -13.343 3.339 5.110 1.00 22.22 C ATOM 1948 OE1 GLN A 116 -13.409 2.334 4.421 1.00 62.34 O ATOM 1949 NE2 GLN A 116 -14.347 3.797 5.853 1.00 55.11 N ATOM 0 H GLN A 116 -10.233 5.943 3.085 1.00 43.31 H new ATOM 0 HA GLN A 116 -11.325 7.507 5.291 1.00 53.23 H new ATOM 0 HB2 GLN A 116 -12.876 5.989 6.060 1.00 2.11 H new ATOM 0 HB3 GLN A 116 -13.127 5.862 4.331 1.00 2.11 H new ATOM 0 HG2 GLN A 116 -11.406 3.926 4.367 1.00 21.34 H new ATOM 0 HG3 GLN A 116 -11.541 3.967 6.113 1.00 21.34 H new ATOM 0 HE21 GLN A 116 -14.226 4.645 6.407 1.00 55.11 H new ATOM 0 HE22 GLN A 116 -15.238 3.300 5.869 1.00 55.11 H new ATOM 1958 N GLU A 117 -9.541 6.562 6.680 1.00 13.30 N ATOM 1959 CA GLU A 117 -8.406 6.099 7.462 1.00 34.21 C ATOM 1960 C GLU A 117 -8.873 5.607 8.834 1.00 42.32 C ATOM 1961 O GLU A 117 -8.110 4.972 9.561 1.00 54.41 O ATOM 1962 CB GLU A 117 -7.352 7.200 7.604 1.00 4.33 C ATOM 1963 CG GLU A 117 -6.612 7.081 8.937 1.00 44.23 C ATOM 1964 CD GLU A 117 -5.423 8.043 8.991 1.00 34.21 C ATOM 1965 OE1 GLU A 117 -4.377 7.770 8.385 1.00 13.12 O ATOM 1966 OE2 GLU A 117 -5.615 9.108 9.693 1.00 14.44 O ATOM 0 H GLU A 117 -9.983 7.411 7.031 1.00 13.30 H new ATOM 0 HA GLU A 117 -7.943 5.264 6.936 1.00 34.21 H new ATOM 0 HB2 GLU A 117 -6.640 7.135 6.781 1.00 4.33 H new ATOM 0 HB3 GLU A 117 -7.830 8.177 7.535 1.00 4.33 H new ATOM 0 HG2 GLU A 117 -7.296 7.296 9.758 1.00 44.23 H new ATOM 0 HG3 GLU A 117 -6.263 6.057 9.073 1.00 44.23 H new ATOM 1974 N THR A 118 -10.122 5.918 9.146 1.00 32.30 N ATOM 1975 CA THR A 118 -10.699 5.515 10.417 1.00 34.24 C ATOM 1976 C THR A 118 -12.049 4.831 10.197 1.00 33.31 C ATOM 1977 O THR A 118 -13.097 5.464 10.324 1.00 43.32 O ATOM 1978 CB THR A 118 -10.783 6.754 11.311 1.00 61.45 C ATOM 1979 OG1 THR A 118 -11.465 7.715 10.510 1.00 2.53 O ATOM 1980 CG2 THR A 118 -9.413 7.386 11.567 1.00 11.22 C ATOM 0 H THR A 118 -10.751 6.445 8.540 1.00 32.30 H new ATOM 0 HA THR A 118 -10.075 4.776 10.919 1.00 34.24 H new ATOM 0 HB THR A 118 -11.241 6.484 12.262 1.00 61.45 H new ATOM 0 HG1 THR A 118 -12.325 7.347 10.219 1.00 2.53 H new ATOM 0 HG21 THR A 118 -9.530 8.261 12.206 1.00 11.22 H new ATOM 0 HG22 THR A 118 -8.764 6.661 12.059 1.00 11.22 H new ATOM 0 HG23 THR A 118 -8.968 7.687 10.618 1.00 11.22 H new ATOM 2085 N ASP B 337 8.549 -6.207 -14.424 1.00 34.41 N ATOM 2086 CA ASP B 337 8.850 -4.869 -13.943 1.00 41.12 C ATOM 2087 C ASP B 337 7.543 -4.151 -13.598 1.00 44.23 C ATOM 2088 O ASP B 337 6.623 -4.103 -14.413 1.00 22.34 O ATOM 2089 CB ASP B 337 9.572 -4.049 -15.012 1.00 74.41 C ATOM 2090 CG ASP B 337 9.109 -2.595 -15.135 1.00 74.24 C ATOM 2091 OD1 ASP B 337 9.607 -1.704 -14.430 1.00 11.21 O ATOM 2092 OD2 ASP B 337 8.184 -2.390 -16.010 1.00 24.22 O ATOM 0 HA ASP B 337 9.491 -4.961 -13.066 1.00 41.12 H new ATOM 0 HB2 ASP B 337 10.640 -4.057 -14.795 1.00 74.41 H new ATOM 0 HB3 ASP B 337 9.439 -4.540 -15.976 1.00 74.41 H new ATOM 2098 N TRP B 338 7.504 -3.609 -12.389 1.00 31.21 N ATOM 2099 CA TRP B 338 6.326 -2.896 -11.927 1.00 33.50 C ATOM 2100 C TRP B 338 6.536 -1.406 -12.204 1.00 43.13 C ATOM 2101 O TRP B 338 7.285 -1.039 -13.108 1.00 24.04 O ATOM 2102 CB TRP B 338 6.048 -3.195 -10.452 1.00 13.13 C ATOM 2103 CG TRP B 338 6.420 -4.617 -10.024 1.00 73.14 C ATOM 2104 CD1 TRP B 338 6.573 -5.698 -10.801 1.00 63.32 C ATOM 2105 CD2 TRP B 338 6.683 -5.069 -8.679 1.00 60.44 C ATOM 2106 NE1 TRP B 338 6.913 -6.810 -10.058 1.00 24.21 N ATOM 2107 CE2 TRP B 338 6.982 -6.415 -8.726 1.00 21.50 C ATOM 2108 CE3 TRP B 338 6.668 -4.363 -7.463 1.00 41.01 C ATOM 2109 CZ2 TRP B 338 7.289 -7.172 -7.589 1.00 13.12 C ATOM 2110 CZ3 TRP B 338 6.976 -5.135 -6.336 1.00 42.51 C ATOM 2111 CH2 TRP B 338 7.280 -6.491 -6.367 1.00 22.23 C ATOM 0 H TRP B 338 8.269 -3.650 -11.716 1.00 31.21 H new ATOM 0 HA TRP B 338 5.438 -3.229 -12.465 1.00 33.50 H new ATOM 0 HB2 TRP B 338 6.602 -2.485 -9.837 1.00 13.13 H new ATOM 0 HB3 TRP B 338 4.989 -3.032 -10.252 1.00 13.13 H new ATOM 0 HD1 TRP B 338 6.446 -5.699 -11.874 1.00 63.32 H new ATOM 0 HE1 TRP B 338 7.083 -7.749 -10.419 1.00 24.21 H new ATOM 0 HE3 TRP B 338 6.437 -3.310 -7.403 1.00 41.01 H new ATOM 0 HZ2 TRP B 338 7.520 -8.225 -7.652 1.00 13.12 H new ATOM 0 HZ3 TRP B 338 6.977 -4.642 -5.375 1.00 42.51 H new ATOM 0 HH2 TRP B 338 7.508 -7.017 -5.452 1.00 22.23 H new ATOM 2122 N THR B 339 5.861 -0.588 -11.411 1.00 11.15 N ATOM 2123 CA THR B 339 5.964 0.854 -11.560 1.00 63.24 C ATOM 2124 C THR B 339 7.104 1.399 -10.698 1.00 75.25 C ATOM 2125 O THR B 339 7.382 0.869 -9.623 1.00 55.55 O ATOM 2126 CB THR B 339 4.601 1.462 -11.223 1.00 43.14 C ATOM 2127 OG1 THR B 339 4.728 2.829 -11.604 1.00 20.42 O ATOM 2128 CG2 THR B 339 4.343 1.519 -9.716 1.00 73.05 C ATOM 0 H THR B 339 5.240 -0.896 -10.663 1.00 11.15 H new ATOM 0 HA THR B 339 6.214 1.130 -12.584 1.00 63.24 H new ATOM 0 HB THR B 339 3.815 0.881 -11.705 1.00 43.14 H new ATOM 0 HG1 THR B 339 4.154 3.382 -11.034 1.00 20.42 H new ATOM 0 HG21 THR B 339 3.363 1.959 -9.531 1.00 73.05 H new ATOM 0 HG22 THR B 339 4.372 0.510 -9.303 1.00 73.05 H new ATOM 0 HG23 THR B 339 5.110 2.129 -9.238 1.00 73.05 H new ATOM 2136 N HIS B 340 7.732 2.452 -11.200 1.00 23.10 N ATOM 2137 CA HIS B 340 8.836 3.075 -10.489 1.00 53.35 C ATOM 2138 C HIS B 340 8.382 4.419 -9.915 1.00 55.35 C ATOM 2139 O HIS B 340 8.064 5.341 -10.664 1.00 75.31 O ATOM 2140 CB HIS B 340 10.064 3.199 -11.394 1.00 52.13 C ATOM 2141 CG HIS B 340 9.741 3.212 -12.869 1.00 4.34 C ATOM 2142 ND1 HIS B 340 10.070 2.170 -13.717 1.00 2.03 N ATOM 2143 CD2 HIS B 340 9.115 4.151 -13.636 1.00 35.32 C ATOM 2144 CE1 HIS B 340 9.658 2.478 -14.937 1.00 52.42 C ATOM 2145 NE2 HIS B 340 9.066 3.706 -14.885 1.00 32.50 N ATOM 0 H HIS B 340 7.497 2.890 -12.091 1.00 23.10 H new ATOM 0 HA HIS B 340 9.137 2.445 -9.652 1.00 53.35 H new ATOM 0 HB2 HIS B 340 10.598 4.115 -11.141 1.00 52.13 H new ATOM 0 HB3 HIS B 340 10.740 2.369 -11.188 1.00 52.13 H new ATOM 0 HD2 HIS B 340 8.726 5.096 -13.286 1.00 35.32 H new ATOM 0 HE1 HIS B 340 9.771 1.865 -15.819 1.00 52.42 H new ATOM 0 HE2 HIS B 340 8.654 4.201 -15.676 1.00 32.50 H new ATOM 2153 N LEU B 341 8.368 4.486 -8.592 1.00 42.45 N ATOM 2154 CA LEU B 341 7.960 5.702 -7.910 1.00 42.21 C ATOM 2155 C LEU B 341 9.109 6.711 -7.942 1.00 60.12 C ATOM 2156 O LEU B 341 10.148 6.495 -7.320 1.00 1.40 O ATOM 2157 CB LEU B 341 7.463 5.382 -6.498 1.00 45.14 C ATOM 2158 CG LEU B 341 6.595 4.130 -6.360 1.00 73.23 C ATOM 2159 CD1 LEU B 341 5.901 4.091 -4.998 1.00 65.35 C ATOM 2160 CD2 LEU B 341 5.596 4.025 -7.514 1.00 55.44 C ATOM 0 H LEU B 341 8.632 3.718 -7.975 1.00 42.45 H new ATOM 0 HA LEU B 341 7.117 6.163 -8.425 1.00 42.21 H new ATOM 0 HB2 LEU B 341 8.329 5.273 -5.845 1.00 45.14 H new ATOM 0 HB3 LEU B 341 6.894 6.237 -6.132 1.00 45.14 H new ATOM 0 HG LEU B 341 7.245 3.257 -6.416 1.00 73.23 H new ATOM 0 HD11 LEU B 341 5.290 3.191 -4.926 1.00 65.35 H new ATOM 0 HD12 LEU B 341 6.651 4.084 -4.207 1.00 65.35 H new ATOM 0 HD13 LEU B 341 5.266 4.970 -4.888 1.00 65.35 H new ATOM 0 HD21 LEU B 341 4.992 3.126 -7.391 1.00 55.44 H new ATOM 0 HD22 LEU B 341 4.947 4.901 -7.515 1.00 55.44 H new ATOM 0 HD23 LEU B 341 6.136 3.973 -8.459 1.00 55.44 H new ATOM 2172 N SER B 342 8.884 7.791 -8.676 1.00 53.43 N ATOM 2173 CA SER B 342 9.888 8.835 -8.799 1.00 62.22 C ATOM 2174 C SER B 342 10.024 9.589 -7.474 1.00 15.10 C ATOM 2175 O SER B 342 11.077 9.549 -6.839 1.00 21.54 O ATOM 2176 CB SER B 342 9.539 9.806 -9.928 1.00 33.03 C ATOM 2177 OG SER B 342 8.689 9.207 -10.904 1.00 21.10 O ATOM 0 H SER B 342 8.021 7.966 -9.192 1.00 53.43 H new ATOM 0 HA SER B 342 10.841 8.365 -9.043 1.00 62.22 H new ATOM 0 HB2 SER B 342 9.049 10.686 -9.511 1.00 33.03 H new ATOM 0 HB3 SER B 342 10.456 10.149 -10.407 1.00 33.03 H new ATOM 0 HG SER B 342 8.488 9.859 -11.607 1.00 21.10 H new ATOM 2183 N SER B 343 8.945 10.257 -7.097 1.00 0.25 N ATOM 2184 CA SER B 343 8.930 11.019 -5.859 1.00 53.03 C ATOM 2185 C SER B 343 9.470 12.429 -6.107 1.00 5.52 C ATOM 2186 O SER B 343 9.381 13.293 -5.236 1.00 30.55 O ATOM 2187 CB SER B 343 9.750 10.319 -4.773 1.00 24.32 C ATOM 2188 OG SER B 343 9.661 8.901 -4.868 1.00 14.53 O ATOM 0 H SER B 343 8.074 10.287 -7.627 1.00 0.25 H new ATOM 0 HA SER B 343 7.899 11.088 -5.511 1.00 53.03 H new ATOM 0 HB2 SER B 343 10.794 10.623 -4.854 1.00 24.32 H new ATOM 0 HB3 SER B 343 9.400 10.639 -3.792 1.00 24.32 H new ATOM 0 HG SER B 343 10.434 8.557 -5.363 1.00 14.53 H new ATOM 2194 N LYS B 344 10.018 12.618 -7.298 1.00 41.31 N ATOM 2195 CA LYS B 344 10.572 13.909 -7.671 1.00 25.42 C ATOM 2196 C LYS B 344 9.512 14.717 -8.421 1.00 71.41 C ATOM 2197 O LYS B 344 9.525 15.946 -8.389 1.00 5.30 O ATOM 2198 CB LYS B 344 11.874 13.727 -8.453 1.00 31.02 C ATOM 2199 CG LYS B 344 11.740 12.609 -9.489 1.00 5.42 C ATOM 2200 CD LYS B 344 12.426 11.330 -9.008 1.00 64.43 C ATOM 2201 CE LYS B 344 13.516 10.890 -9.988 1.00 14.43 C ATOM 2202 NZ LYS B 344 12.938 10.059 -11.068 1.00 22.20 N ATOM 0 H LYS B 344 10.090 11.899 -8.018 1.00 41.31 H new ATOM 0 HA LYS B 344 10.838 14.480 -6.782 1.00 25.42 H new ATOM 0 HB2 LYS B 344 12.136 14.660 -8.952 1.00 31.02 H new ATOM 0 HB3 LYS B 344 12.686 13.494 -7.765 1.00 31.02 H new ATOM 0 HG2 LYS B 344 10.685 12.410 -9.680 1.00 5.42 H new ATOM 0 HG3 LYS B 344 12.180 12.929 -10.433 1.00 5.42 H new ATOM 0 HD2 LYS B 344 12.863 11.496 -8.023 1.00 64.43 H new ATOM 0 HD3 LYS B 344 11.687 10.536 -8.900 1.00 64.43 H new ATOM 0 HE2 LYS B 344 14.003 11.766 -10.416 1.00 14.43 H new ATOM 0 HE3 LYS B 344 14.283 10.326 -9.458 1.00 14.43 H new ATOM 0 HZ1 LYS B 344 13.691 9.769 -11.724 1.00 22.20 H new ATOM 0 HZ2 LYS B 344 12.494 9.214 -10.656 1.00 22.20 H new ATOM 0 HZ3 LYS B 344 12.222 10.609 -11.584 1.00 22.20 H new ATOM 2215 N GLU B 345 8.618 13.993 -9.078 1.00 53.15 N ATOM 2216 CA GLU B 345 7.551 14.626 -9.836 1.00 4.44 C ATOM 2217 C GLU B 345 6.318 14.825 -8.953 1.00 23.22 C ATOM 2218 O GLU B 345 5.348 15.457 -9.368 1.00 21.12 O ATOM 2219 CB GLU B 345 7.206 13.813 -11.084 1.00 53.02 C ATOM 2220 CG GLU B 345 8.408 12.988 -11.551 1.00 14.22 C ATOM 2221 CD GLU B 345 8.433 12.869 -13.076 1.00 0.42 C ATOM 2222 OE1 GLU B 345 8.831 13.819 -13.765 1.00 61.52 O ATOM 2223 OE2 GLU B 345 8.020 11.739 -13.541 1.00 24.43 O ATOM 0 H GLU B 345 8.610 12.973 -9.101 1.00 53.15 H new ATOM 0 HA GLU B 345 7.899 15.605 -10.166 1.00 4.44 H new ATOM 0 HB2 GLU B 345 6.367 13.151 -10.871 1.00 53.02 H new ATOM 0 HB3 GLU B 345 6.888 14.483 -11.883 1.00 53.02 H new ATOM 0 HG2 GLU B 345 9.330 13.454 -11.204 1.00 14.22 H new ATOM 0 HG3 GLU B 345 8.366 11.994 -11.106 1.00 14.22 H new ATOM 2231 N VAL B 346 6.396 14.274 -7.750 1.00 4.42 N ATOM 2232 CA VAL B 346 5.299 14.381 -6.805 1.00 33.24 C ATOM 2233 C VAL B 346 5.113 15.848 -6.412 1.00 64.22 C ATOM 2234 O VAL B 346 5.887 16.709 -6.825 1.00 4.44 O ATOM 2235 CB VAL B 346 5.550 13.468 -5.604 1.00 73.12 C ATOM 2236 CG1 VAL B 346 5.735 12.015 -6.049 1.00 34.11 C ATOM 2237 CG2 VAL B 346 6.752 13.950 -4.790 1.00 13.23 C ATOM 0 H VAL B 346 7.203 13.752 -7.409 1.00 4.42 H new ATOM 0 HA VAL B 346 4.368 14.045 -7.261 1.00 33.24 H new ATOM 0 HB VAL B 346 4.671 13.512 -4.960 1.00 73.12 H new ATOM 0 HG11 VAL B 346 5.912 11.387 -5.176 1.00 34.11 H new ATOM 0 HG12 VAL B 346 4.837 11.675 -6.564 1.00 34.11 H new ATOM 0 HG13 VAL B 346 6.588 11.947 -6.724 1.00 34.11 H new ATOM 0 HG21 VAL B 346 6.908 13.283 -3.942 1.00 13.23 H new ATOM 0 HG22 VAL B 346 7.641 13.950 -5.420 1.00 13.23 H new ATOM 0 HG23 VAL B 346 6.564 14.960 -4.427 1.00 13.23 H new ATOM 2247 N ASP B 347 4.080 16.088 -5.616 1.00 64.45 N ATOM 2248 CA ASP B 347 3.783 17.436 -5.163 1.00 13.23 C ATOM 2249 C ASP B 347 4.747 17.815 -4.036 1.00 41.10 C ATOM 2250 O ASP B 347 4.396 17.735 -2.860 1.00 60.02 O ATOM 2251 CB ASP B 347 2.357 17.531 -4.615 1.00 11.14 C ATOM 2252 CG ASP B 347 1.748 18.935 -4.637 1.00 55.41 C ATOM 2253 OD1 ASP B 347 2.322 19.888 -4.091 1.00 44.22 O ATOM 2254 OD2 ASP B 347 0.620 19.029 -5.257 1.00 54.24 O ATOM 0 H ASP B 347 3.439 15.372 -5.274 1.00 64.45 H new ATOM 0 HA ASP B 347 3.889 18.109 -6.014 1.00 13.23 H new ATOM 0 HB2 ASP B 347 1.717 16.864 -5.193 1.00 11.14 H new ATOM 0 HB3 ASP B 347 2.353 17.166 -3.588 1.00 11.14 H new