USER MOD reduce.3.24.130724 H: found=0, std=0, add=971, rem=0, adj=26 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 87 SER OG : rot -130:sc= -0.629 USER MOD Set 1.2: A 88 MET CE :methyl -144:sc= -1.28 (180deg=-2.76!) USER MOD Set 2.1: A 59 ASN :FLIP amide:sc= -0.138 F(o=-0.81,f=-0.19) USER MOD Set 2.2: A 61 SER OG : rot 180:sc= -0.0517 USER MOD Single : A 15 GLN : amide:sc= -0.011 X(o=-0.011,f=-0.0029) USER MOD Single : A 26 GLN : amide:sc= -0.413 X(o=-0.41,f=0) USER MOD Single : A 27 HIS : no HD1:sc= -6.24! C(o=-6.2!,f=-7.1!) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0.0584 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00158) USER MOD Single : A 42 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.043) USER MOD Single : A 43 GLN : amide:sc= -0.0044 X(o=-0.0044,f=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 155:sc= 1.15 (180deg=-1.42!) USER MOD Single : A 57 HIS : no HD1:sc= -7.56! C(o=-7.6!,f=-11!) USER MOD Single : A 60 MET CE :methyl 143:sc= -3.78! (180deg=-5.92!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 GLN : amide:sc=-0.00138 X(o=-0.0014,f=0) USER MOD Single : A 74 ASN : amide:sc= 0.463 K(o=0.46,f=-3.9!) USER MOD Single : A 76 ASN : amide:sc= -0.0182 K(o=-0.018,f=-0.68) USER MOD Single : A 77 GLN : amide:sc= 0.227 X(o=0.23,f=0.0052) USER MOD Single : A 84 ASN : amide:sc= 0.0213 K(o=0.021,f=-2.1!) USER MOD Single : A 86 HIS : no HE2:sc= -11.5! C(o=-12!,f=-14!) USER MOD Single : A 90 SER OG : rot 180:sc= -0.628 USER MOD Single : A 92 SER OG : rot -50:sc= 0.027 USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 180:sc= -0.0612 USER MOD Single : A 99 TYR OH : rot 166:sc= 0.515 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 110 TYR OH : rot -141:sc= -2.97! USER MOD Single : A 111 MET CE :methyl -126:sc= -3.26 (180deg=-9.75!) USER MOD Single : A 113 TYR OH : rot 17:sc= 1.12 USER MOD Single : A 115 SER OG : rot -52:sc= 1.23 USER MOD Single : A 116 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 118 THR OG1 : rot 180:sc= 0 USER MOD Single : B 339 THR OG1 : rot 180:sc= -0.0321 USER MOD Single : B 340 HIS : no HD1:sc= -0.106 X(o=-0.11,f=-0.1) USER MOD Single : B 342 SER OG : rot 180:sc= 0 USER MOD Single : B 343 SER OG : rot -154:sc= 0.506 USER MOD Single : B 344 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 221 N PHE A 13 0.233 -18.046 -2.902 1.00 41.44 N ATOM 222 CA PHE A 13 1.429 -17.602 -2.205 1.00 63.33 C ATOM 223 C PHE A 13 2.681 -17.856 -3.046 1.00 44.41 C ATOM 224 O PHE A 13 3.570 -17.009 -3.114 1.00 20.03 O ATOM 225 CB PHE A 13 1.522 -18.417 -0.913 1.00 2.14 C ATOM 226 CG PHE A 13 2.238 -17.693 0.229 1.00 71.11 C ATOM 227 CD1 PHE A 13 1.973 -16.382 0.474 1.00 23.23 C ATOM 228 CD2 PHE A 13 3.138 -18.361 0.998 1.00 5.52 C ATOM 229 CE1 PHE A 13 2.638 -15.710 1.534 1.00 5.13 C ATOM 230 CE2 PHE A 13 3.803 -17.689 2.058 1.00 33.33 C ATOM 231 CZ PHE A 13 3.538 -16.378 2.305 1.00 61.43 C ATOM 0 HA PHE A 13 1.369 -16.532 -2.008 1.00 63.33 H new ATOM 0 HB2 PHE A 13 0.515 -18.680 -0.588 1.00 2.14 H new ATOM 0 HB3 PHE A 13 2.044 -19.351 -1.121 1.00 2.14 H new ATOM 0 HD1 PHE A 13 1.257 -15.852 -0.137 1.00 23.23 H new ATOM 0 HD2 PHE A 13 3.347 -19.402 0.803 1.00 5.52 H new ATOM 0 HE1 PHE A 13 2.429 -14.668 1.728 1.00 5.13 H new ATOM 0 HE2 PHE A 13 4.519 -18.219 2.668 1.00 33.33 H new ATOM 0 HZ PHE A 13 4.042 -15.868 3.113 1.00 61.43 H new ATOM 241 N GLU A 14 2.710 -19.027 -3.667 1.00 55.44 N ATOM 242 CA GLU A 14 3.839 -19.403 -4.501 1.00 2.44 C ATOM 243 C GLU A 14 3.948 -18.461 -5.702 1.00 21.01 C ATOM 244 O GLU A 14 5.048 -18.076 -6.095 1.00 32.24 O ATOM 245 CB GLU A 14 3.724 -20.860 -4.955 1.00 3.33 C ATOM 246 CG GLU A 14 4.374 -21.802 -3.941 1.00 34.15 C ATOM 247 CD GLU A 14 4.366 -23.245 -4.450 1.00 72.44 C ATOM 248 OE1 GLU A 14 5.411 -23.912 -4.441 1.00 44.41 O ATOM 249 OE2 GLU A 14 3.221 -23.670 -4.865 1.00 21.22 O ATOM 0 H GLU A 14 1.970 -19.727 -3.609 1.00 55.44 H new ATOM 0 HA GLU A 14 4.750 -19.312 -3.909 1.00 2.44 H new ATOM 0 HB2 GLU A 14 2.674 -21.124 -5.081 1.00 3.33 H new ATOM 0 HB3 GLU A 14 4.202 -20.981 -5.927 1.00 3.33 H new ATOM 0 HG2 GLU A 14 5.399 -21.485 -3.750 1.00 34.15 H new ATOM 0 HG3 GLU A 14 3.841 -21.744 -2.992 1.00 34.15 H new ATOM 257 N GLN A 15 2.793 -18.120 -6.253 1.00 45.15 N ATOM 258 CA GLN A 15 2.745 -17.231 -7.402 1.00 41.13 C ATOM 259 C GLN A 15 3.281 -15.849 -7.025 1.00 53.54 C ATOM 260 O GLN A 15 3.915 -15.181 -7.843 1.00 72.22 O ATOM 261 CB GLN A 15 1.324 -17.134 -7.961 1.00 53.44 C ATOM 262 CG GLN A 15 0.955 -18.397 -8.742 1.00 54.20 C ATOM 263 CD GLN A 15 1.466 -18.319 -10.182 1.00 14.33 C ATOM 264 OE1 GLN A 15 1.026 -17.510 -10.981 1.00 75.04 O ATOM 265 NE2 GLN A 15 2.416 -19.205 -10.467 1.00 10.33 N ATOM 0 H GLN A 15 1.883 -18.443 -5.925 1.00 45.15 H new ATOM 0 HA GLN A 15 3.380 -17.645 -8.185 1.00 41.13 H new ATOM 0 HB2 GLN A 15 0.617 -16.988 -7.144 1.00 53.44 H new ATOM 0 HB3 GLN A 15 1.244 -16.263 -8.612 1.00 53.44 H new ATOM 0 HG2 GLN A 15 1.379 -19.271 -8.248 1.00 54.20 H new ATOM 0 HG3 GLN A 15 -0.127 -18.525 -8.743 1.00 54.20 H new ATOM 0 HE21 GLN A 15 2.739 -19.855 -9.750 1.00 10.33 H new ATOM 0 HE22 GLN A 15 2.822 -19.235 -11.402 1.00 10.33 H new ATOM 274 N ARG A 16 3.008 -15.459 -5.790 1.00 3.03 N ATOM 275 CA ARG A 16 3.455 -14.167 -5.295 1.00 14.35 C ATOM 276 C ARG A 16 4.958 -14.200 -5.010 1.00 53.10 C ATOM 277 O ARG A 16 5.723 -13.438 -5.601 1.00 3.11 O ATOM 278 CB ARG A 16 2.709 -13.778 -4.017 1.00 24.11 C ATOM 279 CG ARG A 16 3.432 -12.646 -3.284 1.00 72.42 C ATOM 280 CD ARG A 16 2.519 -11.997 -2.242 1.00 11.40 C ATOM 281 NE ARG A 16 1.363 -11.357 -2.909 1.00 51.11 N ATOM 282 CZ ARG A 16 0.185 -11.973 -3.138 1.00 12.01 C ATOM 283 NH1 ARG A 16 -0.005 -13.253 -2.755 1.00 15.11 N ATOM 284 NH2 ARG A 16 -0.780 -11.306 -3.744 1.00 73.11 N ATOM 0 H ARG A 16 2.482 -16.015 -5.116 1.00 3.03 H new ATOM 0 HA ARG A 16 3.243 -13.425 -6.065 1.00 14.35 H new ATOM 0 HB2 ARG A 16 1.694 -13.466 -4.264 1.00 24.11 H new ATOM 0 HB3 ARG A 16 2.625 -14.645 -3.362 1.00 24.11 H new ATOM 0 HG2 ARG A 16 4.326 -13.036 -2.797 1.00 72.42 H new ATOM 0 HG3 ARG A 16 3.762 -11.895 -4.002 1.00 72.42 H new ATOM 0 HD2 ARG A 16 2.170 -12.749 -1.534 1.00 11.40 H new ATOM 0 HD3 ARG A 16 3.076 -11.255 -1.670 1.00 11.40 H new ATOM 0 HE ARG A 16 1.463 -10.389 -3.215 1.00 51.11 H new ATOM 0 HH11 ARG A 16 0.745 -13.762 -2.288 1.00 15.11 H new ATOM 0 HH12 ARG A 16 -0.899 -13.711 -2.932 1.00 15.11 H new ATOM 0 HH21 ARG A 16 -0.629 -10.339 -4.032 1.00 73.11 H new ATOM 0 HH22 ARG A 16 -1.677 -11.758 -3.924 1.00 73.11 H new ATOM 297 N VAL A 17 5.337 -15.089 -4.105 1.00 23.21 N ATOM 298 CA VAL A 17 6.735 -15.231 -3.734 1.00 72.24 C ATOM 299 C VAL A 17 7.596 -15.239 -4.998 1.00 12.31 C ATOM 300 O VAL A 17 8.748 -14.809 -4.973 1.00 41.11 O ATOM 301 CB VAL A 17 6.924 -16.484 -2.875 1.00 61.12 C ATOM 302 CG1 VAL A 17 8.402 -16.701 -2.541 1.00 70.24 C ATOM 303 CG2 VAL A 17 6.079 -16.408 -1.601 1.00 4.10 C ATOM 0 H VAL A 17 4.700 -15.719 -3.617 1.00 23.21 H new ATOM 0 HA VAL A 17 7.056 -14.385 -3.127 1.00 72.24 H new ATOM 0 HB VAL A 17 6.581 -17.342 -3.453 1.00 61.12 H new ATOM 0 HG11 VAL A 17 8.509 -17.597 -1.930 1.00 70.24 H new ATOM 0 HG12 VAL A 17 8.970 -16.821 -3.464 1.00 70.24 H new ATOM 0 HG13 VAL A 17 8.781 -15.840 -1.991 1.00 70.24 H new ATOM 0 HG21 VAL A 17 6.232 -17.310 -1.009 1.00 4.10 H new ATOM 0 HG22 VAL A 17 6.377 -15.537 -1.018 1.00 4.10 H new ATOM 0 HG23 VAL A 17 5.026 -16.323 -1.868 1.00 4.10 H new ATOM 313 N GLU A 18 7.003 -15.731 -6.076 1.00 25.41 N ATOM 314 CA GLU A 18 7.701 -15.801 -7.349 1.00 5.04 C ATOM 315 C GLU A 18 7.650 -14.445 -8.056 1.00 14.13 C ATOM 316 O GLU A 18 8.634 -14.017 -8.657 1.00 42.13 O ATOM 317 CB GLU A 18 7.117 -16.903 -8.234 1.00 74.55 C ATOM 318 CG GLU A 18 8.149 -17.389 -9.256 1.00 43.23 C ATOM 319 CD GLU A 18 7.587 -18.536 -10.099 1.00 34.23 C ATOM 320 OE1 GLU A 18 7.201 -18.321 -11.257 1.00 42.32 O ATOM 321 OE2 GLU A 18 7.561 -19.683 -9.510 1.00 63.31 O ATOM 0 H GLU A 18 6.047 -16.085 -6.094 1.00 25.41 H new ATOM 0 HA GLU A 18 8.745 -16.050 -7.157 1.00 5.04 H new ATOM 0 HB2 GLU A 18 6.792 -17.739 -7.614 1.00 74.55 H new ATOM 0 HB3 GLU A 18 6.234 -16.529 -8.753 1.00 74.55 H new ATOM 0 HG2 GLU A 18 8.439 -16.563 -9.906 1.00 43.23 H new ATOM 0 HG3 GLU A 18 9.050 -17.720 -8.739 1.00 43.23 H new ATOM 329 N ASP A 19 6.492 -13.807 -7.962 1.00 32.14 N ATOM 330 CA ASP A 19 6.300 -12.508 -8.585 1.00 24.24 C ATOM 331 C ASP A 19 7.292 -11.508 -7.986 1.00 51.31 C ATOM 332 O ASP A 19 7.732 -10.582 -8.666 1.00 42.23 O ATOM 333 CB ASP A 19 4.887 -11.980 -8.334 1.00 51.12 C ATOM 334 CG ASP A 19 4.465 -10.810 -9.225 1.00 40.34 C ATOM 335 OD1 ASP A 19 4.494 -9.644 -8.803 1.00 21.13 O ATOM 336 OD2 ASP A 19 4.091 -11.137 -10.415 1.00 21.13 O ATOM 0 H ASP A 19 5.677 -14.166 -7.464 1.00 32.14 H new ATOM 0 HA ASP A 19 6.457 -12.622 -9.658 1.00 24.24 H new ATOM 0 HB2 ASP A 19 4.180 -12.797 -8.475 1.00 51.12 H new ATOM 0 HB3 ASP A 19 4.812 -11.669 -7.292 1.00 51.12 H new ATOM 342 N VAL A 20 7.613 -11.729 -6.720 1.00 71.23 N ATOM 343 CA VAL A 20 8.544 -10.859 -6.022 1.00 54.42 C ATOM 344 C VAL A 20 9.976 -11.236 -6.409 1.00 35.23 C ATOM 345 O VAL A 20 10.831 -10.365 -6.560 1.00 13.24 O ATOM 346 CB VAL A 20 8.295 -10.927 -4.514 1.00 4.51 C ATOM 347 CG1 VAL A 20 9.545 -10.520 -3.732 1.00 23.14 C ATOM 348 CG2 VAL A 20 7.095 -10.065 -4.117 1.00 35.51 C ATOM 0 H VAL A 20 7.245 -12.498 -6.160 1.00 71.23 H new ATOM 0 HA VAL A 20 8.390 -9.821 -6.317 1.00 54.42 H new ATOM 0 HB VAL A 20 8.064 -11.961 -4.260 1.00 4.51 H new ATOM 0 HG11 VAL A 20 9.340 -10.577 -2.663 1.00 23.14 H new ATOM 0 HG12 VAL A 20 10.365 -11.193 -3.981 1.00 23.14 H new ATOM 0 HG13 VAL A 20 9.822 -9.499 -3.994 1.00 23.14 H new ATOM 0 HG21 VAL A 20 6.940 -10.131 -3.040 1.00 35.51 H new ATOM 0 HG22 VAL A 20 7.285 -9.028 -4.393 1.00 35.51 H new ATOM 0 HG23 VAL A 20 6.204 -10.421 -4.634 1.00 35.51 H new ATOM 358 N ARG A 21 10.192 -12.534 -6.557 1.00 73.35 N ATOM 359 CA ARG A 21 11.505 -13.037 -6.923 1.00 12.33 C ATOM 360 C ARG A 21 12.119 -12.168 -8.023 1.00 3.32 C ATOM 361 O ARG A 21 13.310 -11.863 -7.986 1.00 20.04 O ATOM 362 CB ARG A 21 11.424 -14.485 -7.413 1.00 32.23 C ATOM 363 CG ARG A 21 12.815 -15.116 -7.491 1.00 24.21 C ATOM 364 CD ARG A 21 12.720 -16.626 -7.716 1.00 65.53 C ATOM 365 NE ARG A 21 12.013 -16.906 -8.984 1.00 31.50 N ATOM 366 CZ ARG A 21 11.474 -18.102 -9.303 1.00 64.23 C ATOM 367 NH1 ARG A 21 11.556 -19.141 -8.444 1.00 64.10 N ATOM 368 NH2 ARG A 21 10.863 -18.242 -10.465 1.00 2.31 N ATOM 0 H ARG A 21 9.480 -13.253 -6.430 1.00 73.35 H new ATOM 0 HA ARG A 21 12.133 -13.001 -6.033 1.00 12.33 H new ATOM 0 HB2 ARG A 21 10.795 -15.066 -6.739 1.00 32.23 H new ATOM 0 HB3 ARG A 21 10.952 -14.514 -8.395 1.00 32.23 H new ATOM 0 HG2 ARG A 21 13.381 -14.659 -8.303 1.00 24.21 H new ATOM 0 HG3 ARG A 21 13.361 -14.916 -6.569 1.00 24.21 H new ATOM 0 HD2 ARG A 21 13.719 -17.061 -7.744 1.00 65.53 H new ATOM 0 HD3 ARG A 21 12.192 -17.093 -6.885 1.00 65.53 H new ATOM 0 HE ARG A 21 11.927 -16.148 -9.661 1.00 31.50 H new ATOM 0 HH11 ARG A 21 12.028 -19.025 -7.547 1.00 64.10 H new ATOM 0 HH12 ARG A 21 11.146 -20.041 -8.692 1.00 64.10 H new ATOM 0 HH21 ARG A 21 10.803 -17.452 -11.108 1.00 2.31 H new ATOM 0 HH22 ARG A 21 10.451 -19.140 -10.720 1.00 2.31 H new ATOM 381 N LEU A 22 11.278 -11.794 -8.976 1.00 21.23 N ATOM 382 CA LEU A 22 11.723 -10.966 -10.084 1.00 44.20 C ATOM 383 C LEU A 22 12.157 -9.599 -9.551 1.00 44.01 C ATOM 384 O LEU A 22 13.329 -9.237 -9.641 1.00 64.33 O ATOM 385 CB LEU A 22 10.641 -10.890 -11.164 1.00 45.15 C ATOM 386 CG LEU A 22 10.328 -12.199 -11.892 1.00 0.33 C ATOM 387 CD1 LEU A 22 9.964 -11.940 -13.355 1.00 14.41 C ATOM 388 CD2 LEU A 22 11.483 -13.192 -11.756 1.00 33.03 C ATOM 0 H LEU A 22 10.291 -12.049 -9.004 1.00 21.23 H new ATOM 0 HA LEU A 22 12.593 -11.411 -10.567 1.00 44.20 H new ATOM 0 HB2 LEU A 22 9.723 -10.524 -10.705 1.00 45.15 H new ATOM 0 HB3 LEU A 22 10.945 -10.149 -11.904 1.00 45.15 H new ATOM 0 HG LEU A 22 9.457 -12.652 -11.419 1.00 0.33 H new ATOM 0 HD11 LEU A 22 9.746 -12.887 -13.849 1.00 14.41 H new ATOM 0 HD12 LEU A 22 9.086 -11.295 -13.403 1.00 14.41 H new ATOM 0 HD13 LEU A 22 10.800 -11.453 -13.857 1.00 14.41 H new ATOM 0 HD21 LEU A 22 11.234 -14.114 -12.282 1.00 33.03 H new ATOM 0 HD22 LEU A 22 12.387 -12.760 -12.187 1.00 33.03 H new ATOM 0 HD23 LEU A 22 11.652 -13.411 -10.702 1.00 33.03 H new ATOM 400 N ILE A 23 11.189 -8.877 -9.007 1.00 72.43 N ATOM 401 CA ILE A 23 11.456 -7.557 -8.460 1.00 73.03 C ATOM 402 C ILE A 23 12.679 -7.629 -7.544 1.00 50.41 C ATOM 403 O ILE A 23 13.358 -6.625 -7.329 1.00 52.54 O ATOM 404 CB ILE A 23 10.207 -6.997 -7.777 1.00 1.30 C ATOM 405 CG1 ILE A 23 9.895 -5.586 -8.276 1.00 62.53 C ATOM 406 CG2 ILE A 23 10.347 -7.048 -6.254 1.00 72.53 C ATOM 407 CD1 ILE A 23 9.759 -5.562 -9.801 1.00 24.34 C ATOM 0 H ILE A 23 10.218 -9.181 -8.933 1.00 72.43 H new ATOM 0 HA ILE A 23 11.695 -6.854 -9.258 1.00 73.03 H new ATOM 0 HB ILE A 23 9.359 -7.628 -8.045 1.00 1.30 H new ATOM 0 HG12 ILE A 23 8.971 -5.231 -7.819 1.00 62.53 H new ATOM 0 HG13 ILE A 23 10.687 -4.904 -7.967 1.00 62.53 H new ATOM 0 HG21 ILE A 23 9.446 -6.644 -5.792 1.00 72.53 H new ATOM 0 HG22 ILE A 23 10.486 -8.081 -5.936 1.00 72.53 H new ATOM 0 HG23 ILE A 23 11.209 -6.455 -5.948 1.00 72.53 H new ATOM 0 HD11 ILE A 23 9.537 -4.547 -10.131 1.00 24.34 H new ATOM 0 HD12 ILE A 23 10.692 -5.895 -10.255 1.00 24.34 H new ATOM 0 HD13 ILE A 23 8.951 -6.227 -10.105 1.00 24.34 H new ATOM 419 N ARG A 24 12.923 -8.825 -7.027 1.00 12.34 N ATOM 420 CA ARG A 24 14.053 -9.039 -6.139 1.00 45.23 C ATOM 421 C ARG A 24 15.338 -9.222 -6.949 1.00 1.14 C ATOM 422 O ARG A 24 16.408 -8.784 -6.529 1.00 74.04 O ATOM 423 CB ARG A 24 13.834 -10.271 -5.259 1.00 34.14 C ATOM 424 CG ARG A 24 13.197 -9.884 -3.922 1.00 13.13 C ATOM 425 CD ARG A 24 14.005 -8.786 -3.227 1.00 0.34 C ATOM 426 NE ARG A 24 15.451 -8.990 -3.471 1.00 52.12 N ATOM 427 CZ ARG A 24 16.198 -9.926 -2.849 1.00 54.35 C ATOM 428 NH1 ARG A 24 15.642 -10.753 -1.938 1.00 71.43 N ATOM 429 NH2 ARG A 24 17.482 -10.020 -3.145 1.00 1.01 N ATOM 0 H ARG A 24 12.358 -9.655 -7.206 1.00 12.34 H new ATOM 0 HA ARG A 24 14.144 -8.160 -5.500 1.00 45.23 H new ATOM 0 HB2 ARG A 24 13.193 -10.984 -5.778 1.00 34.14 H new ATOM 0 HB3 ARG A 24 14.787 -10.769 -5.081 1.00 34.14 H new ATOM 0 HG2 ARG A 24 12.176 -9.540 -4.088 1.00 13.13 H new ATOM 0 HG3 ARG A 24 13.137 -10.760 -3.276 1.00 13.13 H new ATOM 0 HD2 ARG A 24 13.700 -7.808 -3.599 1.00 0.34 H new ATOM 0 HD3 ARG A 24 13.803 -8.797 -2.156 1.00 0.34 H new ATOM 0 HE ARG A 24 15.911 -8.385 -4.152 1.00 52.12 H new ATOM 0 HH11 ARG A 24 14.650 -10.673 -1.715 1.00 71.43 H new ATOM 0 HH12 ARG A 24 16.214 -11.458 -1.473 1.00 71.43 H new ATOM 0 HH21 ARG A 24 17.894 -9.391 -3.834 1.00 1.01 H new ATOM 0 HH22 ARG A 24 18.062 -10.722 -2.684 1.00 1.01 H new ATOM 442 N GLU A 25 15.190 -9.869 -8.095 1.00 75.54 N ATOM 443 CA GLU A 25 16.326 -10.115 -8.967 1.00 71.24 C ATOM 444 C GLU A 25 16.477 -8.975 -9.977 1.00 4.54 C ATOM 445 O GLU A 25 17.435 -8.945 -10.747 1.00 51.11 O ATOM 446 CB GLU A 25 16.190 -11.462 -9.679 1.00 21.24 C ATOM 447 CG GLU A 25 15.368 -11.324 -10.962 1.00 65.42 C ATOM 448 CD GLU A 25 15.025 -12.697 -11.545 1.00 43.43 C ATOM 449 OE1 GLU A 25 15.320 -12.965 -12.719 1.00 42.04 O ATOM 450 OE2 GLU A 25 14.431 -13.502 -10.730 1.00 50.21 O ATOM 0 H GLU A 25 14.301 -10.231 -8.440 1.00 75.54 H new ATOM 0 HA GLU A 25 17.227 -10.154 -8.354 1.00 71.24 H new ATOM 0 HB2 GLU A 25 17.179 -11.853 -9.917 1.00 21.24 H new ATOM 0 HB3 GLU A 25 15.714 -12.182 -9.014 1.00 21.24 H new ATOM 0 HG2 GLU A 25 14.450 -10.774 -10.753 1.00 65.42 H new ATOM 0 HG3 GLU A 25 15.927 -10.743 -11.695 1.00 65.42 H new ATOM 458 N GLN A 26 15.514 -8.065 -9.941 1.00 42.22 N ATOM 459 CA GLN A 26 15.527 -6.925 -10.843 1.00 1.04 C ATOM 460 C GLN A 26 15.697 -5.625 -10.055 1.00 74.23 C ATOM 461 O GLN A 26 16.610 -4.846 -10.325 1.00 72.32 O ATOM 462 CB GLN A 26 14.259 -6.887 -11.697 1.00 4.32 C ATOM 463 CG GLN A 26 14.183 -8.103 -12.623 1.00 11.50 C ATOM 464 CD GLN A 26 13.279 -7.822 -13.824 1.00 70.32 C ATOM 465 OE1 GLN A 26 13.704 -7.314 -14.849 1.00 21.42 O ATOM 466 NE2 GLN A 26 12.010 -8.179 -13.642 1.00 14.23 N ATOM 0 H GLN A 26 14.720 -8.094 -9.302 1.00 42.22 H new ATOM 0 HA GLN A 26 16.377 -7.031 -11.518 1.00 1.04 H new ATOM 0 HB2 GLN A 26 13.382 -6.863 -11.050 1.00 4.32 H new ATOM 0 HB3 GLN A 26 14.243 -5.973 -12.290 1.00 4.32 H new ATOM 0 HG2 GLN A 26 15.183 -8.364 -12.969 1.00 11.50 H new ATOM 0 HG3 GLN A 26 13.803 -8.962 -12.070 1.00 11.50 H new ATOM 0 HE21 GLN A 26 11.720 -8.600 -12.759 1.00 14.23 H new ATOM 0 HE22 GLN A 26 11.327 -8.032 -14.385 1.00 14.23 H new ATOM 475 N HIS A 27 14.804 -5.432 -9.096 1.00 51.23 N ATOM 476 CA HIS A 27 14.844 -4.240 -8.266 1.00 52.43 C ATOM 477 C HIS A 27 15.079 -4.637 -6.807 1.00 72.33 C ATOM 478 O HIS A 27 14.138 -4.698 -6.016 1.00 1.33 O ATOM 479 CB HIS A 27 13.577 -3.404 -8.456 1.00 21.24 C ATOM 480 CG HIS A 27 13.250 -3.103 -9.899 1.00 74.33 C ATOM 481 ND1 HIS A 27 13.391 -1.841 -10.451 1.00 31.43 N ATOM 482 CD2 HIS A 27 12.790 -3.910 -10.896 1.00 21.41 C ATOM 483 CE1 HIS A 27 13.028 -1.899 -11.724 1.00 74.54 C ATOM 484 NE2 HIS A 27 12.655 -3.183 -11.998 1.00 22.24 N ATOM 0 H HIS A 27 14.049 -6.081 -8.875 1.00 51.23 H new ATOM 0 HA HIS A 27 15.677 -3.607 -8.572 1.00 52.43 H new ATOM 0 HB2 HIS A 27 12.736 -3.931 -8.006 1.00 21.24 H new ATOM 0 HB3 HIS A 27 13.690 -2.464 -7.916 1.00 21.24 H new ATOM 0 HD2 HIS A 27 12.572 -4.964 -10.805 1.00 21.41 H new ATOM 0 HE1 HIS A 27 13.027 -1.075 -12.422 1.00 74.54 H new ATOM 0 HE2 HIS A 27 12.327 -3.527 -12.900 1.00 22.24 H new ATOM 492 N PRO A 28 16.373 -4.905 -6.486 1.00 55.03 N ATOM 493 CA PRO A 28 16.743 -5.295 -5.136 1.00 41.14 C ATOM 494 C PRO A 28 16.722 -4.092 -4.192 1.00 41.12 C ATOM 495 O PRO A 28 16.433 -4.235 -3.004 1.00 74.04 O ATOM 496 CB PRO A 28 18.123 -5.919 -5.272 1.00 22.43 C ATOM 497 CG PRO A 28 18.668 -5.439 -6.607 1.00 40.31 C ATOM 498 CD PRO A 28 17.513 -4.844 -7.395 1.00 2.23 C ATOM 0 HA PRO A 28 16.041 -6.003 -4.695 1.00 41.14 H new ATOM 0 HB2 PRO A 28 18.773 -5.613 -4.452 1.00 22.43 H new ATOM 0 HB3 PRO A 28 18.064 -7.007 -5.243 1.00 22.43 H new ATOM 0 HG2 PRO A 28 19.450 -4.695 -6.455 1.00 40.31 H new ATOM 0 HG3 PRO A 28 19.118 -6.267 -7.155 1.00 40.31 H new ATOM 0 HD2 PRO A 28 17.726 -3.818 -7.695 1.00 2.23 H new ATOM 0 HD3 PRO A 28 17.323 -5.410 -8.307 1.00 2.23 H new ATOM 506 N THR A 29 17.031 -2.933 -4.754 1.00 63.23 N ATOM 507 CA THR A 29 17.050 -1.706 -3.977 1.00 35.40 C ATOM 508 C THR A 29 15.674 -1.037 -4.002 1.00 2.51 C ATOM 509 O THR A 29 15.572 0.185 -3.909 1.00 3.01 O ATOM 510 CB THR A 29 18.169 -0.816 -4.526 1.00 72.21 C ATOM 511 OG1 THR A 29 17.965 -0.835 -5.937 1.00 20.14 O ATOM 512 CG2 THR A 29 19.554 -1.437 -4.341 1.00 4.31 C ATOM 0 H THR A 29 17.270 -2.818 -5.739 1.00 63.23 H new ATOM 0 HA THR A 29 17.260 -1.906 -2.926 1.00 35.40 H new ATOM 0 HB THR A 29 18.138 0.155 -4.031 1.00 72.21 H new ATOM 0 HG1 THR A 29 18.646 -0.282 -6.373 1.00 20.14 H new ATOM 0 HG21 THR A 29 20.311 -0.766 -4.747 1.00 4.31 H new ATOM 0 HG22 THR A 29 19.742 -1.596 -3.279 1.00 4.31 H new ATOM 0 HG23 THR A 29 19.597 -2.392 -4.865 1.00 4.31 H new ATOM 520 N LYS A 30 14.650 -1.868 -4.127 1.00 73.12 N ATOM 521 CA LYS A 30 13.284 -1.373 -4.165 1.00 13.34 C ATOM 522 C LYS A 30 12.407 -2.240 -3.260 1.00 74.25 C ATOM 523 O LYS A 30 12.654 -3.435 -3.110 1.00 52.32 O ATOM 524 CB LYS A 30 12.785 -1.289 -5.609 1.00 53.11 C ATOM 525 CG LYS A 30 13.560 -0.229 -6.396 1.00 74.24 C ATOM 526 CD LYS A 30 12.884 1.139 -6.286 1.00 31.34 C ATOM 527 CE LYS A 30 12.494 1.671 -7.666 1.00 62.14 C ATOM 528 NZ LYS A 30 12.891 3.090 -7.805 1.00 64.44 N ATOM 0 H LYS A 30 14.739 -2.881 -4.203 1.00 73.12 H new ATOM 0 HA LYS A 30 13.236 -0.356 -3.776 1.00 13.34 H new ATOM 0 HB2 LYS A 30 12.896 -2.259 -6.093 1.00 53.11 H new ATOM 0 HB3 LYS A 30 11.722 -1.048 -5.617 1.00 53.11 H new ATOM 0 HG2 LYS A 30 14.581 -0.165 -6.019 1.00 74.24 H new ATOM 0 HG3 LYS A 30 13.624 -0.524 -7.443 1.00 74.24 H new ATOM 0 HD2 LYS A 30 11.996 1.060 -5.659 1.00 31.34 H new ATOM 0 HD3 LYS A 30 13.558 1.843 -5.798 1.00 31.34 H new ATOM 0 HE2 LYS A 30 12.975 1.075 -8.441 1.00 62.14 H new ATOM 0 HE3 LYS A 30 11.418 1.572 -7.810 1.00 62.14 H new ATOM 0 HZ1 LYS A 30 12.619 3.436 -8.747 1.00 64.44 H new ATOM 0 HZ2 LYS A 30 12.412 3.657 -7.077 1.00 64.44 H new ATOM 0 HZ3 LYS A 30 13.921 3.175 -7.689 1.00 64.44 H new ATOM 541 N ILE A 31 11.400 -1.603 -2.681 1.00 11.23 N ATOM 542 CA ILE A 31 10.484 -2.302 -1.795 1.00 34.53 C ATOM 543 C ILE A 31 9.172 -2.572 -2.534 1.00 61.33 C ATOM 544 O ILE A 31 8.474 -1.639 -2.927 1.00 14.43 O ATOM 545 CB ILE A 31 10.305 -1.525 -0.489 1.00 2.23 C ATOM 546 CG1 ILE A 31 11.640 -1.363 0.240 1.00 63.34 C ATOM 547 CG2 ILE A 31 9.243 -2.180 0.398 1.00 3.42 C ATOM 548 CD1 ILE A 31 12.065 -2.675 0.905 1.00 43.44 C ATOM 0 H ILE A 31 11.198 -0.611 -2.808 1.00 11.23 H new ATOM 0 HA ILE A 31 10.895 -3.271 -1.510 1.00 34.53 H new ATOM 0 HB ILE A 31 9.948 -0.524 -0.733 1.00 2.23 H new ATOM 0 HG12 ILE A 31 12.407 -1.044 -0.465 1.00 63.34 H new ATOM 0 HG13 ILE A 31 11.554 -0.580 0.994 1.00 63.34 H new ATOM 0 HG21 ILE A 31 9.136 -1.608 1.320 1.00 3.42 H new ATOM 0 HG22 ILE A 31 8.290 -2.200 -0.130 1.00 3.42 H new ATOM 0 HG23 ILE A 31 9.547 -3.199 0.637 1.00 3.42 H new ATOM 0 HD11 ILE A 31 13.017 -2.532 1.416 1.00 43.44 H new ATOM 0 HD12 ILE A 31 11.307 -2.979 1.627 1.00 43.44 H new ATOM 0 HD13 ILE A 31 12.174 -3.449 0.146 1.00 43.44 H new ATOM 560 N PRO A 32 8.870 -3.887 -2.706 1.00 41.13 N ATOM 561 CA PRO A 32 7.655 -4.292 -3.391 1.00 31.23 C ATOM 562 C PRO A 32 6.429 -4.091 -2.499 1.00 60.01 C ATOM 563 O PRO A 32 6.442 -4.462 -1.326 1.00 33.01 O ATOM 564 CB PRO A 32 7.882 -5.746 -3.770 1.00 4.31 C ATOM 565 CG PRO A 32 9.014 -6.236 -2.881 1.00 32.45 C ATOM 566 CD PRO A 32 9.674 -5.018 -2.254 1.00 10.22 C ATOM 0 HA PRO A 32 7.452 -3.691 -4.277 1.00 31.23 H new ATOM 0 HB2 PRO A 32 6.979 -6.336 -3.614 1.00 4.31 H new ATOM 0 HB3 PRO A 32 8.145 -5.839 -4.824 1.00 4.31 H new ATOM 0 HG2 PRO A 32 8.631 -6.903 -2.109 1.00 32.45 H new ATOM 0 HG3 PRO A 32 9.738 -6.805 -3.464 1.00 32.45 H new ATOM 0 HD2 PRO A 32 9.683 -5.088 -1.166 1.00 10.22 H new ATOM 0 HD3 PRO A 32 10.711 -4.920 -2.575 1.00 10.22 H new ATOM 574 N VAL A 33 5.397 -3.505 -3.088 1.00 12.13 N ATOM 575 CA VAL A 33 4.165 -3.250 -2.360 1.00 24.23 C ATOM 576 C VAL A 33 2.971 -3.549 -3.269 1.00 4.32 C ATOM 577 O VAL A 33 3.086 -3.491 -4.492 1.00 1.31 O ATOM 578 CB VAL A 33 4.162 -1.819 -1.820 1.00 41.31 C ATOM 579 CG1 VAL A 33 5.482 -1.496 -1.118 1.00 5.21 C ATOM 580 CG2 VAL A 33 3.874 -0.813 -2.935 1.00 4.04 C ATOM 0 H VAL A 33 5.388 -3.199 -4.061 1.00 12.13 H new ATOM 0 HA VAL A 33 4.089 -3.909 -1.495 1.00 24.23 H new ATOM 0 HB VAL A 33 3.362 -1.740 -1.083 1.00 41.31 H new ATOM 0 HG11 VAL A 33 5.454 -0.473 -0.743 1.00 5.21 H new ATOM 0 HG12 VAL A 33 5.629 -2.184 -0.285 1.00 5.21 H new ATOM 0 HG13 VAL A 33 6.305 -1.601 -1.825 1.00 5.21 H new ATOM 0 HG21 VAL A 33 3.878 0.197 -2.524 1.00 4.04 H new ATOM 0 HG22 VAL A 33 4.641 -0.894 -3.705 1.00 4.04 H new ATOM 0 HG23 VAL A 33 2.898 -1.023 -3.372 1.00 4.04 H new ATOM 590 N ILE A 34 1.849 -3.861 -2.635 1.00 53.34 N ATOM 591 CA ILE A 34 0.635 -4.168 -3.371 1.00 0.30 C ATOM 592 C ILE A 34 -0.484 -3.227 -2.916 1.00 63.12 C ATOM 593 O ILE A 34 -1.115 -3.461 -1.887 1.00 30.23 O ATOM 594 CB ILE A 34 0.286 -5.652 -3.232 1.00 40.20 C ATOM 595 CG1 ILE A 34 1.148 -6.508 -4.161 1.00 35.11 C ATOM 596 CG2 ILE A 34 -1.210 -5.886 -3.460 1.00 40.24 C ATOM 597 CD1 ILE A 34 0.946 -6.104 -5.624 1.00 42.24 C ATOM 0 H ILE A 34 1.756 -3.908 -1.620 1.00 53.34 H new ATOM 0 HA ILE A 34 0.782 -3.997 -4.437 1.00 0.30 H new ATOM 0 HB ILE A 34 0.509 -5.962 -2.211 1.00 40.20 H new ATOM 0 HG12 ILE A 34 2.198 -6.399 -3.892 1.00 35.11 H new ATOM 0 HG13 ILE A 34 0.894 -7.560 -4.032 1.00 35.11 H new ATOM 0 HG21 ILE A 34 -1.432 -6.948 -3.356 1.00 40.24 H new ATOM 0 HG22 ILE A 34 -1.783 -5.322 -2.724 1.00 40.24 H new ATOM 0 HG23 ILE A 34 -1.481 -5.555 -4.463 1.00 40.24 H new ATOM 0 HD11 ILE A 34 1.570 -6.728 -6.263 1.00 42.24 H new ATOM 0 HD12 ILE A 34 -0.101 -6.238 -5.897 1.00 42.24 H new ATOM 0 HD13 ILE A 34 1.224 -5.058 -5.754 1.00 42.24 H new ATOM 609 N ILE A 35 -0.695 -2.186 -3.707 1.00 13.32 N ATOM 610 CA ILE A 35 -1.725 -1.210 -3.398 1.00 43.02 C ATOM 611 C ILE A 35 -3.051 -1.662 -4.015 1.00 62.52 C ATOM 612 O ILE A 35 -3.185 -1.713 -5.237 1.00 31.22 O ATOM 613 CB ILE A 35 -1.288 0.189 -3.839 1.00 14.43 C ATOM 614 CG1 ILE A 35 0.198 0.415 -3.551 1.00 62.53 C ATOM 615 CG2 ILE A 35 -2.166 1.266 -3.198 1.00 64.40 C ATOM 616 CD1 ILE A 35 0.440 0.638 -2.057 1.00 12.23 C ATOM 0 H ILE A 35 -0.170 -1.997 -4.561 1.00 13.32 H new ATOM 0 HA ILE A 35 -1.878 -1.146 -2.321 1.00 43.02 H new ATOM 0 HB ILE A 35 -1.423 0.264 -4.918 1.00 14.43 H new ATOM 0 HG12 ILE A 35 0.773 -0.446 -3.891 1.00 62.53 H new ATOM 0 HG13 ILE A 35 0.554 1.278 -4.113 1.00 62.53 H new ATOM 0 HG21 ILE A 35 -1.834 2.250 -3.528 1.00 64.40 H new ATOM 0 HG22 ILE A 35 -3.204 1.114 -3.496 1.00 64.40 H new ATOM 0 HG23 ILE A 35 -2.087 1.202 -2.113 1.00 64.40 H new ATOM 0 HD11 ILE A 35 1.504 0.796 -1.880 1.00 12.23 H new ATOM 0 HD12 ILE A 35 -0.117 1.514 -1.725 1.00 12.23 H new ATOM 0 HD13 ILE A 35 0.106 -0.237 -1.500 1.00 12.23 H new ATOM 628 N GLU A 36 -3.996 -1.978 -3.142 1.00 14.05 N ATOM 629 CA GLU A 36 -5.306 -2.424 -3.585 1.00 10.15 C ATOM 630 C GLU A 36 -6.401 -1.549 -2.972 1.00 32.02 C ATOM 631 O GLU A 36 -6.187 -0.915 -1.939 1.00 33.43 O ATOM 632 CB GLU A 36 -5.527 -3.899 -3.245 1.00 14.40 C ATOM 633 CG GLU A 36 -4.540 -4.791 -4.002 1.00 64.41 C ATOM 634 CD GLU A 36 -4.532 -6.209 -3.428 1.00 73.35 C ATOM 635 OE1 GLU A 36 -3.582 -6.969 -3.669 1.00 11.42 O ATOM 636 OE2 GLU A 36 -5.557 -6.511 -2.706 1.00 2.44 O ATOM 0 H GLU A 36 -3.881 -1.934 -2.130 1.00 14.05 H new ATOM 0 HA GLU A 36 -5.354 -2.324 -4.669 1.00 10.15 H new ATOM 0 HB2 GLU A 36 -5.410 -4.050 -2.172 1.00 14.40 H new ATOM 0 HB3 GLU A 36 -6.548 -4.185 -3.497 1.00 14.40 H new ATOM 0 HG2 GLU A 36 -4.809 -4.824 -5.058 1.00 64.41 H new ATOM 0 HG3 GLU A 36 -3.539 -4.365 -3.942 1.00 64.41 H new ATOM 644 N ARG A 37 -7.548 -1.542 -3.633 1.00 33.23 N ATOM 645 CA ARG A 37 -8.677 -0.755 -3.165 1.00 73.24 C ATOM 646 C ARG A 37 -9.272 -1.380 -1.902 1.00 64.52 C ATOM 647 O ARG A 37 -9.340 -2.602 -1.783 1.00 12.04 O ATOM 648 CB ARG A 37 -9.762 -0.657 -4.238 1.00 51.13 C ATOM 649 CG ARG A 37 -10.411 -2.021 -4.488 1.00 1.41 C ATOM 650 CD ARG A 37 -10.810 -2.177 -5.957 1.00 24.11 C ATOM 651 NE ARG A 37 -12.285 -2.177 -6.083 1.00 34.33 N ATOM 652 CZ ARG A 37 -12.946 -2.414 -7.235 1.00 70.24 C ATOM 653 NH1 ARG A 37 -12.266 -2.674 -8.374 1.00 72.20 N ATOM 654 NH2 ARG A 37 -14.266 -2.390 -7.234 1.00 44.03 N ATOM 0 H ARG A 37 -7.721 -2.069 -4.489 1.00 33.23 H new ATOM 0 HA ARG A 37 -8.313 0.248 -2.941 1.00 73.24 H new ATOM 0 HB2 ARG A 37 -10.522 0.060 -3.927 1.00 51.13 H new ATOM 0 HB3 ARG A 37 -9.329 -0.281 -5.165 1.00 51.13 H new ATOM 0 HG2 ARG A 37 -9.717 -2.814 -4.210 1.00 1.41 H new ATOM 0 HG3 ARG A 37 -11.291 -2.131 -3.855 1.00 1.41 H new ATOM 0 HD2 ARG A 37 -10.386 -1.364 -6.546 1.00 24.11 H new ATOM 0 HD3 ARG A 37 -10.402 -3.106 -6.357 1.00 24.11 H new ATOM 0 HE ARG A 37 -12.836 -1.986 -5.246 1.00 34.33 H new ATOM 0 HH11 ARG A 37 -11.246 -2.692 -8.366 1.00 72.20 H new ATOM 0 HH12 ARG A 37 -12.773 -2.852 -9.241 1.00 72.20 H new ATOM 0 HH21 ARG A 37 -14.772 -2.194 -6.370 1.00 44.03 H new ATOM 0 HH22 ARG A 37 -14.780 -2.567 -8.097 1.00 44.03 H new ATOM 667 N TYR A 38 -9.687 -0.512 -0.990 1.00 2.33 N ATOM 668 CA TYR A 38 -10.275 -0.964 0.260 1.00 20.32 C ATOM 669 C TYR A 38 -11.595 -1.697 0.011 1.00 54.11 C ATOM 670 O TYR A 38 -12.399 -1.272 -0.818 1.00 13.01 O ATOM 671 CB TYR A 38 -10.552 0.300 1.076 1.00 12.43 C ATOM 672 CG TYR A 38 -11.670 0.141 2.108 1.00 11.11 C ATOM 673 CD1 TYR A 38 -12.990 0.183 1.708 1.00 12.43 C ATOM 674 CD2 TYR A 38 -11.359 -0.046 3.440 1.00 42.23 C ATOM 675 CE1 TYR A 38 -14.044 0.033 2.679 1.00 53.35 C ATOM 676 CE2 TYR A 38 -12.412 -0.195 4.411 1.00 42.11 C ATOM 677 CZ TYR A 38 -13.702 -0.149 3.983 1.00 23.24 C ATOM 678 OH TYR A 38 -14.696 -0.290 4.900 1.00 23.44 O ATOM 0 H TYR A 38 -9.628 0.501 -1.092 1.00 2.33 H new ATOM 0 HA TYR A 38 -9.605 -1.654 0.773 1.00 20.32 H new ATOM 0 HB2 TYR A 38 -9.637 0.597 1.589 1.00 12.43 H new ATOM 0 HB3 TYR A 38 -10.813 1.110 0.395 1.00 12.43 H new ATOM 0 HD1 TYR A 38 -13.233 0.328 0.666 1.00 12.43 H new ATOM 0 HD2 TYR A 38 -10.326 -0.081 3.754 1.00 42.23 H new ATOM 0 HE1 TYR A 38 -15.081 0.064 2.379 1.00 53.35 H new ATOM 0 HE2 TYR A 38 -12.182 -0.340 5.456 1.00 42.11 H new ATOM 0 HH TYR A 38 -14.305 -0.414 5.790 1.00 23.44 H new ATOM 688 N LYS A 39 -11.778 -2.784 0.745 1.00 73.55 N ATOM 689 CA LYS A 39 -12.987 -3.580 0.615 1.00 43.43 C ATOM 690 C LYS A 39 -14.207 -2.692 0.870 1.00 21.11 C ATOM 691 O LYS A 39 -14.550 -2.417 2.019 1.00 3.42 O ATOM 692 CB LYS A 39 -12.921 -4.808 1.525 1.00 73.41 C ATOM 693 CG LYS A 39 -12.772 -4.398 2.992 1.00 61.13 C ATOM 694 CD LYS A 39 -12.417 -5.602 3.865 1.00 10.22 C ATOM 695 CE LYS A 39 -13.679 -6.272 4.415 1.00 52.01 C ATOM 696 NZ LYS A 39 -14.202 -5.517 5.575 1.00 32.44 N ATOM 0 H LYS A 39 -11.110 -3.133 1.432 1.00 73.55 H new ATOM 0 HA LYS A 39 -13.080 -3.968 -0.399 1.00 43.43 H new ATOM 0 HB2 LYS A 39 -13.824 -5.406 1.401 1.00 73.41 H new ATOM 0 HB3 LYS A 39 -12.080 -5.437 1.232 1.00 73.41 H new ATOM 0 HG2 LYS A 39 -11.997 -3.637 3.084 1.00 61.13 H new ATOM 0 HG3 LYS A 39 -13.701 -3.950 3.344 1.00 61.13 H new ATOM 0 HD2 LYS A 39 -11.843 -6.322 3.282 1.00 10.22 H new ATOM 0 HD3 LYS A 39 -11.781 -5.282 4.691 1.00 10.22 H new ATOM 0 HE2 LYS A 39 -14.439 -6.325 3.635 1.00 52.01 H new ATOM 0 HE3 LYS A 39 -13.454 -7.297 4.712 1.00 52.01 H new ATOM 0 HZ1 LYS A 39 -15.028 -6.012 5.968 1.00 32.44 H new ATOM 0 HZ2 LYS A 39 -13.463 -5.444 6.304 1.00 32.44 H new ATOM 0 HZ3 LYS A 39 -14.483 -4.563 5.270 1.00 32.44 H new ATOM 709 N GLY A 40 -14.829 -2.268 -0.220 1.00 74.45 N ATOM 710 CA GLY A 40 -16.003 -1.417 -0.130 1.00 3.24 C ATOM 711 C GLY A 40 -15.670 0.021 -0.536 1.00 12.21 C ATOM 712 O GLY A 40 -16.417 0.946 -0.222 1.00 40.33 O ATOM 0 H GLY A 40 -14.542 -2.498 -1.171 1.00 74.45 H new ATOM 0 HA2 GLY A 40 -16.790 -1.808 -0.775 1.00 3.24 H new ATOM 0 HA3 GLY A 40 -16.389 -1.431 0.889 1.00 3.24 H new ATOM 716 N GLU A 41 -14.549 0.162 -1.228 1.00 33.32 N ATOM 717 CA GLU A 41 -14.109 1.471 -1.680 1.00 32.55 C ATOM 718 C GLU A 41 -14.389 1.638 -3.175 1.00 20.11 C ATOM 719 O GLU A 41 -13.736 1.009 -4.007 1.00 31.05 O ATOM 720 CB GLU A 41 -12.626 1.686 -1.373 1.00 62.14 C ATOM 721 CG GLU A 41 -12.052 2.827 -2.215 1.00 52.41 C ATOM 722 CD GLU A 41 -12.814 4.131 -1.965 1.00 41.41 C ATOM 723 OE1 GLU A 41 -13.596 4.566 -2.823 1.00 62.12 O ATOM 724 OE2 GLU A 41 -12.570 4.696 -0.831 1.00 34.32 O ATOM 0 H GLU A 41 -13.932 -0.608 -1.487 1.00 33.32 H new ATOM 0 HA GLU A 41 -14.673 2.230 -1.138 1.00 32.55 H new ATOM 0 HB2 GLU A 41 -12.499 1.911 -0.314 1.00 62.14 H new ATOM 0 HB3 GLU A 41 -12.073 0.768 -1.572 1.00 62.14 H new ATOM 0 HG2 GLU A 41 -10.998 2.966 -1.975 1.00 52.41 H new ATOM 0 HG3 GLU A 41 -12.107 2.567 -3.272 1.00 52.41 H new ATOM 732 N LYS A 42 -15.361 2.489 -3.471 1.00 64.40 N ATOM 733 CA LYS A 42 -15.736 2.747 -4.851 1.00 2.11 C ATOM 734 C LYS A 42 -15.425 4.205 -5.195 1.00 14.01 C ATOM 735 O LYS A 42 -15.003 4.507 -6.310 1.00 33.23 O ATOM 736 CB LYS A 42 -17.194 2.356 -5.092 1.00 13.31 C ATOM 737 CG LYS A 42 -18.090 2.846 -3.951 1.00 45.50 C ATOM 738 CD LYS A 42 -18.125 1.831 -2.807 1.00 43.25 C ATOM 739 CE LYS A 42 -19.308 0.873 -2.961 1.00 4.32 C ATOM 740 NZ LYS A 42 -20.569 1.540 -2.566 1.00 23.20 N ATOM 0 H LYS A 42 -15.900 3.009 -2.778 1.00 64.40 H new ATOM 0 HA LYS A 42 -15.148 2.127 -5.528 1.00 2.11 H new ATOM 0 HB2 LYS A 42 -17.537 2.780 -6.036 1.00 13.31 H new ATOM 0 HB3 LYS A 42 -17.274 1.273 -5.182 1.00 13.31 H new ATOM 0 HG2 LYS A 42 -17.723 3.804 -3.581 1.00 45.50 H new ATOM 0 HG3 LYS A 42 -19.100 3.014 -4.324 1.00 45.50 H new ATOM 0 HD2 LYS A 42 -17.194 1.265 -2.790 1.00 43.25 H new ATOM 0 HD3 LYS A 42 -18.198 2.354 -1.854 1.00 43.25 H new ATOM 0 HE2 LYS A 42 -19.377 0.534 -3.995 1.00 4.32 H new ATOM 0 HE3 LYS A 42 -19.149 -0.012 -2.345 1.00 4.32 H new ATOM 0 HZ1 LYS A 42 -21.321 0.829 -2.463 1.00 23.20 H new ATOM 0 HZ2 LYS A 42 -20.432 2.032 -1.660 1.00 23.20 H new ATOM 0 HZ3 LYS A 42 -20.841 2.228 -3.297 1.00 23.20 H new ATOM 753 N GLN A 43 -15.646 5.070 -4.216 1.00 63.45 N ATOM 754 CA GLN A 43 -15.394 6.489 -4.402 1.00 43.21 C ATOM 755 C GLN A 43 -14.123 6.700 -5.228 1.00 65.15 C ATOM 756 O GLN A 43 -14.195 6.985 -6.422 1.00 23.23 O ATOM 757 CB GLN A 43 -15.299 7.210 -3.055 1.00 65.43 C ATOM 758 CG GLN A 43 -16.690 7.511 -2.494 1.00 61.32 C ATOM 759 CD GLN A 43 -16.602 8.030 -1.058 1.00 0.41 C ATOM 760 OE1 GLN A 43 -15.935 9.008 -0.764 1.00 34.35 O ATOM 761 NE2 GLN A 43 -17.310 7.321 -0.183 1.00 61.50 N ATOM 0 H GLN A 43 -15.996 4.816 -3.292 1.00 63.45 H new ATOM 0 HA GLN A 43 -16.234 6.918 -4.949 1.00 43.21 H new ATOM 0 HB2 GLN A 43 -14.743 6.594 -2.348 1.00 65.43 H new ATOM 0 HB3 GLN A 43 -14.742 8.140 -3.175 1.00 65.43 H new ATOM 0 HG2 GLN A 43 -17.187 8.251 -3.122 1.00 61.32 H new ATOM 0 HG3 GLN A 43 -17.300 6.608 -2.521 1.00 61.32 H new ATOM 0 HE21 GLN A 43 -17.847 6.513 -0.497 1.00 61.50 H new ATOM 0 HE22 GLN A 43 -17.316 7.586 0.802 1.00 61.50 H new ATOM 770 N LEU A 44 -12.990 6.552 -4.558 1.00 70.13 N ATOM 771 CA LEU A 44 -11.705 6.722 -5.215 1.00 74.32 C ATOM 772 C LEU A 44 -11.603 5.746 -6.389 1.00 11.20 C ATOM 773 O LEU A 44 -12.199 4.669 -6.359 1.00 43.35 O ATOM 774 CB LEU A 44 -10.564 6.590 -4.205 1.00 23.41 C ATOM 775 CG LEU A 44 -10.421 7.736 -3.200 1.00 52.12 C ATOM 776 CD1 LEU A 44 -9.997 7.212 -1.827 1.00 50.33 C ATOM 777 CD2 LEU A 44 -9.464 8.808 -3.725 1.00 10.25 C ATOM 0 H LEU A 44 -12.935 6.316 -3.567 1.00 70.13 H new ATOM 0 HA LEU A 44 -11.619 7.727 -5.628 1.00 74.32 H new ATOM 0 HB2 LEU A 44 -10.702 5.662 -3.650 1.00 23.41 H new ATOM 0 HB3 LEU A 44 -9.628 6.497 -4.755 1.00 23.41 H new ATOM 0 HG LEU A 44 -11.396 8.207 -3.077 1.00 52.12 H new ATOM 0 HD11 LEU A 44 -9.903 8.047 -1.132 1.00 50.33 H new ATOM 0 HD12 LEU A 44 -10.748 6.514 -1.456 1.00 50.33 H new ATOM 0 HD13 LEU A 44 -9.038 6.701 -1.913 1.00 50.33 H new ATOM 0 HD21 LEU A 44 -9.380 9.611 -2.993 1.00 10.25 H new ATOM 0 HD22 LEU A 44 -8.482 8.367 -3.895 1.00 10.25 H new ATOM 0 HD23 LEU A 44 -9.848 9.211 -4.662 1.00 10.25 H new ATOM 789 N PRO A 45 -10.825 6.166 -7.421 1.00 31.11 N ATOM 790 CA PRO A 45 -10.637 5.341 -8.602 1.00 72.02 C ATOM 791 C PRO A 45 -9.687 4.178 -8.313 1.00 4.31 C ATOM 792 O PRO A 45 -9.016 4.162 -7.283 1.00 31.03 O ATOM 793 CB PRO A 45 -10.110 6.290 -9.666 1.00 14.10 C ATOM 794 CG PRO A 45 -9.583 7.503 -8.918 1.00 24.31 C ATOM 795 CD PRO A 45 -10.104 7.435 -7.492 1.00 12.34 C ATOM 0 HA PRO A 45 -11.560 4.866 -8.934 1.00 72.02 H new ATOM 0 HB2 PRO A 45 -9.321 5.820 -10.253 1.00 14.10 H new ATOM 0 HB3 PRO A 45 -10.899 6.573 -10.362 1.00 14.10 H new ATOM 0 HG2 PRO A 45 -8.493 7.512 -8.926 1.00 24.31 H new ATOM 0 HG3 PRO A 45 -9.913 8.422 -9.401 1.00 24.31 H new ATOM 0 HD2 PRO A 45 -9.288 7.468 -6.770 1.00 12.34 H new ATOM 0 HD3 PRO A 45 -10.760 8.276 -7.270 1.00 12.34 H new ATOM 803 N VAL A 46 -9.658 3.233 -9.242 1.00 55.41 N ATOM 804 CA VAL A 46 -8.800 2.070 -9.100 1.00 62.40 C ATOM 805 C VAL A 46 -7.380 2.433 -9.536 1.00 24.11 C ATOM 806 O VAL A 46 -7.154 2.796 -10.689 1.00 23.43 O ATOM 807 CB VAL A 46 -9.383 0.892 -9.884 1.00 71.25 C ATOM 808 CG1 VAL A 46 -8.437 -0.311 -9.850 1.00 21.34 C ATOM 809 CG2 VAL A 46 -10.768 0.514 -9.356 1.00 2.32 C ATOM 0 H VAL A 46 -10.215 3.250 -10.096 1.00 55.41 H new ATOM 0 HA VAL A 46 -8.750 1.757 -8.057 1.00 62.40 H new ATOM 0 HB VAL A 46 -9.493 1.203 -10.923 1.00 71.25 H new ATOM 0 HG11 VAL A 46 -8.875 -1.134 -10.414 1.00 21.34 H new ATOM 0 HG12 VAL A 46 -7.481 -0.035 -10.294 1.00 21.34 H new ATOM 0 HG13 VAL A 46 -8.281 -0.622 -8.817 1.00 21.34 H new ATOM 0 HG21 VAL A 46 -11.160 -0.326 -9.930 1.00 2.32 H new ATOM 0 HG22 VAL A 46 -10.692 0.232 -8.306 1.00 2.32 H new ATOM 0 HG23 VAL A 46 -11.440 1.366 -9.455 1.00 2.32 H new ATOM 819 N LEU A 47 -6.459 2.323 -8.589 1.00 70.21 N ATOM 820 CA LEU A 47 -5.066 2.637 -8.861 1.00 52.54 C ATOM 821 C LEU A 47 -4.674 2.059 -10.222 1.00 0.41 C ATOM 822 O LEU A 47 -5.138 0.984 -10.602 1.00 44.05 O ATOM 823 CB LEU A 47 -4.176 2.159 -7.712 1.00 21.34 C ATOM 824 CG LEU A 47 -3.043 3.104 -7.305 1.00 14.51 C ATOM 825 CD1 LEU A 47 -2.298 3.628 -8.533 1.00 51.34 C ATOM 826 CD2 LEU A 47 -3.565 4.239 -6.422 1.00 2.31 C ATOM 0 H LEU A 47 -6.650 2.021 -7.634 1.00 70.21 H new ATOM 0 HA LEU A 47 -4.923 3.716 -8.919 1.00 52.54 H new ATOM 0 HB2 LEU A 47 -4.806 1.982 -6.840 1.00 21.34 H new ATOM 0 HB3 LEU A 47 -3.740 1.200 -7.991 1.00 21.34 H new ATOM 0 HG LEU A 47 -2.325 2.539 -6.710 1.00 14.51 H new ATOM 0 HD11 LEU A 47 -1.498 4.297 -8.215 1.00 51.34 H new ATOM 0 HD12 LEU A 47 -1.872 2.790 -9.085 1.00 51.34 H new ATOM 0 HD13 LEU A 47 -2.992 4.171 -9.175 1.00 51.34 H new ATOM 0 HD21 LEU A 47 -2.739 4.895 -6.147 1.00 2.31 H new ATOM 0 HD22 LEU A 47 -4.316 4.810 -6.969 1.00 2.31 H new ATOM 0 HD23 LEU A 47 -4.012 3.822 -5.520 1.00 2.31 H new ATOM 838 N ASP A 48 -3.823 2.796 -10.919 1.00 34.23 N ATOM 839 CA ASP A 48 -3.363 2.370 -12.232 1.00 65.12 C ATOM 840 C ASP A 48 -2.967 0.893 -12.173 1.00 61.25 C ATOM 841 O ASP A 48 -3.314 0.119 -13.063 1.00 1.55 O ATOM 842 CB ASP A 48 -2.137 3.172 -12.672 1.00 32.20 C ATOM 843 CG ASP A 48 -1.389 2.599 -13.878 1.00 54.14 C ATOM 844 OD1 ASP A 48 -1.952 1.830 -14.672 1.00 11.32 O ATOM 845 OD2 ASP A 48 -0.161 2.978 -13.987 1.00 33.14 O ATOM 0 H ASP A 48 -3.439 3.686 -10.601 1.00 34.23 H new ATOM 0 HA ASP A 48 -4.173 2.531 -12.943 1.00 65.12 H new ATOM 0 HB2 ASP A 48 -2.452 4.189 -12.908 1.00 32.20 H new ATOM 0 HB3 ASP A 48 -1.445 3.239 -11.833 1.00 32.20 H new ATOM 851 N LYS A 49 -2.245 0.548 -11.116 1.00 34.30 N ATOM 852 CA LYS A 49 -1.798 -0.821 -10.931 1.00 13.11 C ATOM 853 C LYS A 49 -1.704 -1.123 -9.434 1.00 55.44 C ATOM 854 O LYS A 49 -2.083 -0.298 -8.605 1.00 64.03 O ATOM 855 CB LYS A 49 -0.493 -1.066 -11.692 1.00 53.23 C ATOM 856 CG LYS A 49 0.494 0.082 -11.471 1.00 52.12 C ATOM 857 CD LYS A 49 0.985 0.646 -12.806 1.00 15.23 C ATOM 858 CE LYS A 49 2.154 -0.176 -13.352 1.00 51.44 C ATOM 859 NZ LYS A 49 1.730 -0.960 -14.533 1.00 4.25 N ATOM 0 H LYS A 49 -1.959 1.193 -10.380 1.00 34.30 H new ATOM 0 HA LYS A 49 -2.521 -1.519 -11.353 1.00 13.11 H new ATOM 0 HB2 LYS A 49 -0.046 -2.004 -11.362 1.00 53.23 H new ATOM 0 HB3 LYS A 49 -0.703 -1.170 -12.757 1.00 53.23 H new ATOM 0 HG2 LYS A 49 0.015 0.872 -10.892 1.00 52.12 H new ATOM 0 HG3 LYS A 49 1.344 -0.271 -10.887 1.00 52.12 H new ATOM 0 HD2 LYS A 49 0.168 0.646 -13.527 1.00 15.23 H new ATOM 0 HD3 LYS A 49 1.295 1.683 -12.675 1.00 15.23 H new ATOM 0 HE2 LYS A 49 2.976 0.486 -13.624 1.00 51.44 H new ATOM 0 HE3 LYS A 49 2.527 -0.847 -12.578 1.00 51.44 H new ATOM 0 HZ1 LYS A 49 2.536 -1.512 -14.891 1.00 4.25 H new ATOM 0 HZ2 LYS A 49 0.961 -1.606 -14.263 1.00 4.25 H new ATOM 0 HZ3 LYS A 49 1.395 -0.314 -15.276 1.00 4.25 H new ATOM 872 N THR A 50 -1.197 -2.311 -9.133 1.00 62.40 N ATOM 873 CA THR A 50 -1.048 -2.732 -7.751 1.00 12.42 C ATOM 874 C THR A 50 0.433 -2.862 -7.389 1.00 13.32 C ATOM 875 O THR A 50 0.804 -2.736 -6.223 1.00 13.53 O ATOM 876 CB THR A 50 -1.834 -4.032 -7.566 1.00 64.23 C ATOM 877 OG1 THR A 50 -3.004 -3.845 -8.359 1.00 33.22 O ATOM 878 CG2 THR A 50 -2.370 -4.194 -6.142 1.00 4.14 C ATOM 0 H THR A 50 -0.885 -2.994 -9.823 1.00 62.40 H new ATOM 0 HA THR A 50 -1.454 -1.988 -7.065 1.00 12.42 H new ATOM 0 HB THR A 50 -1.196 -4.881 -7.812 1.00 64.23 H new ATOM 0 HG1 THR A 50 -3.571 -4.642 -8.299 1.00 33.22 H new ATOM 0 HG21 THR A 50 -2.920 -5.132 -6.065 1.00 4.14 H new ATOM 0 HG22 THR A 50 -1.537 -4.202 -5.439 1.00 4.14 H new ATOM 0 HG23 THR A 50 -3.035 -3.363 -5.907 1.00 4.14 H new ATOM 886 N LYS A 51 1.239 -3.109 -8.411 1.00 63.11 N ATOM 887 CA LYS A 51 2.672 -3.257 -8.215 1.00 2.24 C ATOM 888 C LYS A 51 3.337 -1.881 -8.295 1.00 2.53 C ATOM 889 O LYS A 51 3.116 -1.135 -9.248 1.00 22.21 O ATOM 890 CB LYS A 51 3.245 -4.276 -9.202 1.00 62.34 C ATOM 891 CG LYS A 51 2.464 -5.590 -9.150 1.00 12.21 C ATOM 892 CD LYS A 51 3.407 -6.792 -9.218 1.00 14.34 C ATOM 893 CE LYS A 51 3.489 -7.343 -10.644 1.00 70.11 C ATOM 894 NZ LYS A 51 4.709 -8.164 -10.813 1.00 74.50 N ATOM 0 H LYS A 51 0.928 -3.210 -9.377 1.00 63.11 H new ATOM 0 HA LYS A 51 2.883 -3.656 -7.223 1.00 2.24 H new ATOM 0 HB2 LYS A 51 3.210 -3.868 -10.212 1.00 62.34 H new ATOM 0 HB3 LYS A 51 4.293 -4.463 -8.970 1.00 62.34 H new ATOM 0 HG2 LYS A 51 1.880 -5.634 -8.231 1.00 12.21 H new ATOM 0 HG3 LYS A 51 1.758 -5.630 -9.979 1.00 12.21 H new ATOM 0 HD2 LYS A 51 4.401 -6.499 -8.880 1.00 14.34 H new ATOM 0 HD3 LYS A 51 3.057 -7.572 -8.542 1.00 14.34 H new ATOM 0 HE2 LYS A 51 2.606 -7.945 -10.859 1.00 70.11 H new ATOM 0 HE3 LYS A 51 3.496 -6.520 -11.358 1.00 70.11 H new ATOM 0 HZ1 LYS A 51 4.562 -8.851 -11.580 1.00 74.50 H new ATOM 0 HZ2 LYS A 51 5.512 -7.547 -11.050 1.00 74.50 H new ATOM 0 HZ3 LYS A 51 4.911 -8.672 -9.928 1.00 74.50 H new ATOM 907 N PHE A 52 4.139 -1.588 -7.282 1.00 55.52 N ATOM 908 CA PHE A 52 4.838 -0.316 -7.226 1.00 12.53 C ATOM 909 C PHE A 52 6.262 -0.495 -6.696 1.00 23.41 C ATOM 910 O PHE A 52 6.469 -1.130 -5.664 1.00 20.35 O ATOM 911 CB PHE A 52 4.058 0.581 -6.262 1.00 64.54 C ATOM 912 CG PHE A 52 2.640 0.916 -6.732 1.00 42.21 C ATOM 913 CD1 PHE A 52 1.608 0.086 -6.423 1.00 50.44 C ATOM 914 CD2 PHE A 52 2.413 2.043 -7.458 1.00 55.41 C ATOM 915 CE1 PHE A 52 0.293 0.396 -6.860 1.00 5.33 C ATOM 916 CE2 PHE A 52 1.098 2.352 -7.894 1.00 50.35 C ATOM 917 CZ PHE A 52 0.065 1.523 -7.585 1.00 13.42 C ATOM 0 H PHE A 52 4.320 -2.210 -6.494 1.00 55.52 H new ATOM 0 HA PHE A 52 4.902 0.117 -8.224 1.00 12.53 H new ATOM 0 HB2 PHE A 52 4.001 0.090 -5.291 1.00 64.54 H new ATOM 0 HB3 PHE A 52 4.611 1.509 -6.118 1.00 64.54 H new ATOM 0 HD1 PHE A 52 1.789 -0.809 -5.845 1.00 50.44 H new ATOM 0 HD2 PHE A 52 3.233 2.702 -7.703 1.00 55.41 H new ATOM 0 HE1 PHE A 52 -0.526 -0.264 -6.616 1.00 5.33 H new ATOM 0 HE2 PHE A 52 0.918 3.246 -8.472 1.00 50.35 H new ATOM 0 HZ PHE A 52 -0.936 1.760 -7.915 1.00 13.42 H new ATOM 927 N LEU A 53 7.207 0.075 -7.428 1.00 0.05 N ATOM 928 CA LEU A 53 8.606 -0.013 -7.046 1.00 15.10 C ATOM 929 C LEU A 53 9.002 1.249 -6.277 1.00 53.33 C ATOM 930 O LEU A 53 9.188 2.310 -6.872 1.00 23.21 O ATOM 931 CB LEU A 53 9.481 -0.287 -8.271 1.00 22.22 C ATOM 932 CG LEU A 53 9.271 -1.638 -8.956 1.00 23.31 C ATOM 933 CD1 LEU A 53 10.588 -2.176 -9.521 1.00 34.22 C ATOM 934 CD2 LEU A 53 8.604 -2.637 -8.008 1.00 70.04 C ATOM 0 H LEU A 53 7.031 0.600 -8.285 1.00 0.05 H new ATOM 0 HA LEU A 53 8.764 -0.858 -6.375 1.00 15.10 H new ATOM 0 HB2 LEU A 53 9.303 0.501 -9.003 1.00 22.22 H new ATOM 0 HB3 LEU A 53 10.526 -0.213 -7.970 1.00 22.22 H new ATOM 0 HG LEU A 53 8.594 -1.492 -9.798 1.00 23.31 H new ATOM 0 HD11 LEU A 53 10.411 -3.138 -10.003 1.00 34.22 H new ATOM 0 HD12 LEU A 53 10.985 -1.471 -10.252 1.00 34.22 H new ATOM 0 HD13 LEU A 53 11.307 -2.303 -8.711 1.00 34.22 H new ATOM 0 HD21 LEU A 53 8.467 -3.589 -8.521 1.00 70.04 H new ATOM 0 HD22 LEU A 53 9.235 -2.785 -7.132 1.00 70.04 H new ATOM 0 HD23 LEU A 53 7.634 -2.250 -7.695 1.00 70.04 H new ATOM 946 N VAL A 54 9.120 1.094 -4.967 1.00 12.25 N ATOM 947 CA VAL A 54 9.490 2.207 -4.111 1.00 54.11 C ATOM 948 C VAL A 54 10.966 2.084 -3.730 1.00 53.14 C ATOM 949 O VAL A 54 11.468 0.979 -3.527 1.00 2.34 O ATOM 950 CB VAL A 54 8.561 2.265 -2.896 1.00 50.23 C ATOM 951 CG1 VAL A 54 8.394 0.880 -2.268 1.00 52.41 C ATOM 952 CG2 VAL A 54 9.069 3.276 -1.866 1.00 33.12 C ATOM 0 H VAL A 54 8.966 0.213 -4.477 1.00 12.25 H new ATOM 0 HA VAL A 54 9.369 3.152 -4.641 1.00 54.11 H new ATOM 0 HB VAL A 54 7.581 2.598 -3.238 1.00 50.23 H new ATOM 0 HG11 VAL A 54 7.729 0.949 -1.407 1.00 52.41 H new ATOM 0 HG12 VAL A 54 7.967 0.197 -3.002 1.00 52.41 H new ATOM 0 HG13 VAL A 54 9.366 0.506 -1.947 1.00 52.41 H new ATOM 0 HG21 VAL A 54 8.391 3.298 -1.013 1.00 33.12 H new ATOM 0 HG22 VAL A 54 10.065 2.985 -1.531 1.00 33.12 H new ATOM 0 HG23 VAL A 54 9.114 4.266 -2.319 1.00 33.12 H new ATOM 962 N PRO A 55 11.639 3.263 -3.643 1.00 45.33 N ATOM 963 CA PRO A 55 13.048 3.297 -3.290 1.00 0.21 C ATOM 964 C PRO A 55 13.245 3.035 -1.796 1.00 50.22 C ATOM 965 O PRO A 55 12.521 3.580 -0.965 1.00 54.10 O ATOM 966 CB PRO A 55 13.527 4.674 -3.720 1.00 72.21 C ATOM 967 CG PRO A 55 12.276 5.524 -3.869 1.00 64.33 C ATOM 968 CD PRO A 55 11.077 4.590 -3.878 1.00 22.13 C ATOM 0 HA PRO A 55 13.625 2.516 -3.785 1.00 0.21 H new ATOM 0 HB2 PRO A 55 14.203 5.101 -2.979 1.00 72.21 H new ATOM 0 HB3 PRO A 55 14.077 4.620 -4.660 1.00 72.21 H new ATOM 0 HG2 PRO A 55 12.199 6.237 -3.048 1.00 64.33 H new ATOM 0 HG3 PRO A 55 12.316 6.103 -4.791 1.00 64.33 H new ATOM 0 HD2 PRO A 55 10.360 4.859 -3.103 1.00 22.13 H new ATOM 0 HD3 PRO A 55 10.548 4.633 -4.830 1.00 22.13 H new ATOM 976 N ASP A 56 14.230 2.199 -1.500 1.00 15.23 N ATOM 977 CA ASP A 56 14.532 1.857 -0.121 1.00 24.22 C ATOM 978 C ASP A 56 15.511 2.885 0.452 1.00 33.22 C ATOM 979 O ASP A 56 16.500 2.519 1.086 1.00 24.04 O ATOM 980 CB ASP A 56 15.185 0.477 -0.025 1.00 14.44 C ATOM 981 CG ASP A 56 16.657 0.428 -0.440 1.00 63.42 C ATOM 982 OD1 ASP A 56 17.004 0.707 -1.597 1.00 73.21 O ATOM 983 OD2 ASP A 56 17.476 0.082 0.496 1.00 53.21 O ATOM 0 H ASP A 56 14.829 1.749 -2.192 1.00 15.23 H new ATOM 0 HA ASP A 56 13.596 1.852 0.438 1.00 24.22 H new ATOM 0 HB2 ASP A 56 15.101 0.122 1.002 1.00 14.44 H new ATOM 0 HB3 ASP A 56 14.624 -0.218 -0.649 1.00 14.44 H new ATOM 989 N HIS A 57 15.202 4.149 0.208 1.00 42.54 N ATOM 990 CA HIS A 57 16.042 5.232 0.691 1.00 33.12 C ATOM 991 C HIS A 57 15.180 6.464 0.973 1.00 34.15 C ATOM 992 O HIS A 57 15.681 7.588 0.984 1.00 74.42 O ATOM 993 CB HIS A 57 17.180 5.516 -0.291 1.00 42.14 C ATOM 994 CG HIS A 57 16.843 6.552 -1.337 1.00 61.13 C ATOM 995 ND1 HIS A 57 15.551 6.785 -1.774 1.00 2.30 N ATOM 996 CD2 HIS A 57 17.644 7.415 -2.028 1.00 44.01 C ATOM 997 CE1 HIS A 57 15.584 7.745 -2.686 1.00 52.24 C ATOM 998 NE2 HIS A 57 16.882 8.133 -2.843 1.00 2.34 N ATOM 0 H HIS A 57 14.381 4.448 -0.318 1.00 42.54 H new ATOM 0 HA HIS A 57 16.514 4.940 1.629 1.00 33.12 H new ATOM 0 HB2 HIS A 57 18.054 5.850 0.268 1.00 42.14 H new ATOM 0 HB3 HIS A 57 17.456 4.587 -0.790 1.00 42.14 H new ATOM 0 HD2 HIS A 57 18.716 7.499 -1.928 1.00 44.01 H new ATOM 0 HE1 HIS A 57 14.732 8.150 -3.213 1.00 52.24 H new ATOM 0 HE2 HIS A 57 17.213 8.856 -3.482 1.00 2.34 H new ATOM 1006 N VAL A 58 13.898 6.212 1.194 1.00 51.30 N ATOM 1007 CA VAL A 58 12.962 7.287 1.475 1.00 21.42 C ATOM 1008 C VAL A 58 12.076 6.889 2.658 1.00 52.34 C ATOM 1009 O VAL A 58 12.375 5.930 3.366 1.00 3.12 O ATOM 1010 CB VAL A 58 12.161 7.626 0.216 1.00 42.54 C ATOM 1011 CG1 VAL A 58 13.080 8.125 -0.901 1.00 63.40 C ATOM 1012 CG2 VAL A 58 11.336 6.424 -0.250 1.00 52.14 C ATOM 0 H VAL A 58 13.486 5.279 1.184 1.00 51.30 H new ATOM 0 HA VAL A 58 13.496 8.194 1.759 1.00 21.42 H new ATOM 0 HB VAL A 58 11.470 8.431 0.466 1.00 42.54 H new ATOM 0 HG11 VAL A 58 12.485 8.359 -1.784 1.00 63.40 H new ATOM 0 HG12 VAL A 58 13.604 9.021 -0.568 1.00 63.40 H new ATOM 0 HG13 VAL A 58 13.807 7.351 -1.147 1.00 63.40 H new ATOM 0 HG21 VAL A 58 10.776 6.692 -1.146 1.00 52.14 H new ATOM 0 HG22 VAL A 58 12.002 5.590 -0.474 1.00 52.14 H new ATOM 0 HG23 VAL A 58 10.641 6.132 0.538 1.00 52.14 H new ATOM 1022 N ASN A 59 11.004 7.647 2.833 1.00 3.10 N ATOM 1023 CA ASN A 59 10.073 7.386 3.918 1.00 53.34 C ATOM 1024 C ASN A 59 8.729 6.944 3.335 1.00 32.55 C ATOM 1025 O ASN A 59 8.341 7.385 2.254 1.00 53.32 O ATOM 1026 CB ASN A 59 9.834 8.645 4.755 1.00 31.55 C ATOM 1027 CG ASN A 59 10.235 9.902 3.979 1.00 54.00 C ATOM 1028 OD1 ASN A 59 9.252 10.424 3.250 1.00 22.23 O flip ATOM 1029 ND2 ASN A 59 11.361 10.367 4.039 1.00 14.31 N flip ATOM 0 H ASN A 59 10.759 8.442 2.242 1.00 3.10 H new ATOM 0 HA ASN A 59 10.502 6.609 4.551 1.00 53.34 H new ATOM 0 HB2 ASN A 59 8.782 8.706 5.035 1.00 31.55 H new ATOM 0 HB3 ASN A 59 10.407 8.586 5.680 1.00 31.55 H new ATOM 0 HD21 ASN A 59 12.069 9.916 4.619 1.00 14.31 H new ATOM 0 HD22 ASN A 59 11.595 11.207 3.510 1.00 14.31 H new ATOM 1036 N MET A 60 8.054 6.079 4.078 1.00 53.42 N ATOM 1037 CA MET A 60 6.762 5.572 3.648 1.00 63.50 C ATOM 1038 C MET A 60 5.867 6.708 3.147 1.00 72.03 C ATOM 1039 O MET A 60 4.966 6.483 2.340 1.00 33.53 O ATOM 1040 CB MET A 60 6.078 4.860 4.817 1.00 54.13 C ATOM 1041 CG MET A 60 5.302 5.854 5.685 1.00 71.53 C ATOM 1042 SD MET A 60 3.657 6.081 5.031 1.00 50.24 S ATOM 1043 CE MET A 60 3.112 4.383 4.965 1.00 24.12 C ATOM 0 H MET A 60 8.378 5.717 4.975 1.00 53.42 H new ATOM 0 HA MET A 60 6.922 4.872 2.828 1.00 63.50 H new ATOM 0 HB2 MET A 60 5.399 4.097 4.436 1.00 54.13 H new ATOM 0 HB3 MET A 60 6.825 4.348 5.423 1.00 54.13 H new ATOM 0 HG2 MET A 60 5.247 5.489 6.710 1.00 71.53 H new ATOM 0 HG3 MET A 60 5.826 6.810 5.715 1.00 71.53 H new ATOM 0 HE1 MET A 60 2.055 4.330 5.227 1.00 24.12 H new ATOM 0 HE2 MET A 60 3.256 3.993 3.957 1.00 24.12 H new ATOM 0 HE3 MET A 60 3.691 3.787 5.671 1.00 24.12 H new ATOM 1053 N SER A 61 6.146 7.902 3.648 1.00 31.15 N ATOM 1054 CA SER A 61 5.377 9.074 3.260 1.00 60.52 C ATOM 1055 C SER A 61 5.414 9.245 1.741 1.00 5.42 C ATOM 1056 O SER A 61 4.370 9.325 1.095 1.00 42.35 O ATOM 1057 CB SER A 61 5.906 10.332 3.950 1.00 24.14 C ATOM 1058 OG SER A 61 6.148 11.387 3.024 1.00 33.42 O ATOM 0 H SER A 61 6.893 8.084 4.318 1.00 31.15 H new ATOM 0 HA SER A 61 4.344 8.926 3.576 1.00 60.52 H new ATOM 0 HB2 SER A 61 5.187 10.665 4.699 1.00 24.14 H new ATOM 0 HB3 SER A 61 6.829 10.095 4.478 1.00 24.14 H new ATOM 0 HG SER A 61 6.483 12.173 3.504 1.00 33.42 H new ATOM 1064 N GLU A 62 6.628 9.298 1.213 1.00 43.34 N ATOM 1065 CA GLU A 62 6.816 9.459 -0.219 1.00 62.30 C ATOM 1066 C GLU A 62 5.826 8.580 -0.986 1.00 2.22 C ATOM 1067 O GLU A 62 5.049 9.078 -1.799 1.00 1.22 O ATOM 1068 CB GLU A 62 8.257 9.142 -0.623 1.00 23.32 C ATOM 1069 CG GLU A 62 9.115 10.409 -0.631 1.00 33.21 C ATOM 1070 CD GLU A 62 10.284 10.273 -1.609 1.00 21.13 C ATOM 1071 OE1 GLU A 62 11.024 11.243 -1.829 1.00 65.32 O ATOM 1072 OE2 GLU A 62 10.410 9.108 -2.148 1.00 22.24 O ATOM 0 H GLU A 62 7.492 9.232 1.752 1.00 43.34 H new ATOM 0 HA GLU A 62 6.623 10.501 -0.476 1.00 62.30 H new ATOM 0 HB2 GLU A 62 8.681 8.415 0.070 1.00 23.32 H new ATOM 0 HB3 GLU A 62 8.269 8.684 -1.612 1.00 23.32 H new ATOM 0 HG2 GLU A 62 8.502 11.266 -0.909 1.00 33.21 H new ATOM 0 HG3 GLU A 62 9.496 10.601 0.372 1.00 33.21 H new ATOM 1080 N LEU A 63 5.887 7.288 -0.700 1.00 75.35 N ATOM 1081 CA LEU A 63 5.006 6.335 -1.353 1.00 71.31 C ATOM 1082 C LEU A 63 3.605 6.939 -1.469 1.00 34.30 C ATOM 1083 O LEU A 63 2.957 6.818 -2.508 1.00 74.31 O ATOM 1084 CB LEU A 63 5.037 4.990 -0.625 1.00 53.52 C ATOM 1085 CG LEU A 63 4.462 3.798 -1.392 1.00 3.21 C ATOM 1086 CD1 LEU A 63 4.343 2.569 -0.489 1.00 21.14 C ATOM 1087 CD2 LEU A 63 3.128 4.159 -2.048 1.00 23.34 C ATOM 0 H LEU A 63 6.533 6.879 -0.025 1.00 75.35 H new ATOM 0 HA LEU A 63 5.351 6.130 -2.367 1.00 71.31 H new ATOM 0 HB2 LEU A 63 6.071 4.764 -0.365 1.00 53.52 H new ATOM 0 HB3 LEU A 63 4.488 5.093 0.311 1.00 53.52 H new ATOM 0 HG LEU A 63 5.155 3.542 -2.193 1.00 3.21 H new ATOM 0 HD11 LEU A 63 3.932 1.737 -1.060 1.00 21.14 H new ATOM 0 HD12 LEU A 63 5.329 2.298 -0.112 1.00 21.14 H new ATOM 0 HD13 LEU A 63 3.683 2.796 0.349 1.00 21.14 H new ATOM 0 HD21 LEU A 63 2.741 3.294 -2.587 1.00 23.34 H new ATOM 0 HD22 LEU A 63 2.414 4.457 -1.280 1.00 23.34 H new ATOM 0 HD23 LEU A 63 3.277 4.984 -2.745 1.00 23.34 H new ATOM 1099 N ILE A 64 3.178 7.575 -0.388 1.00 23.04 N ATOM 1100 CA ILE A 64 1.866 8.198 -0.356 1.00 61.52 C ATOM 1101 C ILE A 64 1.781 9.257 -1.457 1.00 62.30 C ATOM 1102 O ILE A 64 0.877 9.220 -2.291 1.00 14.00 O ATOM 1103 CB ILE A 64 1.565 8.741 1.043 1.00 21.21 C ATOM 1104 CG1 ILE A 64 1.904 7.705 2.117 1.00 50.20 C ATOM 1105 CG2 ILE A 64 0.115 9.219 1.145 1.00 30.13 C ATOM 1106 CD1 ILE A 64 1.289 6.346 1.781 1.00 54.44 C ATOM 0 H ILE A 64 3.718 7.672 0.472 1.00 23.04 H new ATOM 0 HA ILE A 64 1.090 7.461 -0.562 1.00 61.52 H new ATOM 0 HB ILE A 64 2.203 9.607 1.218 1.00 21.21 H new ATOM 0 HG12 ILE A 64 2.986 7.607 2.204 1.00 50.20 H new ATOM 0 HG13 ILE A 64 1.536 8.045 3.085 1.00 50.20 H new ATOM 0 HG21 ILE A 64 -0.073 9.600 2.149 1.00 30.13 H new ATOM 0 HG22 ILE A 64 -0.059 10.012 0.418 1.00 30.13 H new ATOM 0 HG23 ILE A 64 -0.558 8.386 0.941 1.00 30.13 H new ATOM 0 HD11 ILE A 64 1.545 5.628 2.560 1.00 54.44 H new ATOM 0 HD12 ILE A 64 0.205 6.443 1.719 1.00 54.44 H new ATOM 0 HD13 ILE A 64 1.678 5.997 0.824 1.00 54.44 H new ATOM 1118 N LYS A 65 2.735 10.176 -1.424 1.00 65.21 N ATOM 1119 CA LYS A 65 2.779 11.244 -2.409 1.00 4.50 C ATOM 1120 C LYS A 65 2.846 10.635 -3.811 1.00 41.42 C ATOM 1121 O LYS A 65 2.540 11.304 -4.798 1.00 64.31 O ATOM 1122 CB LYS A 65 3.926 12.208 -2.103 1.00 50.41 C ATOM 1123 CG LYS A 65 3.891 12.654 -0.639 1.00 31.50 C ATOM 1124 CD LYS A 65 4.751 13.901 -0.425 1.00 14.42 C ATOM 1125 CE LYS A 65 4.386 14.599 0.887 1.00 43.24 C ATOM 1126 NZ LYS A 65 5.180 15.838 1.052 1.00 21.21 N ATOM 0 H LYS A 65 3.483 10.203 -0.731 1.00 65.21 H new ATOM 0 HA LYS A 65 1.869 11.843 -2.363 1.00 4.50 H new ATOM 0 HB2 LYS A 65 4.879 11.725 -2.317 1.00 50.41 H new ATOM 0 HB3 LYS A 65 3.857 13.079 -2.754 1.00 50.41 H new ATOM 0 HG2 LYS A 65 2.863 12.862 -0.343 1.00 31.50 H new ATOM 0 HG3 LYS A 65 4.250 11.847 -0.000 1.00 31.50 H new ATOM 0 HD2 LYS A 65 5.805 13.623 -0.412 1.00 14.42 H new ATOM 0 HD3 LYS A 65 4.613 14.590 -1.258 1.00 14.42 H new ATOM 0 HE2 LYS A 65 3.322 14.837 0.896 1.00 43.24 H new ATOM 0 HE3 LYS A 65 4.569 13.928 1.726 1.00 43.24 H new ATOM 0 HZ1 LYS A 65 4.921 16.300 1.947 1.00 21.21 H new ATOM 0 HZ2 LYS A 65 6.193 15.602 1.065 1.00 21.21 H new ATOM 0 HZ3 LYS A 65 4.985 16.483 0.260 1.00 21.21 H new ATOM 1139 N ILE A 66 3.247 9.373 -3.856 1.00 54.04 N ATOM 1140 CA ILE A 66 3.358 8.667 -5.121 1.00 32.11 C ATOM 1141 C ILE A 66 1.994 8.085 -5.497 1.00 63.23 C ATOM 1142 O ILE A 66 1.608 8.102 -6.665 1.00 3.21 O ATOM 1143 CB ILE A 66 4.475 7.623 -5.056 1.00 32.41 C ATOM 1144 CG1 ILE A 66 5.792 8.257 -4.600 1.00 34.42 C ATOM 1145 CG2 ILE A 66 4.623 6.895 -6.393 1.00 33.32 C ATOM 1146 CD1 ILE A 66 6.602 8.758 -5.796 1.00 42.45 C ATOM 0 H ILE A 66 3.499 8.821 -3.036 1.00 54.04 H new ATOM 0 HA ILE A 66 3.642 9.355 -5.917 1.00 32.11 H new ATOM 0 HB ILE A 66 4.202 6.876 -4.311 1.00 32.41 H new ATOM 0 HG12 ILE A 66 5.585 9.086 -3.923 1.00 34.42 H new ATOM 0 HG13 ILE A 66 6.377 7.527 -4.040 1.00 34.42 H new ATOM 0 HG21 ILE A 66 5.423 6.159 -6.320 1.00 33.32 H new ATOM 0 HG22 ILE A 66 3.688 6.391 -6.639 1.00 33.32 H new ATOM 0 HG23 ILE A 66 4.863 7.615 -7.175 1.00 33.32 H new ATOM 0 HD11 ILE A 66 7.532 9.204 -5.444 1.00 42.45 H new ATOM 0 HD12 ILE A 66 6.828 7.922 -6.458 1.00 42.45 H new ATOM 0 HD13 ILE A 66 6.024 9.506 -6.339 1.00 42.45 H new ATOM 1158 N ILE A 67 1.302 7.584 -4.485 1.00 34.24 N ATOM 1159 CA ILE A 67 -0.011 6.997 -4.693 1.00 32.34 C ATOM 1160 C ILE A 67 -0.996 8.095 -5.101 1.00 73.40 C ATOM 1161 O ILE A 67 -1.678 7.976 -6.118 1.00 52.31 O ATOM 1162 CB ILE A 67 -0.449 6.207 -3.459 1.00 45.44 C ATOM 1163 CG1 ILE A 67 0.312 4.882 -3.359 1.00 52.04 C ATOM 1164 CG2 ILE A 67 -1.965 6.001 -3.447 1.00 30.32 C ATOM 1165 CD1 ILE A 67 -0.029 3.966 -4.535 1.00 74.11 C ATOM 0 H ILE A 67 1.626 7.572 -3.518 1.00 34.24 H new ATOM 0 HA ILE A 67 0.021 6.275 -5.509 1.00 32.34 H new ATOM 0 HB ILE A 67 -0.199 6.791 -2.573 1.00 45.44 H new ATOM 0 HG12 ILE A 67 1.385 5.075 -3.342 1.00 52.04 H new ATOM 0 HG13 ILE A 67 0.063 4.385 -2.422 1.00 52.04 H new ATOM 0 HG21 ILE A 67 -2.248 5.436 -2.559 1.00 30.32 H new ATOM 0 HG22 ILE A 67 -2.464 6.970 -3.436 1.00 30.32 H new ATOM 0 HG23 ILE A 67 -2.264 5.449 -4.338 1.00 30.32 H new ATOM 0 HD11 ILE A 67 0.524 3.032 -4.441 1.00 74.11 H new ATOM 0 HD12 ILE A 67 -1.099 3.756 -4.534 1.00 74.11 H new ATOM 0 HD13 ILE A 67 0.244 4.457 -5.469 1.00 74.11 H new ATOM 1177 N ARG A 68 -1.039 9.139 -4.287 1.00 44.40 N ATOM 1178 CA ARG A 68 -1.930 10.257 -4.549 1.00 13.42 C ATOM 1179 C ARG A 68 -1.693 10.803 -5.959 1.00 51.22 C ATOM 1180 O ARG A 68 -2.567 11.452 -6.531 1.00 0.23 O ATOM 1181 CB ARG A 68 -1.719 11.380 -3.532 1.00 13.44 C ATOM 1182 CG ARG A 68 -0.427 12.147 -3.824 1.00 12.22 C ATOM 1183 CD ARG A 68 -0.275 13.342 -2.879 1.00 24.23 C ATOM 1184 NE ARG A 68 -0.756 14.575 -3.541 1.00 63.13 N ATOM 1185 CZ ARG A 68 -0.812 15.783 -2.941 1.00 75.11 C ATOM 1186 NH1 ARG A 68 -0.416 15.930 -1.659 1.00 73.42 N ATOM 1187 NH2 ARG A 68 -1.260 16.818 -3.626 1.00 64.55 N ATOM 0 H ARG A 68 -0.471 9.235 -3.445 1.00 44.40 H new ATOM 0 HA ARG A 68 -2.954 9.893 -4.463 1.00 13.42 H new ATOM 0 HB2 ARG A 68 -2.567 12.064 -3.559 1.00 13.44 H new ATOM 0 HB3 ARG A 68 -1.679 10.962 -2.526 1.00 13.44 H new ATOM 0 HG2 ARG A 68 0.429 11.481 -3.715 1.00 12.22 H new ATOM 0 HG3 ARG A 68 -0.431 12.494 -4.857 1.00 12.22 H new ATOM 0 HD2 ARG A 68 -0.840 13.167 -1.964 1.00 24.23 H new ATOM 0 HD3 ARG A 68 0.770 13.458 -2.591 1.00 24.23 H new ATOM 0 HE ARG A 68 -1.064 14.508 -4.511 1.00 63.13 H new ATOM 0 HH11 ARG A 68 -0.071 15.125 -1.136 1.00 73.42 H new ATOM 0 HH12 ARG A 68 -0.461 16.846 -1.213 1.00 73.42 H new ATOM 0 HH21 ARG A 68 -1.558 16.699 -4.594 1.00 64.55 H new ATOM 0 HH22 ARG A 68 -1.309 17.738 -3.187 1.00 64.55 H new ATOM 1200 N ARG A 69 -0.507 10.521 -6.478 1.00 52.40 N ATOM 1201 CA ARG A 69 -0.144 10.976 -7.809 1.00 45.24 C ATOM 1202 C ARG A 69 -0.815 10.101 -8.869 1.00 0.14 C ATOM 1203 O ARG A 69 -1.098 10.564 -9.973 1.00 4.20 O ATOM 1204 CB ARG A 69 1.371 10.939 -8.009 1.00 70.32 C ATOM 1205 CG ARG A 69 2.007 12.282 -7.642 1.00 44.21 C ATOM 1206 CD ARG A 69 1.915 13.269 -8.807 1.00 0.22 C ATOM 1207 NE ARG A 69 1.868 14.655 -8.292 1.00 10.40 N ATOM 1208 CZ ARG A 69 1.740 15.750 -9.073 1.00 73.23 C ATOM 1209 NH1 ARG A 69 1.647 15.626 -10.414 1.00 43.44 N ATOM 1210 NH2 ARG A 69 1.708 16.940 -8.506 1.00 11.44 N ATOM 0 H ARG A 69 0.215 9.982 -6.000 1.00 52.40 H new ATOM 0 HA ARG A 69 -0.486 12.006 -7.914 1.00 45.24 H new ATOM 0 HB2 ARG A 69 1.803 10.149 -7.395 1.00 70.32 H new ATOM 0 HB3 ARG A 69 1.598 10.697 -9.047 1.00 70.32 H new ATOM 0 HG2 ARG A 69 1.507 12.698 -6.768 1.00 44.21 H new ATOM 0 HG3 ARG A 69 3.052 12.131 -7.370 1.00 44.21 H new ATOM 0 HD2 ARG A 69 2.774 13.146 -9.467 1.00 0.22 H new ATOM 0 HD3 ARG A 69 1.024 13.062 -9.400 1.00 0.22 H new ATOM 0 HE ARG A 69 1.937 14.793 -7.284 1.00 10.40 H new ATOM 0 HH11 ARG A 69 1.673 14.701 -10.844 1.00 43.44 H new ATOM 0 HH12 ARG A 69 1.551 16.457 -10.998 1.00 43.44 H new ATOM 0 HH21 ARG A 69 1.779 17.024 -7.492 1.00 11.44 H new ATOM 0 HH22 ARG A 69 1.612 17.777 -9.081 1.00 11.44 H new ATOM 1223 N ARG A 70 -1.048 8.850 -8.498 1.00 44.14 N ATOM 1224 CA ARG A 70 -1.679 7.906 -9.404 1.00 12.55 C ATOM 1225 C ARG A 70 -3.187 8.164 -9.475 1.00 23.22 C ATOM 1226 O ARG A 70 -3.783 8.086 -10.548 1.00 5.20 O ATOM 1227 CB ARG A 70 -1.438 6.465 -8.953 1.00 25.13 C ATOM 1228 CG ARG A 70 -0.015 6.288 -8.417 1.00 50.40 C ATOM 1229 CD ARG A 70 1.013 6.871 -9.390 1.00 24.25 C ATOM 1230 NE ARG A 70 0.556 6.679 -10.785 1.00 54.32 N ATOM 1231 CZ ARG A 70 0.914 7.474 -11.814 1.00 71.15 C ATOM 1232 NH1 ARG A 70 1.738 8.526 -11.615 1.00 51.00 N ATOM 1233 NH2 ARG A 70 0.447 7.209 -13.020 1.00 40.12 N ATOM 0 H ARG A 70 -0.811 8.469 -7.582 1.00 44.14 H new ATOM 0 HA ARG A 70 -1.235 8.046 -10.390 1.00 12.55 H new ATOM 0 HB2 ARG A 70 -2.158 6.197 -8.179 1.00 25.13 H new ATOM 0 HB3 ARG A 70 -1.602 5.786 -9.790 1.00 25.13 H new ATOM 0 HG2 ARG A 70 0.076 6.779 -7.448 1.00 50.40 H new ATOM 0 HG3 ARG A 70 0.189 5.229 -8.258 1.00 50.40 H new ATOM 0 HD2 ARG A 70 1.156 7.933 -9.188 1.00 24.25 H new ATOM 0 HD3 ARG A 70 1.979 6.387 -9.245 1.00 24.25 H new ATOM 0 HE ARG A 70 -0.069 5.897 -10.980 1.00 54.32 H new ATOM 0 HH11 ARG A 70 2.095 8.725 -10.680 1.00 51.00 H new ATOM 0 HH12 ARG A 70 2.003 9.122 -12.399 1.00 51.00 H new ATOM 0 HH21 ARG A 70 -0.175 6.413 -13.163 1.00 40.12 H new ATOM 0 HH22 ARG A 70 0.708 7.800 -13.809 1.00 40.12 H new ATOM 1246 N LEU A 71 -3.757 8.467 -8.319 1.00 54.34 N ATOM 1247 CA LEU A 71 -5.183 8.737 -8.236 1.00 61.25 C ATOM 1248 C LEU A 71 -5.460 10.152 -8.749 1.00 45.53 C ATOM 1249 O LEU A 71 -6.615 10.553 -8.883 1.00 31.41 O ATOM 1250 CB LEU A 71 -5.694 8.487 -6.816 1.00 11.24 C ATOM 1251 CG LEU A 71 -5.589 7.047 -6.310 1.00 72.23 C ATOM 1252 CD1 LEU A 71 -5.394 7.012 -4.793 1.00 40.55 C ATOM 1253 CD2 LEU A 71 -6.799 6.220 -6.751 1.00 31.15 C ATOM 0 H LEU A 71 -3.258 8.532 -7.432 1.00 54.34 H new ATOM 0 HA LEU A 71 -5.739 8.051 -8.875 1.00 61.25 H new ATOM 0 HB2 LEU A 71 -5.141 9.132 -6.133 1.00 11.24 H new ATOM 0 HB3 LEU A 71 -6.739 8.793 -6.768 1.00 11.24 H new ATOM 0 HG LEU A 71 -4.707 6.591 -6.759 1.00 72.23 H new ATOM 0 HD11 LEU A 71 -5.322 5.977 -4.459 1.00 40.55 H new ATOM 0 HD12 LEU A 71 -4.478 7.542 -4.532 1.00 40.55 H new ATOM 0 HD13 LEU A 71 -6.243 7.492 -4.306 1.00 40.55 H new ATOM 0 HD21 LEU A 71 -6.699 5.201 -6.378 1.00 31.15 H new ATOM 0 HD22 LEU A 71 -7.710 6.665 -6.350 1.00 31.15 H new ATOM 0 HD23 LEU A 71 -6.852 6.204 -7.840 1.00 31.15 H new ATOM 1265 N GLN A 72 -4.380 10.870 -9.021 1.00 1.14 N ATOM 1266 CA GLN A 72 -4.491 12.232 -9.515 1.00 2.32 C ATOM 1267 C GLN A 72 -5.640 12.960 -8.813 1.00 41.52 C ATOM 1268 O GLN A 72 -6.435 13.641 -9.459 1.00 73.52 O ATOM 1269 CB GLN A 72 -4.678 12.250 -11.034 1.00 45.04 C ATOM 1270 CG GLN A 72 -5.624 11.134 -11.483 1.00 10.21 C ATOM 1271 CD GLN A 72 -5.778 11.125 -13.006 1.00 21.30 C ATOM 1272 OE1 GLN A 72 -6.295 12.052 -13.609 1.00 5.54 O ATOM 1273 NE2 GLN A 72 -5.300 10.032 -13.592 1.00 53.14 N ATOM 0 H GLN A 72 -3.424 10.534 -8.909 1.00 1.14 H new ATOM 0 HA GLN A 72 -3.563 12.757 -9.289 1.00 2.32 H new ATOM 0 HB2 GLN A 72 -5.077 13.216 -11.344 1.00 45.04 H new ATOM 0 HB3 GLN A 72 -3.712 12.132 -11.524 1.00 45.04 H new ATOM 0 HG2 GLN A 72 -5.241 10.170 -11.147 1.00 10.21 H new ATOM 0 HG3 GLN A 72 -6.600 11.270 -11.016 1.00 10.21 H new ATOM 0 HE21 GLN A 72 -4.880 9.293 -13.028 1.00 53.14 H new ATOM 0 HE22 GLN A 72 -5.354 9.932 -14.606 1.00 53.14 H new ATOM 1282 N LEU A 73 -5.691 12.789 -7.500 1.00 45.22 N ATOM 1283 CA LEU A 73 -6.728 13.421 -6.704 1.00 53.22 C ATOM 1284 C LEU A 73 -6.312 14.857 -6.376 1.00 1.12 C ATOM 1285 O LEU A 73 -5.198 15.270 -6.692 1.00 24.52 O ATOM 1286 CB LEU A 73 -7.045 12.575 -5.468 1.00 60.03 C ATOM 1287 CG LEU A 73 -7.213 11.073 -5.708 1.00 42.11 C ATOM 1288 CD1 LEU A 73 -7.112 10.293 -4.396 1.00 2.10 C ATOM 1289 CD2 LEU A 73 -8.518 10.779 -6.450 1.00 40.04 C ATOM 0 H LEU A 73 -5.031 12.222 -6.968 1.00 45.22 H new ATOM 0 HA LEU A 73 -7.658 13.480 -7.269 1.00 53.22 H new ATOM 0 HB2 LEU A 73 -6.247 12.719 -4.739 1.00 60.03 H new ATOM 0 HB3 LEU A 73 -7.962 12.955 -5.017 1.00 60.03 H new ATOM 0 HG LEU A 73 -6.396 10.736 -6.346 1.00 42.11 H new ATOM 0 HD11 LEU A 73 -7.235 9.228 -4.595 1.00 2.10 H new ATOM 0 HD12 LEU A 73 -6.136 10.467 -3.943 1.00 2.10 H new ATOM 0 HD13 LEU A 73 -7.893 10.627 -3.713 1.00 2.10 H new ATOM 0 HD21 LEU A 73 -8.613 9.705 -6.608 1.00 40.04 H new ATOM 0 HD22 LEU A 73 -9.361 11.135 -5.858 1.00 40.04 H new ATOM 0 HD23 LEU A 73 -8.511 11.288 -7.414 1.00 40.04 H new ATOM 1301 N ASN A 74 -7.228 15.576 -5.745 1.00 35.22 N ATOM 1302 CA ASN A 74 -6.969 16.955 -5.371 1.00 74.20 C ATOM 1303 C ASN A 74 -7.351 17.162 -3.904 1.00 51.40 C ATOM 1304 O ASN A 74 -7.655 16.202 -3.197 1.00 1.13 O ATOM 1305 CB ASN A 74 -7.802 17.921 -6.217 1.00 44.21 C ATOM 1306 CG ASN A 74 -7.066 19.246 -6.422 1.00 42.24 C ATOM 1307 OD1 ASN A 74 -7.166 20.170 -5.631 1.00 33.31 O ATOM 1308 ND2 ASN A 74 -6.324 19.288 -7.523 1.00 1.30 N ATOM 0 H ASN A 74 -8.151 15.229 -5.483 1.00 35.22 H new ATOM 0 HA ASN A 74 -5.910 17.155 -5.533 1.00 74.20 H new ATOM 0 HB2 ASN A 74 -8.019 17.468 -7.184 1.00 44.21 H new ATOM 0 HB3 ASN A 74 -8.759 18.105 -5.729 1.00 44.21 H new ATOM 0 HD21 ASN A 74 -5.794 20.130 -7.749 1.00 1.30 H new ATOM 0 HD22 ASN A 74 -6.284 18.479 -8.143 1.00 1.30 H new ATOM 1315 N ALA A 75 -7.324 18.420 -3.491 1.00 12.11 N ATOM 1316 CA ALA A 75 -7.664 18.765 -2.120 1.00 24.42 C ATOM 1317 C ALA A 75 -9.125 18.395 -1.853 1.00 44.43 C ATOM 1318 O ALA A 75 -9.473 17.989 -0.746 1.00 11.42 O ATOM 1319 CB ALA A 75 -7.386 20.250 -1.883 1.00 14.40 C ATOM 0 H ALA A 75 -7.072 19.213 -4.081 1.00 12.11 H new ATOM 0 HA ALA A 75 -7.048 18.202 -1.419 1.00 24.42 H new ATOM 0 HB1 ALA A 75 -7.641 20.508 -0.855 1.00 14.40 H new ATOM 0 HB2 ALA A 75 -6.330 20.455 -2.057 1.00 14.40 H new ATOM 0 HB3 ALA A 75 -7.989 20.847 -2.567 1.00 14.40 H new ATOM 1325 N ASN A 76 -9.939 18.550 -2.886 1.00 1.33 N ATOM 1326 CA ASN A 76 -11.354 18.238 -2.777 1.00 24.12 C ATOM 1327 C ASN A 76 -11.520 16.757 -2.428 1.00 74.34 C ATOM 1328 O ASN A 76 -12.392 16.396 -1.639 1.00 61.04 O ATOM 1329 CB ASN A 76 -12.079 18.496 -4.100 1.00 13.50 C ATOM 1330 CG ASN A 76 -11.894 19.945 -4.553 1.00 64.51 C ATOM 1331 OD1 ASN A 76 -11.628 20.840 -3.767 1.00 13.31 O ATOM 1332 ND2 ASN A 76 -12.051 20.127 -5.861 1.00 33.55 N ATOM 0 H ASN A 76 -9.646 18.888 -3.803 1.00 1.33 H new ATOM 0 HA ASN A 76 -11.781 18.875 -2.002 1.00 24.12 H new ATOM 0 HB2 ASN A 76 -11.698 17.820 -4.866 1.00 13.50 H new ATOM 0 HB3 ASN A 76 -13.141 18.280 -3.985 1.00 13.50 H new ATOM 0 HD21 ASN A 76 -11.949 21.059 -6.262 1.00 33.55 H new ATOM 0 HD22 ASN A 76 -12.273 19.334 -6.463 1.00 33.55 H new ATOM 1339 N GLN A 77 -10.669 15.941 -3.032 1.00 5.11 N ATOM 1340 CA GLN A 77 -10.710 14.509 -2.794 1.00 23.14 C ATOM 1341 C GLN A 77 -9.734 14.127 -1.680 1.00 75.30 C ATOM 1342 O GLN A 77 -8.613 14.632 -1.631 1.00 22.03 O ATOM 1343 CB GLN A 77 -10.409 13.731 -4.077 1.00 64.02 C ATOM 1344 CG GLN A 77 -10.222 12.241 -3.784 1.00 4.53 C ATOM 1345 CD GLN A 77 -11.561 11.574 -3.461 1.00 63.11 C ATOM 1346 OE1 GLN A 77 -12.476 11.536 -4.267 1.00 32.13 O ATOM 1347 NE2 GLN A 77 -11.623 11.051 -2.239 1.00 2.12 N ATOM 0 H GLN A 77 -9.947 16.244 -3.686 1.00 5.11 H new ATOM 0 HA GLN A 77 -11.717 14.243 -2.474 1.00 23.14 H new ATOM 0 HB2 GLN A 77 -11.224 13.866 -4.788 1.00 64.02 H new ATOM 0 HB3 GLN A 77 -9.509 14.129 -4.545 1.00 64.02 H new ATOM 0 HG2 GLN A 77 -9.766 11.752 -4.645 1.00 4.53 H new ATOM 0 HG3 GLN A 77 -9.537 12.115 -2.946 1.00 4.53 H new ATOM 0 HE21 GLN A 77 -10.820 11.118 -1.614 1.00 2.12 H new ATOM 0 HE22 GLN A 77 -12.474 10.583 -1.927 1.00 2.12 H new ATOM 1356 N ALA A 78 -10.195 13.238 -0.812 1.00 0.35 N ATOM 1357 CA ALA A 78 -9.376 12.783 0.300 1.00 43.41 C ATOM 1358 C ALA A 78 -8.853 11.377 0.000 1.00 61.31 C ATOM 1359 O ALA A 78 -9.604 10.517 -0.458 1.00 75.30 O ATOM 1360 CB ALA A 78 -10.193 12.838 1.592 1.00 61.34 C ATOM 0 H ALA A 78 -11.125 12.821 -0.856 1.00 0.35 H new ATOM 0 HA ALA A 78 -8.512 13.435 0.433 1.00 43.41 H new ATOM 0 HB1 ALA A 78 -9.579 12.497 2.426 1.00 61.34 H new ATOM 0 HB2 ALA A 78 -10.516 13.863 1.775 1.00 61.34 H new ATOM 0 HB3 ALA A 78 -11.067 12.193 1.498 1.00 61.34 H new ATOM 1366 N PHE A 79 -7.570 11.188 0.269 1.00 75.54 N ATOM 1367 CA PHE A 79 -6.938 9.901 0.033 1.00 50.43 C ATOM 1368 C PHE A 79 -6.037 9.510 1.207 1.00 43.02 C ATOM 1369 O PHE A 79 -5.250 10.323 1.688 1.00 63.34 O ATOM 1370 CB PHE A 79 -6.080 10.047 -1.226 1.00 54.22 C ATOM 1371 CG PHE A 79 -4.809 9.197 -1.215 1.00 64.41 C ATOM 1372 CD1 PHE A 79 -4.894 7.844 -1.316 1.00 44.31 C ATOM 1373 CD2 PHE A 79 -3.592 9.795 -1.104 1.00 41.31 C ATOM 1374 CE1 PHE A 79 -3.714 7.055 -1.306 1.00 23.15 C ATOM 1375 CE2 PHE A 79 -2.411 9.006 -1.094 1.00 70.15 C ATOM 1376 CZ PHE A 79 -2.497 7.652 -1.195 1.00 20.55 C ATOM 0 H PHE A 79 -6.951 11.904 0.648 1.00 75.54 H new ATOM 0 HA PHE A 79 -7.698 9.128 -0.081 1.00 50.43 H new ATOM 0 HB2 PHE A 79 -6.679 9.775 -2.095 1.00 54.22 H new ATOM 0 HB3 PHE A 79 -5.803 11.095 -1.345 1.00 54.22 H new ATOM 0 HD1 PHE A 79 -5.860 7.369 -1.404 1.00 44.31 H new ATOM 0 HD2 PHE A 79 -3.524 10.870 -1.023 1.00 41.31 H new ATOM 0 HE1 PHE A 79 -3.783 5.980 -1.387 1.00 23.15 H new ATOM 0 HE2 PHE A 79 -1.445 9.481 -1.006 1.00 70.15 H new ATOM 0 HZ PHE A 79 -1.599 7.052 -1.187 1.00 20.55 H new ATOM 1386 N PHE A 80 -6.183 8.264 1.633 1.00 13.24 N ATOM 1387 CA PHE A 80 -5.391 7.754 2.741 1.00 53.43 C ATOM 1388 C PHE A 80 -5.016 6.289 2.517 1.00 1.31 C ATOM 1389 O PHE A 80 -5.886 5.420 2.474 1.00 11.12 O ATOM 1390 CB PHE A 80 -6.260 7.860 3.995 1.00 51.05 C ATOM 1391 CG PHE A 80 -6.289 9.259 4.616 1.00 52.55 C ATOM 1392 CD1 PHE A 80 -5.126 9.874 4.960 1.00 20.11 C ATOM 1393 CD2 PHE A 80 -7.477 9.886 4.823 1.00 23.51 C ATOM 1394 CE1 PHE A 80 -5.153 11.172 5.536 1.00 2.11 C ATOM 1395 CE2 PHE A 80 -7.504 11.184 5.399 1.00 25.31 C ATOM 1396 CZ PHE A 80 -6.341 11.800 5.744 1.00 53.22 C ATOM 0 H PHE A 80 -6.837 7.592 1.232 1.00 13.24 H new ATOM 0 HA PHE A 80 -4.468 8.327 2.835 1.00 53.43 H new ATOM 0 HB2 PHE A 80 -7.279 7.564 3.745 1.00 51.05 H new ATOM 0 HB3 PHE A 80 -5.895 7.151 4.738 1.00 51.05 H new ATOM 0 HD1 PHE A 80 -4.182 9.376 4.795 1.00 20.11 H new ATOM 0 HD2 PHE A 80 -8.400 9.397 4.550 1.00 23.51 H new ATOM 0 HE1 PHE A 80 -4.229 11.661 5.809 1.00 2.11 H new ATOM 0 HE2 PHE A 80 -8.448 11.682 5.563 1.00 25.31 H new ATOM 0 HZ PHE A 80 -6.361 12.787 6.183 1.00 53.22 H new ATOM 1406 N LEU A 81 -3.718 6.058 2.382 1.00 13.24 N ATOM 1407 CA LEU A 81 -3.216 4.711 2.164 1.00 10.45 C ATOM 1408 C LEU A 81 -3.046 4.011 3.514 1.00 41.41 C ATOM 1409 O LEU A 81 -2.214 4.416 4.326 1.00 2.13 O ATOM 1410 CB LEU A 81 -1.939 4.746 1.323 1.00 51.24 C ATOM 1411 CG LEU A 81 -1.807 3.654 0.259 1.00 41.44 C ATOM 1412 CD1 LEU A 81 -0.346 3.462 -0.152 1.00 70.10 C ATOM 1413 CD2 LEU A 81 -2.446 2.347 0.731 1.00 32.24 C ATOM 0 H LEU A 81 -2.999 6.780 2.419 1.00 13.24 H new ATOM 0 HA LEU A 81 -3.932 4.124 1.589 1.00 10.45 H new ATOM 0 HB2 LEU A 81 -1.879 5.716 0.829 1.00 51.24 H new ATOM 0 HB3 LEU A 81 -1.083 4.677 1.995 1.00 51.24 H new ATOM 0 HG LEU A 81 -2.352 3.976 -0.629 1.00 41.44 H new ATOM 0 HD11 LEU A 81 -0.281 2.680 -0.909 1.00 70.10 H new ATOM 0 HD12 LEU A 81 0.043 4.395 -0.559 1.00 70.10 H new ATOM 0 HD13 LEU A 81 0.242 3.173 0.719 1.00 70.10 H new ATOM 0 HD21 LEU A 81 -2.338 1.588 -0.044 1.00 32.24 H new ATOM 0 HD22 LEU A 81 -1.952 2.008 1.642 1.00 32.24 H new ATOM 0 HD23 LEU A 81 -3.505 2.511 0.932 1.00 32.24 H new ATOM 1425 N LEU A 82 -3.844 2.973 3.711 1.00 11.13 N ATOM 1426 CA LEU A 82 -3.792 2.213 4.949 1.00 2.41 C ATOM 1427 C LEU A 82 -2.726 1.123 4.827 1.00 23.30 C ATOM 1428 O LEU A 82 -2.845 0.221 3.999 1.00 74.12 O ATOM 1429 CB LEU A 82 -5.180 1.678 5.307 1.00 22.52 C ATOM 1430 CG LEU A 82 -6.255 2.732 5.581 1.00 4.22 C ATOM 1431 CD1 LEU A 82 -6.054 3.376 6.955 1.00 24.35 C ATOM 1432 CD2 LEU A 82 -6.300 3.774 4.461 1.00 2.33 C ATOM 0 H LEU A 82 -4.531 2.640 3.034 1.00 11.13 H new ATOM 0 HA LEU A 82 -3.499 2.855 5.779 1.00 2.41 H new ATOM 0 HB2 LEU A 82 -5.523 1.041 4.492 1.00 22.52 H new ATOM 0 HB3 LEU A 82 -5.087 1.045 6.189 1.00 22.52 H new ATOM 0 HG LEU A 82 -7.225 2.234 5.597 1.00 4.22 H new ATOM 0 HD11 LEU A 82 -6.831 4.121 7.125 1.00 24.35 H new ATOM 0 HD12 LEU A 82 -6.111 2.610 7.728 1.00 24.35 H new ATOM 0 HD13 LEU A 82 -5.076 3.856 6.992 1.00 24.35 H new ATOM 0 HD21 LEU A 82 -7.072 4.511 4.681 1.00 2.33 H new ATOM 0 HD22 LEU A 82 -5.333 4.272 4.388 1.00 2.33 H new ATOM 0 HD23 LEU A 82 -6.527 3.282 3.515 1.00 2.33 H new ATOM 1444 N VAL A 83 -1.707 1.241 5.666 1.00 23.42 N ATOM 1445 CA VAL A 83 -0.619 0.278 5.663 1.00 54.23 C ATOM 1446 C VAL A 83 -1.079 -1.005 6.359 1.00 0.12 C ATOM 1447 O VAL A 83 -1.176 -1.050 7.585 1.00 11.13 O ATOM 1448 CB VAL A 83 0.627 0.892 6.304 1.00 55.34 C ATOM 1449 CG1 VAL A 83 1.610 -0.195 6.744 1.00 75.33 C ATOM 1450 CG2 VAL A 83 1.297 1.888 5.355 1.00 25.30 C ATOM 0 H VAL A 83 -1.612 1.989 6.353 1.00 23.42 H new ATOM 0 HA VAL A 83 -0.345 0.015 4.641 1.00 54.23 H new ATOM 0 HB VAL A 83 0.312 1.437 7.194 1.00 55.34 H new ATOM 0 HG11 VAL A 83 2.487 0.269 7.196 1.00 75.33 H new ATOM 0 HG12 VAL A 83 1.129 -0.848 7.472 1.00 75.33 H new ATOM 0 HG13 VAL A 83 1.916 -0.781 5.877 1.00 75.33 H new ATOM 0 HG21 VAL A 83 2.180 2.310 5.835 1.00 25.30 H new ATOM 0 HG22 VAL A 83 1.591 1.376 4.439 1.00 25.30 H new ATOM 0 HG23 VAL A 83 0.597 2.688 5.114 1.00 25.30 H new ATOM 1460 N ASN A 84 -1.350 -2.016 5.547 1.00 71.21 N ATOM 1461 CA ASN A 84 -1.797 -3.296 6.070 1.00 22.42 C ATOM 1462 C ASN A 84 -3.214 -3.148 6.628 1.00 41.23 C ATOM 1463 O ASN A 84 -3.737 -4.066 7.256 1.00 15.22 O ATOM 1464 CB ASN A 84 -0.890 -3.775 7.205 1.00 70.52 C ATOM 1465 CG ASN A 84 -0.156 -5.060 6.816 1.00 20.31 C ATOM 1466 OD1 ASN A 84 -0.603 -5.834 5.985 1.00 32.51 O ATOM 1467 ND2 ASN A 84 0.992 -5.244 7.461 1.00 73.33 N ATOM 0 H ASN A 84 -1.269 -1.975 4.531 1.00 71.21 H new ATOM 0 HA ASN A 84 -1.769 -4.020 5.256 1.00 22.42 H new ATOM 0 HB2 ASN A 84 -0.166 -2.998 7.449 1.00 70.52 H new ATOM 0 HB3 ASN A 84 -1.485 -3.949 8.102 1.00 70.52 H new ATOM 0 HD21 ASN A 84 1.556 -6.072 7.272 1.00 73.33 H new ATOM 0 HD22 ASN A 84 1.309 -4.557 8.145 1.00 73.33 H new ATOM 1474 N GLY A 85 -3.795 -1.984 6.376 1.00 4.15 N ATOM 1475 CA GLY A 85 -5.141 -1.703 6.845 1.00 4.21 C ATOM 1476 C GLY A 85 -5.132 -0.616 7.922 1.00 61.15 C ATOM 1477 O GLY A 85 -6.186 -0.213 8.411 1.00 20.01 O ATOM 0 H GLY A 85 -3.358 -1.225 5.853 1.00 4.15 H new ATOM 0 HA2 GLY A 85 -5.762 -1.385 6.008 1.00 4.21 H new ATOM 0 HA3 GLY A 85 -5.587 -2.613 7.246 1.00 4.21 H new ATOM 1481 N HIS A 86 -3.929 -0.175 8.260 1.00 25.23 N ATOM 1482 CA HIS A 86 -3.769 0.858 9.270 1.00 11.12 C ATOM 1483 C HIS A 86 -3.089 2.080 8.651 1.00 50.33 C ATOM 1484 O HIS A 86 -2.028 1.963 8.040 1.00 50.41 O ATOM 1485 CB HIS A 86 -3.017 0.314 10.486 1.00 31.02 C ATOM 1486 CG HIS A 86 -1.911 -0.656 10.143 1.00 33.33 C ATOM 1487 ND1 HIS A 86 -0.582 -0.278 10.060 1.00 72.14 N ATOM 1488 CD2 HIS A 86 -1.950 -1.990 9.862 1.00 74.02 C ATOM 1489 CE1 HIS A 86 0.136 -1.345 9.743 1.00 52.33 C ATOM 1490 NE2 HIS A 86 -0.714 -2.404 9.620 1.00 4.14 N ATOM 0 H HIS A 86 -3.057 -0.513 7.853 1.00 25.23 H new ATOM 0 HA HIS A 86 -4.748 1.175 9.631 1.00 11.12 H new ATOM 0 HB2 HIS A 86 -2.593 1.150 11.042 1.00 31.02 H new ATOM 0 HB3 HIS A 86 -3.728 -0.181 11.148 1.00 31.02 H new ATOM 0 HD1 HIS A 86 -0.218 0.662 10.216 1.00 72.14 H new ATOM 0 HD2 HIS A 86 -2.838 -2.605 9.840 1.00 74.02 H new ATOM 0 HE1 HIS A 86 1.207 -1.372 9.606 1.00 52.33 H new ATOM 1498 N SER A 87 -3.728 3.226 8.830 1.00 21.12 N ATOM 1499 CA SER A 87 -3.199 4.470 8.296 1.00 35.33 C ATOM 1500 C SER A 87 -1.791 4.716 8.841 1.00 12.03 C ATOM 1501 O SER A 87 -1.329 3.995 9.723 1.00 44.20 O ATOM 1502 CB SER A 87 -4.114 5.649 8.637 1.00 21.01 C ATOM 1503 OG SER A 87 -3.376 6.792 9.060 1.00 72.54 O ATOM 0 H SER A 87 -4.608 3.320 9.338 1.00 21.12 H new ATOM 0 HA SER A 87 -3.152 4.384 7.210 1.00 35.33 H new ATOM 0 HB2 SER A 87 -4.713 5.907 7.764 1.00 21.01 H new ATOM 0 HB3 SER A 87 -4.808 5.354 9.424 1.00 21.01 H new ATOM 0 HG SER A 87 -3.753 7.133 9.898 1.00 72.54 H new ATOM 1509 N MET A 88 -1.149 5.737 8.292 1.00 23.44 N ATOM 1510 CA MET A 88 0.198 6.087 8.713 1.00 70.11 C ATOM 1511 C MET A 88 0.238 7.498 9.302 1.00 34.21 C ATOM 1512 O MET A 88 1.159 8.265 9.024 1.00 30.24 O ATOM 1513 CB MET A 88 1.144 6.008 7.513 1.00 23.21 C ATOM 1514 CG MET A 88 0.443 6.465 6.231 1.00 12.04 C ATOM 1515 SD MET A 88 -0.027 8.181 6.372 1.00 73.31 S ATOM 1516 CE MET A 88 -1.772 8.055 6.019 1.00 51.33 C ATOM 0 H MET A 88 -1.536 6.333 7.560 1.00 23.44 H new ATOM 0 HA MET A 88 0.513 5.383 9.483 1.00 70.11 H new ATOM 0 HB2 MET A 88 2.020 6.631 7.694 1.00 23.21 H new ATOM 0 HB3 MET A 88 1.500 4.985 7.392 1.00 23.21 H new ATOM 0 HG2 MET A 88 1.106 6.330 5.376 1.00 12.04 H new ATOM 0 HG3 MET A 88 -0.439 5.851 6.050 1.00 12.04 H new ATOM 0 HE1 MET A 88 -2.093 8.931 5.455 1.00 51.33 H new ATOM 0 HE2 MET A 88 -1.961 7.156 5.432 1.00 51.33 H new ATOM 0 HE3 MET A 88 -2.329 8.001 6.954 1.00 51.33 H new ATOM 1526 N VAL A 89 -0.771 7.798 10.106 1.00 62.44 N ATOM 1527 CA VAL A 89 -0.862 9.103 10.738 1.00 62.21 C ATOM 1528 C VAL A 89 0.537 9.561 11.158 1.00 24.13 C ATOM 1529 O VAL A 89 0.824 10.756 11.174 1.00 1.15 O ATOM 1530 CB VAL A 89 -1.849 9.052 11.906 1.00 72.11 C ATOM 1531 CG1 VAL A 89 -1.210 8.408 13.137 1.00 53.23 C ATOM 1532 CG2 VAL A 89 -2.385 10.448 12.233 1.00 72.21 C ATOM 0 H VAL A 89 -1.533 7.160 10.334 1.00 62.44 H new ATOM 0 HA VAL A 89 -1.249 9.841 10.035 1.00 62.21 H new ATOM 0 HB VAL A 89 -2.693 8.432 11.604 1.00 72.11 H new ATOM 0 HG11 VAL A 89 -1.933 8.385 13.952 1.00 53.23 H new ATOM 0 HG12 VAL A 89 -0.901 7.391 12.896 1.00 53.23 H new ATOM 0 HG13 VAL A 89 -0.339 8.989 13.441 1.00 53.23 H new ATOM 0 HG21 VAL A 89 -3.084 10.383 13.067 1.00 72.21 H new ATOM 0 HG22 VAL A 89 -1.556 11.102 12.505 1.00 72.21 H new ATOM 0 HG23 VAL A 89 -2.897 10.855 11.361 1.00 72.21 H new ATOM 1542 N SER A 90 1.370 8.584 11.487 1.00 43.15 N ATOM 1543 CA SER A 90 2.732 8.871 11.906 1.00 5.54 C ATOM 1544 C SER A 90 3.723 8.167 10.978 1.00 40.34 C ATOM 1545 O SER A 90 3.927 6.958 11.085 1.00 35.33 O ATOM 1546 CB SER A 90 2.963 8.443 13.356 1.00 14.32 C ATOM 1547 OG SER A 90 1.826 8.696 14.175 1.00 2.52 O ATOM 0 H SER A 90 1.128 7.593 11.472 1.00 43.15 H new ATOM 0 HA SER A 90 2.890 9.948 11.845 1.00 5.54 H new ATOM 0 HB2 SER A 90 3.202 7.380 13.386 1.00 14.32 H new ATOM 0 HB3 SER A 90 3.825 8.975 13.758 1.00 14.32 H new ATOM 0 HG SER A 90 2.013 8.407 15.093 1.00 2.52 H new ATOM 1553 N VAL A 91 4.315 8.952 10.090 1.00 73.43 N ATOM 1554 CA VAL A 91 5.280 8.419 9.145 1.00 23.12 C ATOM 1555 C VAL A 91 6.685 8.874 9.545 1.00 2.11 C ATOM 1556 O VAL A 91 7.158 9.914 9.089 1.00 34.04 O ATOM 1557 CB VAL A 91 4.902 8.830 7.720 1.00 41.51 C ATOM 1558 CG1 VAL A 91 4.154 10.164 7.716 1.00 4.23 C ATOM 1559 CG2 VAL A 91 6.138 8.890 6.821 1.00 15.53 C ATOM 0 H VAL A 91 4.144 9.954 10.005 1.00 73.43 H new ATOM 0 HA VAL A 91 5.272 7.329 9.167 1.00 23.12 H new ATOM 0 HB VAL A 91 4.233 8.070 7.317 1.00 41.51 H new ATOM 0 HG11 VAL A 91 3.897 10.434 6.692 1.00 4.23 H new ATOM 0 HG12 VAL A 91 3.243 10.072 8.307 1.00 4.23 H new ATOM 0 HG13 VAL A 91 4.789 10.938 8.147 1.00 4.23 H new ATOM 0 HG21 VAL A 91 5.842 9.184 5.814 1.00 15.53 H new ATOM 0 HG22 VAL A 91 6.843 9.620 7.220 1.00 15.53 H new ATOM 0 HG23 VAL A 91 6.612 7.909 6.788 1.00 15.53 H new ATOM 1569 N SER A 92 7.313 8.074 10.393 1.00 1.13 N ATOM 1570 CA SER A 92 8.654 8.381 10.860 1.00 51.40 C ATOM 1571 C SER A 92 9.579 7.186 10.623 1.00 74.42 C ATOM 1572 O SER A 92 10.652 7.098 11.218 1.00 22.05 O ATOM 1573 CB SER A 92 8.647 8.761 12.343 1.00 12.45 C ATOM 1574 OG SER A 92 9.788 9.537 12.701 1.00 11.51 O ATOM 0 H SER A 92 6.918 7.212 10.769 1.00 1.13 H new ATOM 0 HA SER A 92 9.025 9.236 10.295 1.00 51.40 H new ATOM 0 HB2 SER A 92 7.741 9.323 12.569 1.00 12.45 H new ATOM 0 HB3 SER A 92 8.620 7.855 12.949 1.00 12.45 H new ATOM 0 HG SER A 92 10.600 9.092 12.380 1.00 11.51 H new ATOM 1580 N THR A 93 9.128 6.295 9.752 1.00 61.14 N ATOM 1581 CA THR A 93 9.903 5.108 9.428 1.00 63.22 C ATOM 1582 C THR A 93 10.074 4.981 7.912 1.00 21.35 C ATOM 1583 O THR A 93 9.173 5.330 7.151 1.00 40.15 O ATOM 1584 CB THR A 93 9.207 3.903 10.064 1.00 14.31 C ATOM 1585 OG1 THR A 93 9.426 4.074 11.462 1.00 4.41 O ATOM 1586 CG2 THR A 93 9.909 2.583 9.736 1.00 72.01 C ATOM 0 H THR A 93 8.237 6.371 9.261 1.00 61.14 H new ATOM 0 HA THR A 93 10.913 5.171 9.833 1.00 63.22 H new ATOM 0 HB THR A 93 8.172 3.859 9.724 1.00 14.31 H new ATOM 0 HG1 THR A 93 9.006 3.336 11.952 1.00 4.41 H new ATOM 0 HG21 THR A 93 9.376 1.759 10.211 1.00 72.01 H new ATOM 0 HG22 THR A 93 9.918 2.434 8.656 1.00 72.01 H new ATOM 0 HG23 THR A 93 10.933 2.614 10.107 1.00 72.01 H new ATOM 1594 N PRO A 94 11.267 4.467 7.510 1.00 14.14 N ATOM 1595 CA PRO A 94 11.569 4.290 6.100 1.00 74.20 C ATOM 1596 C PRO A 94 10.818 3.086 5.527 1.00 15.02 C ATOM 1597 O PRO A 94 10.724 2.044 6.173 1.00 45.33 O ATOM 1598 CB PRO A 94 13.079 4.133 6.037 1.00 44.34 C ATOM 1599 CG PRO A 94 13.519 3.764 7.445 1.00 22.42 C ATOM 1600 CD PRO A 94 12.358 4.044 8.385 1.00 54.04 C ATOM 0 HA PRO A 94 11.245 5.134 5.491 1.00 74.20 H new ATOM 0 HB2 PRO A 94 13.362 3.359 5.324 1.00 44.34 H new ATOM 0 HB3 PRO A 94 13.554 5.057 5.709 1.00 44.34 H new ATOM 0 HG2 PRO A 94 13.804 2.713 7.493 1.00 22.42 H new ATOM 0 HG3 PRO A 94 14.394 4.345 7.736 1.00 22.42 H new ATOM 0 HD2 PRO A 94 12.087 3.155 8.955 1.00 54.04 H new ATOM 0 HD3 PRO A 94 12.611 4.821 9.107 1.00 54.04 H new ATOM 1608 N ILE A 95 10.304 3.271 4.320 1.00 43.23 N ATOM 1609 CA ILE A 95 9.564 2.212 3.652 1.00 11.34 C ATOM 1610 C ILE A 95 10.351 0.904 3.755 1.00 4.52 C ATOM 1611 O ILE A 95 9.768 -0.179 3.714 1.00 11.01 O ATOM 1612 CB ILE A 95 9.231 2.618 2.214 1.00 53.24 C ATOM 1613 CG1 ILE A 95 8.186 1.679 1.609 1.00 71.40 C ATOM 1614 CG2 ILE A 95 10.497 2.694 1.358 1.00 74.51 C ATOM 1615 CD1 ILE A 95 6.914 2.443 1.235 1.00 23.35 C ATOM 0 H ILE A 95 10.385 4.137 3.787 1.00 43.23 H new ATOM 0 HA ILE A 95 8.605 2.047 4.143 1.00 11.34 H new ATOM 0 HB ILE A 95 8.795 3.617 2.233 1.00 53.24 H new ATOM 0 HG12 ILE A 95 8.597 1.194 0.724 1.00 71.40 H new ATOM 0 HG13 ILE A 95 7.945 0.890 2.321 1.00 71.40 H new ATOM 0 HG21 ILE A 95 10.232 2.984 0.341 1.00 74.51 H new ATOM 0 HG22 ILE A 95 11.178 3.433 1.780 1.00 74.51 H new ATOM 0 HG23 ILE A 95 10.984 1.719 1.342 1.00 74.51 H new ATOM 0 HD11 ILE A 95 6.187 1.752 0.807 1.00 23.35 H new ATOM 0 HD12 ILE A 95 6.493 2.907 2.127 1.00 23.35 H new ATOM 0 HD13 ILE A 95 7.155 3.215 0.504 1.00 23.35 H new ATOM 1627 N SER A 96 11.661 1.046 3.888 1.00 11.42 N ATOM 1628 CA SER A 96 12.532 -0.111 3.997 1.00 51.52 C ATOM 1629 C SER A 96 12.171 -0.922 5.244 1.00 41.31 C ATOM 1630 O SER A 96 12.104 -2.149 5.193 1.00 24.42 O ATOM 1631 CB SER A 96 14.002 0.309 4.045 1.00 73.11 C ATOM 1632 OG SER A 96 14.314 1.027 5.236 1.00 50.12 O ATOM 0 H SER A 96 12.141 1.946 3.923 1.00 11.42 H new ATOM 0 HA SER A 96 12.388 -0.732 3.113 1.00 51.52 H new ATOM 0 HB2 SER A 96 14.634 -0.576 3.979 1.00 73.11 H new ATOM 0 HB3 SER A 96 14.230 0.929 3.178 1.00 73.11 H new ATOM 0 HG SER A 96 15.262 1.276 5.229 1.00 50.12 H new ATOM 1638 N GLU A 97 11.948 -0.202 6.334 1.00 73.25 N ATOM 1639 CA GLU A 97 11.595 -0.840 7.591 1.00 22.40 C ATOM 1640 C GLU A 97 10.104 -1.182 7.613 1.00 74.43 C ATOM 1641 O GLU A 97 9.732 -2.337 7.818 1.00 53.53 O ATOM 1642 CB GLU A 97 11.971 0.047 8.779 1.00 24.31 C ATOM 1643 CG GLU A 97 13.488 0.078 8.983 1.00 14.32 C ATOM 1644 CD GLU A 97 13.839 0.364 10.445 1.00 13.10 C ATOM 1645 OE1 GLU A 97 14.624 1.282 10.725 1.00 33.11 O ATOM 1646 OE2 GLU A 97 13.263 -0.407 11.305 1.00 21.14 O ATOM 0 H GLU A 97 12.005 0.816 6.373 1.00 73.25 H new ATOM 0 HA GLU A 97 12.161 -1.767 7.677 1.00 22.40 H new ATOM 0 HB2 GLU A 97 11.602 1.059 8.613 1.00 24.31 H new ATOM 0 HB3 GLU A 97 11.487 -0.324 9.682 1.00 24.31 H new ATOM 0 HG2 GLU A 97 13.919 -0.877 8.682 1.00 14.32 H new ATOM 0 HG3 GLU A 97 13.929 0.842 8.343 1.00 14.32 H new ATOM 1654 N VAL A 98 9.291 -0.159 7.399 1.00 73.03 N ATOM 1655 CA VAL A 98 7.849 -0.337 7.392 1.00 14.31 C ATOM 1656 C VAL A 98 7.503 -1.627 6.646 1.00 14.23 C ATOM 1657 O VAL A 98 6.501 -2.274 6.950 1.00 62.31 O ATOM 1658 CB VAL A 98 7.173 0.898 6.794 1.00 13.13 C ATOM 1659 CG1 VAL A 98 5.781 0.556 6.256 1.00 53.03 C ATOM 1660 CG2 VAL A 98 7.100 2.034 7.817 1.00 53.40 C ATOM 0 H VAL A 98 9.603 0.797 7.229 1.00 73.03 H new ATOM 0 HA VAL A 98 7.471 -0.438 8.409 1.00 14.31 H new ATOM 0 HB VAL A 98 7.782 1.239 5.957 1.00 13.13 H new ATOM 0 HG11 VAL A 98 5.323 1.452 5.837 1.00 53.03 H new ATOM 0 HG12 VAL A 98 5.868 -0.205 5.480 1.00 53.03 H new ATOM 0 HG13 VAL A 98 5.160 0.177 7.068 1.00 53.03 H new ATOM 0 HG21 VAL A 98 6.615 2.900 7.366 1.00 53.40 H new ATOM 0 HG22 VAL A 98 6.525 1.707 8.684 1.00 53.40 H new ATOM 0 HG23 VAL A 98 8.108 2.306 8.131 1.00 53.40 H new ATOM 1670 N TYR A 99 8.351 -1.964 5.685 1.00 23.41 N ATOM 1671 CA TYR A 99 8.147 -3.166 4.894 1.00 72.23 C ATOM 1672 C TYR A 99 8.647 -4.404 5.641 1.00 41.42 C ATOM 1673 O TYR A 99 7.949 -5.414 5.714 1.00 44.51 O ATOM 1674 CB TYR A 99 8.979 -2.981 3.624 1.00 73.42 C ATOM 1675 CG TYR A 99 9.355 -4.292 2.930 1.00 71.20 C ATOM 1676 CD1 TYR A 99 10.432 -5.026 3.379 1.00 10.12 C ATOM 1677 CD2 TYR A 99 8.616 -4.738 1.854 1.00 72.44 C ATOM 1678 CE1 TYR A 99 10.786 -6.260 2.726 1.00 13.41 C ATOM 1679 CE2 TYR A 99 8.968 -5.972 1.200 1.00 65.15 C ATOM 1680 CZ TYR A 99 10.036 -6.671 1.668 1.00 12.34 C ATOM 1681 OH TYR A 99 10.370 -7.837 1.051 1.00 34.03 O ATOM 0 H TYR A 99 9.181 -1.426 5.436 1.00 23.41 H new ATOM 0 HA TYR A 99 7.088 -3.311 4.682 1.00 72.23 H new ATOM 0 HB2 TYR A 99 8.422 -2.358 2.924 1.00 73.42 H new ATOM 0 HB3 TYR A 99 9.891 -2.440 3.875 1.00 73.42 H new ATOM 0 HD1 TYR A 99 11.011 -4.676 4.221 1.00 10.12 H new ATOM 0 HD2 TYR A 99 7.773 -4.162 1.502 1.00 72.44 H new ATOM 0 HE1 TYR A 99 11.627 -6.845 3.068 1.00 13.41 H new ATOM 0 HE2 TYR A 99 8.397 -6.334 0.358 1.00 65.15 H new ATOM 0 HH TYR A 99 9.635 -8.121 0.468 1.00 34.03 H new ATOM 1691 N GLU A 100 9.853 -4.286 6.178 1.00 24.12 N ATOM 1692 CA GLU A 100 10.455 -5.383 6.916 1.00 10.14 C ATOM 1693 C GLU A 100 9.761 -5.557 8.268 1.00 24.24 C ATOM 1694 O GLU A 100 10.070 -6.485 9.014 1.00 64.34 O ATOM 1695 CB GLU A 100 11.959 -5.165 7.095 1.00 52.12 C ATOM 1696 CG GLU A 100 12.244 -4.295 8.320 1.00 41.55 C ATOM 1697 CD GLU A 100 13.613 -3.621 8.207 1.00 3.21 C ATOM 1698 OE1 GLU A 100 14.223 -3.283 9.232 1.00 23.53 O ATOM 1699 OE2 GLU A 100 14.040 -3.454 7.002 1.00 74.24 O ATOM 0 H GLU A 100 10.429 -3.447 6.116 1.00 24.12 H new ATOM 0 HA GLU A 100 10.321 -6.299 6.340 1.00 10.14 H new ATOM 0 HB2 GLU A 100 12.459 -6.127 7.203 1.00 52.12 H new ATOM 0 HB3 GLU A 100 12.370 -4.691 6.204 1.00 52.12 H new ATOM 0 HG2 GLU A 100 11.468 -3.536 8.420 1.00 41.55 H new ATOM 0 HG3 GLU A 100 12.209 -4.907 9.221 1.00 41.55 H new ATOM 1707 N SER A 101 8.836 -4.649 8.544 1.00 23.43 N ATOM 1708 CA SER A 101 8.095 -4.690 9.793 1.00 33.22 C ATOM 1709 C SER A 101 6.634 -5.052 9.523 1.00 63.15 C ATOM 1710 O SER A 101 5.881 -5.342 10.453 1.00 0.10 O ATOM 1711 CB SER A 101 8.184 -3.352 10.529 1.00 23.11 C ATOM 1712 OG SER A 101 9.321 -3.288 11.387 1.00 11.13 O ATOM 0 H SER A 101 8.583 -3.880 7.923 1.00 23.43 H new ATOM 0 HA SER A 101 8.539 -5.455 10.430 1.00 33.22 H new ATOM 0 HB2 SER A 101 8.232 -2.541 9.802 1.00 23.11 H new ATOM 0 HB3 SER A 101 7.278 -3.200 11.116 1.00 23.11 H new ATOM 0 HG SER A 101 9.343 -2.418 11.837 1.00 11.13 H new ATOM 1718 N GLU A 102 6.276 -5.024 8.249 1.00 74.03 N ATOM 1719 CA GLU A 102 4.918 -5.345 7.845 1.00 73.55 C ATOM 1720 C GLU A 102 4.918 -6.528 6.875 1.00 44.54 C ATOM 1721 O GLU A 102 4.279 -7.547 7.132 1.00 34.43 O ATOM 1722 CB GLU A 102 4.227 -4.129 7.226 1.00 0.30 C ATOM 1723 CG GLU A 102 4.091 -2.996 8.246 1.00 75.10 C ATOM 1724 CD GLU A 102 3.154 -3.397 9.388 1.00 24.40 C ATOM 1725 OE1 GLU A 102 2.612 -4.512 9.382 1.00 30.04 O ATOM 1726 OE2 GLU A 102 3.000 -2.503 10.306 1.00 73.01 O ATOM 0 H GLU A 102 6.903 -4.784 7.481 1.00 74.03 H new ATOM 0 HA GLU A 102 4.354 -5.629 8.734 1.00 73.55 H new ATOM 0 HB2 GLU A 102 4.798 -3.781 6.365 1.00 0.30 H new ATOM 0 HB3 GLU A 102 3.241 -4.414 6.860 1.00 0.30 H new ATOM 0 HG2 GLU A 102 5.072 -2.743 8.647 1.00 75.10 H new ATOM 0 HG3 GLU A 102 3.708 -2.102 7.753 1.00 75.10 H new ATOM 1734 N ARG A 103 5.641 -6.354 5.779 1.00 73.01 N ATOM 1735 CA ARG A 103 5.734 -7.394 4.769 1.00 11.32 C ATOM 1736 C ARG A 103 5.785 -8.773 5.431 1.00 10.30 C ATOM 1737 O ARG A 103 6.244 -8.904 6.564 1.00 22.34 O ATOM 1738 CB ARG A 103 6.977 -7.207 3.898 1.00 73.24 C ATOM 1739 CG ARG A 103 8.226 -7.737 4.604 1.00 1.11 C ATOM 1740 CD ARG A 103 8.505 -9.190 4.209 1.00 64.23 C ATOM 1741 NE ARG A 103 9.962 -9.447 4.223 1.00 73.51 N ATOM 1742 CZ ARG A 103 10.515 -10.672 4.100 1.00 54.13 C ATOM 1743 NH1 ARG A 103 9.736 -11.764 3.951 1.00 40.42 N ATOM 1744 NH2 ARG A 103 11.830 -10.787 4.124 1.00 53.31 N ATOM 0 H ARG A 103 6.169 -5.507 5.568 1.00 73.01 H new ATOM 0 HA ARG A 103 4.849 -7.323 4.137 1.00 11.32 H new ATOM 0 HB2 ARG A 103 6.843 -7.727 2.950 1.00 73.24 H new ATOM 0 HB3 ARG A 103 7.107 -6.150 3.666 1.00 73.24 H new ATOM 0 HG2 ARG A 103 9.084 -7.116 4.348 1.00 1.11 H new ATOM 0 HG3 ARG A 103 8.094 -7.669 5.684 1.00 1.11 H new ATOM 0 HD2 ARG A 103 8.001 -9.866 4.900 1.00 64.23 H new ATOM 0 HD3 ARG A 103 8.102 -9.390 3.216 1.00 64.23 H new ATOM 0 HE ARG A 103 10.587 -8.649 4.332 1.00 73.51 H new ATOM 0 HH11 ARG A 103 8.721 -11.667 3.931 1.00 40.42 H new ATOM 0 HH12 ARG A 103 10.162 -12.686 3.859 1.00 40.42 H new ATOM 0 HH21 ARG A 103 12.413 -9.957 4.234 1.00 53.31 H new ATOM 0 HH22 ARG A 103 12.263 -11.706 4.032 1.00 53.31 H new ATOM 1757 N ASP A 104 5.309 -9.766 4.694 1.00 3.22 N ATOM 1758 CA ASP A 104 5.295 -11.129 5.195 1.00 24.23 C ATOM 1759 C ASP A 104 6.281 -11.975 4.385 1.00 52.11 C ATOM 1760 O ASP A 104 6.998 -11.454 3.533 1.00 14.33 O ATOM 1761 CB ASP A 104 3.907 -11.755 5.051 1.00 21.34 C ATOM 1762 CG ASP A 104 3.493 -12.680 6.197 1.00 33.24 C ATOM 1763 OD1 ASP A 104 3.111 -13.839 5.976 1.00 13.53 O ATOM 1764 OD2 ASP A 104 3.575 -12.160 7.374 1.00 12.42 O ATOM 0 H ASP A 104 4.930 -9.653 3.754 1.00 3.22 H new ATOM 0 HA ASP A 104 5.571 -11.104 6.249 1.00 24.23 H new ATOM 0 HB2 ASP A 104 3.171 -10.955 4.966 1.00 21.34 H new ATOM 0 HB3 ASP A 104 3.874 -12.319 4.119 1.00 21.34 H new ATOM 1770 N GLU A 105 6.286 -13.266 4.683 1.00 4.45 N ATOM 1771 CA GLU A 105 7.171 -14.190 3.993 1.00 23.41 C ATOM 1772 C GLU A 105 7.137 -13.932 2.485 1.00 43.50 C ATOM 1773 O GLU A 105 8.182 -13.867 1.839 1.00 71.12 O ATOM 1774 CB GLU A 105 6.805 -15.640 4.310 1.00 74.25 C ATOM 1775 CG GLU A 105 7.302 -16.040 5.701 1.00 61.33 C ATOM 1776 CD GLU A 105 7.197 -17.553 5.908 1.00 54.43 C ATOM 1777 OE1 GLU A 105 8.166 -18.186 6.352 1.00 41.24 O ATOM 1778 OE2 GLU A 105 6.058 -18.068 5.590 1.00 31.11 O ATOM 0 H GLU A 105 5.692 -13.694 5.393 1.00 4.45 H new ATOM 0 HA GLU A 105 8.188 -14.021 4.347 1.00 23.41 H new ATOM 0 HB2 GLU A 105 5.724 -15.766 4.256 1.00 74.25 H new ATOM 0 HB3 GLU A 105 7.240 -16.301 3.560 1.00 74.25 H new ATOM 0 HG2 GLU A 105 8.338 -15.723 5.826 1.00 61.33 H new ATOM 0 HG3 GLU A 105 6.717 -15.524 6.462 1.00 61.33 H new ATOM 1786 N ASP A 106 5.925 -13.795 1.968 1.00 14.21 N ATOM 1787 CA ASP A 106 5.741 -13.546 0.548 1.00 71.01 C ATOM 1788 C ASP A 106 6.810 -12.566 0.063 1.00 12.41 C ATOM 1789 O ASP A 106 7.475 -12.814 -0.942 1.00 41.35 O ATOM 1790 CB ASP A 106 4.370 -12.925 0.271 1.00 4.22 C ATOM 1791 CG ASP A 106 3.890 -11.922 1.322 1.00 72.31 C ATOM 1792 OD1 ASP A 106 2.890 -12.155 2.017 1.00 41.53 O ATOM 1793 OD2 ASP A 106 4.599 -10.849 1.415 1.00 55.23 O ATOM 0 H ASP A 106 5.061 -13.852 2.507 1.00 14.21 H new ATOM 0 HA ASP A 106 5.817 -14.500 0.026 1.00 71.01 H new ATOM 0 HB2 ASP A 106 4.403 -12.426 -0.697 1.00 4.22 H new ATOM 0 HB3 ASP A 106 3.635 -13.726 0.192 1.00 4.22 H new ATOM 1799 N GLY A 107 6.944 -11.474 0.800 1.00 33.44 N ATOM 1800 CA GLY A 107 7.922 -10.455 0.458 1.00 23.13 C ATOM 1801 C GLY A 107 7.248 -9.245 -0.193 1.00 31.21 C ATOM 1802 O GLY A 107 7.917 -8.279 -0.556 1.00 13.31 O ATOM 0 H GLY A 107 6.391 -11.272 1.633 1.00 33.44 H new ATOM 0 HA2 GLY A 107 8.454 -10.140 1.356 1.00 23.13 H new ATOM 0 HA3 GLY A 107 8.664 -10.872 -0.222 1.00 23.13 H new ATOM 1806 N PHE A 108 5.933 -9.338 -0.320 1.00 52.33 N ATOM 1807 CA PHE A 108 5.162 -8.262 -0.922 1.00 14.14 C ATOM 1808 C PHE A 108 4.337 -7.523 0.134 1.00 21.33 C ATOM 1809 O PHE A 108 3.687 -8.149 0.969 1.00 22.32 O ATOM 1810 CB PHE A 108 4.212 -8.906 -1.935 1.00 51.42 C ATOM 1811 CG PHE A 108 4.164 -8.188 -3.285 1.00 70.41 C ATOM 1812 CD1 PHE A 108 4.459 -6.863 -3.361 1.00 32.51 C ATOM 1813 CD2 PHE A 108 3.826 -8.875 -4.409 1.00 14.11 C ATOM 1814 CE1 PHE A 108 4.413 -6.196 -4.614 1.00 73.31 C ATOM 1815 CE2 PHE A 108 3.780 -8.208 -5.662 1.00 54.21 C ATOM 1816 CZ PHE A 108 4.075 -6.883 -5.738 1.00 4.21 C ATOM 0 H PHE A 108 5.381 -10.141 -0.017 1.00 52.33 H new ATOM 0 HA PHE A 108 5.831 -7.541 -1.392 1.00 14.14 H new ATOM 0 HB2 PHE A 108 4.515 -9.941 -2.096 1.00 51.42 H new ATOM 0 HB3 PHE A 108 3.208 -8.930 -1.512 1.00 51.42 H new ATOM 0 HD1 PHE A 108 4.728 -6.318 -2.469 1.00 32.51 H new ATOM 0 HD2 PHE A 108 3.593 -9.928 -4.349 1.00 14.11 H new ATOM 0 HE1 PHE A 108 4.646 -5.143 -4.674 1.00 73.31 H new ATOM 0 HE2 PHE A 108 3.511 -8.753 -6.554 1.00 54.21 H new ATOM 0 HZ PHE A 108 4.041 -6.376 -6.691 1.00 4.21 H new ATOM 1826 N LEU A 109 4.392 -6.201 0.061 1.00 21.41 N ATOM 1827 CA LEU A 109 3.657 -5.369 1.000 1.00 35.21 C ATOM 1828 C LEU A 109 2.188 -5.307 0.579 1.00 20.13 C ATOM 1829 O LEU A 109 1.875 -5.374 -0.609 1.00 53.12 O ATOM 1830 CB LEU A 109 4.319 -3.995 1.129 1.00 71.00 C ATOM 1831 CG LEU A 109 5.059 -3.728 2.440 1.00 51.53 C ATOM 1832 CD1 LEU A 109 5.437 -2.251 2.564 1.00 10.31 C ATOM 1833 CD2 LEU A 109 4.243 -4.213 3.639 1.00 53.35 C ATOM 0 H LEU A 109 4.933 -5.686 -0.633 1.00 21.41 H new ATOM 0 HA LEU A 109 3.684 -5.806 1.998 1.00 35.21 H new ATOM 0 HB2 LEU A 109 5.024 -3.875 0.306 1.00 71.00 H new ATOM 0 HB3 LEU A 109 3.551 -3.231 1.006 1.00 71.00 H new ATOM 0 HG LEU A 109 5.987 -4.299 2.431 1.00 51.53 H new ATOM 0 HD11 LEU A 109 5.962 -2.088 3.505 1.00 10.31 H new ATOM 0 HD12 LEU A 109 6.085 -1.970 1.733 1.00 10.31 H new ATOM 0 HD13 LEU A 109 4.534 -1.641 2.542 1.00 10.31 H new ATOM 0 HD21 LEU A 109 4.792 -4.011 4.559 1.00 53.35 H new ATOM 0 HD22 LEU A 109 3.287 -3.689 3.665 1.00 53.35 H new ATOM 0 HD23 LEU A 109 4.067 -5.285 3.550 1.00 53.35 H new ATOM 1845 N TYR A 110 1.325 -5.181 1.576 1.00 30.44 N ATOM 1846 CA TYR A 110 -0.105 -5.110 1.325 1.00 32.34 C ATOM 1847 C TYR A 110 -0.712 -3.858 1.963 1.00 41.52 C ATOM 1848 O TYR A 110 -0.768 -3.747 3.186 1.00 5.21 O ATOM 1849 CB TYR A 110 -0.711 -6.350 1.984 1.00 11.21 C ATOM 1850 CG TYR A 110 -0.205 -7.673 1.407 1.00 75.11 C ATOM 1851 CD1 TYR A 110 -0.826 -8.229 0.308 1.00 40.13 C ATOM 1852 CD2 TYR A 110 0.874 -8.310 1.986 1.00 65.35 C ATOM 1853 CE1 TYR A 110 -0.350 -9.474 -0.237 1.00 12.12 C ATOM 1854 CE2 TYR A 110 1.350 -9.556 1.441 1.00 23.30 C ATOM 1855 CZ TYR A 110 0.715 -10.076 0.358 1.00 64.21 C ATOM 1856 OH TYR A 110 1.165 -11.252 -0.156 1.00 75.44 O ATOM 0 H TYR A 110 1.588 -5.126 2.560 1.00 30.44 H new ATOM 0 HA TYR A 110 -0.305 -5.066 0.254 1.00 32.34 H new ATOM 0 HB2 TYR A 110 -0.493 -6.324 3.052 1.00 11.21 H new ATOM 0 HB3 TYR A 110 -1.795 -6.311 1.879 1.00 11.21 H new ATOM 0 HD1 TYR A 110 -1.670 -7.730 -0.144 1.00 40.13 H new ATOM 0 HD2 TYR A 110 1.361 -7.875 2.846 1.00 65.35 H new ATOM 0 HE1 TYR A 110 -0.827 -9.919 -1.098 1.00 12.12 H new ATOM 0 HE2 TYR A 110 2.193 -10.066 1.884 1.00 23.30 H new ATOM 0 HH TYR A 110 1.424 -11.851 0.575 1.00 75.44 H new ATOM 1866 N MET A 111 -1.150 -2.949 1.104 1.00 11.54 N ATOM 1867 CA MET A 111 -1.750 -1.710 1.568 1.00 54.55 C ATOM 1868 C MET A 111 -3.117 -1.486 0.919 1.00 15.42 C ATOM 1869 O MET A 111 -3.342 -1.894 -0.220 1.00 64.01 O ATOM 1870 CB MET A 111 -0.827 -0.537 1.232 1.00 60.14 C ATOM 1871 CG MET A 111 0.536 -0.701 1.909 1.00 4.13 C ATOM 1872 SD MET A 111 1.580 0.693 1.523 1.00 11.21 S ATOM 1873 CE MET A 111 3.079 -0.160 1.060 1.00 41.54 C ATOM 0 H MET A 111 -1.101 -3.046 0.090 1.00 11.54 H new ATOM 0 HA MET A 111 -1.887 -1.777 2.647 1.00 54.55 H new ATOM 0 HB2 MET A 111 -0.695 -0.471 0.152 1.00 60.14 H new ATOM 0 HB3 MET A 111 -1.287 0.397 1.555 1.00 60.14 H new ATOM 0 HG2 MET A 111 0.408 -0.782 2.988 1.00 4.13 H new ATOM 0 HG3 MET A 111 1.009 -1.624 1.574 1.00 4.13 H new ATOM 0 HE1 MET A 111 3.912 0.222 1.650 1.00 41.54 H new ATOM 0 HE2 MET A 111 2.962 -1.228 1.245 1.00 41.54 H new ATOM 0 HE3 MET A 111 3.279 0.005 0.001 1.00 41.54 H new ATOM 1883 N VAL A 112 -3.995 -0.838 1.670 1.00 22.04 N ATOM 1884 CA VAL A 112 -5.334 -0.555 1.181 1.00 51.41 C ATOM 1885 C VAL A 112 -5.619 0.942 1.325 1.00 34.21 C ATOM 1886 O VAL A 112 -5.664 1.464 2.437 1.00 73.33 O ATOM 1887 CB VAL A 112 -6.354 -1.431 1.912 1.00 73.25 C ATOM 1888 CG1 VAL A 112 -7.723 -0.751 1.963 1.00 50.42 C ATOM 1889 CG2 VAL A 112 -6.452 -2.815 1.266 1.00 14.04 C ATOM 0 H VAL A 112 -3.806 -0.501 2.614 1.00 22.04 H new ATOM 0 HA VAL A 112 -5.414 -0.801 0.122 1.00 51.41 H new ATOM 0 HB VAL A 112 -6.008 -1.564 2.937 1.00 73.25 H new ATOM 0 HG11 VAL A 112 -8.429 -1.394 2.488 1.00 50.42 H new ATOM 0 HG12 VAL A 112 -7.638 0.200 2.490 1.00 50.42 H new ATOM 0 HG13 VAL A 112 -8.079 -0.573 0.948 1.00 50.42 H new ATOM 0 HG21 VAL A 112 -7.184 -3.417 1.805 1.00 14.04 H new ATOM 0 HG22 VAL A 112 -6.763 -2.710 0.227 1.00 14.04 H new ATOM 0 HG23 VAL A 112 -5.479 -3.305 1.306 1.00 14.04 H new ATOM 1899 N TYR A 113 -5.803 1.588 0.184 1.00 40.11 N ATOM 1900 CA TYR A 113 -6.082 3.014 0.168 1.00 64.13 C ATOM 1901 C TYR A 113 -7.576 3.277 -0.026 1.00 45.34 C ATOM 1902 O TYR A 113 -8.294 2.436 -0.564 1.00 34.33 O ATOM 1903 CB TYR A 113 -5.317 3.580 -1.030 1.00 30.31 C ATOM 1904 CG TYR A 113 -5.977 3.299 -2.380 1.00 22.44 C ATOM 1905 CD1 TYR A 113 -7.101 4.005 -2.759 1.00 33.02 C ATOM 1906 CD2 TYR A 113 -5.450 2.339 -3.219 1.00 73.00 C ATOM 1907 CE1 TYR A 113 -7.723 3.739 -4.032 1.00 63.43 C ATOM 1908 CE2 TYR A 113 -6.072 2.073 -4.492 1.00 24.44 C ATOM 1909 CZ TYR A 113 -7.178 2.787 -4.835 1.00 23.23 C ATOM 1910 OH TYR A 113 -7.765 2.536 -6.035 1.00 43.21 O ATOM 0 H TYR A 113 -5.764 1.151 -0.737 1.00 40.11 H new ATOM 0 HA TYR A 113 -5.784 3.474 1.110 1.00 64.13 H new ATOM 0 HB2 TYR A 113 -5.214 4.658 -0.905 1.00 30.31 H new ATOM 0 HB3 TYR A 113 -4.310 3.162 -1.035 1.00 30.31 H new ATOM 0 HD1 TYR A 113 -7.514 4.756 -2.102 1.00 33.02 H new ATOM 0 HD2 TYR A 113 -4.571 1.786 -2.922 1.00 73.00 H new ATOM 0 HE1 TYR A 113 -8.603 4.284 -4.341 1.00 63.43 H new ATOM 0 HE2 TYR A 113 -5.669 1.324 -5.158 1.00 24.44 H new ATOM 0 HH TYR A 113 -8.361 3.278 -6.269 1.00 43.21 H new ATOM 1920 N ALA A 114 -8.001 4.450 0.422 1.00 13.04 N ATOM 1921 CA ALA A 114 -9.397 4.836 0.305 1.00 1.44 C ATOM 1922 C ALA A 114 -9.571 6.267 0.816 1.00 2.12 C ATOM 1923 O ALA A 114 -8.612 6.890 1.268 1.00 24.00 O ATOM 1924 CB ALA A 114 -10.269 3.835 1.065 1.00 12.02 C ATOM 0 H ALA A 114 -7.402 5.146 0.867 1.00 13.04 H new ATOM 0 HA ALA A 114 -9.714 4.818 -0.738 1.00 1.44 H new ATOM 0 HB1 ALA A 114 -11.316 4.125 0.977 1.00 12.02 H new ATOM 0 HB2 ALA A 114 -10.131 2.839 0.644 1.00 12.02 H new ATOM 0 HB3 ALA A 114 -9.982 3.827 2.116 1.00 12.02 H new ATOM 1930 N SER A 115 -10.803 6.748 0.727 1.00 54.31 N ATOM 1931 CA SER A 115 -11.115 8.094 1.176 1.00 61.52 C ATOM 1932 C SER A 115 -11.535 8.072 2.647 1.00 53.55 C ATOM 1933 O SER A 115 -12.363 8.876 3.072 1.00 63.34 O ATOM 1934 CB SER A 115 -12.217 8.718 0.318 1.00 1.23 C ATOM 1935 OG SER A 115 -12.658 9.967 0.841 1.00 60.44 O ATOM 0 H SER A 115 -11.596 6.229 0.351 1.00 54.31 H new ATOM 0 HA SER A 115 -10.219 8.706 1.071 1.00 61.52 H new ATOM 0 HB2 SER A 115 -11.849 8.860 -0.698 1.00 1.23 H new ATOM 0 HB3 SER A 115 -13.062 8.032 0.258 1.00 1.23 H new ATOM 0 HG SER A 115 -12.891 9.861 1.787 1.00 60.44 H new ATOM 1941 N GLN A 116 -10.947 7.142 3.383 1.00 43.31 N ATOM 1942 CA GLN A 116 -11.250 7.004 4.797 1.00 53.23 C ATOM 1943 C GLN A 116 -10.032 6.468 5.552 1.00 50.42 C ATOM 1944 O GLN A 116 -9.514 5.401 5.223 1.00 70.45 O ATOM 1945 CB GLN A 116 -12.468 6.103 5.012 1.00 2.11 C ATOM 1946 CG GLN A 116 -13.726 6.933 5.274 1.00 21.34 C ATOM 1947 CD GLN A 116 -14.989 6.091 5.083 1.00 22.22 C ATOM 1948 OE1 GLN A 116 -15.689 6.191 4.089 1.00 62.34 O ATOM 1949 NE2 GLN A 116 -15.240 5.258 6.089 1.00 55.11 N ATOM 0 H GLN A 116 -10.262 6.476 3.027 1.00 43.31 H new ATOM 0 HA GLN A 116 -11.494 7.990 5.193 1.00 53.23 H new ATOM 0 HB2 GLN A 116 -12.619 5.475 4.134 1.00 2.11 H new ATOM 0 HB3 GLN A 116 -12.287 5.436 5.854 1.00 2.11 H new ATOM 0 HG2 GLN A 116 -13.699 7.330 6.289 1.00 21.34 H new ATOM 0 HG3 GLN A 116 -13.749 7.788 4.598 1.00 21.34 H new ATOM 0 HE21 GLN A 116 -14.612 5.225 6.892 1.00 55.11 H new ATOM 0 HE22 GLN A 116 -16.060 4.653 6.057 1.00 55.11 H new ATOM 1958 N GLU A 117 -9.609 7.232 6.548 1.00 13.30 N ATOM 1959 CA GLU A 117 -8.462 6.847 7.352 1.00 34.21 C ATOM 1960 C GLU A 117 -8.904 6.496 8.775 1.00 42.32 C ATOM 1961 O GLU A 117 -8.104 6.012 9.575 1.00 54.41 O ATOM 1962 CB GLU A 117 -7.405 7.952 7.364 1.00 4.33 C ATOM 1963 CG GLU A 117 -6.569 7.899 8.643 1.00 44.23 C ATOM 1964 CD GLU A 117 -5.431 8.920 8.599 1.00 34.21 C ATOM 1965 OE1 GLU A 117 -5.263 9.704 9.545 1.00 13.12 O ATOM 1966 OE2 GLU A 117 -4.705 8.881 7.533 1.00 14.44 O ATOM 0 H GLU A 117 -10.040 8.116 6.817 1.00 13.30 H new ATOM 0 HA GLU A 117 -8.010 5.962 6.904 1.00 34.21 H new ATOM 0 HB2 GLU A 117 -6.754 7.847 6.496 1.00 4.33 H new ATOM 0 HB3 GLU A 117 -7.890 8.925 7.283 1.00 4.33 H new ATOM 0 HG2 GLU A 117 -7.205 8.096 9.506 1.00 44.23 H new ATOM 0 HG3 GLU A 117 -6.159 6.897 8.772 1.00 44.23 H new ATOM 1974 N THR A 118 -10.175 6.754 9.047 1.00 32.30 N ATOM 1975 CA THR A 118 -10.732 6.472 10.358 1.00 34.24 C ATOM 1976 C THR A 118 -12.067 5.738 10.224 1.00 33.31 C ATOM 1977 O THR A 118 -13.073 6.160 10.791 1.00 43.32 O ATOM 1978 CB THR A 118 -10.840 7.794 11.120 1.00 61.45 C ATOM 1979 OG1 THR A 118 -11.642 8.617 10.276 1.00 2.53 O ATOM 1980 CG2 THR A 118 -9.503 8.534 11.201 1.00 11.22 C ATOM 0 H THR A 118 -10.835 7.156 8.381 1.00 32.30 H new ATOM 0 HA THR A 118 -10.085 5.804 10.927 1.00 34.24 H new ATOM 0 HB THR A 118 -11.211 7.603 12.127 1.00 61.45 H new ATOM 0 HG1 THR A 118 -11.764 9.494 10.695 1.00 2.53 H new ATOM 0 HG21 THR A 118 -9.635 9.465 11.752 1.00 11.22 H new ATOM 0 HG22 THR A 118 -8.772 7.909 11.715 1.00 11.22 H new ATOM 0 HG23 THR A 118 -9.148 8.755 10.194 1.00 11.22 H new ATOM 2085 N ASP B 337 8.522 -5.570 -15.387 1.00 34.41 N ATOM 2086 CA ASP B 337 8.877 -4.542 -14.423 1.00 41.12 C ATOM 2087 C ASP B 337 7.611 -3.809 -13.976 1.00 44.23 C ATOM 2088 O ASP B 337 6.798 -3.405 -14.807 1.00 22.34 O ATOM 2089 CB ASP B 337 9.827 -3.513 -15.040 1.00 74.41 C ATOM 2090 CG ASP B 337 11.160 -4.078 -15.534 1.00 74.24 C ATOM 2091 OD1 ASP B 337 11.197 -5.052 -16.300 1.00 11.21 O ATOM 2092 OD2 ASP B 337 12.207 -3.467 -15.091 1.00 24.22 O ATOM 0 HA ASP B 337 9.369 -5.026 -13.579 1.00 41.12 H new ATOM 0 HB2 ASP B 337 9.322 -3.030 -15.877 1.00 74.41 H new ATOM 0 HB3 ASP B 337 10.030 -2.739 -14.300 1.00 74.41 H new ATOM 2098 N TRP B 338 7.482 -3.661 -12.666 1.00 31.21 N ATOM 2099 CA TRP B 338 6.329 -2.984 -12.099 1.00 33.50 C ATOM 2100 C TRP B 338 6.425 -1.500 -12.462 1.00 43.13 C ATOM 2101 O TRP B 338 7.048 -1.141 -13.460 1.00 24.04 O ATOM 2102 CB TRP B 338 6.238 -3.225 -10.592 1.00 13.13 C ATOM 2103 CG TRP B 338 6.493 -4.676 -10.177 1.00 73.14 C ATOM 2104 CD1 TRP B 338 6.700 -5.736 -10.971 1.00 63.32 C ATOM 2105 CD2 TRP B 338 6.562 -5.186 -8.829 1.00 60.44 C ATOM 2106 NE1 TRP B 338 6.895 -6.888 -10.235 1.00 24.21 N ATOM 2107 CE2 TRP B 338 6.809 -6.542 -8.891 1.00 21.50 C ATOM 2108 CE3 TRP B 338 6.420 -4.522 -7.597 1.00 41.01 C ATOM 2109 CZ2 TRP B 338 6.936 -7.351 -7.755 1.00 13.12 C ATOM 2110 CZ3 TRP B 338 6.550 -5.345 -6.472 1.00 42.51 C ATOM 2111 CH2 TRP B 338 6.798 -6.712 -6.517 1.00 22.23 C ATOM 0 H TRP B 338 8.158 -3.999 -11.981 1.00 31.21 H new ATOM 0 HA TRP B 338 5.404 -3.385 -12.514 1.00 33.50 H new ATOM 0 HB2 TRP B 338 6.959 -2.582 -10.087 1.00 13.13 H new ATOM 0 HB3 TRP B 338 5.248 -2.928 -10.246 1.00 13.13 H new ATOM 0 HD1 TRP B 338 6.713 -5.694 -12.050 1.00 63.32 H new ATOM 0 HE1 TRP B 338 7.070 -7.821 -10.608 1.00 24.21 H new ATOM 0 HE3 TRP B 338 6.226 -3.462 -7.525 1.00 41.01 H new ATOM 0 HZ2 TRP B 338 7.130 -8.411 -7.830 1.00 13.12 H new ATOM 0 HZ3 TRP B 338 6.451 -4.885 -5.500 1.00 42.51 H new ATOM 0 HH2 TRP B 338 6.884 -7.278 -5.601 1.00 22.23 H new ATOM 2122 N THR B 339 5.800 -0.678 -11.631 1.00 11.15 N ATOM 2123 CA THR B 339 5.809 0.757 -11.852 1.00 63.24 C ATOM 2124 C THR B 339 6.920 1.416 -11.032 1.00 75.25 C ATOM 2125 O THR B 339 7.396 0.845 -10.053 1.00 55.55 O ATOM 2126 CB THR B 339 4.413 1.293 -11.526 1.00 43.14 C ATOM 2127 OG1 THR B 339 4.212 2.338 -12.476 1.00 20.42 O ATOM 2128 CG2 THR B 339 4.361 2.006 -10.173 1.00 73.05 C ATOM 0 H THR B 339 5.284 -0.979 -10.804 1.00 11.15 H new ATOM 0 HA THR B 339 6.031 0.996 -12.892 1.00 63.24 H new ATOM 0 HB THR B 339 3.698 0.470 -11.531 1.00 43.14 H new ATOM 0 HG1 THR B 339 3.329 2.740 -12.338 1.00 20.42 H new ATOM 0 HG21 THR B 339 3.349 2.367 -9.991 1.00 73.05 H new ATOM 0 HG22 THR B 339 4.646 1.310 -9.384 1.00 73.05 H new ATOM 0 HG23 THR B 339 5.051 2.850 -10.180 1.00 73.05 H new ATOM 2136 N HIS B 340 7.300 2.611 -11.463 1.00 23.10 N ATOM 2137 CA HIS B 340 8.346 3.354 -10.781 1.00 53.35 C ATOM 2138 C HIS B 340 7.715 4.404 -9.865 1.00 55.35 C ATOM 2139 O HIS B 340 6.824 5.143 -10.282 1.00 75.31 O ATOM 2140 CB HIS B 340 9.327 3.958 -11.787 1.00 52.13 C ATOM 2141 CG HIS B 340 9.060 3.562 -13.220 1.00 4.34 C ATOM 2142 ND1 HIS B 340 9.540 2.389 -13.776 1.00 2.03 N ATOM 2143 CD2 HIS B 340 8.356 4.194 -14.203 1.00 35.32 C ATOM 2144 CE1 HIS B 340 9.139 2.329 -15.037 1.00 52.42 C ATOM 2145 NE2 HIS B 340 8.406 3.449 -15.300 1.00 32.50 N ATOM 0 H HIS B 340 6.902 3.082 -12.275 1.00 23.10 H new ATOM 0 HA HIS B 340 8.928 2.678 -10.155 1.00 53.35 H new ATOM 0 HB2 HIS B 340 9.289 5.044 -11.708 1.00 52.13 H new ATOM 0 HB3 HIS B 340 10.339 3.654 -11.519 1.00 52.13 H new ATOM 0 HD2 HIS B 340 7.845 5.140 -14.105 1.00 35.32 H new ATOM 0 HE1 HIS B 340 9.355 1.533 -15.734 1.00 52.42 H new ATOM 0 HE2 HIS B 340 7.968 3.676 -16.193 1.00 32.50 H new ATOM 2153 N LEU B 341 8.203 4.437 -8.633 1.00 42.45 N ATOM 2154 CA LEU B 341 7.697 5.386 -7.654 1.00 42.21 C ATOM 2155 C LEU B 341 8.661 6.570 -7.554 1.00 60.12 C ATOM 2156 O LEU B 341 9.542 6.588 -6.697 1.00 1.40 O ATOM 2157 CB LEU B 341 7.440 4.688 -6.317 1.00 45.14 C ATOM 2158 CG LEU B 341 6.369 3.596 -6.325 1.00 73.23 C ATOM 2159 CD1 LEU B 341 5.106 4.061 -5.597 1.00 65.35 C ATOM 2160 CD2 LEU B 341 6.069 3.133 -7.752 1.00 55.44 C ATOM 0 H LEU B 341 8.942 3.823 -8.290 1.00 42.45 H new ATOM 0 HA LEU B 341 6.733 5.785 -7.971 1.00 42.21 H new ATOM 0 HB2 LEU B 341 8.376 4.248 -5.974 1.00 45.14 H new ATOM 0 HB3 LEU B 341 7.155 5.443 -5.584 1.00 45.14 H new ATOM 0 HG LEU B 341 6.756 2.734 -5.781 1.00 73.23 H new ATOM 0 HD11 LEU B 341 4.361 3.266 -5.617 1.00 65.35 H new ATOM 0 HD12 LEU B 341 5.350 4.303 -4.563 1.00 65.35 H new ATOM 0 HD13 LEU B 341 4.706 4.946 -6.092 1.00 65.35 H new ATOM 0 HD21 LEU B 341 5.304 2.356 -7.729 1.00 55.44 H new ATOM 0 HD22 LEU B 341 5.711 3.978 -8.341 1.00 55.44 H new ATOM 0 HD23 LEU B 341 6.977 2.735 -8.204 1.00 55.44 H new ATOM 2172 N SER B 342 8.459 7.532 -8.443 1.00 53.43 N ATOM 2173 CA SER B 342 9.298 8.718 -8.466 1.00 62.22 C ATOM 2174 C SER B 342 8.675 9.816 -7.602 1.00 15.10 C ATOM 2175 O SER B 342 7.555 10.255 -7.861 1.00 21.54 O ATOM 2176 CB SER B 342 9.504 9.219 -9.896 1.00 33.03 C ATOM 2177 OG SER B 342 9.293 8.190 -10.859 1.00 21.10 O ATOM 0 H SER B 342 7.726 7.514 -9.153 1.00 53.43 H new ATOM 0 HA SER B 342 10.274 8.455 -8.059 1.00 62.22 H new ATOM 0 HB2 SER B 342 8.820 10.045 -10.093 1.00 33.03 H new ATOM 0 HB3 SER B 342 10.516 9.611 -10.000 1.00 33.03 H new ATOM 0 HG SER B 342 9.433 8.551 -11.759 1.00 21.10 H new ATOM 2183 N SER B 343 9.427 10.231 -6.594 1.00 0.25 N ATOM 2184 CA SER B 343 8.963 11.270 -5.690 1.00 53.03 C ATOM 2185 C SER B 343 9.310 12.649 -6.256 1.00 5.52 C ATOM 2186 O SER B 343 9.238 13.651 -5.546 1.00 30.55 O ATOM 2187 CB SER B 343 9.569 11.100 -4.296 1.00 24.32 C ATOM 2188 OG SER B 343 10.211 12.290 -3.844 1.00 14.53 O ATOM 0 H SER B 343 10.356 9.866 -6.383 1.00 0.25 H new ATOM 0 HA SER B 343 7.880 11.184 -5.598 1.00 53.03 H new ATOM 0 HB2 SER B 343 8.785 10.821 -3.592 1.00 24.32 H new ATOM 0 HB3 SER B 343 10.290 10.283 -4.311 1.00 24.32 H new ATOM 0 HG SER B 343 10.904 12.060 -3.191 1.00 14.53 H new ATOM 2194 N LYS B 344 9.679 12.655 -7.529 1.00 41.31 N ATOM 2195 CA LYS B 344 10.038 13.893 -8.197 1.00 25.42 C ATOM 2196 C LYS B 344 8.856 14.373 -9.043 1.00 71.41 C ATOM 2197 O LYS B 344 8.734 15.563 -9.327 1.00 5.30 O ATOM 2198 CB LYS B 344 11.332 13.717 -8.994 1.00 31.02 C ATOM 2199 CG LYS B 344 11.420 12.312 -9.592 1.00 5.42 C ATOM 2200 CD LYS B 344 11.996 11.320 -8.579 1.00 64.43 C ATOM 2201 CE LYS B 344 13.313 10.726 -9.081 1.00 14.43 C ATOM 2202 NZ LYS B 344 14.460 11.525 -8.597 1.00 22.20 N ATOM 0 H LYS B 344 9.737 11.822 -8.115 1.00 41.31 H new ATOM 0 HA LYS B 344 10.245 14.674 -7.465 1.00 25.42 H new ATOM 0 HB2 LYS B 344 11.376 14.459 -9.791 1.00 31.02 H new ATOM 0 HB3 LYS B 344 12.190 13.895 -8.345 1.00 31.02 H new ATOM 0 HG2 LYS B 344 10.429 11.983 -9.905 1.00 5.42 H new ATOM 0 HG3 LYS B 344 12.046 12.331 -10.484 1.00 5.42 H new ATOM 0 HD2 LYS B 344 12.160 11.822 -7.626 1.00 64.43 H new ATOM 0 HD3 LYS B 344 11.278 10.520 -8.399 1.00 64.43 H new ATOM 0 HE2 LYS B 344 13.409 9.696 -8.737 1.00 14.43 H new ATOM 0 HE3 LYS B 344 13.315 10.699 -10.171 1.00 14.43 H new ATOM 0 HZ1 LYS B 344 15.346 11.108 -8.947 1.00 22.20 H new ATOM 0 HZ2 LYS B 344 14.375 12.501 -8.946 1.00 22.20 H new ATOM 0 HZ3 LYS B 344 14.466 11.529 -7.557 1.00 22.20 H new ATOM 2215 N GLU B 345 8.016 13.421 -9.421 1.00 53.15 N ATOM 2216 CA GLU B 345 6.848 13.731 -10.228 1.00 4.44 C ATOM 2217 C GLU B 345 5.655 14.061 -9.330 1.00 23.22 C ATOM 2218 O GLU B 345 4.568 14.362 -9.821 1.00 21.12 O ATOM 2219 CB GLU B 345 6.516 12.578 -11.177 1.00 53.02 C ATOM 2220 CG GLU B 345 7.743 12.170 -11.995 1.00 14.22 C ATOM 2221 CD GLU B 345 7.341 11.721 -13.402 1.00 0.42 C ATOM 2222 OE1 GLU B 345 6.890 12.547 -14.210 1.00 61.52 O ATOM 2223 OE2 GLU B 345 7.510 10.466 -13.642 1.00 24.43 O ATOM 0 H GLU B 345 8.121 12.435 -9.183 1.00 53.15 H new ATOM 0 HA GLU B 345 7.073 14.607 -10.837 1.00 4.44 H new ATOM 0 HB2 GLU B 345 6.156 11.723 -10.604 1.00 53.02 H new ATOM 0 HB3 GLU B 345 5.710 12.875 -11.848 1.00 53.02 H new ATOM 0 HG2 GLU B 345 8.435 13.009 -12.061 1.00 14.22 H new ATOM 0 HG3 GLU B 345 8.270 11.361 -11.488 1.00 14.22 H new ATOM 2231 N VAL B 346 5.898 13.995 -8.028 1.00 4.42 N ATOM 2232 CA VAL B 346 4.856 14.285 -7.057 1.00 33.24 C ATOM 2233 C VAL B 346 4.760 15.798 -6.854 1.00 64.22 C ATOM 2234 O VAL B 346 5.637 16.543 -7.287 1.00 4.44 O ATOM 2235 CB VAL B 346 5.127 13.524 -5.757 1.00 73.12 C ATOM 2236 CG1 VAL B 346 5.533 12.077 -6.044 1.00 34.11 C ATOM 2237 CG2 VAL B 346 6.188 14.235 -4.916 1.00 13.23 C ATOM 0 H VAL B 346 6.801 13.745 -7.624 1.00 4.42 H new ATOM 0 HA VAL B 346 3.887 13.944 -7.423 1.00 33.24 H new ATOM 0 HB VAL B 346 4.202 13.505 -5.181 1.00 73.12 H new ATOM 0 HG11 VAL B 346 5.720 11.558 -5.104 1.00 34.11 H new ATOM 0 HG12 VAL B 346 4.730 11.574 -6.583 1.00 34.11 H new ATOM 0 HG13 VAL B 346 6.439 12.067 -6.650 1.00 34.11 H new ATOM 0 HG21 VAL B 346 6.361 13.673 -3.998 1.00 13.23 H new ATOM 0 HG22 VAL B 346 7.117 14.301 -5.482 1.00 13.23 H new ATOM 0 HG23 VAL B 346 5.843 15.239 -4.667 1.00 13.23 H new ATOM 2247 N ASP B 347 3.686 16.208 -6.196 1.00 64.45 N ATOM 2248 CA ASP B 347 3.463 17.619 -5.931 1.00 13.23 C ATOM 2249 C ASP B 347 4.539 18.128 -4.970 1.00 41.10 C ATOM 2250 O ASP B 347 4.595 19.321 -4.672 1.00 60.02 O ATOM 2251 CB ASP B 347 2.098 17.848 -5.277 1.00 11.14 C ATOM 2252 CG ASP B 347 1.697 19.316 -5.117 1.00 55.41 C ATOM 2253 OD1 ASP B 347 1.819 19.896 -4.028 1.00 44.22 O ATOM 2254 OD2 ASP B 347 1.234 19.874 -6.184 1.00 54.24 O ATOM 0 H ASP B 347 2.960 15.587 -5.838 1.00 64.45 H new ATOM 0 HA ASP B 347 3.501 18.151 -6.881 1.00 13.23 H new ATOM 0 HB2 ASP B 347 1.337 17.342 -5.871 1.00 11.14 H new ATOM 0 HB3 ASP B 347 2.099 17.378 -4.294 1.00 11.14 H new