USER MOD reduce.3.24.130724 H: found=0, std=0, add=971, rem=0, adj=24 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 42 LYS NZ :NH3+ -159:sc= -0.019 (180deg=0) USER MOD Set 1.2: A 43 GLN : amide:sc= -0.145 K(o=-0.16,f=-0.8!) USER MOD Single : A 15 GLN : amide:sc= -0.321 X(o=-0.32,f=-0.32) USER MOD Single : A 26 GLN :FLIP amide:sc= -0.497 F(o=-1.4,f=-0.5) USER MOD Single : A 27 HIS : no HD1:sc= -17.5! C(o=-18!,f=-23!) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0.0994 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 THR OG1 : rot -111:sc= 0.0689 USER MOD Single : A 51 LYS NZ :NH3+ -154:sc= -0.0627 (180deg=-0.394) USER MOD Single : A 57 HIS : no HD1:sc= -8.03! C(o=-8!,f=-11!) USER MOD Single : A 59 ASN : amide:sc= -0.379 X(o=-0.38,f=-0.041) USER MOD Single : A 60 MET CE :methyl 155:sc= -5.1! (180deg=-6.62!) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 ASN : amide:sc= -0.215 K(o=-0.22,f=-2!) USER MOD Single : A 76 ASN : amide:sc=-0.00501 X(o=-0.005,f=-0.049) USER MOD Single : A 77 GLN : amide:sc= -13.5! C(o=-14!,f=-19!) USER MOD Single : A 84 ASN : amide:sc= -1.43! C(o=-1.4!,f=-2.4!) USER MOD Single : A 86 HIS : no HD1:sc= -8.78! C(o=-8.8!,f=-13!) USER MOD Single : A 87 SER OG : rot 130:sc= -0.954 USER MOD Single : A 88 MET CE :methyl -150:sc= -1.44 (180deg=-2.37!) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 THR OG1 : rot 180:sc= -0.0578 USER MOD Single : A 96 SER OG : rot 180:sc= -0.618 USER MOD Single : A 99 TYR OH : rot 142:sc= 1.18 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 110 TYR OH : rot 107:sc= -0.909 USER MOD Single : A 111 MET CE :methyl -140:sc= -3.11 (180deg=-8.27!) USER MOD Single : A 113 TYR OH : rot 90:sc= 0.526 USER MOD Single : A 115 SER OG : rot -63:sc= 0.961 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 -160:sc= -1.16 USER MOD Single : B 340 HIS : no HD1:sc= -0.0862 X(o=-0.086,f=-0.086) USER MOD Single : B 342 SER OG : rot 180:sc= 0 USER MOD Single : B 343 SER OG : rot -140:sc= 0.989 USER MOD Single : B 344 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 221 N PHE A 13 0.118 -17.892 -3.035 1.00 41.44 N ATOM 222 CA PHE A 13 1.285 -17.429 -2.303 1.00 63.33 C ATOM 223 C PHE A 13 2.556 -17.591 -3.138 1.00 44.41 C ATOM 224 O PHE A 13 3.280 -16.624 -3.370 1.00 20.03 O ATOM 225 CB PHE A 13 1.400 -18.296 -1.048 1.00 2.14 C ATOM 226 CG PHE A 13 2.084 -17.599 0.130 1.00 71.11 C ATOM 227 CD1 PHE A 13 1.748 -16.323 0.455 1.00 23.23 C ATOM 228 CD2 PHE A 13 3.031 -18.258 0.851 1.00 5.52 C ATOM 229 CE1 PHE A 13 2.384 -15.676 1.546 1.00 5.13 C ATOM 230 CE2 PHE A 13 3.667 -17.611 1.944 1.00 33.33 C ATOM 231 CZ PHE A 13 3.331 -16.335 2.269 1.00 61.43 C ATOM 0 HA PHE A 13 1.175 -16.372 -2.059 1.00 63.33 H new ATOM 0 HB2 PHE A 13 0.402 -18.608 -0.742 1.00 2.14 H new ATOM 0 HB3 PHE A 13 1.956 -19.201 -1.294 1.00 2.14 H new ATOM 0 HD1 PHE A 13 0.996 -15.801 -0.118 1.00 23.23 H new ATOM 0 HD2 PHE A 13 3.299 -19.272 0.593 1.00 5.52 H new ATOM 0 HE1 PHE A 13 2.117 -14.661 1.803 1.00 5.13 H new ATOM 0 HE2 PHE A 13 4.418 -18.134 2.517 1.00 33.33 H new ATOM 0 HZ PHE A 13 3.815 -15.844 3.100 1.00 61.43 H new ATOM 241 N GLU A 14 2.789 -18.822 -3.569 1.00 55.44 N ATOM 242 CA GLU A 14 3.960 -19.124 -4.375 1.00 2.44 C ATOM 243 C GLU A 14 4.113 -18.095 -5.496 1.00 21.01 C ATOM 244 O GLU A 14 5.220 -17.638 -5.778 1.00 32.24 O ATOM 245 CB GLU A 14 3.887 -20.544 -4.940 1.00 3.33 C ATOM 246 CG GLU A 14 4.184 -21.582 -3.856 1.00 34.15 C ATOM 247 CD GLU A 14 5.689 -21.702 -3.610 1.00 72.44 C ATOM 248 OE1 GLU A 14 6.139 -21.616 -2.457 1.00 44.41 O ATOM 249 OE2 GLU A 14 6.401 -21.894 -4.669 1.00 21.22 O ATOM 0 H GLU A 14 2.187 -19.622 -3.375 1.00 55.44 H new ATOM 0 HA GLU A 14 4.841 -19.069 -3.735 1.00 2.44 H new ATOM 0 HB2 GLU A 14 2.896 -20.722 -5.357 1.00 3.33 H new ATOM 0 HB3 GLU A 14 4.601 -20.651 -5.757 1.00 3.33 H new ATOM 0 HG2 GLU A 14 3.682 -21.300 -2.930 1.00 34.15 H new ATOM 0 HG3 GLU A 14 3.782 -22.550 -4.155 1.00 34.15 H new ATOM 257 N GLN A 15 2.986 -17.761 -6.107 1.00 45.15 N ATOM 258 CA GLN A 15 2.980 -16.794 -7.192 1.00 41.13 C ATOM 259 C GLN A 15 3.299 -15.396 -6.659 1.00 53.54 C ATOM 260 O GLN A 15 4.065 -14.654 -7.271 1.00 72.22 O ATOM 261 CB GLN A 15 1.641 -16.808 -7.932 1.00 53.44 C ATOM 262 CG GLN A 15 1.538 -18.022 -8.857 1.00 54.20 C ATOM 263 CD GLN A 15 2.561 -17.934 -9.991 1.00 14.33 C ATOM 264 OE1 GLN A 15 3.527 -18.677 -10.049 1.00 75.04 O ATOM 265 NE2 GLN A 15 2.294 -16.990 -10.889 1.00 10.33 N ATOM 0 H GLN A 15 2.070 -18.143 -5.871 1.00 45.15 H new ATOM 0 HA GLN A 15 3.754 -17.074 -7.906 1.00 41.13 H new ATOM 0 HB2 GLN A 15 0.823 -16.825 -7.211 1.00 53.44 H new ATOM 0 HB3 GLN A 15 1.534 -15.893 -8.514 1.00 53.44 H new ATOM 0 HG2 GLN A 15 1.702 -18.935 -8.285 1.00 54.20 H new ATOM 0 HG3 GLN A 15 0.532 -18.083 -9.273 1.00 54.20 H new ATOM 0 HE21 GLN A 15 1.468 -16.402 -10.781 1.00 10.33 H new ATOM 0 HE22 GLN A 15 2.916 -16.854 -11.686 1.00 10.33 H new ATOM 274 N ARG A 16 2.693 -15.079 -5.524 1.00 3.03 N ATOM 275 CA ARG A 16 2.903 -13.782 -4.900 1.00 14.35 C ATOM 276 C ARG A 16 4.368 -13.620 -4.493 1.00 53.10 C ATOM 277 O ARG A 16 4.875 -12.501 -4.419 1.00 3.11 O ATOM 278 CB ARG A 16 2.015 -13.616 -3.666 1.00 24.11 C ATOM 279 CG ARG A 16 0.608 -14.156 -3.925 1.00 72.42 C ATOM 280 CD ARG A 16 -0.447 -13.306 -3.212 1.00 11.40 C ATOM 281 NE ARG A 16 -0.496 -11.955 -3.812 1.00 51.11 N ATOM 282 CZ ARG A 16 -0.954 -10.858 -3.171 1.00 12.01 C ATOM 283 NH1 ARG A 16 -1.406 -10.945 -1.902 1.00 15.11 N ATOM 284 NH2 ARG A 16 -0.952 -9.700 -3.804 1.00 73.11 N ATOM 0 H ARG A 16 2.057 -15.697 -5.020 1.00 3.03 H new ATOM 0 HA ARG A 16 2.639 -13.016 -5.629 1.00 14.35 H new ATOM 0 HB2 ARG A 16 2.460 -14.141 -2.821 1.00 24.11 H new ATOM 0 HB3 ARG A 16 1.959 -12.562 -3.393 1.00 24.11 H new ATOM 0 HG2 ARG A 16 0.410 -14.164 -4.997 1.00 72.42 H new ATOM 0 HG3 ARG A 16 0.542 -15.188 -3.581 1.00 72.42 H new ATOM 0 HD2 ARG A 16 -1.424 -13.783 -3.289 1.00 11.40 H new ATOM 0 HD3 ARG A 16 -0.211 -13.233 -2.150 1.00 11.40 H new ATOM 0 HE ARG A 16 -0.163 -11.845 -4.770 1.00 51.11 H new ATOM 0 HH11 ARG A 16 -1.403 -11.844 -1.420 1.00 15.11 H new ATOM 0 HH12 ARG A 16 -1.750 -10.112 -1.425 1.00 15.11 H new ATOM 0 HH21 ARG A 16 -0.608 -9.643 -4.763 1.00 73.11 H new ATOM 0 HH22 ARG A 16 -1.294 -8.862 -3.335 1.00 73.11 H new ATOM 297 N VAL A 17 5.008 -14.752 -4.240 1.00 23.21 N ATOM 298 CA VAL A 17 6.406 -14.749 -3.842 1.00 72.24 C ATOM 299 C VAL A 17 7.288 -14.708 -5.091 1.00 12.31 C ATOM 300 O VAL A 17 8.311 -14.027 -5.111 1.00 41.11 O ATOM 301 CB VAL A 17 6.696 -15.953 -2.943 1.00 61.12 C ATOM 302 CG1 VAL A 17 8.186 -16.037 -2.605 1.00 70.24 C ATOM 303 CG2 VAL A 17 5.846 -15.907 -1.672 1.00 4.10 C ATOM 0 H VAL A 17 4.584 -15.678 -4.303 1.00 23.21 H new ATOM 0 HA VAL A 17 6.634 -13.859 -3.255 1.00 72.24 H new ATOM 0 HB VAL A 17 6.425 -16.855 -3.492 1.00 61.12 H new ATOM 0 HG11 VAL A 17 8.366 -16.901 -1.965 1.00 70.24 H new ATOM 0 HG12 VAL A 17 8.762 -16.140 -3.524 1.00 70.24 H new ATOM 0 HG13 VAL A 17 8.493 -15.130 -2.084 1.00 70.24 H new ATOM 0 HG21 VAL A 17 6.072 -16.774 -1.051 1.00 4.10 H new ATOM 0 HG22 VAL A 17 6.070 -14.996 -1.117 1.00 4.10 H new ATOM 0 HG23 VAL A 17 4.790 -15.918 -1.940 1.00 4.10 H new ATOM 313 N GLU A 18 6.859 -15.448 -6.103 1.00 25.41 N ATOM 314 CA GLU A 18 7.597 -15.504 -7.354 1.00 5.04 C ATOM 315 C GLU A 18 7.754 -14.100 -7.941 1.00 14.13 C ATOM 316 O GLU A 18 8.856 -13.701 -8.316 1.00 42.13 O ATOM 317 CB GLU A 18 6.913 -16.442 -8.352 1.00 74.55 C ATOM 318 CG GLU A 18 7.926 -17.021 -9.342 1.00 43.23 C ATOM 319 CD GLU A 18 7.228 -17.542 -10.599 1.00 34.23 C ATOM 320 OE1 GLU A 18 7.758 -18.433 -11.279 1.00 42.32 O ATOM 321 OE2 GLU A 18 6.091 -16.989 -10.860 1.00 63.31 O ATOM 0 H GLU A 18 6.010 -16.013 -6.082 1.00 25.41 H new ATOM 0 HA GLU A 18 8.590 -15.904 -7.150 1.00 5.04 H new ATOM 0 HB2 GLU A 18 6.419 -17.252 -7.816 1.00 74.55 H new ATOM 0 HB3 GLU A 18 6.138 -15.900 -8.894 1.00 74.55 H new ATOM 0 HG2 GLU A 18 8.651 -16.255 -9.616 1.00 43.23 H new ATOM 0 HG3 GLU A 18 8.481 -17.830 -8.868 1.00 43.23 H new ATOM 329 N ASP A 19 6.637 -13.391 -8.003 1.00 32.14 N ATOM 330 CA ASP A 19 6.638 -12.040 -8.539 1.00 24.24 C ATOM 331 C ASP A 19 7.663 -11.195 -7.779 1.00 51.31 C ATOM 332 O ASP A 19 8.246 -10.268 -8.340 1.00 42.23 O ATOM 333 CB ASP A 19 5.267 -11.381 -8.374 1.00 51.12 C ATOM 334 CG ASP A 19 4.991 -10.215 -9.324 1.00 40.34 C ATOM 335 OD1 ASP A 19 5.918 -9.625 -9.898 1.00 21.13 O ATOM 336 OD2 ASP A 19 3.746 -9.913 -9.470 1.00 21.13 O ATOM 0 H ASP A 19 5.725 -13.726 -7.691 1.00 32.14 H new ATOM 0 HA ASP A 19 6.885 -12.098 -9.599 1.00 24.24 H new ATOM 0 HB2 ASP A 19 4.497 -12.138 -8.520 1.00 51.12 H new ATOM 0 HB3 ASP A 19 5.173 -11.024 -7.348 1.00 51.12 H new ATOM 342 N VAL A 20 7.850 -11.545 -6.515 1.00 71.23 N ATOM 343 CA VAL A 20 8.794 -10.831 -5.673 1.00 54.42 C ATOM 344 C VAL A 20 10.217 -11.267 -6.025 1.00 35.23 C ATOM 345 O VAL A 20 11.163 -10.497 -5.869 1.00 13.24 O ATOM 346 CB VAL A 20 8.449 -11.049 -4.198 1.00 4.51 C ATOM 347 CG1 VAL A 20 9.651 -10.744 -3.303 1.00 23.14 C ATOM 348 CG2 VAL A 20 7.235 -10.212 -3.790 1.00 35.51 C ATOM 0 H VAL A 20 7.364 -12.314 -6.054 1.00 71.23 H new ATOM 0 HA VAL A 20 8.730 -9.758 -5.853 1.00 54.42 H new ATOM 0 HB VAL A 20 8.191 -12.100 -4.066 1.00 4.51 H new ATOM 0 HG11 VAL A 20 9.379 -10.907 -2.260 1.00 23.14 H new ATOM 0 HG12 VAL A 20 10.479 -11.401 -3.569 1.00 23.14 H new ATOM 0 HG13 VAL A 20 9.953 -9.706 -3.441 1.00 23.14 H new ATOM 0 HG21 VAL A 20 7.011 -10.385 -2.737 1.00 35.51 H new ATOM 0 HG22 VAL A 20 7.453 -9.155 -3.946 1.00 35.51 H new ATOM 0 HG23 VAL A 20 6.375 -10.498 -4.396 1.00 35.51 H new ATOM 358 N ARG A 21 10.324 -12.503 -6.493 1.00 73.35 N ATOM 359 CA ARG A 21 11.616 -13.051 -6.868 1.00 12.33 C ATOM 360 C ARG A 21 12.226 -12.238 -8.011 1.00 3.32 C ATOM 361 O ARG A 21 13.438 -12.026 -8.049 1.00 20.04 O ATOM 362 CB ARG A 21 11.489 -14.513 -7.303 1.00 32.23 C ATOM 363 CG ARG A 21 12.863 -15.176 -7.408 1.00 24.21 C ATOM 364 CD ARG A 21 12.798 -16.442 -8.265 1.00 65.53 C ATOM 365 NE ARG A 21 14.102 -17.140 -8.237 1.00 31.50 N ATOM 366 CZ ARG A 21 14.457 -18.115 -9.101 1.00 64.23 C ATOM 367 NH1 ARG A 21 13.606 -18.516 -10.070 1.00 64.10 N ATOM 368 NH2 ARG A 21 15.649 -18.671 -8.984 1.00 2.31 N ATOM 0 H ARG A 21 9.537 -13.139 -6.621 1.00 73.35 H new ATOM 0 HA ARG A 21 12.265 -12.999 -5.994 1.00 12.33 H new ATOM 0 HB2 ARG A 21 10.873 -15.057 -6.587 1.00 32.23 H new ATOM 0 HB3 ARG A 21 10.981 -14.567 -8.266 1.00 32.23 H new ATOM 0 HG2 ARG A 21 13.576 -14.475 -7.842 1.00 24.21 H new ATOM 0 HG3 ARG A 21 13.227 -15.426 -6.411 1.00 24.21 H new ATOM 0 HD2 ARG A 21 12.015 -17.103 -7.893 1.00 65.53 H new ATOM 0 HD3 ARG A 21 12.537 -16.183 -9.291 1.00 65.53 H new ATOM 0 HE ARG A 21 14.775 -16.868 -7.520 1.00 31.50 H new ATOM 0 HH11 ARG A 21 12.687 -18.082 -10.153 1.00 64.10 H new ATOM 0 HH12 ARG A 21 13.882 -19.253 -10.718 1.00 64.10 H new ATOM 0 HH21 ARG A 21 16.286 -18.363 -8.249 1.00 2.31 H new ATOM 0 HH22 ARG A 21 15.933 -19.409 -9.628 1.00 2.31 H new ATOM 381 N LEU A 22 11.360 -11.805 -8.916 1.00 21.23 N ATOM 382 CA LEU A 22 11.799 -11.019 -10.056 1.00 44.20 C ATOM 383 C LEU A 22 12.117 -9.595 -9.597 1.00 44.01 C ATOM 384 O LEU A 22 13.232 -9.111 -9.792 1.00 64.33 O ATOM 385 CB LEU A 22 10.765 -11.086 -11.182 1.00 45.15 C ATOM 386 CG LEU A 22 10.551 -12.462 -11.815 1.00 0.33 C ATOM 387 CD1 LEU A 22 10.212 -12.336 -13.302 1.00 14.41 C ATOM 388 CD2 LEU A 22 11.760 -13.370 -11.578 1.00 33.03 C ATOM 0 H LEU A 22 10.356 -11.984 -8.882 1.00 21.23 H new ATOM 0 HA LEU A 22 12.718 -11.432 -10.472 1.00 44.20 H new ATOM 0 HB2 LEU A 22 9.810 -10.735 -10.792 1.00 45.15 H new ATOM 0 HB3 LEU A 22 11.065 -10.390 -11.966 1.00 45.15 H new ATOM 0 HG LEU A 22 9.696 -12.931 -11.328 1.00 0.33 H new ATOM 0 HD11 LEU A 22 10.065 -13.329 -13.727 1.00 14.41 H new ATOM 0 HD12 LEU A 22 9.299 -11.752 -13.419 1.00 14.41 H new ATOM 0 HD13 LEU A 22 11.030 -11.837 -13.821 1.00 14.41 H new ATOM 0 HD21 LEU A 22 11.581 -14.342 -12.038 1.00 33.03 H new ATOM 0 HD22 LEU A 22 12.647 -12.917 -12.020 1.00 33.03 H new ATOM 0 HD23 LEU A 22 11.914 -13.499 -10.507 1.00 33.03 H new ATOM 400 N ILE A 23 11.118 -8.964 -8.997 1.00 72.43 N ATOM 401 CA ILE A 23 11.279 -7.604 -8.509 1.00 73.03 C ATOM 402 C ILE A 23 12.513 -7.533 -7.610 1.00 50.41 C ATOM 403 O ILE A 23 13.137 -6.478 -7.488 1.00 52.54 O ATOM 404 CB ILE A 23 9.994 -7.125 -7.831 1.00 1.30 C ATOM 405 CG1 ILE A 23 9.582 -5.746 -8.349 1.00 62.53 C ATOM 406 CG2 ILE A 23 10.139 -7.144 -6.307 1.00 72.53 C ATOM 407 CD1 ILE A 23 9.388 -5.767 -9.866 1.00 24.34 C ATOM 0 H ILE A 23 10.195 -9.368 -8.838 1.00 72.43 H new ATOM 0 HA ILE A 23 11.450 -6.918 -9.338 1.00 73.03 H new ATOM 0 HB ILE A 23 9.193 -7.818 -8.088 1.00 1.30 H new ATOM 0 HG12 ILE A 23 8.657 -5.433 -7.865 1.00 62.53 H new ATOM 0 HG13 ILE A 23 10.344 -5.012 -8.086 1.00 62.53 H new ATOM 0 HG21 ILE A 23 9.212 -6.799 -5.849 1.00 72.53 H new ATOM 0 HG22 ILE A 23 10.352 -8.160 -5.974 1.00 72.53 H new ATOM 0 HG23 ILE A 23 10.956 -6.486 -6.011 1.00 72.53 H new ATOM 0 HD11 ILE A 23 9.095 -4.775 -10.209 1.00 24.34 H new ATOM 0 HD12 ILE A 23 10.322 -6.057 -10.348 1.00 24.34 H new ATOM 0 HD13 ILE A 23 8.609 -6.484 -10.123 1.00 24.34 H new ATOM 419 N ARG A 24 12.831 -8.666 -7.003 1.00 12.34 N ATOM 420 CA ARG A 24 13.981 -8.745 -6.117 1.00 45.23 C ATOM 421 C ARG A 24 15.278 -8.698 -6.927 1.00 1.14 C ATOM 422 O ARG A 24 16.285 -8.166 -6.462 1.00 74.04 O ATOM 423 CB ARG A 24 13.952 -10.030 -5.289 1.00 34.14 C ATOM 424 CG ARG A 24 13.341 -9.780 -3.909 1.00 13.13 C ATOM 425 CD ARG A 24 14.158 -8.750 -3.126 1.00 0.34 C ATOM 426 NE ARG A 24 15.603 -9.034 -3.271 1.00 52.12 N ATOM 427 CZ ARG A 24 16.577 -8.117 -3.091 1.00 54.35 C ATOM 428 NH1 ARG A 24 16.267 -6.846 -2.755 1.00 71.43 N ATOM 429 NH2 ARG A 24 17.836 -8.481 -3.248 1.00 1.01 N ATOM 0 H ARG A 24 12.312 -9.538 -7.107 1.00 12.34 H new ATOM 0 HA ARG A 24 13.938 -7.891 -5.441 1.00 45.23 H new ATOM 0 HB2 ARG A 24 13.375 -10.792 -5.813 1.00 34.14 H new ATOM 0 HB3 ARG A 24 14.965 -10.418 -5.177 1.00 34.14 H new ATOM 0 HG2 ARG A 24 12.315 -9.428 -4.020 1.00 13.13 H new ATOM 0 HG3 ARG A 24 13.298 -10.716 -3.351 1.00 13.13 H new ATOM 0 HD2 ARG A 24 13.938 -7.746 -3.490 1.00 0.34 H new ATOM 0 HD3 ARG A 24 13.878 -8.776 -2.073 1.00 0.34 H new ATOM 0 HE ARG A 24 15.881 -9.983 -3.523 1.00 52.12 H new ATOM 0 HH11 ARG A 24 15.291 -6.574 -2.636 1.00 71.43 H new ATOM 0 HH12 ARG A 24 17.009 -6.159 -2.621 1.00 71.43 H new ATOM 0 HH21 ARG A 24 18.061 -9.443 -3.502 1.00 1.01 H new ATOM 0 HH22 ARG A 24 18.584 -7.800 -3.116 1.00 1.01 H new ATOM 442 N GLU A 25 15.212 -9.261 -8.125 1.00 75.54 N ATOM 443 CA GLU A 25 16.369 -9.289 -9.003 1.00 71.24 C ATOM 444 C GLU A 25 16.254 -8.196 -10.068 1.00 4.54 C ATOM 445 O GLU A 25 17.174 -7.996 -10.860 1.00 51.11 O ATOM 446 CB GLU A 25 16.533 -10.666 -9.648 1.00 21.24 C ATOM 447 CG GLU A 25 15.604 -10.823 -10.854 1.00 65.42 C ATOM 448 CD GLU A 25 15.805 -12.180 -11.529 1.00 43.43 C ATOM 449 OE1 GLU A 25 15.277 -13.195 -11.048 1.00 42.04 O ATOM 450 OE2 GLU A 25 16.538 -12.160 -12.591 1.00 50.21 O ATOM 0 H GLU A 25 14.375 -9.701 -8.508 1.00 75.54 H new ATOM 0 HA GLU A 25 17.259 -9.095 -8.405 1.00 71.24 H new ATOM 0 HB2 GLU A 25 17.568 -10.803 -9.962 1.00 21.24 H new ATOM 0 HB3 GLU A 25 16.317 -11.443 -8.915 1.00 21.24 H new ATOM 0 HG2 GLU A 25 14.567 -10.722 -10.534 1.00 65.42 H new ATOM 0 HG3 GLU A 25 15.795 -10.025 -11.571 1.00 65.42 H new ATOM 458 N GLN A 26 15.117 -7.515 -10.052 1.00 42.22 N ATOM 459 CA GLN A 26 14.870 -6.448 -11.006 1.00 1.04 C ATOM 460 C GLN A 26 14.833 -5.096 -10.291 1.00 74.23 C ATOM 461 O GLN A 26 14.963 -4.050 -10.926 1.00 72.32 O ATOM 462 CB GLN A 26 13.574 -6.693 -11.781 1.00 4.32 C ATOM 463 CG GLN A 26 13.664 -7.978 -12.608 1.00 11.50 C ATOM 464 CD GLN A 26 12.508 -8.071 -13.606 1.00 70.32 C ATOM 465 OE1 GLN A 26 11.331 -8.335 -13.047 1.00 21.42 O flip ATOM 466 NE2 GLN A 26 12.675 -7.913 -14.804 1.00 14.23 N flip ATOM 0 H GLN A 26 14.357 -7.682 -9.393 1.00 42.22 H new ATOM 0 HA GLN A 26 15.688 -6.435 -11.726 1.00 1.04 H new ATOM 0 HB2 GLN A 26 12.738 -6.762 -11.085 1.00 4.32 H new ATOM 0 HB3 GLN A 26 13.373 -5.847 -12.438 1.00 4.32 H new ATOM 0 HG2 GLN A 26 14.613 -8.005 -13.143 1.00 11.50 H new ATOM 0 HG3 GLN A 26 13.647 -8.843 -11.945 1.00 11.50 H new ATOM 0 HE21 GLN A 26 13.607 -7.713 -15.167 1.00 14.23 H new ATOM 0 HE22 GLN A 26 11.883 -7.981 -15.443 1.00 14.23 H new ATOM 475 N HIS A 27 14.655 -5.160 -8.980 1.00 51.23 N ATOM 476 CA HIS A 27 14.598 -3.953 -8.172 1.00 52.43 C ATOM 477 C HIS A 27 14.871 -4.304 -6.708 1.00 72.33 C ATOM 478 O HIS A 27 13.977 -4.212 -5.868 1.00 1.33 O ATOM 479 CB HIS A 27 13.266 -3.228 -8.371 1.00 21.24 C ATOM 480 CG HIS A 27 13.040 -2.735 -9.780 1.00 74.33 C ATOM 481 ND1 HIS A 27 13.396 -1.464 -10.195 1.00 31.43 N ATOM 482 CD2 HIS A 27 12.492 -3.355 -10.864 1.00 21.41 C ATOM 483 CE1 HIS A 27 13.070 -1.335 -11.474 1.00 74.54 C ATOM 484 NE2 HIS A 27 12.510 -2.508 -11.886 1.00 22.24 N ATOM 0 H HIS A 27 14.548 -6.029 -8.457 1.00 51.23 H new ATOM 0 HA HIS A 27 15.373 -3.258 -8.494 1.00 52.43 H new ATOM 0 HB2 HIS A 27 12.453 -3.901 -8.098 1.00 21.24 H new ATOM 0 HB3 HIS A 27 13.220 -2.379 -7.688 1.00 21.24 H new ATOM 0 HD2 HIS A 27 12.108 -4.364 -10.887 1.00 21.41 H new ATOM 0 HE1 HIS A 27 13.221 -0.456 -12.082 1.00 74.54 H new ATOM 0 HE2 HIS A 27 12.162 -2.703 -12.825 1.00 22.24 H new ATOM 492 N PRO A 28 16.142 -4.707 -6.440 1.00 55.03 N ATOM 493 CA PRO A 28 16.543 -5.072 -5.093 1.00 41.14 C ATOM 494 C PRO A 28 16.717 -3.828 -4.217 1.00 41.12 C ATOM 495 O PRO A 28 16.576 -3.899 -2.998 1.00 74.04 O ATOM 496 CB PRO A 28 17.830 -5.862 -5.265 1.00 22.43 C ATOM 497 CG PRO A 28 18.349 -5.516 -6.652 1.00 40.31 C ATOM 498 CD PRO A 28 17.226 -4.827 -7.411 1.00 2.23 C ATOM 0 HA PRO A 28 15.791 -5.670 -4.578 1.00 41.14 H new ATOM 0 HB2 PRO A 28 18.557 -5.596 -4.498 1.00 22.43 H new ATOM 0 HB3 PRO A 28 17.647 -6.932 -5.172 1.00 22.43 H new ATOM 0 HG2 PRO A 28 19.219 -4.863 -6.582 1.00 40.31 H new ATOM 0 HG3 PRO A 28 18.668 -6.417 -7.176 1.00 40.31 H new ATOM 0 HD2 PRO A 28 17.538 -3.850 -7.779 1.00 2.23 H new ATOM 0 HD3 PRO A 28 16.918 -5.411 -8.278 1.00 2.23 H new ATOM 506 N THR A 29 17.022 -2.719 -4.875 1.00 63.23 N ATOM 507 CA THR A 29 17.215 -1.462 -4.172 1.00 35.40 C ATOM 508 C THR A 29 15.879 -0.743 -3.984 1.00 2.51 C ATOM 509 O THR A 29 15.846 0.429 -3.616 1.00 3.01 O ATOM 510 CB THR A 29 18.244 -0.639 -4.951 1.00 72.21 C ATOM 511 OG1 THR A 29 17.778 -0.686 -6.297 1.00 20.14 O ATOM 512 CG2 THR A 29 19.615 -1.317 -5.007 1.00 4.31 C ATOM 0 H THR A 29 17.140 -2.665 -5.887 1.00 63.23 H new ATOM 0 HA THR A 29 17.602 -1.627 -3.166 1.00 35.40 H new ATOM 0 HB THR A 29 18.344 0.345 -4.493 1.00 72.21 H new ATOM 0 HG1 THR A 29 18.386 -0.176 -6.872 1.00 20.14 H new ATOM 0 HG21 THR A 29 20.307 -0.692 -5.571 1.00 4.31 H new ATOM 0 HG22 THR A 29 19.994 -1.456 -3.994 1.00 4.31 H new ATOM 0 HG23 THR A 29 19.522 -2.287 -5.496 1.00 4.31 H new ATOM 520 N LYS A 30 14.807 -1.477 -4.247 1.00 73.12 N ATOM 521 CA LYS A 30 13.470 -0.925 -4.111 1.00 13.34 C ATOM 522 C LYS A 30 12.640 -1.827 -3.195 1.00 74.25 C ATOM 523 O LYS A 30 13.018 -2.969 -2.935 1.00 52.32 O ATOM 524 CB LYS A 30 12.840 -0.701 -5.487 1.00 53.11 C ATOM 525 CG LYS A 30 13.802 0.044 -6.416 1.00 74.24 C ATOM 526 CD LYS A 30 13.495 1.543 -6.434 1.00 31.34 C ATOM 527 CE LYS A 30 13.660 2.119 -7.841 1.00 62.14 C ATOM 528 NZ LYS A 30 12.417 1.940 -8.624 1.00 64.44 N ATOM 0 H LYS A 30 14.838 -2.449 -4.554 1.00 73.12 H new ATOM 0 HA LYS A 30 13.511 0.057 -3.640 1.00 13.34 H new ATOM 0 HB2 LYS A 30 12.572 -1.661 -5.929 1.00 53.11 H new ATOM 0 HB3 LYS A 30 11.917 -0.131 -5.380 1.00 53.11 H new ATOM 0 HG2 LYS A 30 14.829 -0.117 -6.087 1.00 74.24 H new ATOM 0 HG3 LYS A 30 13.724 -0.359 -7.426 1.00 74.24 H new ATOM 0 HD2 LYS A 30 12.477 1.714 -6.084 1.00 31.34 H new ATOM 0 HD3 LYS A 30 14.160 2.062 -5.744 1.00 31.34 H new ATOM 0 HE2 LYS A 30 13.909 3.178 -7.780 1.00 62.14 H new ATOM 0 HE3 LYS A 30 14.490 1.626 -8.347 1.00 62.14 H new ATOM 0 HZ1 LYS A 30 12.547 2.337 -9.577 1.00 64.44 H new ATOM 0 HZ2 LYS A 30 12.196 0.926 -8.698 1.00 64.44 H new ATOM 0 HZ3 LYS A 30 11.633 2.431 -8.148 1.00 64.44 H new ATOM 541 N ILE A 31 11.526 -1.280 -2.732 1.00 11.23 N ATOM 542 CA ILE A 31 10.640 -2.022 -1.850 1.00 34.53 C ATOM 543 C ILE A 31 9.343 -2.348 -2.594 1.00 61.33 C ATOM 544 O ILE A 31 8.589 -1.447 -2.959 1.00 14.43 O ATOM 545 CB ILE A 31 10.422 -1.258 -0.543 1.00 2.23 C ATOM 546 CG1 ILE A 31 11.749 -1.029 0.186 1.00 63.34 C ATOM 547 CG2 ILE A 31 9.396 -1.968 0.344 1.00 3.42 C ATOM 548 CD1 ILE A 31 12.338 -2.353 0.679 1.00 43.44 C ATOM 0 H ILE A 31 11.216 -0.333 -2.950 1.00 11.23 H new ATOM 0 HA ILE A 31 11.094 -2.972 -1.566 1.00 34.53 H new ATOM 0 HB ILE A 31 10.013 -0.277 -0.785 1.00 2.23 H new ATOM 0 HG12 ILE A 31 12.456 -0.539 -0.483 1.00 63.34 H new ATOM 0 HG13 ILE A 31 11.593 -0.359 1.031 1.00 63.34 H new ATOM 0 HG21 ILE A 31 9.260 -1.404 1.267 1.00 3.42 H new ATOM 0 HG22 ILE A 31 8.444 -2.036 -0.183 1.00 3.42 H new ATOM 0 HG23 ILE A 31 9.752 -2.971 0.581 1.00 3.42 H new ATOM 0 HD11 ILE A 31 13.280 -2.163 1.193 1.00 43.44 H new ATOM 0 HD12 ILE A 31 11.639 -2.829 1.367 1.00 43.44 H new ATOM 0 HD13 ILE A 31 12.515 -3.011 -0.171 1.00 43.44 H new ATOM 560 N PRO A 32 9.118 -3.673 -2.804 1.00 41.13 N ATOM 561 CA PRO A 32 7.926 -4.129 -3.498 1.00 31.23 C ATOM 562 C PRO A 32 6.694 -4.027 -2.597 1.00 60.01 C ATOM 563 O PRO A 32 6.758 -4.351 -1.412 1.00 33.01 O ATOM 564 CB PRO A 32 8.238 -5.557 -3.918 1.00 4.31 C ATOM 565 CG PRO A 32 9.400 -6.003 -3.046 1.00 32.45 C ATOM 566 CD PRO A 32 9.989 -4.768 -2.386 1.00 10.22 C ATOM 0 HA PRO A 32 7.684 -3.516 -4.366 1.00 31.23 H new ATOM 0 HB2 PRO A 32 7.372 -6.204 -3.776 1.00 4.31 H new ATOM 0 HB3 PRO A 32 8.502 -5.605 -4.975 1.00 4.31 H new ATOM 0 HG2 PRO A 32 9.061 -6.713 -2.292 1.00 32.45 H new ATOM 0 HG3 PRO A 32 10.154 -6.511 -3.646 1.00 32.45 H new ATOM 0 HD2 PRO A 32 10.005 -4.869 -1.301 1.00 10.22 H new ATOM 0 HD3 PRO A 32 11.017 -4.600 -2.706 1.00 10.22 H new ATOM 574 N VAL A 33 5.600 -3.574 -3.193 1.00 12.13 N ATOM 575 CA VAL A 33 4.355 -3.424 -2.459 1.00 24.23 C ATOM 576 C VAL A 33 3.183 -3.777 -3.377 1.00 4.32 C ATOM 577 O VAL A 33 3.316 -3.749 -4.599 1.00 1.31 O ATOM 578 CB VAL A 33 4.256 -2.013 -1.878 1.00 41.31 C ATOM 579 CG1 VAL A 33 5.568 -1.604 -1.205 1.00 5.21 C ATOM 580 CG2 VAL A 33 3.855 -1.003 -2.955 1.00 4.04 C ATOM 0 H VAL A 33 5.550 -3.306 -4.176 1.00 12.13 H new ATOM 0 HA VAL A 33 4.325 -4.111 -1.613 1.00 24.23 H new ATOM 0 HB VAL A 33 3.476 -2.019 -1.117 1.00 41.31 H new ATOM 0 HG11 VAL A 33 5.471 -0.597 -0.800 1.00 5.21 H new ATOM 0 HG12 VAL A 33 5.795 -2.299 -0.397 1.00 5.21 H new ATOM 0 HG13 VAL A 33 6.375 -1.624 -1.938 1.00 5.21 H new ATOM 0 HG21 VAL A 33 3.792 -0.008 -2.515 1.00 4.04 H new ATOM 0 HG22 VAL A 33 4.602 -1.002 -3.749 1.00 4.04 H new ATOM 0 HG23 VAL A 33 2.885 -1.279 -3.369 1.00 4.04 H new ATOM 590 N ILE A 34 2.060 -4.100 -2.751 1.00 53.34 N ATOM 591 CA ILE A 34 0.864 -4.457 -3.496 1.00 0.30 C ATOM 592 C ILE A 34 -0.335 -3.701 -2.921 1.00 63.12 C ATOM 593 O ILE A 34 -0.942 -4.143 -1.946 1.00 30.23 O ATOM 594 CB ILE A 34 0.680 -5.975 -3.519 1.00 40.20 C ATOM 595 CG1 ILE A 34 1.764 -6.646 -4.366 1.00 35.11 C ATOM 596 CG2 ILE A 34 -0.727 -6.351 -3.986 1.00 40.24 C ATOM 597 CD1 ILE A 34 1.300 -6.816 -5.815 1.00 42.24 C ATOM 0 H ILE A 34 1.953 -4.122 -1.737 1.00 53.34 H new ATOM 0 HA ILE A 34 0.961 -4.155 -4.539 1.00 0.30 H new ATOM 0 HB ILE A 34 0.790 -6.347 -2.501 1.00 40.20 H new ATOM 0 HG12 ILE A 34 2.674 -6.047 -4.340 1.00 35.11 H new ATOM 0 HG13 ILE A 34 2.011 -7.620 -3.943 1.00 35.11 H new ATOM 0 HG21 ILE A 34 -0.830 -7.436 -3.993 1.00 40.24 H new ATOM 0 HG22 ILE A 34 -1.463 -5.921 -3.307 1.00 40.24 H new ATOM 0 HG23 ILE A 34 -0.892 -5.964 -4.992 1.00 40.24 H new ATOM 0 HD11 ILE A 34 2.088 -7.295 -6.396 1.00 42.24 H new ATOM 0 HD12 ILE A 34 0.404 -7.436 -5.840 1.00 42.24 H new ATOM 0 HD13 ILE A 34 1.077 -5.839 -6.243 1.00 42.24 H new ATOM 609 N ILE A 35 -0.640 -2.575 -3.547 1.00 13.32 N ATOM 610 CA ILE A 35 -1.756 -1.753 -3.109 1.00 43.02 C ATOM 611 C ILE A 35 -3.040 -2.246 -3.780 1.00 62.52 C ATOM 612 O ILE A 35 -3.063 -2.488 -4.985 1.00 31.22 O ATOM 613 CB ILE A 35 -1.462 -0.273 -3.359 1.00 14.43 C ATOM 614 CG1 ILE A 35 -0.223 0.179 -2.582 1.00 62.53 C ATOM 615 CG2 ILE A 35 -2.685 0.590 -3.041 1.00 64.40 C ATOM 616 CD1 ILE A 35 0.613 1.159 -3.405 1.00 12.23 C ATOM 0 H ILE A 35 -0.134 -2.212 -4.355 1.00 13.32 H new ATOM 0 HA ILE A 35 -1.900 -1.848 -2.033 1.00 43.02 H new ATOM 0 HB ILE A 35 -1.243 -0.142 -4.419 1.00 14.43 H new ATOM 0 HG12 ILE A 35 -0.527 0.651 -1.648 1.00 62.53 H new ATOM 0 HG13 ILE A 35 0.382 -0.689 -2.319 1.00 62.53 H new ATOM 0 HG21 ILE A 35 -2.449 1.638 -3.227 1.00 64.40 H new ATOM 0 HG22 ILE A 35 -3.519 0.287 -3.675 1.00 64.40 H new ATOM 0 HG23 ILE A 35 -2.960 0.460 -1.994 1.00 64.40 H new ATOM 0 HD11 ILE A 35 1.487 1.464 -2.830 1.00 12.23 H new ATOM 0 HD12 ILE A 35 0.936 0.676 -4.327 1.00 12.23 H new ATOM 0 HD13 ILE A 35 0.013 2.036 -3.646 1.00 12.23 H new ATOM 628 N GLU A 36 -4.079 -2.380 -2.968 1.00 14.05 N ATOM 629 CA GLU A 36 -5.364 -2.840 -3.466 1.00 10.15 C ATOM 630 C GLU A 36 -6.491 -1.964 -2.918 1.00 32.02 C ATOM 631 O GLU A 36 -6.323 -1.295 -1.899 1.00 33.43 O ATOM 632 CB GLU A 36 -5.594 -4.311 -3.115 1.00 14.40 C ATOM 633 CG GLU A 36 -5.233 -5.219 -4.293 1.00 64.41 C ATOM 634 CD GLU A 36 -6.059 -4.864 -5.531 1.00 73.35 C ATOM 635 OE1 GLU A 36 -5.515 -4.322 -6.506 1.00 11.42 O ATOM 636 OE2 GLU A 36 -7.309 -5.173 -5.460 1.00 2.44 O ATOM 0 H GLU A 36 -4.057 -2.178 -1.968 1.00 14.05 H new ATOM 0 HA GLU A 36 -5.361 -2.756 -4.553 1.00 10.15 H new ATOM 0 HB2 GLU A 36 -4.993 -4.580 -2.247 1.00 14.40 H new ATOM 0 HB3 GLU A 36 -6.638 -4.464 -2.840 1.00 14.40 H new ATOM 0 HG2 GLU A 36 -4.171 -5.122 -4.520 1.00 64.41 H new ATOM 0 HG3 GLU A 36 -5.407 -6.260 -4.021 1.00 64.41 H new ATOM 644 N ARG A 37 -7.616 -1.993 -3.618 1.00 33.23 N ATOM 645 CA ARG A 37 -8.770 -1.210 -3.213 1.00 73.24 C ATOM 646 C ARG A 37 -9.368 -1.772 -1.922 1.00 64.52 C ATOM 647 O ARG A 37 -9.487 -2.986 -1.766 1.00 12.04 O ATOM 648 CB ARG A 37 -9.844 -1.207 -4.304 1.00 51.13 C ATOM 649 CG ARG A 37 -10.492 -2.586 -4.440 1.00 1.41 C ATOM 650 CD ARG A 37 -11.464 -2.622 -5.619 1.00 24.11 C ATOM 651 NE ARG A 37 -11.617 -4.010 -6.108 1.00 34.33 N ATOM 652 CZ ARG A 37 -10.725 -4.634 -6.906 1.00 70.24 C ATOM 653 NH1 ARG A 37 -9.607 -3.997 -7.313 1.00 72.20 N ATOM 654 NH2 ARG A 37 -10.964 -5.877 -7.282 1.00 44.03 N ATOM 0 H ARG A 37 -7.752 -2.547 -4.463 1.00 33.23 H new ATOM 0 HA ARG A 37 -8.433 -0.187 -3.046 1.00 73.24 H new ATOM 0 HB2 ARG A 37 -10.606 -0.465 -4.067 1.00 51.13 H new ATOM 0 HB3 ARG A 37 -9.400 -0.915 -5.256 1.00 51.13 H new ATOM 0 HG2 ARG A 37 -9.719 -3.342 -4.578 1.00 1.41 H new ATOM 0 HG3 ARG A 37 -11.021 -2.835 -3.520 1.00 1.41 H new ATOM 0 HD2 ARG A 37 -12.433 -2.226 -5.314 1.00 24.11 H new ATOM 0 HD3 ARG A 37 -11.097 -1.983 -6.423 1.00 24.11 H new ATOM 0 HE ARG A 37 -12.449 -4.528 -5.824 1.00 34.33 H new ATOM 0 HH11 ARG A 37 -9.431 -3.037 -7.018 1.00 72.20 H new ATOM 0 HH12 ARG A 37 -8.938 -4.476 -7.916 1.00 72.20 H new ATOM 0 HH21 ARG A 37 -11.812 -6.350 -6.970 1.00 44.03 H new ATOM 0 HH22 ARG A 37 -10.301 -6.364 -7.885 1.00 44.03 H new ATOM 667 N TYR A 38 -9.726 -0.861 -1.028 1.00 2.33 N ATOM 668 CA TYR A 38 -10.308 -1.250 0.245 1.00 20.32 C ATOM 669 C TYR A 38 -11.648 -1.962 0.042 1.00 54.11 C ATOM 670 O TYR A 38 -12.370 -1.671 -0.910 1.00 13.01 O ATOM 671 CB TYR A 38 -10.547 0.050 1.015 1.00 12.43 C ATOM 672 CG TYR A 38 -11.640 -0.050 2.080 1.00 11.11 C ATOM 673 CD1 TYR A 38 -12.964 0.130 1.729 1.00 42.23 C ATOM 674 CD2 TYR A 38 -11.304 -0.319 3.391 1.00 12.43 C ATOM 675 CE1 TYR A 38 -13.992 0.037 2.732 1.00 42.11 C ATOM 676 CE2 TYR A 38 -12.334 -0.413 4.393 1.00 53.35 C ATOM 677 CZ TYR A 38 -13.627 -0.230 4.014 1.00 23.24 C ATOM 678 OH TYR A 38 -14.599 -0.319 4.962 1.00 23.44 O ATOM 0 H TYR A 38 -9.624 0.145 -1.161 1.00 2.33 H new ATOM 0 HA TYR A 38 -9.646 -1.935 0.775 1.00 20.32 H new ATOM 0 HB2 TYR A 38 -9.615 0.354 1.492 1.00 12.43 H new ATOM 0 HB3 TYR A 38 -10.814 0.835 0.308 1.00 12.43 H new ATOM 0 HD1 TYR A 38 -13.227 0.340 0.703 1.00 42.23 H new ATOM 0 HD2 TYR A 38 -10.269 -0.459 3.666 1.00 12.43 H new ATOM 0 HE1 TYR A 38 -15.031 0.176 2.472 1.00 42.11 H new ATOM 0 HE2 TYR A 38 -12.085 -0.624 5.422 1.00 53.35 H new ATOM 0 HH TYR A 38 -14.191 -0.515 5.831 1.00 23.44 H new ATOM 688 N LYS A 39 -11.937 -2.881 0.950 1.00 73.55 N ATOM 689 CA LYS A 39 -13.176 -3.636 0.883 1.00 43.43 C ATOM 690 C LYS A 39 -14.361 -2.677 1.020 1.00 21.11 C ATOM 691 O LYS A 39 -14.750 -2.322 2.131 1.00 3.42 O ATOM 692 CB LYS A 39 -13.173 -4.764 1.917 1.00 73.41 C ATOM 693 CG LYS A 39 -13.251 -4.204 3.338 1.00 61.13 C ATOM 694 CD LYS A 39 -12.765 -5.234 4.361 1.00 10.22 C ATOM 695 CE LYS A 39 -11.239 -5.232 4.457 1.00 52.01 C ATOM 696 NZ LYS A 39 -10.776 -6.284 5.389 1.00 32.44 N ATOM 0 H LYS A 39 -11.334 -3.120 1.737 1.00 73.55 H new ATOM 0 HA LYS A 39 -13.273 -4.125 -0.086 1.00 43.43 H new ATOM 0 HB2 LYS A 39 -14.018 -5.429 1.737 1.00 73.41 H new ATOM 0 HB3 LYS A 39 -12.268 -5.361 1.807 1.00 73.41 H new ATOM 0 HG2 LYS A 39 -12.645 -3.301 3.410 1.00 61.13 H new ATOM 0 HG3 LYS A 39 -14.278 -3.918 3.564 1.00 61.13 H new ATOM 0 HD2 LYS A 39 -13.195 -5.013 5.338 1.00 10.22 H new ATOM 0 HD3 LYS A 39 -13.114 -6.227 4.077 1.00 10.22 H new ATOM 0 HE2 LYS A 39 -10.807 -5.397 3.470 1.00 52.01 H new ATOM 0 HE3 LYS A 39 -10.892 -4.257 4.799 1.00 52.01 H new ATOM 0 HZ1 LYS A 39 -9.737 -6.268 5.442 1.00 32.44 H new ATOM 0 HZ2 LYS A 39 -11.174 -6.110 6.334 1.00 32.44 H new ATOM 0 HZ3 LYS A 39 -11.091 -7.214 5.047 1.00 32.44 H new ATOM 709 N GLY A 40 -14.900 -2.286 -0.125 1.00 74.45 N ATOM 710 CA GLY A 40 -16.032 -1.377 -0.146 1.00 3.24 C ATOM 711 C GLY A 40 -15.590 0.040 -0.520 1.00 12.21 C ATOM 712 O GLY A 40 -16.257 1.014 -0.172 1.00 40.33 O ATOM 0 H GLY A 40 -14.573 -2.582 -1.045 1.00 74.45 H new ATOM 0 HA2 GLY A 40 -16.774 -1.731 -0.861 1.00 3.24 H new ATOM 0 HA3 GLY A 40 -16.512 -1.366 0.832 1.00 3.24 H new ATOM 716 N GLU A 41 -14.470 0.109 -1.224 1.00 33.32 N ATOM 717 CA GLU A 41 -13.932 1.390 -1.649 1.00 32.55 C ATOM 718 C GLU A 41 -14.588 1.833 -2.957 1.00 20.11 C ATOM 719 O GLU A 41 -14.435 1.179 -3.987 1.00 31.05 O ATOM 720 CB GLU A 41 -12.410 1.323 -1.794 1.00 62.14 C ATOM 721 CG GLU A 41 -11.754 2.610 -1.290 1.00 52.41 C ATOM 722 CD GLU A 41 -12.209 3.817 -2.113 1.00 41.41 C ATOM 723 OE1 GLU A 41 -12.390 4.912 -1.560 1.00 62.12 O ATOM 724 OE2 GLU A 41 -12.376 3.587 -3.371 1.00 34.32 O ATOM 0 H GLU A 41 -13.920 -0.701 -1.511 1.00 33.32 H new ATOM 0 HA GLU A 41 -14.159 2.131 -0.882 1.00 32.55 H new ATOM 0 HB2 GLU A 41 -12.025 0.471 -1.234 1.00 62.14 H new ATOM 0 HB3 GLU A 41 -12.147 1.162 -2.840 1.00 62.14 H new ATOM 0 HG2 GLU A 41 -12.007 2.765 -0.241 1.00 52.41 H new ATOM 0 HG3 GLU A 41 -10.670 2.515 -1.346 1.00 52.41 H new ATOM 732 N LYS A 42 -15.307 2.944 -2.875 1.00 64.40 N ATOM 733 CA LYS A 42 -15.988 3.483 -4.039 1.00 2.11 C ATOM 734 C LYS A 42 -15.428 4.871 -4.355 1.00 14.01 C ATOM 735 O LYS A 42 -15.242 5.220 -5.521 1.00 33.23 O ATOM 736 CB LYS A 42 -17.503 3.466 -3.830 1.00 13.31 C ATOM 737 CG LYS A 42 -17.929 4.526 -2.812 1.00 45.50 C ATOM 738 CD LYS A 42 -18.224 5.860 -3.501 1.00 43.25 C ATOM 739 CE LYS A 42 -19.282 6.653 -2.732 1.00 4.32 C ATOM 740 NZ LYS A 42 -19.419 8.015 -3.294 1.00 23.20 N ATOM 0 H LYS A 42 -15.432 3.485 -2.019 1.00 64.40 H new ATOM 0 HA LYS A 42 -15.802 2.857 -4.912 1.00 2.11 H new ATOM 0 HB2 LYS A 42 -18.007 3.646 -4.780 1.00 13.31 H new ATOM 0 HB3 LYS A 42 -17.815 2.480 -3.486 1.00 13.31 H new ATOM 0 HG2 LYS A 42 -18.815 4.186 -2.276 1.00 45.50 H new ATOM 0 HG3 LYS A 42 -17.141 4.662 -2.071 1.00 45.50 H new ATOM 0 HD2 LYS A 42 -17.308 6.446 -3.574 1.00 43.25 H new ATOM 0 HD3 LYS A 42 -18.569 5.679 -4.519 1.00 43.25 H new ATOM 0 HE2 LYS A 42 -20.240 6.135 -2.781 1.00 4.32 H new ATOM 0 HE3 LYS A 42 -19.006 6.714 -1.679 1.00 4.32 H new ATOM 0 HZ1 LYS A 42 -19.848 8.642 -2.584 1.00 23.20 H new ATOM 0 HZ2 LYS A 42 -18.480 8.379 -3.555 1.00 23.20 H new ATOM 0 HZ3 LYS A 42 -20.025 7.983 -4.138 1.00 23.20 H new ATOM 753 N GLN A 43 -15.173 5.627 -3.297 1.00 63.45 N ATOM 754 CA GLN A 43 -14.636 6.969 -3.447 1.00 43.21 C ATOM 755 C GLN A 43 -13.389 6.946 -4.332 1.00 65.15 C ATOM 756 O GLN A 43 -13.468 7.222 -5.529 1.00 23.23 O ATOM 757 CB GLN A 43 -14.331 7.593 -2.084 1.00 65.43 C ATOM 758 CG GLN A 43 -15.620 7.988 -1.360 1.00 61.32 C ATOM 759 CD GLN A 43 -16.192 9.287 -1.931 1.00 0.41 C ATOM 760 OE1 GLN A 43 -15.547 10.005 -2.677 1.00 34.35 O ATOM 761 NE2 GLN A 43 -17.437 9.547 -1.540 1.00 61.50 N ATOM 0 H GLN A 43 -15.328 5.335 -2.332 1.00 63.45 H new ATOM 0 HA GLN A 43 -15.390 7.589 -3.932 1.00 43.21 H new ATOM 0 HB2 GLN A 43 -13.769 6.886 -1.474 1.00 65.43 H new ATOM 0 HB3 GLN A 43 -13.700 8.472 -2.216 1.00 65.43 H new ATOM 0 HG2 GLN A 43 -16.355 7.189 -1.456 1.00 61.32 H new ATOM 0 HG3 GLN A 43 -15.421 8.111 -0.295 1.00 61.32 H new ATOM 0 HE21 GLN A 43 -17.920 8.903 -0.914 1.00 61.50 H new ATOM 0 HE22 GLN A 43 -17.909 10.390 -1.867 1.00 61.50 H new ATOM 770 N LEU A 44 -12.267 6.617 -3.710 1.00 70.13 N ATOM 771 CA LEU A 44 -11.004 6.555 -4.426 1.00 74.32 C ATOM 772 C LEU A 44 -11.150 5.620 -5.628 1.00 11.20 C ATOM 773 O LEU A 44 -11.783 4.570 -5.529 1.00 43.35 O ATOM 774 CB LEU A 44 -9.869 6.166 -3.478 1.00 23.41 C ATOM 775 CG LEU A 44 -9.246 7.308 -2.672 1.00 52.12 C ATOM 776 CD1 LEU A 44 -7.993 6.836 -1.931 1.00 50.33 C ATOM 777 CD2 LEU A 44 -8.963 8.517 -3.565 1.00 10.25 C ATOM 0 H LEU A 44 -12.206 6.390 -2.717 1.00 70.13 H new ATOM 0 HA LEU A 44 -10.739 7.537 -4.816 1.00 74.32 H new ATOM 0 HB2 LEU A 44 -10.246 5.419 -2.780 1.00 23.41 H new ATOM 0 HB3 LEU A 44 -9.082 5.689 -4.062 1.00 23.41 H new ATOM 0 HG LEU A 44 -9.965 7.626 -1.917 1.00 52.12 H new ATOM 0 HD11 LEU A 44 -7.570 7.667 -1.366 1.00 50.33 H new ATOM 0 HD12 LEU A 44 -8.257 6.029 -1.247 1.00 50.33 H new ATOM 0 HD13 LEU A 44 -7.259 6.476 -2.651 1.00 50.33 H new ATOM 0 HD21 LEU A 44 -8.521 9.315 -2.968 1.00 10.25 H new ATOM 0 HD22 LEU A 44 -8.271 8.230 -4.357 1.00 10.25 H new ATOM 0 HD23 LEU A 44 -9.895 8.869 -4.007 1.00 10.25 H new ATOM 789 N PRO A 45 -10.537 6.045 -6.765 1.00 31.11 N ATOM 790 CA PRO A 45 -10.592 5.258 -7.985 1.00 72.02 C ATOM 791 C PRO A 45 -9.664 4.044 -7.896 1.00 4.31 C ATOM 792 O PRO A 45 -8.807 3.977 -7.016 1.00 31.03 O ATOM 793 CB PRO A 45 -10.205 6.222 -9.094 1.00 14.10 C ATOM 794 CG PRO A 45 -9.501 7.382 -8.410 1.00 24.31 C ATOM 795 CD PRO A 45 -9.777 7.282 -6.919 1.00 12.34 C ATOM 0 HA PRO A 45 -11.580 4.837 -8.170 1.00 72.02 H new ATOM 0 HB2 PRO A 45 -9.549 5.740 -9.819 1.00 14.10 H new ATOM 0 HB3 PRO A 45 -11.085 6.565 -9.638 1.00 14.10 H new ATOM 0 HG2 PRO A 45 -8.429 7.345 -8.603 1.00 24.31 H new ATOM 0 HG3 PRO A 45 -9.863 8.333 -8.802 1.00 24.31 H new ATOM 0 HD2 PRO A 45 -8.850 7.251 -6.346 1.00 12.34 H new ATOM 0 HD3 PRO A 45 -10.344 8.142 -6.563 1.00 12.34 H new ATOM 803 N VAL A 46 -9.866 3.116 -8.820 1.00 55.41 N ATOM 804 CA VAL A 46 -9.057 1.909 -8.858 1.00 62.40 C ATOM 805 C VAL A 46 -7.643 2.262 -9.325 1.00 24.11 C ATOM 806 O VAL A 46 -7.450 2.681 -10.465 1.00 23.43 O ATOM 807 CB VAL A 46 -9.733 0.855 -9.737 1.00 71.25 C ATOM 808 CG1 VAL A 46 -8.940 -0.455 -9.729 1.00 21.34 C ATOM 809 CG2 VAL A 46 -11.180 0.623 -9.303 1.00 2.32 C ATOM 0 H VAL A 46 -10.578 3.175 -9.548 1.00 55.41 H new ATOM 0 HA VAL A 46 -8.970 1.475 -7.862 1.00 62.40 H new ATOM 0 HB VAL A 46 -9.748 1.232 -10.760 1.00 71.25 H new ATOM 0 HG11 VAL A 46 -9.441 -1.188 -10.361 1.00 21.34 H new ATOM 0 HG12 VAL A 46 -7.935 -0.274 -10.110 1.00 21.34 H new ATOM 0 HG13 VAL A 46 -8.878 -0.837 -8.710 1.00 21.34 H new ATOM 0 HG21 VAL A 46 -11.636 -0.131 -9.945 1.00 2.32 H new ATOM 0 HG22 VAL A 46 -11.199 0.279 -8.269 1.00 2.32 H new ATOM 0 HG23 VAL A 46 -11.738 1.555 -9.385 1.00 2.32 H new ATOM 819 N LEU A 47 -6.693 2.081 -8.421 1.00 70.21 N ATOM 820 CA LEU A 47 -5.304 2.374 -8.726 1.00 52.54 C ATOM 821 C LEU A 47 -4.992 1.919 -10.153 1.00 0.41 C ATOM 822 O LEU A 47 -5.533 0.919 -10.622 1.00 44.05 O ATOM 823 CB LEU A 47 -4.382 1.760 -7.670 1.00 21.34 C ATOM 824 CG LEU A 47 -3.266 2.666 -7.145 1.00 14.51 C ATOM 825 CD1 LEU A 47 -2.506 3.324 -8.298 1.00 51.34 C ATOM 826 CD2 LEU A 47 -3.816 3.698 -6.158 1.00 2.31 C ATOM 0 H LEU A 47 -6.858 1.735 -7.476 1.00 70.21 H new ATOM 0 HA LEU A 47 -5.125 3.448 -8.687 1.00 52.54 H new ATOM 0 HB2 LEU A 47 -4.992 1.441 -6.825 1.00 21.34 H new ATOM 0 HB3 LEU A 47 -3.927 0.863 -8.091 1.00 21.34 H new ATOM 0 HG LEU A 47 -2.552 2.048 -6.600 1.00 14.51 H new ATOM 0 HD11 LEU A 47 -1.719 3.962 -7.897 1.00 51.34 H new ATOM 0 HD12 LEU A 47 -2.063 2.553 -8.928 1.00 51.34 H new ATOM 0 HD13 LEU A 47 -3.195 3.926 -8.891 1.00 51.34 H new ATOM 0 HD21 LEU A 47 -3.002 4.329 -5.800 1.00 2.31 H new ATOM 0 HD22 LEU A 47 -4.562 4.316 -6.656 1.00 2.31 H new ATOM 0 HD23 LEU A 47 -4.276 3.185 -5.313 1.00 2.31 H new ATOM 838 N ASP A 48 -4.121 2.676 -10.804 1.00 34.23 N ATOM 839 CA ASP A 48 -3.730 2.363 -12.168 1.00 65.12 C ATOM 840 C ASP A 48 -3.153 0.946 -12.218 1.00 61.25 C ATOM 841 O ASP A 48 -3.472 0.174 -13.119 1.00 1.55 O ATOM 842 CB ASP A 48 -2.655 3.329 -12.669 1.00 32.20 C ATOM 843 CG ASP A 48 -3.027 4.810 -12.583 1.00 54.14 C ATOM 844 OD1 ASP A 48 -3.806 5.224 -11.713 1.00 11.32 O ATOM 845 OD2 ASP A 48 -2.471 5.564 -13.470 1.00 33.14 O ATOM 0 H ASP A 48 -3.675 3.505 -10.412 1.00 34.23 H new ATOM 0 HA ASP A 48 -4.614 2.449 -12.799 1.00 65.12 H new ATOM 0 HB2 ASP A 48 -1.744 3.165 -12.094 1.00 32.20 H new ATOM 0 HB3 ASP A 48 -2.425 3.087 -13.707 1.00 32.20 H new ATOM 851 N LYS A 49 -2.314 0.649 -11.237 1.00 34.30 N ATOM 852 CA LYS A 49 -1.689 -0.659 -11.156 1.00 13.11 C ATOM 853 C LYS A 49 -1.752 -1.163 -9.713 1.00 55.44 C ATOM 854 O LYS A 49 -2.231 -0.457 -8.826 1.00 64.03 O ATOM 855 CB LYS A 49 -0.271 -0.613 -11.730 1.00 53.23 C ATOM 856 CG LYS A 49 -0.274 -0.047 -13.152 1.00 52.12 C ATOM 857 CD LYS A 49 0.528 1.254 -13.224 1.00 15.23 C ATOM 858 CE LYS A 49 1.866 1.035 -13.932 1.00 51.44 C ATOM 859 NZ LYS A 49 1.670 0.945 -15.396 1.00 4.25 N ATOM 0 H LYS A 49 -2.052 1.293 -10.491 1.00 34.30 H new ATOM 0 HA LYS A 49 -2.233 -1.378 -11.769 1.00 13.11 H new ATOM 0 HB2 LYS A 49 0.364 0.001 -11.091 1.00 53.23 H new ATOM 0 HB3 LYS A 49 0.156 -1.616 -11.735 1.00 53.23 H new ATOM 0 HG2 LYS A 49 0.150 -0.779 -13.840 1.00 52.12 H new ATOM 0 HG3 LYS A 49 -1.300 0.135 -13.473 1.00 52.12 H new ATOM 0 HD2 LYS A 49 -0.048 2.012 -13.755 1.00 15.23 H new ATOM 0 HD3 LYS A 49 0.703 1.634 -12.217 1.00 15.23 H new ATOM 0 HE2 LYS A 49 2.545 1.855 -13.700 1.00 51.44 H new ATOM 0 HE3 LYS A 49 2.333 0.121 -13.565 1.00 51.44 H new ATOM 0 HZ1 LYS A 49 2.588 0.796 -15.861 1.00 4.25 H new ATOM 0 HZ2 LYS A 49 1.039 0.148 -15.613 1.00 4.25 H new ATOM 0 HZ3 LYS A 49 1.245 1.828 -15.744 1.00 4.25 H new ATOM 872 N THR A 50 -1.262 -2.379 -9.521 1.00 62.40 N ATOM 873 CA THR A 50 -1.257 -2.985 -8.201 1.00 12.42 C ATOM 874 C THR A 50 0.178 -3.162 -7.701 1.00 13.32 C ATOM 875 O THR A 50 0.407 -3.326 -6.505 1.00 13.53 O ATOM 876 CB THR A 50 -2.041 -4.296 -8.279 1.00 64.23 C ATOM 877 OG1 THR A 50 -3.298 -3.918 -8.831 1.00 33.22 O ATOM 878 CG2 THR A 50 -2.392 -4.852 -6.897 1.00 4.14 C ATOM 0 H THR A 50 -0.865 -2.961 -10.259 1.00 62.40 H new ATOM 0 HA THR A 50 -1.745 -2.342 -7.469 1.00 12.42 H new ATOM 0 HB THR A 50 -1.458 -5.034 -8.830 1.00 64.23 H new ATOM 0 HG1 THR A 50 -3.996 -4.013 -8.150 1.00 33.22 H new ATOM 0 HG21 THR A 50 -2.948 -5.783 -7.010 1.00 4.14 H new ATOM 0 HG22 THR A 50 -1.476 -5.042 -6.338 1.00 4.14 H new ATOM 0 HG23 THR A 50 -3.003 -4.128 -6.358 1.00 4.14 H new ATOM 886 N LYS A 51 1.108 -3.124 -8.644 1.00 63.11 N ATOM 887 CA LYS A 51 2.515 -3.279 -8.316 1.00 2.24 C ATOM 888 C LYS A 51 3.211 -1.920 -8.419 1.00 2.53 C ATOM 889 O LYS A 51 3.022 -1.195 -9.394 1.00 22.21 O ATOM 890 CB LYS A 51 3.152 -4.364 -9.186 1.00 62.34 C ATOM 891 CG LYS A 51 2.379 -5.680 -9.074 1.00 12.21 C ATOM 892 CD LYS A 51 3.318 -6.880 -9.213 1.00 14.34 C ATOM 893 CE LYS A 51 3.312 -7.418 -10.646 1.00 70.11 C ATOM 894 NZ LYS A 51 2.004 -8.035 -10.963 1.00 74.50 N ATOM 0 H LYS A 51 0.914 -2.988 -9.636 1.00 63.11 H new ATOM 0 HA LYS A 51 2.631 -3.620 -7.287 1.00 2.24 H new ATOM 0 HB2 LYS A 51 3.172 -4.037 -10.226 1.00 62.34 H new ATOM 0 HB3 LYS A 51 4.187 -4.519 -8.881 1.00 62.34 H new ATOM 0 HG2 LYS A 51 1.866 -5.724 -8.113 1.00 12.21 H new ATOM 0 HG3 LYS A 51 1.612 -5.722 -9.847 1.00 12.21 H new ATOM 0 HD2 LYS A 51 4.331 -6.588 -8.935 1.00 14.34 H new ATOM 0 HD3 LYS A 51 3.012 -7.667 -8.524 1.00 14.34 H new ATOM 0 HE2 LYS A 51 3.518 -6.608 -11.346 1.00 70.11 H new ATOM 0 HE3 LYS A 51 4.107 -8.154 -10.768 1.00 70.11 H new ATOM 0 HZ1 LYS A 51 2.129 -8.752 -11.706 1.00 74.50 H new ATOM 0 HZ2 LYS A 51 1.616 -8.485 -10.109 1.00 74.50 H new ATOM 0 HZ3 LYS A 51 1.346 -7.302 -11.297 1.00 74.50 H new ATOM 907 N PHE A 52 4.001 -1.617 -7.399 1.00 55.52 N ATOM 908 CA PHE A 52 4.727 -0.359 -7.364 1.00 12.53 C ATOM 909 C PHE A 52 6.141 -0.557 -6.814 1.00 23.41 C ATOM 910 O PHE A 52 6.337 -1.288 -5.845 1.00 20.35 O ATOM 911 CB PHE A 52 3.955 0.575 -6.429 1.00 64.54 C ATOM 912 CG PHE A 52 2.499 0.803 -6.840 1.00 42.21 C ATOM 913 CD1 PHE A 52 1.608 -0.224 -6.781 1.00 50.44 C ATOM 914 CD2 PHE A 52 2.095 2.030 -7.264 1.00 55.41 C ATOM 915 CE1 PHE A 52 0.256 -0.014 -7.162 1.00 5.33 C ATOM 916 CE2 PHE A 52 0.743 2.241 -7.645 1.00 50.35 C ATOM 917 CZ PHE A 52 -0.148 1.213 -7.586 1.00 13.42 C ATOM 0 H PHE A 52 4.154 -2.221 -6.591 1.00 55.52 H new ATOM 0 HA PHE A 52 4.812 0.051 -8.371 1.00 12.53 H new ATOM 0 HB2 PHE A 52 3.977 0.162 -5.421 1.00 64.54 H new ATOM 0 HB3 PHE A 52 4.466 1.537 -6.390 1.00 64.54 H new ATOM 0 HD1 PHE A 52 1.929 -1.199 -6.444 1.00 50.44 H new ATOM 0 HD2 PHE A 52 2.802 2.845 -7.311 1.00 55.41 H new ATOM 0 HE1 PHE A 52 -0.451 -0.829 -7.115 1.00 5.33 H new ATOM 0 HE2 PHE A 52 0.422 3.216 -7.981 1.00 50.35 H new ATOM 0 HZ PHE A 52 -1.176 1.372 -7.876 1.00 13.42 H new ATOM 927 N LEU A 53 7.089 0.108 -7.457 1.00 0.05 N ATOM 928 CA LEU A 53 8.479 0.015 -7.044 1.00 15.10 C ATOM 929 C LEU A 53 8.887 1.313 -6.345 1.00 53.33 C ATOM 930 O LEU A 53 9.129 2.326 -7.000 1.00 23.21 O ATOM 931 CB LEU A 53 9.369 -0.348 -8.236 1.00 22.22 C ATOM 932 CG LEU A 53 8.999 -1.631 -8.982 1.00 23.31 C ATOM 933 CD1 LEU A 53 10.119 -2.054 -9.935 1.00 34.22 C ATOM 934 CD2 LEU A 53 8.627 -2.748 -8.004 1.00 70.04 C ATOM 0 H LEU A 53 6.922 0.713 -8.261 1.00 0.05 H new ATOM 0 HA LEU A 53 8.609 -0.791 -6.321 1.00 15.10 H new ATOM 0 HB2 LEU A 53 9.349 0.480 -8.945 1.00 22.22 H new ATOM 0 HB3 LEU A 53 10.396 -0.440 -7.883 1.00 22.22 H new ATOM 0 HG LEU A 53 8.117 -1.429 -9.590 1.00 23.31 H new ATOM 0 HD11 LEU A 53 9.830 -2.969 -10.453 1.00 34.22 H new ATOM 0 HD12 LEU A 53 10.293 -1.264 -10.665 1.00 34.22 H new ATOM 0 HD13 LEU A 53 11.032 -2.231 -9.367 1.00 34.22 H new ATOM 0 HD21 LEU A 53 8.368 -3.648 -8.561 1.00 70.04 H new ATOM 0 HD22 LEU A 53 9.474 -2.957 -7.351 1.00 70.04 H new ATOM 0 HD23 LEU A 53 7.773 -2.436 -7.403 1.00 70.04 H new ATOM 946 N VAL A 54 8.953 1.241 -5.024 1.00 12.25 N ATOM 947 CA VAL A 54 9.328 2.397 -4.228 1.00 54.11 C ATOM 948 C VAL A 54 10.827 2.338 -3.926 1.00 53.14 C ATOM 949 O VAL A 54 11.380 1.260 -3.717 1.00 2.34 O ATOM 950 CB VAL A 54 8.466 2.466 -2.966 1.00 50.23 C ATOM 951 CG1 VAL A 54 8.392 1.102 -2.278 1.00 52.41 C ATOM 952 CG2 VAL A 54 8.985 3.538 -2.005 1.00 33.12 C ATOM 0 H VAL A 54 8.753 0.399 -4.484 1.00 12.25 H new ATOM 0 HA VAL A 54 9.144 3.318 -4.781 1.00 54.11 H new ATOM 0 HB VAL A 54 7.456 2.746 -3.265 1.00 50.23 H new ATOM 0 HG11 VAL A 54 7.773 1.179 -1.384 1.00 52.41 H new ATOM 0 HG12 VAL A 54 7.954 0.373 -2.961 1.00 52.41 H new ATOM 0 HG13 VAL A 54 9.395 0.781 -1.999 1.00 52.41 H new ATOM 0 HG21 VAL A 54 8.354 3.566 -1.116 1.00 33.12 H new ATOM 0 HG22 VAL A 54 10.009 3.302 -1.716 1.00 33.12 H new ATOM 0 HG23 VAL A 54 8.962 4.510 -2.497 1.00 33.12 H new ATOM 962 N PRO A 55 11.457 3.543 -3.912 1.00 45.33 N ATOM 963 CA PRO A 55 12.882 3.640 -3.639 1.00 0.21 C ATOM 964 C PRO A 55 13.169 3.432 -2.151 1.00 50.22 C ATOM 965 O PRO A 55 12.539 4.058 -1.299 1.00 54.10 O ATOM 966 CB PRO A 55 13.285 5.018 -4.135 1.00 72.21 C ATOM 967 CG PRO A 55 11.996 5.818 -4.241 1.00 64.33 C ATOM 968 CD PRO A 55 10.834 4.841 -4.155 1.00 22.13 C ATOM 0 HA PRO A 55 13.461 2.866 -4.143 1.00 0.21 H new ATOM 0 HB2 PRO A 55 13.983 5.492 -3.445 1.00 72.21 H new ATOM 0 HB3 PRO A 55 13.785 4.954 -5.101 1.00 72.21 H new ATOM 0 HG2 PRO A 55 11.936 6.554 -3.439 1.00 64.33 H new ATOM 0 HG3 PRO A 55 11.964 6.368 -5.182 1.00 64.33 H new ATOM 0 HD2 PRO A 55 10.150 5.109 -3.349 1.00 22.13 H new ATOM 0 HD3 PRO A 55 10.253 4.835 -5.077 1.00 22.13 H new ATOM 976 N ASP A 56 14.122 2.552 -1.882 1.00 15.23 N ATOM 977 CA ASP A 56 14.501 2.254 -0.511 1.00 24.22 C ATOM 978 C ASP A 56 15.424 3.359 0.009 1.00 33.22 C ATOM 979 O ASP A 56 16.516 3.079 0.502 1.00 24.04 O ATOM 980 CB ASP A 56 15.258 0.926 -0.424 1.00 14.44 C ATOM 981 CG ASP A 56 16.681 0.956 -0.984 1.00 63.42 C ATOM 982 OD1 ASP A 56 17.491 0.054 -0.718 1.00 73.21 O ATOM 983 OD2 ASP A 56 16.952 1.971 -1.732 1.00 53.21 O ATOM 0 H ASP A 56 14.643 2.035 -2.590 1.00 15.23 H new ATOM 0 HA ASP A 56 13.590 2.189 0.084 1.00 24.22 H new ATOM 0 HB2 ASP A 56 15.301 0.617 0.620 1.00 14.44 H new ATOM 0 HB3 ASP A 56 14.689 0.165 -0.958 1.00 14.44 H new ATOM 989 N HIS A 57 14.951 4.589 -0.117 1.00 42.54 N ATOM 990 CA HIS A 57 15.719 5.737 0.334 1.00 33.12 C ATOM 991 C HIS A 57 14.770 6.889 0.675 1.00 34.15 C ATOM 992 O HIS A 57 15.175 8.050 0.682 1.00 74.42 O ATOM 993 CB HIS A 57 16.775 6.126 -0.704 1.00 42.14 C ATOM 994 CG HIS A 57 16.279 7.096 -1.750 1.00 61.13 C ATOM 995 ND1 HIS A 57 14.961 7.139 -2.168 1.00 2.30 N ATOM 996 CD2 HIS A 57 16.938 8.057 -2.457 1.00 44.01 C ATOM 997 CE1 HIS A 57 14.843 8.085 -3.086 1.00 52.24 C ATOM 998 NE2 HIS A 57 16.071 8.653 -3.265 1.00 2.34 N ATOM 0 H HIS A 57 14.044 4.817 -0.525 1.00 42.54 H new ATOM 0 HA HIS A 57 16.263 5.480 1.243 1.00 33.12 H new ATOM 0 HB2 HIS A 57 17.630 6.567 -0.191 1.00 42.14 H new ATOM 0 HB3 HIS A 57 17.132 5.223 -1.200 1.00 42.14 H new ATOM 0 HD2 HIS A 57 17.989 8.293 -2.374 1.00 44.01 H new ATOM 0 HE1 HIS A 57 13.935 8.359 -3.602 1.00 52.24 H new ATOM 0 HE2 HIS A 57 16.287 9.411 -3.913 1.00 2.34 H new ATOM 1006 N VAL A 58 13.526 6.525 0.950 1.00 51.30 N ATOM 1007 CA VAL A 58 12.517 7.513 1.290 1.00 21.42 C ATOM 1008 C VAL A 58 11.679 6.997 2.462 1.00 52.34 C ATOM 1009 O VAL A 58 12.035 6.003 3.093 1.00 3.12 O ATOM 1010 CB VAL A 58 11.676 7.849 0.057 1.00 42.54 C ATOM 1011 CG1 VAL A 58 12.534 8.494 -1.033 1.00 63.40 C ATOM 1012 CG2 VAL A 58 10.959 6.606 -0.473 1.00 52.14 C ATOM 0 H VAL A 58 13.194 5.560 0.944 1.00 51.30 H new ATOM 0 HA VAL A 58 12.987 8.443 1.610 1.00 21.42 H new ATOM 0 HB VAL A 58 10.917 8.571 0.356 1.00 42.54 H new ATOM 0 HG11 VAL A 58 11.912 8.723 -1.898 1.00 63.40 H new ATOM 0 HG12 VAL A 58 12.977 9.414 -0.651 1.00 63.40 H new ATOM 0 HG13 VAL A 58 13.326 7.806 -1.328 1.00 63.40 H new ATOM 0 HG21 VAL A 58 10.368 6.873 -1.349 1.00 52.14 H new ATOM 0 HG22 VAL A 58 11.695 5.851 -0.748 1.00 52.14 H new ATOM 0 HG23 VAL A 58 10.302 6.208 0.300 1.00 52.14 H new ATOM 1022 N ASN A 59 10.583 7.695 2.717 1.00 3.10 N ATOM 1023 CA ASN A 59 9.691 7.319 3.802 1.00 53.34 C ATOM 1024 C ASN A 59 8.392 6.760 3.218 1.00 32.55 C ATOM 1025 O ASN A 59 8.083 6.990 2.051 1.00 53.32 O ATOM 1026 CB ASN A 59 9.338 8.530 4.668 1.00 31.55 C ATOM 1027 CG ASN A 59 10.207 9.736 4.306 1.00 54.00 C ATOM 1028 OD1 ASN A 59 11.276 9.951 4.853 1.00 22.23 O ATOM 1029 ND2 ASN A 59 9.689 10.508 3.355 1.00 14.31 N ATOM 0 H ASN A 59 10.291 8.519 2.191 1.00 3.10 H new ATOM 0 HA ASN A 59 10.199 6.573 4.414 1.00 53.34 H new ATOM 0 HB2 ASN A 59 8.286 8.782 4.535 1.00 31.55 H new ATOM 0 HB3 ASN A 59 9.475 8.281 5.720 1.00 31.55 H new ATOM 0 HD21 ASN A 59 10.192 11.338 3.042 1.00 14.31 H new ATOM 0 HD22 ASN A 59 8.789 10.270 2.939 1.00 14.31 H new ATOM 1036 N MET A 60 7.667 6.036 4.059 1.00 53.42 N ATOM 1037 CA MET A 60 6.409 5.443 3.641 1.00 63.50 C ATOM 1038 C MET A 60 5.433 6.513 3.149 1.00 72.03 C ATOM 1039 O MET A 60 4.595 6.248 2.289 1.00 33.53 O ATOM 1040 CB MET A 60 5.786 4.687 4.817 1.00 54.13 C ATOM 1041 CG MET A 60 5.183 5.656 5.835 1.00 71.53 C ATOM 1042 SD MET A 60 3.532 6.117 5.336 1.00 50.24 S ATOM 1043 CE MET A 60 2.850 4.502 4.996 1.00 24.12 C ATOM 0 H MET A 60 7.927 5.847 5.027 1.00 53.42 H new ATOM 0 HA MET A 60 6.609 4.756 2.819 1.00 63.50 H new ATOM 0 HB2 MET A 60 5.013 4.011 4.451 1.00 54.13 H new ATOM 0 HB3 MET A 60 6.544 4.071 5.301 1.00 54.13 H new ATOM 0 HG2 MET A 60 5.157 5.191 6.821 1.00 71.53 H new ATOM 0 HG3 MET A 60 5.808 6.545 5.918 1.00 71.53 H new ATOM 0 HE1 MET A 60 1.766 4.534 5.106 1.00 24.12 H new ATOM 0 HE2 MET A 60 3.103 4.207 3.978 1.00 24.12 H new ATOM 0 HE3 MET A 60 3.264 3.777 5.697 1.00 24.12 H new ATOM 1053 N SER A 61 5.575 7.703 3.716 1.00 31.15 N ATOM 1054 CA SER A 61 4.718 8.816 3.345 1.00 60.52 C ATOM 1055 C SER A 61 4.987 9.224 1.895 1.00 5.42 C ATOM 1056 O SER A 61 4.055 9.491 1.139 1.00 42.35 O ATOM 1057 CB SER A 61 4.928 10.009 4.280 1.00 24.14 C ATOM 1058 OG SER A 61 4.693 11.251 3.622 1.00 33.42 O ATOM 0 H SER A 61 6.271 7.920 4.429 1.00 31.15 H new ATOM 0 HA SER A 61 3.681 8.494 3.438 1.00 60.52 H new ATOM 0 HB2 SER A 61 4.260 9.920 5.136 1.00 24.14 H new ATOM 0 HB3 SER A 61 5.947 9.991 4.667 1.00 24.14 H new ATOM 0 HG SER A 61 4.836 11.987 4.253 1.00 33.42 H new ATOM 1064 N GLU A 62 6.265 9.259 1.552 1.00 43.34 N ATOM 1065 CA GLU A 62 6.669 9.630 0.206 1.00 62.30 C ATOM 1066 C GLU A 62 5.935 8.770 -0.825 1.00 2.22 C ATOM 1067 O GLU A 62 5.636 9.233 -1.925 1.00 1.22 O ATOM 1068 CB GLU A 62 8.185 9.513 0.036 1.00 23.32 C ATOM 1069 CG GLU A 62 8.848 10.891 0.063 1.00 33.21 C ATOM 1070 CD GLU A 62 10.307 10.807 -0.390 1.00 21.13 C ATOM 1071 OE1 GLU A 62 10.582 10.808 -1.599 1.00 65.32 O ATOM 1072 OE2 GLU A 62 11.172 10.741 0.565 1.00 22.24 O ATOM 0 H GLU A 62 7.035 9.037 2.182 1.00 43.34 H new ATOM 0 HA GLU A 62 6.397 10.673 0.041 1.00 62.30 H new ATOM 0 HB2 GLU A 62 8.597 8.892 0.831 1.00 23.32 H new ATOM 0 HB3 GLU A 62 8.411 9.015 -0.907 1.00 23.32 H new ATOM 0 HG2 GLU A 62 8.301 11.574 -0.586 1.00 33.21 H new ATOM 0 HG3 GLU A 62 8.800 11.302 1.071 1.00 33.21 H new ATOM 1080 N LEU A 63 5.665 7.534 -0.432 1.00 75.35 N ATOM 1081 CA LEU A 63 4.970 6.605 -1.308 1.00 71.31 C ATOM 1082 C LEU A 63 3.551 7.116 -1.564 1.00 34.30 C ATOM 1083 O LEU A 63 2.978 6.864 -2.622 1.00 74.31 O ATOM 1084 CB LEU A 63 5.019 5.189 -0.734 1.00 53.52 C ATOM 1085 CG LEU A 63 3.795 4.312 -1.005 1.00 3.21 C ATOM 1086 CD1 LEU A 63 3.658 4.007 -2.498 1.00 21.14 C ATOM 1087 CD2 LEU A 63 3.835 3.037 -0.160 1.00 23.34 C ATOM 0 H LEU A 63 5.915 7.154 0.481 1.00 75.35 H new ATOM 0 HA LEU A 63 5.468 6.549 -2.276 1.00 71.31 H new ATOM 0 HB2 LEU A 63 5.898 4.686 -1.136 1.00 53.52 H new ATOM 0 HB3 LEU A 63 5.158 5.260 0.345 1.00 53.52 H new ATOM 0 HG LEU A 63 2.905 4.867 -0.707 1.00 3.21 H new ATOM 0 HD11 LEU A 63 2.780 3.382 -2.663 1.00 21.14 H new ATOM 0 HD12 LEU A 63 3.549 4.940 -3.051 1.00 21.14 H new ATOM 0 HD13 LEU A 63 4.548 3.481 -2.845 1.00 21.14 H new ATOM 0 HD21 LEU A 63 2.953 2.432 -0.372 1.00 23.34 H new ATOM 0 HD22 LEU A 63 4.733 2.468 -0.402 1.00 23.34 H new ATOM 0 HD23 LEU A 63 3.848 3.301 0.897 1.00 23.34 H new ATOM 1099 N ILE A 64 3.025 7.827 -0.577 1.00 23.04 N ATOM 1100 CA ILE A 64 1.684 8.376 -0.681 1.00 61.52 C ATOM 1101 C ILE A 64 1.701 9.574 -1.633 1.00 62.30 C ATOM 1102 O ILE A 64 0.873 9.664 -2.538 1.00 14.00 O ATOM 1103 CB ILE A 64 1.128 8.701 0.706 1.00 21.21 C ATOM 1104 CG1 ILE A 64 1.033 7.439 1.568 1.00 50.20 C ATOM 1105 CG2 ILE A 64 -0.215 9.426 0.603 1.00 30.13 C ATOM 1106 CD1 ILE A 64 1.445 7.730 3.012 1.00 54.44 C ATOM 0 H ILE A 64 3.504 8.035 0.299 1.00 23.04 H new ATOM 0 HA ILE A 64 1.003 7.639 -1.106 1.00 61.52 H new ATOM 0 HB ILE A 64 1.823 9.379 1.202 1.00 21.21 H new ATOM 0 HG12 ILE A 64 0.013 7.056 1.547 1.00 50.20 H new ATOM 0 HG13 ILE A 64 1.674 6.661 1.153 1.00 50.20 H new ATOM 0 HG21 ILE A 64 -0.588 9.645 1.604 1.00 30.13 H new ATOM 0 HG22 ILE A 64 -0.084 10.358 0.052 1.00 30.13 H new ATOM 0 HG23 ILE A 64 -0.931 8.793 0.080 1.00 30.13 H new ATOM 0 HD11 ILE A 64 1.369 6.817 3.603 1.00 54.44 H new ATOM 0 HD12 ILE A 64 2.474 8.090 3.031 1.00 54.44 H new ATOM 0 HD13 ILE A 64 0.787 8.490 3.432 1.00 54.44 H new ATOM 1118 N LYS A 65 2.654 10.464 -1.395 1.00 65.21 N ATOM 1119 CA LYS A 65 2.789 11.653 -2.219 1.00 4.50 C ATOM 1120 C LYS A 65 2.805 11.247 -3.695 1.00 41.42 C ATOM 1121 O LYS A 65 2.444 12.038 -4.564 1.00 64.31 O ATOM 1122 CB LYS A 65 4.014 12.464 -1.793 1.00 50.41 C ATOM 1123 CG LYS A 65 3.799 13.098 -0.417 1.00 31.50 C ATOM 1124 CD LYS A 65 4.950 14.042 -0.063 1.00 14.42 C ATOM 1125 CE LYS A 65 5.963 13.352 0.853 1.00 43.24 C ATOM 1126 NZ LYS A 65 6.586 14.333 1.769 1.00 21.21 N ATOM 0 H LYS A 65 3.339 10.385 -0.644 1.00 65.21 H new ATOM 0 HA LYS A 65 1.933 12.313 -2.078 1.00 4.50 H new ATOM 0 HB2 LYS A 65 4.891 11.818 -1.767 1.00 50.41 H new ATOM 0 HB3 LYS A 65 4.213 13.243 -2.529 1.00 50.41 H new ATOM 0 HG2 LYS A 65 2.858 13.647 -0.409 1.00 31.50 H new ATOM 0 HG3 LYS A 65 3.719 12.317 0.339 1.00 31.50 H new ATOM 0 HD2 LYS A 65 5.446 14.374 -0.975 1.00 14.42 H new ATOM 0 HD3 LYS A 65 4.557 14.932 0.428 1.00 14.42 H new ATOM 0 HE2 LYS A 65 5.468 12.571 1.430 1.00 43.24 H new ATOM 0 HE3 LYS A 65 6.733 12.866 0.253 1.00 43.24 H new ATOM 0 HZ1 LYS A 65 7.271 13.848 2.383 1.00 21.21 H new ATOM 0 HZ2 LYS A 65 7.076 15.064 1.214 1.00 21.21 H new ATOM 0 HZ3 LYS A 65 5.850 14.778 2.354 1.00 21.21 H new ATOM 1139 N ILE A 66 3.225 10.012 -3.931 1.00 54.04 N ATOM 1140 CA ILE A 66 3.292 9.491 -5.286 1.00 32.11 C ATOM 1141 C ILE A 66 1.961 8.824 -5.637 1.00 63.23 C ATOM 1142 O ILE A 66 1.331 9.174 -6.634 1.00 3.21 O ATOM 1143 CB ILE A 66 4.503 8.570 -5.446 1.00 32.41 C ATOM 1144 CG1 ILE A 66 5.806 9.324 -5.172 1.00 34.42 C ATOM 1145 CG2 ILE A 66 4.505 7.902 -6.823 1.00 33.32 C ATOM 1146 CD1 ILE A 66 7.021 8.431 -5.428 1.00 42.45 C ATOM 0 H ILE A 66 3.522 9.358 -3.207 1.00 54.04 H new ATOM 0 HA ILE A 66 3.441 10.301 -6.000 1.00 32.11 H new ATOM 0 HB ILE A 66 4.429 7.776 -4.703 1.00 32.41 H new ATOM 0 HG12 ILE A 66 5.859 10.208 -5.808 1.00 34.42 H new ATOM 0 HG13 ILE A 66 5.818 9.673 -4.139 1.00 34.42 H new ATOM 0 HG21 ILE A 66 5.376 7.253 -6.911 1.00 33.32 H new ATOM 0 HG22 ILE A 66 3.598 7.310 -6.941 1.00 33.32 H new ATOM 0 HG23 ILE A 66 4.543 8.667 -7.598 1.00 33.32 H new ATOM 0 HD11 ILE A 66 7.934 8.992 -5.226 1.00 42.45 H new ATOM 0 HD12 ILE A 66 6.977 7.561 -4.773 1.00 42.45 H new ATOM 0 HD13 ILE A 66 7.019 8.104 -6.468 1.00 42.45 H new ATOM 1158 N ILE A 67 1.571 7.874 -4.799 1.00 34.24 N ATOM 1159 CA ILE A 67 0.326 7.155 -5.009 1.00 32.34 C ATOM 1160 C ILE A 67 -0.762 8.142 -5.436 1.00 73.40 C ATOM 1161 O ILE A 67 -1.499 7.885 -6.386 1.00 52.31 O ATOM 1162 CB ILE A 67 -0.037 6.339 -3.766 1.00 45.44 C ATOM 1163 CG1 ILE A 67 0.777 5.046 -3.703 1.00 52.04 C ATOM 1164 CG2 ILE A 67 -1.542 6.073 -3.706 1.00 30.32 C ATOM 1165 CD1 ILE A 67 0.586 4.215 -4.973 1.00 74.11 C ATOM 0 H ILE A 67 2.096 7.586 -3.973 1.00 34.24 H new ATOM 0 HA ILE A 67 0.435 6.431 -5.817 1.00 32.34 H new ATOM 0 HB ILE A 67 0.222 6.925 -2.884 1.00 45.44 H new ATOM 0 HG12 ILE A 67 1.833 5.283 -3.575 1.00 52.04 H new ATOM 0 HG13 ILE A 67 0.473 4.463 -2.834 1.00 52.04 H new ATOM 0 HG21 ILE A 67 -1.773 5.492 -2.814 1.00 30.32 H new ATOM 0 HG22 ILE A 67 -2.078 7.021 -3.670 1.00 30.32 H new ATOM 0 HG23 ILE A 67 -1.849 5.516 -4.591 1.00 30.32 H new ATOM 0 HD11 ILE A 67 1.176 3.301 -4.902 1.00 74.11 H new ATOM 0 HD12 ILE A 67 -0.468 3.959 -5.085 1.00 74.11 H new ATOM 0 HD13 ILE A 67 0.913 4.792 -5.838 1.00 74.11 H new ATOM 1177 N ARG A 68 -0.828 9.250 -4.713 1.00 44.40 N ATOM 1178 CA ARG A 68 -1.813 10.277 -5.007 1.00 13.42 C ATOM 1179 C ARG A 68 -1.613 10.817 -6.423 1.00 51.22 C ATOM 1180 O ARG A 68 -2.580 11.015 -7.159 1.00 0.23 O ATOM 1181 CB ARG A 68 -1.717 11.433 -4.009 1.00 13.44 C ATOM 1182 CG ARG A 68 -0.347 12.109 -4.083 1.00 12.22 C ATOM 1183 CD ARG A 68 -0.187 13.149 -2.974 1.00 24.23 C ATOM 1184 NE ARG A 68 0.974 14.021 -3.259 1.00 63.13 N ATOM 1185 CZ ARG A 68 1.197 15.208 -2.657 1.00 75.11 C ATOM 1186 NH1 ARG A 68 0.337 15.677 -1.727 1.00 73.42 N ATOM 1187 NH2 ARG A 68 2.268 15.904 -2.989 1.00 64.55 N ATOM 0 H ARG A 68 -0.216 9.459 -3.924 1.00 44.40 H new ATOM 0 HA ARG A 68 -2.800 9.822 -4.926 1.00 13.42 H new ATOM 0 HB2 ARG A 68 -2.499 12.164 -4.217 1.00 13.44 H new ATOM 0 HB3 ARG A 68 -1.889 11.061 -2.999 1.00 13.44 H new ATOM 0 HG2 ARG A 68 0.438 11.358 -3.997 1.00 12.22 H new ATOM 0 HG3 ARG A 68 -0.226 12.587 -5.055 1.00 12.22 H new ATOM 0 HD2 ARG A 68 -1.093 13.750 -2.895 1.00 24.23 H new ATOM 0 HD3 ARG A 68 -0.051 12.651 -2.014 1.00 24.23 H new ATOM 0 HE ARG A 68 1.649 13.705 -3.955 1.00 63.13 H new ATOM 0 HH11 ARG A 68 -0.488 15.133 -1.475 1.00 73.42 H new ATOM 0 HH12 ARG A 68 0.513 16.575 -1.277 1.00 73.42 H new ATOM 0 HH21 ARG A 68 2.913 15.543 -3.692 1.00 64.55 H new ATOM 0 HH22 ARG A 68 2.450 16.803 -2.543 1.00 64.55 H new ATOM 1200 N ARG A 69 -0.353 11.040 -6.764 1.00 52.40 N ATOM 1201 CA ARG A 69 -0.013 11.554 -8.082 1.00 45.24 C ATOM 1202 C ARG A 69 -0.512 10.600 -9.167 1.00 0.14 C ATOM 1203 O ARG A 69 -0.763 11.017 -10.298 1.00 4.20 O ATOM 1204 CB ARG A 69 1.499 11.737 -8.227 1.00 70.32 C ATOM 1205 CG ARG A 69 1.984 12.954 -7.437 1.00 44.21 C ATOM 1206 CD ARG A 69 1.545 14.255 -8.111 1.00 0.22 C ATOM 1207 NE ARG A 69 2.288 14.443 -9.378 1.00 10.40 N ATOM 1208 CZ ARG A 69 1.862 13.995 -10.578 1.00 73.23 C ATOM 1209 NH1 ARG A 69 0.694 13.326 -10.684 1.00 43.44 N ATOM 1210 NH2 ARG A 69 2.606 14.219 -11.645 1.00 11.44 N ATOM 0 H ARG A 69 0.446 10.875 -6.152 1.00 52.40 H new ATOM 0 HA ARG A 69 -0.497 12.524 -8.196 1.00 45.24 H new ATOM 0 HB2 ARG A 69 2.012 10.842 -7.874 1.00 70.32 H new ATOM 0 HB3 ARG A 69 1.755 11.857 -9.280 1.00 70.32 H new ATOM 0 HG2 ARG A 69 1.588 12.915 -6.422 1.00 44.21 H new ATOM 0 HG3 ARG A 69 3.071 12.930 -7.357 1.00 44.21 H new ATOM 0 HD2 ARG A 69 0.473 14.229 -8.308 1.00 0.22 H new ATOM 0 HD3 ARG A 69 1.726 15.099 -7.445 1.00 0.22 H new ATOM 0 HE ARG A 69 3.177 14.942 -9.342 1.00 10.40 H new ATOM 0 HH11 ARG A 69 0.127 13.156 -9.854 1.00 43.44 H new ATOM 0 HH12 ARG A 69 0.379 12.991 -11.594 1.00 43.44 H new ATOM 0 HH21 ARG A 69 3.488 14.724 -11.555 1.00 11.44 H new ATOM 0 HH22 ARG A 69 2.299 13.887 -12.559 1.00 11.44 H new ATOM 1223 N ARG A 70 -0.641 9.337 -8.788 1.00 44.14 N ATOM 1224 CA ARG A 70 -1.106 8.320 -9.716 1.00 12.55 C ATOM 1225 C ARG A 70 -2.625 8.400 -9.875 1.00 23.22 C ATOM 1226 O ARG A 70 -3.142 8.315 -10.988 1.00 5.20 O ATOM 1227 CB ARG A 70 -0.723 6.919 -9.235 1.00 25.13 C ATOM 1228 CG ARG A 70 0.591 6.461 -9.870 1.00 50.40 C ATOM 1229 CD ARG A 70 1.732 6.488 -8.850 1.00 24.25 C ATOM 1230 NE ARG A 70 2.985 6.926 -9.504 1.00 54.32 N ATOM 1231 CZ ARG A 70 3.138 8.112 -10.128 1.00 71.15 C ATOM 1232 NH1 ARG A 70 2.115 8.992 -10.189 1.00 51.00 N ATOM 1233 NH2 ARG A 70 4.303 8.401 -10.679 1.00 40.12 N ATOM 0 H ARG A 70 -0.431 8.995 -7.850 1.00 44.14 H new ATOM 0 HA ARG A 70 -0.627 8.505 -10.677 1.00 12.55 H new ATOM 0 HB2 ARG A 70 -0.626 6.917 -8.149 1.00 25.13 H new ATOM 0 HB3 ARG A 70 -1.517 6.215 -9.485 1.00 25.13 H new ATOM 0 HG2 ARG A 70 0.476 5.452 -10.265 1.00 50.40 H new ATOM 0 HG3 ARG A 70 0.836 7.107 -10.713 1.00 50.40 H new ATOM 0 HD2 ARG A 70 1.484 7.164 -8.032 1.00 24.25 H new ATOM 0 HD3 ARG A 70 1.866 5.497 -8.415 1.00 24.25 H new ATOM 0 HE ARG A 70 3.783 6.291 -9.482 1.00 54.32 H new ATOM 0 HH11 ARG A 70 1.218 8.762 -9.761 1.00 51.00 H new ATOM 0 HH12 ARG A 70 2.239 9.887 -10.663 1.00 51.00 H new ATOM 0 HH21 ARG A 70 5.071 7.732 -10.629 1.00 40.12 H new ATOM 0 HH22 ARG A 70 4.435 9.294 -11.155 1.00 40.12 H new ATOM 1246 N LEU A 71 -3.298 8.562 -8.745 1.00 54.34 N ATOM 1247 CA LEU A 71 -4.748 8.655 -8.744 1.00 61.25 C ATOM 1248 C LEU A 71 -5.172 9.949 -9.443 1.00 45.53 C ATOM 1249 O LEU A 71 -6.352 10.142 -9.738 1.00 31.41 O ATOM 1250 CB LEU A 71 -5.293 8.518 -7.322 1.00 11.24 C ATOM 1251 CG LEU A 71 -5.096 7.154 -6.657 1.00 72.23 C ATOM 1252 CD1 LEU A 71 -5.479 7.205 -5.177 1.00 40.55 C ATOM 1253 CD2 LEU A 71 -5.859 6.062 -7.408 1.00 31.15 C ATOM 0 H LEU A 71 -2.866 8.631 -7.824 1.00 54.34 H new ATOM 0 HA LEU A 71 -5.183 7.830 -9.308 1.00 61.25 H new ATOM 0 HB2 LEU A 71 -4.820 9.276 -6.698 1.00 11.24 H new ATOM 0 HB3 LEU A 71 -6.360 8.741 -7.340 1.00 11.24 H new ATOM 0 HG LEU A 71 -4.037 6.900 -6.708 1.00 72.23 H new ATOM 0 HD11 LEU A 71 -5.330 6.223 -4.728 1.00 40.55 H new ATOM 0 HD12 LEU A 71 -4.854 7.937 -4.665 1.00 40.55 H new ATOM 0 HD13 LEU A 71 -6.526 7.492 -5.082 1.00 40.55 H new ATOM 0 HD21 LEU A 71 -5.702 5.103 -6.914 1.00 31.15 H new ATOM 0 HD22 LEU A 71 -6.923 6.298 -7.411 1.00 31.15 H new ATOM 0 HD23 LEU A 71 -5.497 6.005 -8.434 1.00 31.15 H new ATOM 1265 N GLN A 72 -4.188 10.802 -9.688 1.00 1.14 N ATOM 1266 CA GLN A 72 -4.445 12.071 -10.346 1.00 2.32 C ATOM 1267 C GLN A 72 -5.668 12.753 -9.727 1.00 41.52 C ATOM 1268 O GLN A 72 -6.541 13.239 -10.444 1.00 73.52 O ATOM 1269 CB GLN A 72 -4.628 11.880 -11.853 1.00 45.04 C ATOM 1270 CG GLN A 72 -5.809 10.952 -12.149 1.00 10.21 C ATOM 1271 CD GLN A 72 -6.130 10.934 -13.645 1.00 21.30 C ATOM 1272 OE1 GLN A 72 -6.837 11.783 -14.165 1.00 5.54 O ATOM 1273 NE2 GLN A 72 -5.574 9.923 -14.305 1.00 53.14 N ATOM 0 H GLN A 72 -3.212 10.639 -9.442 1.00 1.14 H new ATOM 0 HA GLN A 72 -3.580 12.717 -10.197 1.00 2.32 H new ATOM 0 HB2 GLN A 72 -4.793 12.847 -12.328 1.00 45.04 H new ATOM 0 HB3 GLN A 72 -3.717 11.464 -12.284 1.00 45.04 H new ATOM 0 HG2 GLN A 72 -5.576 9.942 -11.811 1.00 10.21 H new ATOM 0 HG3 GLN A 72 -6.684 11.282 -11.589 1.00 10.21 H new ATOM 0 HE21 GLN A 72 -4.993 9.248 -13.808 1.00 53.14 H new ATOM 0 HE22 GLN A 72 -5.728 9.823 -15.308 1.00 53.14 H new ATOM 1282 N LEU A 73 -5.690 12.766 -8.402 1.00 45.22 N ATOM 1283 CA LEU A 73 -6.791 13.381 -7.680 1.00 53.22 C ATOM 1284 C LEU A 73 -6.526 14.880 -7.531 1.00 1.12 C ATOM 1285 O LEU A 73 -5.576 15.406 -8.110 1.00 24.52 O ATOM 1286 CB LEU A 73 -7.024 12.663 -6.348 1.00 60.03 C ATOM 1287 CG LEU A 73 -6.890 11.139 -6.376 1.00 42.11 C ATOM 1288 CD1 LEU A 73 -6.355 10.612 -5.043 1.00 2.10 C ATOM 1289 CD2 LEU A 73 -8.215 10.478 -6.763 1.00 40.04 C ATOM 0 H LEU A 73 -4.964 12.361 -7.811 1.00 45.22 H new ATOM 0 HA LEU A 73 -7.720 13.276 -8.241 1.00 53.22 H new ATOM 0 HB2 LEU A 73 -6.318 13.057 -5.617 1.00 60.03 H new ATOM 0 HB3 LEU A 73 -8.023 12.914 -5.993 1.00 60.03 H new ATOM 0 HG LEU A 73 -6.163 10.874 -7.143 1.00 42.11 H new ATOM 0 HD11 LEU A 73 -6.269 9.526 -5.089 1.00 2.10 H new ATOM 0 HD12 LEU A 73 -5.374 11.046 -4.848 1.00 2.10 H new ATOM 0 HD13 LEU A 73 -7.040 10.888 -4.241 1.00 2.10 H new ATOM 0 HD21 LEU A 73 -8.091 9.395 -6.775 1.00 40.04 H new ATOM 0 HD22 LEU A 73 -8.982 10.748 -6.037 1.00 40.04 H new ATOM 0 HD23 LEU A 73 -8.517 10.820 -7.753 1.00 40.04 H new ATOM 1301 N ASN A 74 -7.381 15.526 -6.754 1.00 35.22 N ATOM 1302 CA ASN A 74 -7.251 16.954 -6.522 1.00 74.20 C ATOM 1303 C ASN A 74 -6.982 17.204 -5.037 1.00 51.40 C ATOM 1304 O ASN A 74 -6.814 16.261 -4.266 1.00 1.13 O ATOM 1305 CB ASN A 74 -8.537 17.693 -6.900 1.00 44.21 C ATOM 1306 CG ASN A 74 -8.523 18.095 -8.377 1.00 42.24 C ATOM 1307 OD1 ASN A 74 -7.484 18.263 -8.992 1.00 33.31 O ATOM 1308 ND2 ASN A 74 -9.734 18.239 -8.908 1.00 1.30 N ATOM 0 H ASN A 74 -8.168 15.087 -6.276 1.00 35.22 H new ATOM 0 HA ASN A 74 -6.429 17.321 -7.137 1.00 74.20 H new ATOM 0 HB2 ASN A 74 -9.399 17.056 -6.701 1.00 44.21 H new ATOM 0 HB3 ASN A 74 -8.647 18.582 -6.278 1.00 44.21 H new ATOM 0 HD21 ASN A 74 -9.833 18.506 -9.888 1.00 1.30 H new ATOM 0 HD22 ASN A 74 -10.564 18.083 -8.336 1.00 1.30 H new ATOM 1315 N ALA A 75 -6.948 18.479 -4.680 1.00 12.11 N ATOM 1316 CA ALA A 75 -6.702 18.864 -3.301 1.00 24.42 C ATOM 1317 C ALA A 75 -7.916 18.490 -2.447 1.00 44.43 C ATOM 1318 O ALA A 75 -7.772 18.143 -1.277 1.00 11.42 O ATOM 1319 CB ALA A 75 -6.384 20.360 -3.238 1.00 14.40 C ATOM 0 H ALA A 75 -7.087 19.259 -5.322 1.00 12.11 H new ATOM 0 HA ALA A 75 -5.840 18.330 -2.901 1.00 24.42 H new ATOM 0 HB1 ALA A 75 -6.199 20.649 -2.203 1.00 14.40 H new ATOM 0 HB2 ALA A 75 -5.498 20.569 -3.837 1.00 14.40 H new ATOM 0 HB3 ALA A 75 -7.228 20.928 -3.629 1.00 14.40 H new ATOM 1325 N ASN A 76 -9.084 18.573 -3.067 1.00 1.33 N ATOM 1326 CA ASN A 76 -10.321 18.246 -2.379 1.00 24.12 C ATOM 1327 C ASN A 76 -10.361 16.742 -2.097 1.00 74.34 C ATOM 1328 O ASN A 76 -10.802 16.320 -1.030 1.00 61.04 O ATOM 1329 CB ASN A 76 -11.538 18.600 -3.236 1.00 13.50 C ATOM 1330 CG ASN A 76 -11.851 20.095 -3.154 1.00 64.51 C ATOM 1331 OD1 ASN A 76 -12.077 20.650 -2.092 1.00 13.31 O ATOM 1332 ND2 ASN A 76 -11.853 20.712 -4.333 1.00 33.55 N ATOM 0 H ASN A 76 -9.200 18.862 -4.038 1.00 1.33 H new ATOM 0 HA ASN A 76 -10.354 18.820 -1.453 1.00 24.12 H new ATOM 0 HB2 ASN A 76 -11.351 18.321 -4.273 1.00 13.50 H new ATOM 0 HB3 ASN A 76 -12.402 18.025 -2.902 1.00 13.50 H new ATOM 0 HD21 ASN A 76 -12.052 21.711 -4.385 1.00 33.55 H new ATOM 0 HD22 ASN A 76 -11.655 20.186 -5.184 1.00 33.55 H new ATOM 1339 N GLN A 77 -9.896 15.977 -3.073 1.00 5.11 N ATOM 1340 CA GLN A 77 -9.874 14.531 -2.944 1.00 23.14 C ATOM 1341 C GLN A 77 -9.001 14.117 -1.756 1.00 75.30 C ATOM 1342 O GLN A 77 -7.979 14.745 -1.484 1.00 22.03 O ATOM 1343 CB GLN A 77 -9.387 13.871 -4.236 1.00 64.02 C ATOM 1344 CG GLN A 77 -10.026 12.494 -4.423 1.00 4.53 C ATOM 1345 CD GLN A 77 -9.605 11.536 -3.307 1.00 63.11 C ATOM 1346 OE1 GLN A 77 -8.436 11.235 -3.122 1.00 32.13 O ATOM 1347 NE2 GLN A 77 -10.616 11.078 -2.576 1.00 2.12 N ATOM 0 H GLN A 77 -9.531 16.332 -3.957 1.00 5.11 H new ATOM 0 HA GLN A 77 -10.892 14.188 -2.761 1.00 23.14 H new ATOM 0 HB2 GLN A 77 -9.630 14.507 -5.087 1.00 64.02 H new ATOM 0 HB3 GLN A 77 -8.302 13.772 -4.211 1.00 64.02 H new ATOM 0 HG2 GLN A 77 -11.112 12.592 -4.433 1.00 4.53 H new ATOM 0 HG3 GLN A 77 -9.734 12.082 -5.389 1.00 4.53 H new ATOM 0 HE21 GLN A 77 -11.570 11.371 -2.785 1.00 2.12 H new ATOM 0 HE22 GLN A 77 -10.438 10.434 -1.806 1.00 2.12 H new ATOM 1356 N ALA A 78 -9.438 13.065 -1.080 1.00 0.35 N ATOM 1357 CA ALA A 78 -8.710 12.561 0.072 1.00 43.41 C ATOM 1358 C ALA A 78 -8.301 11.108 -0.184 1.00 61.31 C ATOM 1359 O ALA A 78 -9.121 10.293 -0.602 1.00 75.30 O ATOM 1360 CB ALA A 78 -9.573 12.710 1.326 1.00 61.34 C ATOM 0 H ALA A 78 -10.287 12.548 -1.308 1.00 0.35 H new ATOM 0 HA ALA A 78 -7.799 13.137 0.232 1.00 43.41 H new ATOM 0 HB1 ALA A 78 -9.027 12.332 2.190 1.00 61.34 H new ATOM 0 HB2 ALA A 78 -9.813 13.762 1.480 1.00 61.34 H new ATOM 0 HB3 ALA A 78 -10.495 12.142 1.203 1.00 61.34 H new ATOM 1366 N PHE A 79 -7.031 10.831 0.077 1.00 75.54 N ATOM 1367 CA PHE A 79 -6.503 9.492 -0.120 1.00 50.43 C ATOM 1368 C PHE A 79 -5.714 9.027 1.105 1.00 43.02 C ATOM 1369 O PHE A 79 -4.726 9.653 1.485 1.00 63.34 O ATOM 1370 CB PHE A 79 -5.561 9.555 -1.325 1.00 54.22 C ATOM 1371 CG PHE A 79 -4.398 8.562 -1.258 1.00 64.41 C ATOM 1372 CD1 PHE A 79 -4.646 7.237 -1.078 1.00 41.31 C ATOM 1373 CD2 PHE A 79 -3.118 9.006 -1.379 1.00 44.31 C ATOM 1374 CE1 PHE A 79 -3.567 6.316 -1.017 1.00 70.15 C ATOM 1375 CE2 PHE A 79 -2.040 8.084 -1.318 1.00 23.15 C ATOM 1376 CZ PHE A 79 -2.287 6.759 -1.138 1.00 20.55 C ATOM 0 H PHE A 79 -6.354 11.511 0.423 1.00 75.54 H new ATOM 0 HA PHE A 79 -7.321 8.790 -0.279 1.00 50.43 H new ATOM 0 HB2 PHE A 79 -6.135 9.366 -2.232 1.00 54.22 H new ATOM 0 HB3 PHE A 79 -5.159 10.565 -1.407 1.00 54.22 H new ATOM 0 HD1 PHE A 79 -5.663 6.886 -0.982 1.00 41.31 H new ATOM 0 HD2 PHE A 79 -2.922 10.058 -1.521 1.00 44.31 H new ATOM 0 HE1 PHE A 79 -3.763 5.264 -0.874 1.00 70.15 H new ATOM 0 HE2 PHE A 79 -1.023 8.435 -1.415 1.00 23.15 H new ATOM 0 HZ PHE A 79 -1.466 6.058 -1.091 1.00 20.55 H new ATOM 1386 N PHE A 80 -6.180 7.934 1.691 1.00 13.24 N ATOM 1387 CA PHE A 80 -5.531 7.379 2.866 1.00 53.43 C ATOM 1388 C PHE A 80 -5.014 5.965 2.590 1.00 1.31 C ATOM 1389 O PHE A 80 -5.800 5.046 2.371 1.00 11.12 O ATOM 1390 CB PHE A 80 -6.585 7.318 3.973 1.00 51.05 C ATOM 1391 CG PHE A 80 -6.973 8.685 4.538 1.00 52.55 C ATOM 1392 CD1 PHE A 80 -6.011 9.528 5.001 1.00 23.51 C ATOM 1393 CD2 PHE A 80 -8.281 9.058 4.577 1.00 20.11 C ATOM 1394 CE1 PHE A 80 -6.373 10.796 5.526 1.00 25.31 C ATOM 1395 CE2 PHE A 80 -8.641 10.327 5.102 1.00 2.11 C ATOM 1396 CZ PHE A 80 -7.680 11.170 5.565 1.00 53.22 C ATOM 0 H PHE A 80 -7.000 7.418 1.373 1.00 13.24 H new ATOM 0 HA PHE A 80 -4.680 7.999 3.149 1.00 53.43 H new ATOM 0 HB2 PHE A 80 -7.479 6.830 3.583 1.00 51.05 H new ATOM 0 HB3 PHE A 80 -6.210 6.694 4.784 1.00 51.05 H new ATOM 0 HD1 PHE A 80 -4.973 9.233 4.969 1.00 23.51 H new ATOM 0 HD2 PHE A 80 -9.045 8.389 4.209 1.00 20.11 H new ATOM 0 HE1 PHE A 80 -5.609 11.465 5.895 1.00 25.31 H new ATOM 0 HE2 PHE A 80 -9.679 10.623 5.134 1.00 2.11 H new ATOM 0 HZ PHE A 80 -7.954 12.136 5.963 1.00 53.22 H new ATOM 1406 N LEU A 81 -3.696 5.836 2.612 1.00 13.24 N ATOM 1407 CA LEU A 81 -3.066 4.550 2.367 1.00 10.45 C ATOM 1408 C LEU A 81 -2.895 3.810 3.695 1.00 41.41 C ATOM 1409 O LEU A 81 -2.074 4.197 4.525 1.00 2.13 O ATOM 1410 CB LEU A 81 -1.759 4.733 1.593 1.00 51.24 C ATOM 1411 CG LEU A 81 -1.186 3.474 0.937 1.00 41.44 C ATOM 1412 CD1 LEU A 81 -2.274 2.418 0.735 1.00 70.10 C ATOM 1413 CD2 LEU A 81 -0.468 3.815 -0.370 1.00 32.24 C ATOM 0 H LEU A 81 -3.047 6.601 2.796 1.00 13.24 H new ATOM 0 HA LEU A 81 -3.700 3.929 1.734 1.00 10.45 H new ATOM 0 HB2 LEU A 81 -1.921 5.481 0.817 1.00 51.24 H new ATOM 0 HB3 LEU A 81 -1.010 5.137 2.274 1.00 51.24 H new ATOM 0 HG LEU A 81 -0.443 3.046 1.610 1.00 41.44 H new ATOM 0 HD11 LEU A 81 -1.841 1.534 0.267 1.00 70.10 H new ATOM 0 HD12 LEU A 81 -2.701 2.146 1.700 1.00 70.10 H new ATOM 0 HD13 LEU A 81 -3.057 2.821 0.093 1.00 70.10 H new ATOM 0 HD21 LEU A 81 -0.070 2.903 -0.815 1.00 32.24 H new ATOM 0 HD22 LEU A 81 -1.171 4.280 -1.061 1.00 32.24 H new ATOM 0 HD23 LEU A 81 0.350 4.506 -0.166 1.00 32.24 H new ATOM 1425 N LEU A 82 -3.684 2.758 3.855 1.00 11.13 N ATOM 1426 CA LEU A 82 -3.631 1.959 5.068 1.00 2.41 C ATOM 1427 C LEU A 82 -2.572 0.867 4.909 1.00 23.30 C ATOM 1428 O LEU A 82 -2.718 -0.027 4.077 1.00 74.12 O ATOM 1429 CB LEU A 82 -5.020 1.423 5.418 1.00 22.52 C ATOM 1430 CG LEU A 82 -6.095 2.475 5.697 1.00 4.22 C ATOM 1431 CD1 LEU A 82 -5.843 3.175 7.035 1.00 24.35 C ATOM 1432 CD2 LEU A 82 -6.202 3.471 4.540 1.00 2.33 C ATOM 0 H LEU A 82 -4.364 2.440 3.165 1.00 11.13 H new ATOM 0 HA LEU A 82 -3.330 2.574 5.916 1.00 2.41 H new ATOM 0 HB2 LEU A 82 -5.362 0.792 4.597 1.00 22.52 H new ATOM 0 HB3 LEU A 82 -4.930 0.783 6.296 1.00 22.52 H new ATOM 0 HG LEU A 82 -7.057 1.968 5.775 1.00 4.22 H new ATOM 0 HD11 LEU A 82 -6.621 3.918 7.209 1.00 24.35 H new ATOM 0 HD12 LEU A 82 -5.857 2.439 7.839 1.00 24.35 H new ATOM 0 HD13 LEU A 82 -4.871 3.667 7.011 1.00 24.35 H new ATOM 0 HD21 LEU A 82 -6.973 4.208 4.764 1.00 2.33 H new ATOM 0 HD22 LEU A 82 -5.246 3.976 4.405 1.00 2.33 H new ATOM 0 HD23 LEU A 82 -6.463 2.939 3.625 1.00 2.33 H new ATOM 1444 N VAL A 83 -1.529 0.975 5.719 1.00 23.42 N ATOM 1445 CA VAL A 83 -0.445 0.008 5.678 1.00 54.23 C ATOM 1446 C VAL A 83 -0.826 -1.212 6.521 1.00 0.12 C ATOM 1447 O VAL A 83 -0.879 -1.132 7.746 1.00 11.13 O ATOM 1448 CB VAL A 83 0.860 0.664 6.132 1.00 55.34 C ATOM 1449 CG1 VAL A 83 1.814 -0.370 6.732 1.00 75.33 C ATOM 1450 CG2 VAL A 83 1.524 1.418 4.977 1.00 25.30 C ATOM 0 H VAL A 83 -1.412 1.718 6.408 1.00 23.42 H new ATOM 0 HA VAL A 83 -0.280 -0.339 4.658 1.00 54.23 H new ATOM 0 HB VAL A 83 0.619 1.388 6.911 1.00 55.34 H new ATOM 0 HG11 VAL A 83 2.734 0.123 7.047 1.00 75.33 H new ATOM 0 HG12 VAL A 83 1.343 -0.843 7.594 1.00 75.33 H new ATOM 0 HG13 VAL A 83 2.046 -1.128 5.984 1.00 75.33 H new ATOM 0 HG21 VAL A 83 2.450 1.875 5.326 1.00 25.30 H new ATOM 0 HG22 VAL A 83 1.745 0.722 4.168 1.00 25.30 H new ATOM 0 HG23 VAL A 83 0.850 2.194 4.614 1.00 25.30 H new ATOM 1460 N ASN A 84 -1.078 -2.313 5.829 1.00 71.21 N ATOM 1461 CA ASN A 84 -1.451 -3.548 6.498 1.00 22.42 C ATOM 1462 C ASN A 84 -2.868 -3.411 7.060 1.00 41.23 C ATOM 1463 O ASN A 84 -3.349 -4.297 7.764 1.00 15.22 O ATOM 1464 CB ASN A 84 -0.507 -3.850 7.663 1.00 70.52 C ATOM 1465 CG ASN A 84 0.250 -5.159 7.430 1.00 20.31 C ATOM 1466 OD1 ASN A 84 -0.194 -6.045 6.720 1.00 32.51 O ATOM 1467 ND2 ASN A 84 1.415 -5.231 8.069 1.00 73.33 N ATOM 0 H ASN A 84 -1.031 -2.376 4.812 1.00 71.21 H new ATOM 0 HA ASN A 84 -1.394 -4.357 5.769 1.00 22.42 H new ATOM 0 HB2 ASN A 84 0.203 -3.031 7.782 1.00 70.52 H new ATOM 0 HB3 ASN A 84 -1.077 -3.915 8.590 1.00 70.52 H new ATOM 0 HD21 ASN A 84 1.995 -6.065 7.979 1.00 73.33 H new ATOM 0 HD22 ASN A 84 1.728 -4.452 8.648 1.00 73.33 H new ATOM 1474 N GLY A 85 -3.496 -2.293 6.727 1.00 4.15 N ATOM 1475 CA GLY A 85 -4.848 -2.029 7.190 1.00 4.21 C ATOM 1476 C GLY A 85 -4.862 -0.905 8.228 1.00 61.15 C ATOM 1477 O GLY A 85 -5.911 -0.581 8.784 1.00 20.01 O ATOM 0 H GLY A 85 -3.094 -1.560 6.143 1.00 4.15 H new ATOM 0 HA2 GLY A 85 -5.479 -1.756 6.344 1.00 4.21 H new ATOM 0 HA3 GLY A 85 -5.271 -2.935 7.624 1.00 4.21 H new ATOM 1481 N HIS A 86 -3.685 -0.342 8.459 1.00 25.23 N ATOM 1482 CA HIS A 86 -3.548 0.739 9.422 1.00 11.12 C ATOM 1483 C HIS A 86 -2.935 1.961 8.737 1.00 50.33 C ATOM 1484 O HIS A 86 -1.910 1.852 8.065 1.00 50.41 O ATOM 1485 CB HIS A 86 -2.750 0.280 10.644 1.00 31.02 C ATOM 1486 CG HIS A 86 -1.425 -0.358 10.308 1.00 33.33 C ATOM 1487 ND1 HIS A 86 -0.293 0.379 10.003 1.00 72.14 N ATOM 1488 CD2 HIS A 86 -1.061 -1.671 10.231 1.00 74.02 C ATOM 1489 CE1 HIS A 86 0.700 -0.462 9.756 1.00 52.33 C ATOM 1490 NE2 HIS A 86 0.223 -1.731 9.897 1.00 4.14 N ATOM 0 H HIS A 86 -2.817 -0.614 7.996 1.00 25.23 H new ATOM 0 HA HIS A 86 -4.531 1.029 9.792 1.00 11.12 H new ATOM 0 HB2 HIS A 86 -2.574 1.138 11.293 1.00 31.02 H new ATOM 0 HB3 HIS A 86 -3.351 -0.431 11.211 1.00 31.02 H new ATOM 0 HD2 HIS A 86 -1.707 -2.517 10.411 1.00 74.02 H new ATOM 0 HE1 HIS A 86 1.711 -0.190 9.490 1.00 52.33 H new ATOM 0 HE2 HIS A 86 0.763 -2.586 9.767 1.00 4.14 H new ATOM 1498 N SER A 87 -3.586 3.098 8.932 1.00 21.12 N ATOM 1499 CA SER A 87 -3.116 4.340 8.341 1.00 35.33 C ATOM 1500 C SER A 87 -1.683 4.626 8.793 1.00 12.03 C ATOM 1501 O SER A 87 -1.151 3.932 9.659 1.00 44.20 O ATOM 1502 CB SER A 87 -4.033 5.507 8.714 1.00 21.01 C ATOM 1503 OG SER A 87 -4.684 5.298 9.964 1.00 72.54 O ATOM 0 H SER A 87 -4.435 3.186 9.491 1.00 21.12 H new ATOM 0 HA SER A 87 -3.132 4.231 7.257 1.00 35.33 H new ATOM 0 HB2 SER A 87 -3.449 6.426 8.759 1.00 21.01 H new ATOM 0 HB3 SER A 87 -4.782 5.643 7.934 1.00 21.01 H new ATOM 0 HG SER A 87 -4.568 6.090 10.530 1.00 72.54 H new ATOM 1509 N MET A 88 -1.098 5.648 8.187 1.00 23.44 N ATOM 1510 CA MET A 88 0.264 6.034 8.516 1.00 70.11 C ATOM 1511 C MET A 88 0.310 7.456 9.079 1.00 34.21 C ATOM 1512 O MET A 88 1.234 8.213 8.786 1.00 30.24 O ATOM 1513 CB MET A 88 1.135 5.952 7.261 1.00 23.21 C ATOM 1514 CG MET A 88 0.345 6.365 6.017 1.00 12.04 C ATOM 1515 SD MET A 88 -0.244 8.041 6.196 1.00 73.31 S ATOM 1516 CE MET A 88 -1.973 7.804 5.823 1.00 51.33 C ATOM 0 H MET A 88 -1.542 6.221 7.470 1.00 23.44 H new ATOM 0 HA MET A 88 0.642 5.351 9.276 1.00 70.11 H new ATOM 0 HB2 MET A 88 2.005 6.599 7.375 1.00 23.21 H new ATOM 0 HB3 MET A 88 1.508 4.935 7.138 1.00 23.21 H new ATOM 0 HG2 MET A 88 0.976 6.285 5.132 1.00 12.04 H new ATOM 0 HG3 MET A 88 -0.497 5.689 5.870 1.00 12.04 H new ATOM 0 HE1 MET A 88 -2.376 8.711 5.373 1.00 51.33 H new ATOM 0 HE2 MET A 88 -2.084 6.973 5.126 1.00 51.33 H new ATOM 0 HE3 MET A 88 -2.516 7.583 6.742 1.00 51.33 H new ATOM 1526 N VAL A 89 -0.698 7.775 9.878 1.00 62.44 N ATOM 1527 CA VAL A 89 -0.784 9.093 10.484 1.00 62.21 C ATOM 1528 C VAL A 89 0.441 9.322 11.371 1.00 24.13 C ATOM 1529 O VAL A 89 0.714 10.450 11.779 1.00 1.15 O ATOM 1530 CB VAL A 89 -2.106 9.235 11.242 1.00 72.11 C ATOM 1531 CG1 VAL A 89 -2.065 8.465 12.563 1.00 53.23 C ATOM 1532 CG2 VAL A 89 -2.448 10.707 11.475 1.00 72.21 C ATOM 0 H VAL A 89 -1.462 7.144 10.120 1.00 62.44 H new ATOM 0 HA VAL A 89 -0.780 9.867 9.717 1.00 62.21 H new ATOM 0 HB VAL A 89 -2.894 8.802 10.626 1.00 72.11 H new ATOM 0 HG11 VAL A 89 -3.016 8.582 13.082 1.00 53.23 H new ATOM 0 HG12 VAL A 89 -1.889 7.408 12.363 1.00 53.23 H new ATOM 0 HG13 VAL A 89 -1.261 8.855 13.187 1.00 53.23 H new ATOM 0 HG21 VAL A 89 -3.392 10.780 12.015 1.00 72.21 H new ATOM 0 HG22 VAL A 89 -1.657 11.176 12.061 1.00 72.21 H new ATOM 0 HG23 VAL A 89 -2.539 11.216 10.515 1.00 72.21 H new ATOM 1542 N SER A 90 1.147 8.235 11.642 1.00 43.15 N ATOM 1543 CA SER A 90 2.337 8.302 12.474 1.00 5.54 C ATOM 1544 C SER A 90 3.566 7.885 11.663 1.00 40.34 C ATOM 1545 O SER A 90 4.532 7.364 12.219 1.00 35.33 O ATOM 1546 CB SER A 90 2.194 7.419 13.714 1.00 14.32 C ATOM 1547 OG SER A 90 1.965 6.055 13.374 1.00 2.52 O ATOM 0 H SER A 90 0.918 7.302 11.300 1.00 43.15 H new ATOM 0 HA SER A 90 2.462 9.332 12.809 1.00 5.54 H new ATOM 0 HB2 SER A 90 3.097 7.495 14.319 1.00 14.32 H new ATOM 0 HB3 SER A 90 1.369 7.784 14.326 1.00 14.32 H new ATOM 0 HG SER A 90 1.881 5.523 14.193 1.00 2.52 H new ATOM 1553 N VAL A 91 3.489 8.128 10.364 1.00 73.43 N ATOM 1554 CA VAL A 91 4.583 7.784 9.472 1.00 23.12 C ATOM 1555 C VAL A 91 5.904 8.252 10.086 1.00 2.11 C ATOM 1556 O VAL A 91 6.289 9.409 9.933 1.00 34.04 O ATOM 1557 CB VAL A 91 4.330 8.372 8.082 1.00 41.51 C ATOM 1558 CG1 VAL A 91 3.639 9.734 8.180 1.00 4.23 C ATOM 1559 CG2 VAL A 91 5.631 8.473 7.284 1.00 15.53 C ATOM 0 H VAL A 91 2.686 8.559 9.907 1.00 73.43 H new ATOM 0 HA VAL A 91 4.647 6.703 9.347 1.00 23.12 H new ATOM 0 HB VAL A 91 3.662 7.695 7.549 1.00 41.51 H new ATOM 0 HG11 VAL A 91 3.471 10.130 7.178 1.00 4.23 H new ATOM 0 HG12 VAL A 91 2.683 9.621 8.691 1.00 4.23 H new ATOM 0 HG13 VAL A 91 4.271 10.423 8.741 1.00 4.23 H new ATOM 0 HG21 VAL A 91 5.423 8.894 6.300 1.00 15.53 H new ATOM 0 HG22 VAL A 91 6.333 9.117 7.813 1.00 15.53 H new ATOM 0 HG23 VAL A 91 6.065 7.480 7.169 1.00 15.53 H new ATOM 1569 N SER A 92 6.561 7.327 10.770 1.00 1.13 N ATOM 1570 CA SER A 92 7.830 7.629 11.409 1.00 51.40 C ATOM 1571 C SER A 92 8.848 6.530 11.098 1.00 74.42 C ATOM 1572 O SER A 92 9.815 6.348 11.835 1.00 22.05 O ATOM 1573 CB SER A 92 7.662 7.783 12.922 1.00 12.45 C ATOM 1574 OG SER A 92 7.205 9.085 13.278 1.00 11.51 O ATOM 0 H SER A 92 6.238 6.368 10.896 1.00 1.13 H new ATOM 0 HA SER A 92 8.195 8.576 11.012 1.00 51.40 H new ATOM 0 HB2 SER A 92 6.954 7.038 13.286 1.00 12.45 H new ATOM 0 HB3 SER A 92 8.614 7.586 13.415 1.00 12.45 H new ATOM 0 HG SER A 92 7.109 9.143 14.252 1.00 11.51 H new ATOM 1580 N THR A 93 8.594 5.826 10.004 1.00 61.14 N ATOM 1581 CA THR A 93 9.477 4.749 9.586 1.00 63.22 C ATOM 1582 C THR A 93 9.611 4.732 8.063 1.00 21.35 C ATOM 1583 O THR A 93 8.652 5.018 7.347 1.00 40.15 O ATOM 1584 CB THR A 93 8.932 3.441 10.163 1.00 14.31 C ATOM 1585 OG1 THR A 93 9.153 3.562 11.566 1.00 4.41 O ATOM 1586 CG2 THR A 93 9.772 2.227 9.757 1.00 72.01 C ATOM 0 H THR A 93 7.790 5.980 9.395 1.00 61.14 H new ATOM 0 HA THR A 93 10.487 4.894 9.968 1.00 63.22 H new ATOM 0 HB THR A 93 7.904 3.298 9.831 1.00 14.31 H new ATOM 0 HG1 THR A 93 8.827 2.757 12.019 1.00 4.41 H new ATOM 0 HG21 THR A 93 9.342 1.325 10.193 1.00 72.01 H new ATOM 0 HG22 THR A 93 9.780 2.137 8.671 1.00 72.01 H new ATOM 0 HG23 THR A 93 10.793 2.354 10.118 1.00 72.01 H new ATOM 1594 N PRO A 94 10.842 4.384 7.598 1.00 14.14 N ATOM 1595 CA PRO A 94 11.115 4.325 6.173 1.00 74.20 C ATOM 1596 C PRO A 94 10.488 3.079 5.545 1.00 15.02 C ATOM 1597 O PRO A 94 10.474 2.012 6.156 1.00 45.33 O ATOM 1598 CB PRO A 94 12.631 4.349 6.061 1.00 44.34 C ATOM 1599 CG PRO A 94 13.155 3.951 7.430 1.00 22.42 C ATOM 1600 CD PRO A 94 12.001 4.039 8.415 1.00 54.04 C ATOM 0 HA PRO A 94 10.676 5.159 5.626 1.00 74.20 H new ATOM 0 HB2 PRO A 94 12.977 3.657 5.294 1.00 44.34 H new ATOM 0 HB3 PRO A 94 12.986 5.340 5.780 1.00 44.34 H new ATOM 0 HG2 PRO A 94 13.559 2.939 7.405 1.00 22.42 H new ATOM 0 HG3 PRO A 94 13.968 4.611 7.734 1.00 22.42 H new ATOM 0 HD2 PRO A 94 11.851 3.093 8.935 1.00 54.04 H new ATOM 0 HD3 PRO A 94 12.188 4.796 9.177 1.00 54.04 H new ATOM 1608 N ILE A 95 9.983 3.256 4.333 1.00 43.23 N ATOM 1609 CA ILE A 95 9.357 2.159 3.615 1.00 11.34 C ATOM 1610 C ILE A 95 10.243 0.916 3.717 1.00 4.52 C ATOM 1611 O ILE A 95 9.745 -0.208 3.711 1.00 11.01 O ATOM 1612 CB ILE A 95 9.039 2.571 2.176 1.00 53.24 C ATOM 1613 CG1 ILE A 95 7.924 1.702 1.590 1.00 71.40 C ATOM 1614 CG2 ILE A 95 10.299 2.549 1.309 1.00 74.51 C ATOM 1615 CD1 ILE A 95 6.769 2.564 1.079 1.00 23.35 C ATOM 0 H ILE A 95 9.995 4.143 3.830 1.00 43.23 H new ATOM 0 HA ILE A 95 8.399 1.906 4.068 1.00 11.34 H new ATOM 0 HB ILE A 95 8.674 3.598 2.187 1.00 53.24 H new ATOM 0 HG12 ILE A 95 8.320 1.097 0.774 1.00 71.40 H new ATOM 0 HG13 ILE A 95 7.559 1.011 2.350 1.00 71.40 H new ATOM 0 HG21 ILE A 95 10.046 2.846 0.291 1.00 74.51 H new ATOM 0 HG22 ILE A 95 11.034 3.243 1.717 1.00 74.51 H new ATOM 0 HG23 ILE A 95 10.717 1.542 1.300 1.00 74.51 H new ATOM 0 HD11 ILE A 95 5.990 1.922 0.668 1.00 23.35 H new ATOM 0 HD12 ILE A 95 6.360 3.149 1.903 1.00 23.35 H new ATOM 0 HD13 ILE A 95 7.133 3.236 0.302 1.00 23.35 H new ATOM 1627 N SER A 96 11.541 1.160 3.809 1.00 11.42 N ATOM 1628 CA SER A 96 12.502 0.076 3.912 1.00 51.52 C ATOM 1629 C SER A 96 12.192 -0.783 5.140 1.00 41.31 C ATOM 1630 O SER A 96 12.197 -2.011 5.061 1.00 24.42 O ATOM 1631 CB SER A 96 13.933 0.611 3.988 1.00 73.11 C ATOM 1632 OG SER A 96 14.063 1.653 4.952 1.00 50.12 O ATOM 0 H SER A 96 11.950 2.094 3.814 1.00 11.42 H new ATOM 0 HA SER A 96 12.420 -0.538 3.015 1.00 51.52 H new ATOM 0 HB2 SER A 96 14.612 -0.204 4.241 1.00 73.11 H new ATOM 0 HB3 SER A 96 14.233 0.984 3.009 1.00 73.11 H new ATOM 0 HG SER A 96 14.991 1.967 4.972 1.00 50.12 H new ATOM 1638 N GLU A 97 11.928 -0.104 6.246 1.00 73.25 N ATOM 1639 CA GLU A 97 11.616 -0.790 7.489 1.00 22.40 C ATOM 1640 C GLU A 97 10.145 -1.210 7.508 1.00 74.43 C ATOM 1641 O GLU A 97 9.828 -2.360 7.808 1.00 53.53 O ATOM 1642 CB GLU A 97 11.951 0.087 8.697 1.00 24.31 C ATOM 1643 CG GLU A 97 13.458 0.109 8.957 1.00 14.32 C ATOM 1644 CD GLU A 97 13.755 0.280 10.448 1.00 13.10 C ATOM 1645 OE1 GLU A 97 12.822 0.374 11.260 1.00 33.11 O ATOM 1646 OE2 GLU A 97 15.008 0.313 10.756 1.00 21.14 O ATOM 0 H GLU A 97 11.924 0.914 6.308 1.00 73.25 H new ATOM 0 HA GLU A 97 12.231 -1.688 7.551 1.00 22.40 H new ATOM 0 HB2 GLU A 97 11.593 1.102 8.524 1.00 24.31 H new ATOM 0 HB3 GLU A 97 11.432 -0.288 9.579 1.00 24.31 H new ATOM 0 HG2 GLU A 97 13.906 -0.817 8.597 1.00 14.32 H new ATOM 0 HG3 GLU A 97 13.916 0.924 8.396 1.00 14.32 H new ATOM 1654 N VAL A 98 9.285 -0.256 7.183 1.00 73.03 N ATOM 1655 CA VAL A 98 7.855 -0.513 7.159 1.00 14.31 C ATOM 1656 C VAL A 98 7.586 -1.801 6.378 1.00 14.23 C ATOM 1657 O VAL A 98 6.577 -2.467 6.602 1.00 62.31 O ATOM 1658 CB VAL A 98 7.115 0.698 6.588 1.00 13.13 C ATOM 1659 CG1 VAL A 98 5.758 0.290 6.011 1.00 53.03 C ATOM 1660 CG2 VAL A 98 6.954 1.791 7.647 1.00 53.40 C ATOM 0 H VAL A 98 9.551 0.697 6.934 1.00 73.03 H new ATOM 0 HA VAL A 98 7.476 -0.661 8.170 1.00 14.31 H new ATOM 0 HB VAL A 98 7.716 1.105 5.775 1.00 13.13 H new ATOM 0 HG11 VAL A 98 5.253 1.170 5.612 1.00 53.03 H new ATOM 0 HG12 VAL A 98 5.906 -0.437 5.213 1.00 53.03 H new ATOM 0 HG13 VAL A 98 5.147 -0.154 6.797 1.00 53.03 H new ATOM 0 HG21 VAL A 98 6.425 2.641 7.215 1.00 53.40 H new ATOM 0 HG22 VAL A 98 6.385 1.400 8.490 1.00 53.40 H new ATOM 0 HG23 VAL A 98 7.937 2.112 7.991 1.00 53.40 H new ATOM 1670 N TYR A 99 8.506 -2.111 5.476 1.00 23.41 N ATOM 1671 CA TYR A 99 8.381 -3.306 4.660 1.00 72.23 C ATOM 1672 C TYR A 99 8.828 -4.548 5.435 1.00 41.42 C ATOM 1673 O TYR A 99 8.106 -5.543 5.489 1.00 44.51 O ATOM 1674 CB TYR A 99 9.316 -3.102 3.466 1.00 73.42 C ATOM 1675 CG TYR A 99 9.591 -4.376 2.665 1.00 71.20 C ATOM 1676 CD1 TYR A 99 10.540 -5.276 3.105 1.00 72.44 C ATOM 1677 CD2 TYR A 99 8.890 -4.625 1.503 1.00 10.12 C ATOM 1678 CE1 TYR A 99 10.798 -6.475 2.352 1.00 65.15 C ATOM 1679 CE2 TYR A 99 9.149 -5.824 0.749 1.00 13.41 C ATOM 1680 CZ TYR A 99 10.090 -6.691 1.211 1.00 12.34 C ATOM 1681 OH TYR A 99 10.335 -7.824 0.499 1.00 34.03 O ATOM 0 H TYR A 99 9.341 -1.555 5.293 1.00 23.41 H new ATOM 0 HA TYR A 99 7.345 -3.458 4.358 1.00 72.23 H new ATOM 0 HB2 TYR A 99 8.882 -2.354 2.802 1.00 73.42 H new ATOM 0 HB3 TYR A 99 10.263 -2.699 3.824 1.00 73.42 H new ATOM 0 HD1 TYR A 99 11.089 -5.081 4.014 1.00 72.44 H new ATOM 0 HD2 TYR A 99 8.147 -3.921 1.159 1.00 10.12 H new ATOM 0 HE1 TYR A 99 11.538 -7.188 2.686 1.00 65.15 H new ATOM 0 HE2 TYR A 99 8.608 -6.030 -0.163 1.00 13.41 H new ATOM 0 HH TYR A 99 9.492 -8.175 0.143 1.00 34.03 H new ATOM 1691 N GLU A 100 10.016 -4.450 6.014 1.00 24.12 N ATOM 1692 CA GLU A 100 10.567 -5.553 6.782 1.00 10.14 C ATOM 1693 C GLU A 100 9.905 -5.623 8.160 1.00 24.24 C ATOM 1694 O GLU A 100 10.184 -6.531 8.941 1.00 64.34 O ATOM 1695 CB GLU A 100 12.086 -5.427 6.910 1.00 52.12 C ATOM 1696 CG GLU A 100 12.477 -4.060 7.477 1.00 41.55 C ATOM 1697 CD GLU A 100 13.625 -4.192 8.480 1.00 3.21 C ATOM 1698 OE1 GLU A 100 13.422 -3.981 9.686 1.00 23.53 O ATOM 1699 OE2 GLU A 100 14.761 -4.527 7.968 1.00 74.24 O ATOM 0 H GLU A 100 10.612 -3.624 5.966 1.00 24.12 H new ATOM 0 HA GLU A 100 10.356 -6.481 6.251 1.00 10.14 H new ATOM 0 HB2 GLU A 100 12.467 -6.216 7.559 1.00 52.12 H new ATOM 0 HB3 GLU A 100 12.550 -5.566 5.933 1.00 52.12 H new ATOM 0 HG2 GLU A 100 12.773 -3.396 6.665 1.00 41.55 H new ATOM 0 HG3 GLU A 100 11.615 -3.604 7.963 1.00 41.55 H new ATOM 1707 N SER A 101 9.040 -4.653 8.415 1.00 23.43 N ATOM 1708 CA SER A 101 8.335 -4.593 9.685 1.00 33.22 C ATOM 1709 C SER A 101 6.851 -4.901 9.476 1.00 63.15 C ATOM 1710 O SER A 101 6.062 -4.838 10.417 1.00 0.10 O ATOM 1711 CB SER A 101 8.505 -3.223 10.345 1.00 23.11 C ATOM 1712 OG SER A 101 9.754 -3.107 11.022 1.00 11.13 O ATOM 0 H SER A 101 8.811 -3.902 7.764 1.00 23.43 H new ATOM 0 HA SER A 101 8.764 -5.343 10.350 1.00 33.22 H new ATOM 0 HB2 SER A 101 8.430 -2.444 9.587 1.00 23.11 H new ATOM 0 HB3 SER A 101 7.693 -3.058 11.053 1.00 23.11 H new ATOM 0 HG SER A 101 9.825 -2.218 11.428 1.00 11.13 H new ATOM 1718 N GLU A 102 6.517 -5.228 8.236 1.00 74.03 N ATOM 1719 CA GLU A 102 5.142 -5.546 7.890 1.00 73.55 C ATOM 1720 C GLU A 102 5.095 -6.763 6.964 1.00 44.54 C ATOM 1721 O GLU A 102 4.413 -7.744 7.255 1.00 34.43 O ATOM 1722 CB GLU A 102 4.445 -4.344 7.252 1.00 0.30 C ATOM 1723 CG GLU A 102 4.585 -3.098 8.130 1.00 75.10 C ATOM 1724 CD GLU A 102 3.515 -3.076 9.224 1.00 24.40 C ATOM 1725 OE1 GLU A 102 2.341 -2.797 8.937 1.00 30.04 O ATOM 1726 OE2 GLU A 102 3.939 -3.363 10.408 1.00 73.01 O ATOM 0 H GLU A 102 7.175 -5.280 7.458 1.00 74.03 H new ATOM 0 HA GLU A 102 4.605 -5.791 8.806 1.00 73.55 H new ATOM 0 HB2 GLU A 102 4.874 -4.150 6.269 1.00 0.30 H new ATOM 0 HB3 GLU A 102 3.389 -4.570 7.101 1.00 0.30 H new ATOM 0 HG2 GLU A 102 5.576 -3.078 8.584 1.00 75.10 H new ATOM 0 HG3 GLU A 102 4.499 -2.203 7.514 1.00 75.10 H new ATOM 1734 N ARG A 103 5.830 -6.659 5.866 1.00 73.01 N ATOM 1735 CA ARG A 103 5.881 -7.738 4.895 1.00 11.32 C ATOM 1736 C ARG A 103 5.797 -9.092 5.602 1.00 10.30 C ATOM 1737 O ARG A 103 6.223 -9.226 6.748 1.00 22.34 O ATOM 1738 CB ARG A 103 7.169 -7.679 4.073 1.00 73.24 C ATOM 1739 CG ARG A 103 8.361 -8.192 4.883 1.00 1.11 C ATOM 1740 CD ARG A 103 8.501 -9.710 4.752 1.00 64.23 C ATOM 1741 NE ARG A 103 9.929 -10.095 4.818 1.00 73.51 N ATOM 1742 CZ ARG A 103 10.370 -11.371 4.808 1.00 54.13 C ATOM 1743 NH1 ARG A 103 9.496 -12.397 4.733 1.00 40.42 N ATOM 1744 NH2 ARG A 103 11.669 -11.600 4.871 1.00 53.31 N ATOM 0 H ARG A 103 6.395 -5.844 5.628 1.00 73.01 H new ATOM 0 HA ARG A 103 5.030 -7.621 4.224 1.00 11.32 H new ATOM 0 HB2 ARG A 103 7.055 -8.277 3.169 1.00 73.24 H new ATOM 0 HB3 ARG A 103 7.355 -6.653 3.755 1.00 73.24 H new ATOM 0 HG2 ARG A 103 9.275 -7.708 4.538 1.00 1.11 H new ATOM 0 HG3 ARG A 103 8.235 -7.924 5.932 1.00 1.11 H new ATOM 0 HD2 ARG A 103 7.945 -10.205 5.549 1.00 64.23 H new ATOM 0 HD3 ARG A 103 8.069 -10.043 3.808 1.00 64.23 H new ATOM 0 HE ARG A 103 10.623 -9.350 4.875 1.00 73.51 H new ATOM 0 HH11 ARG A 103 8.494 -12.211 4.683 1.00 40.42 H new ATOM 0 HH12 ARG A 103 9.837 -13.358 4.726 1.00 40.42 H new ATOM 0 HH21 ARG A 103 12.322 -10.819 4.926 1.00 53.31 H new ATOM 0 HH22 ARG A 103 12.019 -12.558 4.865 1.00 53.31 H new ATOM 1757 N ASP A 104 5.244 -10.063 4.889 1.00 3.22 N ATOM 1758 CA ASP A 104 5.099 -11.402 5.433 1.00 24.23 C ATOM 1759 C ASP A 104 6.083 -12.342 4.735 1.00 52.11 C ATOM 1760 O ASP A 104 6.897 -11.903 3.923 1.00 14.33 O ATOM 1761 CB ASP A 104 3.686 -11.941 5.201 1.00 21.34 C ATOM 1762 CG ASP A 104 2.726 -11.765 6.380 1.00 33.24 C ATOM 1763 OD1 ASP A 104 2.435 -12.721 7.114 1.00 13.53 O ATOM 1764 OD2 ASP A 104 2.263 -10.571 6.533 1.00 12.42 O ATOM 0 H ASP A 104 4.891 -9.948 3.939 1.00 3.22 H new ATOM 0 HA ASP A 104 5.296 -11.353 6.504 1.00 24.23 H new ATOM 0 HB2 ASP A 104 3.262 -11.443 4.329 1.00 21.34 H new ATOM 0 HB3 ASP A 104 3.753 -13.002 4.961 1.00 21.34 H new ATOM 1770 N GLU A 105 5.977 -13.619 5.075 1.00 4.45 N ATOM 1771 CA GLU A 105 6.849 -14.623 4.490 1.00 23.41 C ATOM 1772 C GLU A 105 6.926 -14.441 2.974 1.00 43.50 C ATOM 1773 O GLU A 105 7.992 -14.599 2.379 1.00 71.12 O ATOM 1774 CB GLU A 105 6.376 -16.034 4.850 1.00 74.25 C ATOM 1775 CG GLU A 105 6.452 -16.270 6.360 1.00 61.33 C ATOM 1776 CD GLU A 105 5.110 -15.967 7.030 1.00 54.43 C ATOM 1777 OE1 GLU A 105 4.145 -15.595 6.345 1.00 41.24 O ATOM 1778 OE2 GLU A 105 5.089 -16.131 8.309 1.00 31.11 O ATOM 0 H GLU A 105 5.301 -13.981 5.748 1.00 4.45 H new ATOM 0 HA GLU A 105 7.850 -14.493 4.902 1.00 23.41 H new ATOM 0 HB2 GLU A 105 5.351 -16.176 4.507 1.00 74.25 H new ATOM 0 HB3 GLU A 105 6.990 -16.770 4.332 1.00 74.25 H new ATOM 0 HG2 GLU A 105 6.735 -17.304 6.556 1.00 61.33 H new ATOM 0 HG3 GLU A 105 7.229 -15.639 6.792 1.00 61.33 H new ATOM 1786 N ASP A 106 5.783 -14.111 2.389 1.00 14.21 N ATOM 1787 CA ASP A 106 5.709 -13.906 0.953 1.00 71.01 C ATOM 1788 C ASP A 106 6.805 -12.927 0.525 1.00 12.41 C ATOM 1789 O ASP A 106 7.560 -13.204 -0.406 1.00 41.35 O ATOM 1790 CB ASP A 106 4.359 -13.309 0.552 1.00 4.22 C ATOM 1791 CG ASP A 106 3.725 -12.384 1.594 1.00 72.31 C ATOM 1792 OD1 ASP A 106 3.144 -12.846 2.588 1.00 41.53 O ATOM 1793 OD2 ASP A 106 3.847 -11.123 1.350 1.00 55.23 O ATOM 0 H ASP A 106 4.901 -13.981 2.884 1.00 14.21 H new ATOM 0 HA ASP A 106 5.835 -14.873 0.467 1.00 71.01 H new ATOM 0 HB2 ASP A 106 4.486 -12.752 -0.376 1.00 4.22 H new ATOM 0 HB3 ASP A 106 3.666 -14.124 0.342 1.00 4.22 H new ATOM 1799 N GLY A 107 6.858 -11.804 1.225 1.00 33.44 N ATOM 1800 CA GLY A 107 7.848 -10.783 0.929 1.00 23.13 C ATOM 1801 C GLY A 107 7.227 -9.628 0.141 1.00 31.21 C ATOM 1802 O GLY A 107 7.940 -8.836 -0.472 1.00 13.31 O ATOM 0 H GLY A 107 6.231 -11.578 1.997 1.00 33.44 H new ATOM 0 HA2 GLY A 107 8.275 -10.406 1.858 1.00 23.13 H new ATOM 0 HA3 GLY A 107 8.666 -11.220 0.356 1.00 23.13 H new ATOM 1806 N PHE A 108 5.904 -9.569 0.182 1.00 52.33 N ATOM 1807 CA PHE A 108 5.179 -8.525 -0.521 1.00 14.14 C ATOM 1808 C PHE A 108 4.370 -7.668 0.454 1.00 21.33 C ATOM 1809 O PHE A 108 3.705 -8.195 1.345 1.00 22.32 O ATOM 1810 CB PHE A 108 4.218 -9.220 -1.488 1.00 51.42 C ATOM 1811 CG PHE A 108 4.346 -8.748 -2.938 1.00 70.41 C ATOM 1812 CD1 PHE A 108 4.674 -7.457 -3.207 1.00 14.11 C ATOM 1813 CD2 PHE A 108 4.131 -9.621 -3.959 1.00 32.51 C ATOM 1814 CE1 PHE A 108 4.792 -7.019 -4.552 1.00 54.21 C ATOM 1815 CE2 PHE A 108 4.249 -9.184 -5.304 1.00 73.31 C ATOM 1816 CZ PHE A 108 4.577 -7.892 -5.572 1.00 4.21 C ATOM 0 H PHE A 108 5.315 -10.228 0.692 1.00 52.33 H new ATOM 0 HA PHE A 108 5.879 -7.873 -1.042 1.00 14.14 H new ATOM 0 HB2 PHE A 108 4.394 -10.295 -1.450 1.00 51.42 H new ATOM 0 HB3 PHE A 108 3.195 -9.052 -1.151 1.00 51.42 H new ATOM 0 HD1 PHE A 108 4.845 -6.764 -2.397 1.00 14.11 H new ATOM 0 HD2 PHE A 108 3.870 -10.647 -3.746 1.00 32.51 H new ATOM 0 HE1 PHE A 108 5.052 -5.993 -4.765 1.00 54.21 H new ATOM 0 HE2 PHE A 108 4.078 -9.877 -6.114 1.00 73.31 H new ATOM 0 HZ PHE A 108 4.667 -7.559 -6.595 1.00 4.21 H new ATOM 1826 N LEU A 109 4.453 -6.361 0.253 1.00 21.41 N ATOM 1827 CA LEU A 109 3.737 -5.426 1.104 1.00 35.21 C ATOM 1828 C LEU A 109 2.267 -5.383 0.682 1.00 20.13 C ATOM 1829 O LEU A 109 1.957 -5.412 -0.508 1.00 53.12 O ATOM 1830 CB LEU A 109 4.421 -4.058 1.090 1.00 71.00 C ATOM 1831 CG LEU A 109 5.252 -3.711 2.328 1.00 51.53 C ATOM 1832 CD1 LEU A 109 4.386 -3.046 3.401 1.00 10.31 C ATOM 1833 CD2 LEU A 109 5.981 -4.946 2.862 1.00 53.35 C ATOM 0 H LEU A 109 5.005 -5.927 -0.487 1.00 21.41 H new ATOM 0 HA LEU A 109 3.762 -5.759 2.142 1.00 35.21 H new ATOM 0 HB2 LEU A 109 5.070 -4.007 0.215 1.00 71.00 H new ATOM 0 HB3 LEU A 109 3.656 -3.292 0.964 1.00 71.00 H new ATOM 0 HG LEU A 109 6.014 -2.988 2.037 1.00 51.53 H new ATOM 0 HD11 LEU A 109 5.001 -2.810 4.270 1.00 10.31 H new ATOM 0 HD12 LEU A 109 3.953 -2.128 3.002 1.00 10.31 H new ATOM 0 HD13 LEU A 109 3.587 -3.726 3.696 1.00 10.31 H new ATOM 0 HD21 LEU A 109 6.564 -4.672 3.741 1.00 53.35 H new ATOM 0 HD22 LEU A 109 5.252 -5.710 3.133 1.00 53.35 H new ATOM 0 HD23 LEU A 109 6.647 -5.337 2.092 1.00 53.35 H new ATOM 1845 N TYR A 110 1.399 -5.314 1.682 1.00 30.44 N ATOM 1846 CA TYR A 110 -0.031 -5.267 1.429 1.00 32.34 C ATOM 1847 C TYR A 110 -0.674 -4.076 2.143 1.00 41.52 C ATOM 1848 O TYR A 110 -0.795 -4.073 3.367 1.00 5.21 O ATOM 1849 CB TYR A 110 -0.604 -6.563 2.006 1.00 11.21 C ATOM 1850 CG TYR A 110 0.052 -7.831 1.458 1.00 75.11 C ATOM 1851 CD1 TYR A 110 -0.092 -8.164 0.127 1.00 40.13 C ATOM 1852 CD2 TYR A 110 0.791 -8.643 2.296 1.00 65.35 C ATOM 1853 CE1 TYR A 110 0.526 -9.358 -0.388 1.00 12.12 C ATOM 1854 CE2 TYR A 110 1.408 -9.837 1.781 1.00 23.30 C ATOM 1855 CZ TYR A 110 1.246 -10.136 0.464 1.00 64.21 C ATOM 1856 OH TYR A 110 1.829 -11.263 -0.023 1.00 75.44 O ATOM 0 H TYR A 110 1.659 -5.290 2.668 1.00 30.44 H new ATOM 0 HA TYR A 110 -0.230 -5.161 0.362 1.00 32.34 H new ATOM 0 HB2 TYR A 110 -0.491 -6.547 3.090 1.00 11.21 H new ATOM 0 HB3 TYR A 110 -1.673 -6.600 1.797 1.00 11.21 H new ATOM 0 HD1 TYR A 110 -0.669 -7.529 -0.529 1.00 40.13 H new ATOM 0 HD2 TYR A 110 0.906 -8.382 3.338 1.00 65.35 H new ATOM 0 HE1 TYR A 110 0.420 -9.630 -1.428 1.00 12.12 H new ATOM 0 HE2 TYR A 110 1.987 -10.481 2.426 1.00 23.30 H new ATOM 0 HH TYR A 110 2.797 -11.127 -0.093 1.00 75.44 H new ATOM 1866 N MET A 111 -1.070 -3.093 1.348 1.00 11.54 N ATOM 1867 CA MET A 111 -1.698 -1.900 1.889 1.00 54.55 C ATOM 1868 C MET A 111 -3.002 -1.585 1.154 1.00 15.42 C ATOM 1869 O MET A 111 -3.062 -1.662 -0.072 1.00 64.01 O ATOM 1870 CB MET A 111 -0.739 -0.714 1.757 1.00 60.14 C ATOM 1871 CG MET A 111 0.713 -1.162 1.925 1.00 4.13 C ATOM 1872 SD MET A 111 1.540 -1.161 0.344 1.00 11.21 S ATOM 1873 CE MET A 111 3.137 -0.527 0.829 1.00 41.54 C ATOM 0 H MET A 111 -0.968 -3.098 0.333 1.00 11.54 H new ATOM 0 HA MET A 111 -1.929 -2.078 2.939 1.00 54.55 H new ATOM 0 HB2 MET A 111 -0.868 -0.244 0.782 1.00 60.14 H new ATOM 0 HB3 MET A 111 -0.980 0.039 2.508 1.00 60.14 H new ATOM 0 HG2 MET A 111 1.230 -0.496 2.615 1.00 4.13 H new ATOM 0 HG3 MET A 111 0.746 -2.160 2.361 1.00 4.13 H new ATOM 0 HE1 MET A 111 3.497 0.169 0.072 1.00 41.54 H new ATOM 0 HE2 MET A 111 3.048 -0.010 1.785 1.00 41.54 H new ATOM 0 HE3 MET A 111 3.842 -1.353 0.927 1.00 41.54 H new ATOM 1883 N VAL A 112 -4.015 -1.239 1.934 1.00 22.04 N ATOM 1884 CA VAL A 112 -5.316 -0.912 1.373 1.00 51.41 C ATOM 1885 C VAL A 112 -5.547 0.596 1.476 1.00 34.21 C ATOM 1886 O VAL A 112 -5.355 1.186 2.537 1.00 73.33 O ATOM 1887 CB VAL A 112 -6.405 -1.733 2.066 1.00 73.25 C ATOM 1888 CG1 VAL A 112 -7.762 -1.033 1.971 1.00 50.42 C ATOM 1889 CG2 VAL A 112 -6.476 -3.149 1.491 1.00 14.04 C ATOM 0 H VAL A 112 -3.962 -1.178 2.951 1.00 22.04 H new ATOM 0 HA VAL A 112 -5.353 -1.174 0.316 1.00 51.41 H new ATOM 0 HB VAL A 112 -6.143 -1.814 3.121 1.00 73.25 H new ATOM 0 HG11 VAL A 112 -8.519 -1.637 2.471 1.00 50.42 H new ATOM 0 HG12 VAL A 112 -7.702 -0.056 2.451 1.00 50.42 H new ATOM 0 HG13 VAL A 112 -8.033 -0.906 0.923 1.00 50.42 H new ATOM 0 HG21 VAL A 112 -7.258 -3.710 2.002 1.00 14.04 H new ATOM 0 HG22 VAL A 112 -6.702 -3.098 0.426 1.00 14.04 H new ATOM 0 HG23 VAL A 112 -5.518 -3.649 1.635 1.00 14.04 H new ATOM 1899 N TYR A 113 -5.956 1.177 0.358 1.00 40.11 N ATOM 1900 CA TYR A 113 -6.216 2.606 0.308 1.00 64.13 C ATOM 1901 C TYR A 113 -7.719 2.890 0.292 1.00 45.34 C ATOM 1902 O TYR A 113 -8.517 2.010 -0.028 1.00 34.33 O ATOM 1903 CB TYR A 113 -5.600 3.101 -1.002 1.00 30.31 C ATOM 1904 CG TYR A 113 -6.457 2.818 -2.237 1.00 22.44 C ATOM 1905 CD1 TYR A 113 -7.652 3.485 -2.416 1.00 73.00 C ATOM 1906 CD2 TYR A 113 -6.036 1.895 -3.173 1.00 33.02 C ATOM 1907 CE1 TYR A 113 -8.459 3.218 -3.579 1.00 24.44 C ATOM 1908 CE2 TYR A 113 -6.842 1.628 -4.336 1.00 63.43 C ATOM 1909 CZ TYR A 113 -8.014 2.303 -4.481 1.00 23.23 C ATOM 1910 OH TYR A 113 -8.775 2.051 -5.580 1.00 43.21 O ATOM 0 H TYR A 113 -6.114 0.684 -0.521 1.00 40.11 H new ATOM 0 HA TYR A 113 -5.795 3.104 1.182 1.00 64.13 H new ATOM 0 HB2 TYR A 113 -5.430 4.175 -0.929 1.00 30.31 H new ATOM 0 HB3 TYR A 113 -4.625 2.632 -1.133 1.00 30.31 H new ATOM 0 HD1 TYR A 113 -7.982 4.207 -1.684 1.00 73.00 H new ATOM 0 HD2 TYR A 113 -5.101 1.373 -3.033 1.00 33.02 H new ATOM 0 HE1 TYR A 113 -9.396 3.733 -3.731 1.00 24.44 H new ATOM 0 HE2 TYR A 113 -6.523 0.909 -5.076 1.00 63.43 H new ATOM 0 HH TYR A 113 -8.517 2.660 -6.303 1.00 43.21 H new ATOM 1920 N ALA A 114 -8.059 4.121 0.640 1.00 13.04 N ATOM 1921 CA ALA A 114 -9.452 4.533 0.670 1.00 1.44 C ATOM 1922 C ALA A 114 -9.537 6.003 1.083 1.00 2.12 C ATOM 1923 O ALA A 114 -8.550 6.585 1.528 1.00 24.00 O ATOM 1924 CB ALA A 114 -10.236 3.616 1.611 1.00 12.02 C ATOM 0 H ALA A 114 -7.394 4.848 0.904 1.00 13.04 H new ATOM 0 HA ALA A 114 -9.899 4.443 -0.320 1.00 1.44 H new ATOM 0 HB1 ALA A 114 -11.281 3.925 1.633 1.00 12.02 H new ATOM 0 HB2 ALA A 114 -10.169 2.588 1.256 1.00 12.02 H new ATOM 0 HB3 ALA A 114 -9.817 3.681 2.615 1.00 12.02 H new ATOM 1930 N SER A 115 -10.728 6.563 0.920 1.00 54.31 N ATOM 1931 CA SER A 115 -10.954 7.954 1.272 1.00 61.52 C ATOM 1932 C SER A 115 -11.385 8.062 2.735 1.00 53.55 C ATOM 1933 O SER A 115 -11.996 9.051 3.136 1.00 63.34 O ATOM 1934 CB SER A 115 -12.008 8.588 0.361 1.00 1.23 C ATOM 1935 OG SER A 115 -12.495 9.821 0.884 1.00 60.44 O ATOM 0 H SER A 115 -11.545 6.078 0.549 1.00 54.31 H new ATOM 0 HA SER A 115 -10.019 8.497 1.135 1.00 61.52 H new ATOM 0 HB2 SER A 115 -11.579 8.758 -0.626 1.00 1.23 H new ATOM 0 HB3 SER A 115 -12.840 7.895 0.232 1.00 1.23 H new ATOM 0 HG SER A 115 -12.940 9.659 1.742 1.00 60.44 H new ATOM 1941 N GLN A 116 -11.048 7.029 3.495 1.00 43.31 N ATOM 1942 CA GLN A 116 -11.392 6.995 4.907 1.00 53.23 C ATOM 1943 C GLN A 116 -10.298 6.281 5.702 1.00 50.42 C ATOM 1944 O GLN A 116 -10.018 5.106 5.465 1.00 70.45 O ATOM 1945 CB GLN A 116 -12.751 6.328 5.123 1.00 2.11 C ATOM 1946 CG GLN A 116 -13.848 7.374 5.333 1.00 21.34 C ATOM 1947 CD GLN A 116 -15.237 6.738 5.242 1.00 22.22 C ATOM 1948 OE1 GLN A 116 -15.909 6.795 4.226 1.00 62.34 O ATOM 1949 NE2 GLN A 116 -15.628 6.131 6.359 1.00 55.11 N ATOM 0 H GLN A 116 -10.541 6.210 3.160 1.00 43.31 H new ATOM 0 HA GLN A 116 -11.466 8.021 5.269 1.00 53.23 H new ATOM 0 HB2 GLN A 116 -12.996 5.707 4.262 1.00 2.11 H new ATOM 0 HB3 GLN A 116 -12.703 5.668 5.989 1.00 2.11 H new ATOM 0 HG2 GLN A 116 -13.723 7.846 6.308 1.00 21.34 H new ATOM 0 HG3 GLN A 116 -13.754 8.160 4.584 1.00 21.34 H new ATOM 0 HE21 GLN A 116 -15.016 6.120 7.175 1.00 55.11 H new ATOM 0 HE22 GLN A 116 -16.540 5.676 6.400 1.00 55.11 H new ATOM 1958 N GLU A 117 -9.706 7.021 6.629 1.00 13.30 N ATOM 1959 CA GLU A 117 -8.648 6.472 7.461 1.00 34.21 C ATOM 1960 C GLU A 117 -9.165 6.219 8.879 1.00 42.32 C ATOM 1961 O GLU A 117 -8.464 5.635 9.703 1.00 54.41 O ATOM 1962 CB GLU A 117 -7.429 7.397 7.479 1.00 4.33 C ATOM 1963 CG GLU A 117 -6.642 7.241 8.780 1.00 44.23 C ATOM 1964 CD GLU A 117 -5.334 8.033 8.727 1.00 34.21 C ATOM 1965 OE1 GLU A 117 -4.731 8.163 7.652 1.00 13.12 O ATOM 1966 OE2 GLU A 117 -4.948 8.523 9.856 1.00 14.44 O ATOM 0 H GLU A 117 -9.939 7.995 6.822 1.00 13.30 H new ATOM 0 HA GLU A 117 -8.334 5.519 7.034 1.00 34.21 H new ATOM 0 HB2 GLU A 117 -6.784 7.171 6.630 1.00 4.33 H new ATOM 0 HB3 GLU A 117 -7.752 8.432 7.367 1.00 4.33 H new ATOM 0 HG2 GLU A 117 -7.247 7.586 9.619 1.00 44.23 H new ATOM 0 HG3 GLU A 117 -6.426 6.187 8.955 1.00 44.23 H new ATOM 1974 N THR A 118 -10.387 6.672 9.119 1.00 32.30 N ATOM 1975 CA THR A 118 -11.006 6.502 10.422 1.00 34.24 C ATOM 1976 C THR A 118 -12.431 5.967 10.270 1.00 33.31 C ATOM 1977 O THR A 118 -13.383 6.577 10.755 1.00 43.32 O ATOM 1978 CB THR A 118 -10.935 7.842 11.157 1.00 61.45 C ATOM 1979 OG1 THR A 118 -11.465 8.779 10.223 1.00 2.53 O ATOM 1980 CG2 THR A 118 -9.497 8.312 11.381 1.00 11.22 C ATOM 0 H THR A 118 -10.965 7.157 8.432 1.00 32.30 H new ATOM 0 HA THR A 118 -10.476 5.759 11.018 1.00 34.24 H new ATOM 0 HB THR A 118 -11.442 7.756 12.118 1.00 61.45 H new ATOM 0 HG1 THR A 118 -11.458 9.675 10.619 1.00 2.53 H new ATOM 0 HG21 THR A 118 -9.504 9.267 11.906 1.00 11.22 H new ATOM 0 HG22 THR A 118 -8.962 7.574 11.978 1.00 11.22 H new ATOM 0 HG23 THR A 118 -8.999 8.431 10.419 1.00 11.22 H new ATOM 2085 N ASP B 337 8.250 -6.123 -15.157 1.00 34.41 N ATOM 2086 CA ASP B 337 8.588 -5.097 -14.185 1.00 41.12 C ATOM 2087 C ASP B 337 7.324 -4.325 -13.804 1.00 44.23 C ATOM 2088 O ASP B 337 6.419 -4.166 -14.621 1.00 22.34 O ATOM 2089 CB ASP B 337 9.595 -4.100 -14.764 1.00 74.41 C ATOM 2090 CG ASP B 337 10.559 -3.490 -13.745 1.00 74.24 C ATOM 2091 OD1 ASP B 337 10.285 -3.475 -12.535 1.00 11.21 O ATOM 2092 OD2 ASP B 337 11.648 -3.011 -14.244 1.00 24.22 O ATOM 0 HA ASP B 337 9.025 -5.587 -13.315 1.00 41.12 H new ATOM 0 HB2 ASP B 337 10.177 -4.602 -15.537 1.00 74.41 H new ATOM 0 HB3 ASP B 337 9.046 -3.294 -15.251 1.00 74.41 H new ATOM 2098 N TRP B 338 7.302 -3.865 -12.562 1.00 31.21 N ATOM 2099 CA TRP B 338 6.163 -3.113 -12.062 1.00 33.50 C ATOM 2100 C TRP B 338 6.382 -1.638 -12.408 1.00 43.13 C ATOM 2101 O TRP B 338 7.077 -1.320 -13.372 1.00 24.04 O ATOM 2102 CB TRP B 338 5.963 -3.351 -10.564 1.00 13.13 C ATOM 2103 CG TRP B 338 6.279 -4.779 -10.114 1.00 73.14 C ATOM 2104 CD1 TRP B 338 6.458 -5.865 -10.878 1.00 63.32 C ATOM 2105 CD2 TRP B 338 6.447 -5.234 -8.755 1.00 60.44 C ATOM 2106 NE1 TRP B 338 6.728 -6.983 -10.115 1.00 24.21 N ATOM 2107 CE2 TRP B 338 6.722 -6.587 -8.783 1.00 21.50 C ATOM 2108 CE3 TRP B 338 6.371 -4.527 -7.542 1.00 41.01 C ATOM 2109 CZ2 TRP B 338 6.941 -7.349 -7.628 1.00 13.12 C ATOM 2110 CZ3 TRP B 338 6.593 -5.304 -6.398 1.00 42.51 C ATOM 2111 CH2 TRP B 338 6.870 -6.666 -6.409 1.00 22.23 C ATOM 0 H TRP B 338 8.055 -3.998 -11.887 1.00 31.21 H new ATOM 0 HA TRP B 338 5.241 -3.450 -12.536 1.00 33.50 H new ATOM 0 HB2 TRP B 338 6.595 -2.658 -10.009 1.00 13.13 H new ATOM 0 HB3 TRP B 338 4.930 -3.119 -10.304 1.00 13.13 H new ATOM 0 HD1 TRP B 338 6.398 -5.866 -11.956 1.00 63.32 H new ATOM 0 HE1 TRP B 338 6.900 -7.926 -10.464 1.00 24.21 H new ATOM 0 HE3 TRP B 338 6.158 -3.469 -7.496 1.00 41.01 H new ATOM 0 HZ2 TRP B 338 7.153 -8.407 -7.676 1.00 13.12 H new ATOM 0 HZ3 TRP B 338 6.546 -4.810 -5.439 1.00 42.51 H new ATOM 0 HH2 TRP B 338 7.030 -7.195 -5.481 1.00 22.23 H new ATOM 2122 N THR B 339 5.776 -0.779 -11.603 1.00 11.15 N ATOM 2123 CA THR B 339 5.895 0.655 -11.812 1.00 63.24 C ATOM 2124 C THR B 339 7.020 1.228 -10.948 1.00 75.25 C ATOM 2125 O THR B 339 7.421 0.616 -9.958 1.00 55.55 O ATOM 2126 CB THR B 339 4.531 1.288 -11.533 1.00 43.14 C ATOM 2127 OG1 THR B 339 4.385 2.264 -12.562 1.00 20.42 O ATOM 2128 CG2 THR B 339 4.518 2.105 -10.240 1.00 73.05 C ATOM 0 H THR B 339 5.201 -1.047 -10.805 1.00 11.15 H new ATOM 0 HA THR B 339 6.170 0.884 -12.842 1.00 63.24 H new ATOM 0 HB THR B 339 3.773 0.507 -11.476 1.00 43.14 H new ATOM 0 HG1 THR B 339 3.712 2.924 -12.294 1.00 20.42 H new ATOM 0 HG21 THR B 339 3.527 2.532 -10.090 1.00 73.05 H new ATOM 0 HG22 THR B 339 4.766 1.458 -9.398 1.00 73.05 H new ATOM 0 HG23 THR B 339 5.252 2.908 -10.309 1.00 73.05 H new ATOM 2136 N HIS B 340 7.497 2.395 -11.352 1.00 23.10 N ATOM 2137 CA HIS B 340 8.567 3.058 -10.627 1.00 53.35 C ATOM 2138 C HIS B 340 8.021 4.308 -9.933 1.00 55.35 C ATOM 2139 O HIS B 340 7.369 5.138 -10.566 1.00 75.31 O ATOM 2140 CB HIS B 340 9.745 3.361 -11.554 1.00 52.13 C ATOM 2141 CG HIS B 340 9.368 3.462 -13.012 1.00 4.34 C ATOM 2142 ND1 HIS B 340 9.521 2.410 -13.900 1.00 2.03 N ATOM 2143 CD2 HIS B 340 8.845 4.497 -13.729 1.00 35.32 C ATOM 2144 CE1 HIS B 340 9.105 2.807 -15.093 1.00 52.42 C ATOM 2145 NE2 HIS B 340 8.687 4.101 -14.985 1.00 32.50 N ATOM 0 H HIS B 340 7.162 2.899 -12.173 1.00 23.10 H new ATOM 0 HA HIS B 340 8.951 2.394 -9.852 1.00 53.35 H new ATOM 0 HB2 HIS B 340 10.207 4.298 -11.243 1.00 52.13 H new ATOM 0 HB3 HIS B 340 10.497 2.580 -11.437 1.00 52.13 H new ATOM 0 HD2 HIS B 340 8.601 5.474 -13.340 1.00 35.32 H new ATOM 0 HE1 HIS B 340 9.098 2.211 -15.993 1.00 52.42 H new ATOM 0 HE2 HIS B 340 8.314 4.670 -15.745 1.00 32.50 H new ATOM 2153 N LEU B 341 8.306 4.404 -8.644 1.00 42.45 N ATOM 2154 CA LEU B 341 7.852 5.539 -7.858 1.00 42.21 C ATOM 2155 C LEU B 341 8.988 6.557 -7.735 1.00 60.12 C ATOM 2156 O LEU B 341 10.073 6.227 -7.260 1.00 1.40 O ATOM 2157 CB LEU B 341 7.298 5.071 -6.512 1.00 45.14 C ATOM 2158 CG LEU B 341 5.973 4.306 -6.560 1.00 73.23 C ATOM 2159 CD1 LEU B 341 5.041 4.750 -5.433 1.00 65.35 C ATOM 2160 CD2 LEU B 341 5.314 4.438 -7.935 1.00 55.44 C ATOM 0 H LEU B 341 8.846 3.714 -8.123 1.00 42.45 H new ATOM 0 HA LEU B 341 7.025 6.043 -8.359 1.00 42.21 H new ATOM 0 HB2 LEU B 341 8.044 4.435 -6.036 1.00 45.14 H new ATOM 0 HB3 LEU B 341 7.168 5.944 -5.872 1.00 45.14 H new ATOM 0 HG LEU B 341 6.184 3.248 -6.403 1.00 73.23 H new ATOM 0 HD11 LEU B 341 4.107 4.190 -5.491 1.00 65.35 H new ATOM 0 HD12 LEU B 341 5.518 4.561 -4.471 1.00 65.35 H new ATOM 0 HD13 LEU B 341 4.832 5.815 -5.532 1.00 65.35 H new ATOM 0 HD21 LEU B 341 4.374 3.886 -7.943 1.00 55.44 H new ATOM 0 HD22 LEU B 341 5.118 5.489 -8.145 1.00 55.44 H new ATOM 0 HD23 LEU B 341 5.979 4.033 -8.698 1.00 55.44 H new ATOM 2172 N SER B 342 8.700 7.773 -8.173 1.00 53.43 N ATOM 2173 CA SER B 342 9.683 8.841 -8.118 1.00 62.22 C ATOM 2174 C SER B 342 9.178 9.972 -7.219 1.00 15.10 C ATOM 2175 O SER B 342 8.001 10.326 -7.263 1.00 21.54 O ATOM 2176 CB SER B 342 9.996 9.375 -9.517 1.00 33.03 C ATOM 2177 OG SER B 342 9.784 8.388 -10.524 1.00 21.10 O ATOM 0 H SER B 342 7.799 8.043 -8.568 1.00 53.43 H new ATOM 0 HA SER B 342 10.604 8.436 -7.699 1.00 62.22 H new ATOM 0 HB2 SER B 342 9.370 10.243 -9.722 1.00 33.03 H new ATOM 0 HB3 SER B 342 11.032 9.713 -9.553 1.00 33.03 H new ATOM 0 HG SER B 342 9.993 8.767 -11.403 1.00 21.10 H new ATOM 2183 N SER B 343 10.094 10.508 -6.426 1.00 0.25 N ATOM 2184 CA SER B 343 9.756 11.591 -5.519 1.00 53.03 C ATOM 2185 C SER B 343 10.169 12.932 -6.128 1.00 5.52 C ATOM 2186 O SER B 343 10.389 13.905 -5.407 1.00 30.55 O ATOM 2187 CB SER B 343 10.427 11.398 -4.157 1.00 24.32 C ATOM 2188 OG SER B 343 10.646 10.022 -3.860 1.00 14.53 O ATOM 0 H SER B 343 11.070 10.212 -6.393 1.00 0.25 H new ATOM 0 HA SER B 343 8.677 11.585 -5.367 1.00 53.03 H new ATOM 0 HB2 SER B 343 11.380 11.928 -4.144 1.00 24.32 H new ATOM 0 HB3 SER B 343 9.805 11.842 -3.380 1.00 24.32 H new ATOM 0 HG SER B 343 10.454 9.857 -2.913 1.00 14.53 H new ATOM 2194 N LYS B 344 10.262 12.941 -7.449 1.00 41.31 N ATOM 2195 CA LYS B 344 10.644 14.147 -8.165 1.00 25.42 C ATOM 2196 C LYS B 344 9.449 14.656 -8.973 1.00 71.41 C ATOM 2197 O LYS B 344 9.295 15.861 -9.168 1.00 5.30 O ATOM 2198 CB LYS B 344 11.896 13.896 -9.008 1.00 31.02 C ATOM 2199 CG LYS B 344 11.937 12.451 -9.512 1.00 5.42 C ATOM 2200 CD LYS B 344 12.599 11.531 -8.483 1.00 64.43 C ATOM 2201 CE LYS B 344 13.967 12.073 -8.064 1.00 14.43 C ATOM 2202 NZ LYS B 344 14.827 10.978 -7.564 1.00 22.20 N ATOM 0 H LYS B 344 10.079 12.132 -8.043 1.00 41.31 H new ATOM 0 HA LYS B 344 10.914 14.937 -7.464 1.00 25.42 H new ATOM 0 HB2 LYS B 344 11.912 14.581 -9.856 1.00 31.02 H new ATOM 0 HB3 LYS B 344 12.786 14.103 -8.414 1.00 31.02 H new ATOM 0 HG2 LYS B 344 10.924 12.104 -9.717 1.00 5.42 H new ATOM 0 HG3 LYS B 344 12.486 12.405 -10.453 1.00 5.42 H new ATOM 0 HD2 LYS B 344 11.957 11.437 -7.607 1.00 64.43 H new ATOM 0 HD3 LYS B 344 12.713 10.532 -8.903 1.00 64.43 H new ATOM 0 HE2 LYS B 344 14.447 12.562 -8.912 1.00 14.43 H new ATOM 0 HE3 LYS B 344 13.843 12.829 -7.289 1.00 14.43 H new ATOM 0 HZ1 LYS B 344 15.752 11.363 -7.284 1.00 22.20 H new ATOM 0 HZ2 LYS B 344 14.375 10.530 -6.742 1.00 22.20 H new ATOM 0 HZ3 LYS B 344 14.960 10.270 -8.315 1.00 22.20 H new ATOM 2215 N GLU B 345 8.634 13.713 -9.422 1.00 53.15 N ATOM 2216 CA GLU B 345 7.457 14.051 -10.205 1.00 4.44 C ATOM 2217 C GLU B 345 6.320 14.503 -9.286 1.00 23.22 C ATOM 2218 O GLU B 345 5.307 15.020 -9.755 1.00 21.12 O ATOM 2219 CB GLU B 345 7.021 12.872 -11.076 1.00 53.02 C ATOM 2220 CG GLU B 345 8.235 12.117 -11.624 1.00 14.22 C ATOM 2221 CD GLU B 345 8.124 11.925 -13.138 1.00 0.42 C ATOM 2222 OE1 GLU B 345 7.453 10.988 -13.597 1.00 61.52 O ATOM 2223 OE2 GLU B 345 8.766 12.792 -13.845 1.00 24.43 O ATOM 0 H GLU B 345 8.765 12.715 -9.259 1.00 53.15 H new ATOM 0 HA GLU B 345 7.712 14.877 -10.869 1.00 4.44 H new ATOM 0 HB2 GLU B 345 6.400 12.194 -10.491 1.00 53.02 H new ATOM 0 HB3 GLU B 345 6.409 13.233 -11.903 1.00 53.02 H new ATOM 0 HG2 GLU B 345 9.146 12.667 -11.390 1.00 14.22 H new ATOM 0 HG3 GLU B 345 8.315 11.146 -11.136 1.00 14.22 H new ATOM 2231 N VAL B 346 6.527 14.293 -7.994 1.00 4.42 N ATOM 2232 CA VAL B 346 5.532 14.672 -7.006 1.00 33.24 C ATOM 2233 C VAL B 346 5.382 16.195 -6.999 1.00 64.22 C ATOM 2234 O VAL B 346 6.109 16.898 -7.699 1.00 4.44 O ATOM 2235 CB VAL B 346 5.910 14.104 -5.637 1.00 73.12 C ATOM 2236 CG1 VAL B 346 6.106 12.587 -5.709 1.00 34.11 C ATOM 2237 CG2 VAL B 346 7.159 14.792 -5.083 1.00 13.23 C ATOM 0 H VAL B 346 7.369 13.865 -7.609 1.00 4.42 H new ATOM 0 HA VAL B 346 4.560 14.249 -7.262 1.00 33.24 H new ATOM 0 HB VAL B 346 5.086 14.304 -4.952 1.00 73.12 H new ATOM 0 HG11 VAL B 346 6.374 12.208 -4.723 1.00 34.11 H new ATOM 0 HG12 VAL B 346 5.180 12.116 -6.040 1.00 34.11 H new ATOM 0 HG13 VAL B 346 6.903 12.356 -6.416 1.00 34.11 H new ATOM 0 HG21 VAL B 346 7.406 14.369 -4.109 1.00 13.23 H new ATOM 0 HG22 VAL B 346 7.993 14.638 -5.767 1.00 13.23 H new ATOM 0 HG23 VAL B 346 6.969 15.860 -4.977 1.00 13.23 H new ATOM 2247 N ASP B 347 4.432 16.661 -6.200 1.00 64.45 N ATOM 2248 CA ASP B 347 4.177 18.087 -6.093 1.00 13.23 C ATOM 2249 C ASP B 347 5.040 18.673 -4.974 1.00 41.10 C ATOM 2250 O ASP B 347 4.932 18.260 -3.820 1.00 60.02 O ATOM 2251 CB ASP B 347 2.710 18.360 -5.751 1.00 11.14 C ATOM 2252 CG ASP B 347 2.327 19.840 -5.680 1.00 55.41 C ATOM 2253 OD1 ASP B 347 1.658 20.369 -6.580 1.00 44.22 O ATOM 2254 OD2 ASP B 347 2.751 20.463 -4.635 1.00 54.24 O ATOM 0 H ASP B 347 3.830 16.076 -5.621 1.00 64.45 H new ATOM 0 HA ASP B 347 4.415 18.545 -7.053 1.00 13.23 H new ATOM 0 HB2 ASP B 347 2.082 17.873 -6.497 1.00 11.14 H new ATOM 0 HB3 ASP B 347 2.484 17.895 -4.791 1.00 11.14 H new