USER MOD reduce.3.24.130724 H: found=0, std=0, add=971, rem=0, adj=27 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 43 GLN : amide:sc= -1.87! C(o=-0.76!,f=-1.2!) USER MOD Set 1.2: A 115 SER OG : rot -33:sc= 1.09 USER MOD Set 1.3: A 116 GLN : amide:sc= 0.0249 X(o=-0.76,f=-1.2) USER MOD Single : A 15 GLN : amide:sc= -2.02! C(o=-2!,f=-9.5!) USER MOD Single : A 26 GLN : amide:sc= -0.555 K(o=-0.56,f=-2.2) USER MOD Single : A 27 HIS : no HD1:sc= -4.89! C(o=-4.9!,f=-12!) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 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+ 136:sc= -3.54! (180deg=-6.21!) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 136:sc= 0.0637 (180deg=0) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ -147:sc= -0.45 (180deg=-1.84!) USER MOD Single : A 57 HIS : no HD1:sc= -9.13! C(o=-9.1!,f=-12!) USER MOD Single : A 59 ASN : amide:sc= -0.434 X(o=-0.43,f=-0.19) USER MOD Single : A 60 MET CE :methyl 163:sc= -3.45! (180deg=-4.69!) 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=-0.00721 K(o=-0.0072,f=-0.92) USER MOD Single : A 74 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 ASN : amide:sc= -0.0157 X(o=-0.016,f=-0.0035) USER MOD Single : A 77 GLN :FLIP amide:sc= -2.43 F(o=-5.1!,f=-2.4) USER MOD Single : A 84 ASN : amide:sc= -2.12! C(o=-2.1!,f=-4.1!) USER MOD Single : A 86 HIS : +bothHN:sc= -5.57! C(o=-5.6!,f=-12!) USER MOD Single : A 87 SER OG : rot 140:sc= -0.842 USER MOD Single : A 88 MET CE :methyl -150:sc= -1.48 (180deg=-2.62!) 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 USER MOD Single : A 96 SER OG : rot 180:sc= -0.0207 USER MOD Single : A 99 TYR OH : rot -173:sc= 0.0783 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 110 TYR OH : rot -140:sc= 0.945 USER MOD Single : A 111 MET CE :methyl -134:sc= -3.29 (180deg=-9.04!) USER MOD Single : A 113 TYR OH : rot 38:sc= 1.65 USER MOD Single : A 118 THR OG1 : rot 180:sc= 0 USER MOD Single : B 339 THR OG1 : rot 100:sc= -3.4! USER MOD Single : B 340 HIS : no HD1:sc= -0.0818 X(o=-0.082,f=-0.082) USER MOD Single : B 342 SER OG : rot 110:sc= 0.426 USER MOD Single : B 343 SER OG : rot 39:sc= 1.09 USER MOD Single : B 344 LYS NZ :NH3+ -142:sc= -0.0434 (180deg=-0.25) USER MOD ----------------------------------------------------------------- ATOM 221 N PHE A 13 -0.061 -17.624 -2.918 1.00 41.44 N ATOM 222 CA PHE A 13 1.133 -17.146 -2.240 1.00 63.33 C ATOM 223 C PHE A 13 2.378 -17.366 -3.102 1.00 44.41 C ATOM 224 O PHE A 13 3.036 -16.407 -3.504 1.00 20.03 O ATOM 225 CB PHE A 13 1.271 -17.958 -0.951 1.00 2.14 C ATOM 226 CG PHE A 13 1.951 -17.201 0.191 1.00 71.11 C ATOM 227 CD1 PHE A 13 1.592 -15.919 0.466 1.00 23.23 C ATOM 228 CD2 PHE A 13 2.915 -17.811 0.932 1.00 5.52 C ATOM 229 CE1 PHE A 13 2.224 -15.216 1.526 1.00 5.13 C ATOM 230 CE2 PHE A 13 3.547 -17.108 1.992 1.00 33.33 C ATOM 231 CZ PHE A 13 3.188 -15.826 2.267 1.00 61.43 C ATOM 0 HA PHE A 13 1.045 -16.078 -2.041 1.00 63.33 H new ATOM 0 HB2 PHE A 13 0.280 -18.274 -0.625 1.00 2.14 H new ATOM 0 HB3 PHE A 13 1.840 -18.863 -1.163 1.00 2.14 H new ATOM 0 HD1 PHE A 13 0.826 -15.435 -0.122 1.00 23.23 H new ATOM 0 HD2 PHE A 13 3.200 -18.830 0.714 1.00 5.52 H new ATOM 0 HE1 PHE A 13 1.939 -14.197 1.744 1.00 5.13 H new ATOM 0 HE2 PHE A 13 4.313 -17.592 2.580 1.00 33.33 H new ATOM 0 HZ PHE A 13 3.668 -15.292 3.074 1.00 61.43 H new ATOM 241 N GLU A 14 2.663 -18.633 -3.362 1.00 55.44 N ATOM 242 CA GLU A 14 3.817 -18.991 -4.169 1.00 2.44 C ATOM 243 C GLU A 14 3.915 -18.074 -5.391 1.00 21.01 C ATOM 244 O GLU A 14 4.999 -17.609 -5.736 1.00 32.24 O ATOM 245 CB GLU A 14 3.758 -20.461 -4.590 1.00 3.33 C ATOM 246 CG GLU A 14 3.930 -21.384 -3.382 1.00 34.15 C ATOM 247 CD GLU A 14 3.573 -22.828 -3.740 1.00 72.44 C ATOM 248 OE1 GLU A 14 3.521 -23.177 -4.929 1.00 44.41 O ATOM 249 OE2 GLU A 14 3.345 -23.599 -2.732 1.00 21.22 O ATOM 0 H GLU A 14 2.114 -19.425 -3.028 1.00 55.44 H new ATOM 0 HA GLU A 14 4.714 -18.856 -3.565 1.00 2.44 H new ATOM 0 HB2 GLU A 14 2.804 -20.666 -5.076 1.00 3.33 H new ATOM 0 HB3 GLU A 14 4.539 -20.665 -5.322 1.00 3.33 H new ATOM 0 HG2 GLU A 14 4.960 -21.337 -3.028 1.00 34.15 H new ATOM 0 HG3 GLU A 14 3.296 -21.041 -2.564 1.00 34.15 H new ATOM 257 N GLN A 15 2.767 -17.843 -6.011 1.00 45.15 N ATOM 258 CA GLN A 15 2.709 -16.991 -7.186 1.00 41.13 C ATOM 259 C GLN A 15 2.973 -15.534 -6.799 1.00 53.54 C ATOM 260 O GLN A 15 3.580 -14.785 -7.563 1.00 72.22 O ATOM 261 CB GLN A 15 1.365 -17.133 -7.901 1.00 53.44 C ATOM 262 CG GLN A 15 1.361 -18.355 -8.823 1.00 54.20 C ATOM 263 CD GLN A 15 1.097 -19.638 -8.032 1.00 14.33 C ATOM 264 OE1 GLN A 15 1.717 -19.910 -7.016 1.00 75.04 O ATOM 265 NE2 GLN A 15 0.146 -20.408 -8.551 1.00 10.33 N ATOM 0 H GLN A 15 1.869 -18.231 -5.721 1.00 45.15 H new ATOM 0 HA GLN A 15 3.487 -17.309 -7.880 1.00 41.13 H new ATOM 0 HB2 GLN A 15 0.566 -17.225 -7.166 1.00 53.44 H new ATOM 0 HB3 GLN A 15 1.161 -16.234 -8.482 1.00 53.44 H new ATOM 0 HG2 GLN A 15 0.597 -18.233 -9.591 1.00 54.20 H new ATOM 0 HG3 GLN A 15 2.320 -18.431 -9.336 1.00 54.20 H new ATOM 0 HE21 GLN A 15 -0.334 -20.121 -9.404 1.00 10.33 H new ATOM 0 HE22 GLN A 15 -0.104 -21.286 -8.096 1.00 10.33 H new ATOM 274 N ARG A 16 2.503 -15.176 -5.613 1.00 3.03 N ATOM 275 CA ARG A 16 2.680 -13.823 -5.115 1.00 14.35 C ATOM 276 C ARG A 16 4.111 -13.626 -4.610 1.00 53.10 C ATOM 277 O ARG A 16 4.565 -12.495 -4.446 1.00 3.11 O ATOM 278 CB ARG A 16 1.700 -13.521 -3.980 1.00 24.11 C ATOM 279 CG ARG A 16 1.728 -12.036 -3.612 1.00 72.42 C ATOM 280 CD ARG A 16 1.070 -11.188 -4.702 1.00 11.40 C ATOM 281 NE ARG A 16 -0.402 -11.307 -4.617 1.00 51.11 N ATOM 282 CZ ARG A 16 -1.267 -10.463 -5.218 1.00 12.01 C ATOM 283 NH1 ARG A 16 -0.812 -9.428 -5.956 1.00 15.11 N ATOM 284 NH2 ARG A 16 -2.563 -10.664 -5.075 1.00 73.11 N ATOM 0 H ARG A 16 2.000 -15.800 -4.982 1.00 3.03 H new ATOM 0 HA ARG A 16 2.485 -13.138 -5.940 1.00 14.35 H new ATOM 0 HB2 ARG A 16 0.692 -13.806 -4.280 1.00 24.11 H new ATOM 0 HB3 ARG A 16 1.954 -14.121 -3.106 1.00 24.11 H new ATOM 0 HG2 ARG A 16 1.210 -11.883 -2.665 1.00 72.42 H new ATOM 0 HG3 ARG A 16 2.759 -11.713 -3.468 1.00 72.42 H new ATOM 0 HD2 ARG A 16 1.366 -10.145 -4.591 1.00 11.40 H new ATOM 0 HD3 ARG A 16 1.413 -11.513 -5.684 1.00 11.40 H new ATOM 0 HE ARG A 16 -0.788 -12.076 -4.069 1.00 51.11 H new ATOM 0 HH11 ARG A 16 0.192 -9.280 -6.062 1.00 15.11 H new ATOM 0 HH12 ARG A 16 -1.472 -8.794 -6.407 1.00 15.11 H new ATOM 0 HH21 ARG A 16 -2.899 -11.449 -4.516 1.00 73.11 H new ATOM 0 HH22 ARG A 16 -3.229 -10.035 -5.523 1.00 73.11 H new ATOM 297 N VAL A 17 4.781 -14.745 -4.377 1.00 23.21 N ATOM 298 CA VAL A 17 6.151 -14.710 -3.894 1.00 72.24 C ATOM 299 C VAL A 17 7.107 -14.639 -5.087 1.00 12.31 C ATOM 300 O VAL A 17 8.084 -13.893 -5.060 1.00 41.11 O ATOM 301 CB VAL A 17 6.417 -15.912 -2.986 1.00 61.12 C ATOM 302 CG1 VAL A 17 7.895 -15.990 -2.598 1.00 70.24 C ATOM 303 CG2 VAL A 17 5.525 -15.868 -1.743 1.00 4.10 C ATOM 0 H VAL A 17 4.401 -15.682 -4.514 1.00 23.21 H new ATOM 0 HA VAL A 17 6.319 -13.819 -3.289 1.00 72.24 H new ATOM 0 HB VAL A 17 6.170 -16.815 -3.544 1.00 61.12 H new ATOM 0 HG11 VAL A 17 8.057 -16.853 -1.952 1.00 70.24 H new ATOM 0 HG12 VAL A 17 8.502 -16.091 -3.497 1.00 70.24 H new ATOM 0 HG13 VAL A 17 8.180 -15.082 -2.067 1.00 70.24 H new ATOM 0 HG21 VAL A 17 5.734 -16.734 -1.114 1.00 4.10 H new ATOM 0 HG22 VAL A 17 5.727 -14.955 -1.182 1.00 4.10 H new ATOM 0 HG23 VAL A 17 4.478 -15.884 -2.046 1.00 4.10 H new ATOM 313 N GLU A 18 6.790 -15.425 -6.105 1.00 25.41 N ATOM 314 CA GLU A 18 7.608 -15.461 -7.305 1.00 5.04 C ATOM 315 C GLU A 18 7.637 -14.083 -7.969 1.00 14.13 C ATOM 316 O GLU A 18 8.705 -13.578 -8.312 1.00 42.13 O ATOM 317 CB GLU A 18 7.106 -16.529 -8.279 1.00 74.55 C ATOM 318 CG GLU A 18 8.230 -17.000 -9.204 1.00 43.23 C ATOM 319 CD GLU A 18 7.733 -18.080 -10.166 1.00 34.23 C ATOM 320 OE1 GLU A 18 7.977 -19.274 -9.938 1.00 42.32 O ATOM 321 OE2 GLU A 18 7.068 -17.642 -11.181 1.00 63.31 O ATOM 0 H GLU A 18 5.978 -16.042 -6.124 1.00 25.41 H new ATOM 0 HA GLU A 18 8.626 -15.727 -7.020 1.00 5.04 H new ATOM 0 HB2 GLU A 18 6.710 -17.377 -7.721 1.00 74.55 H new ATOM 0 HB3 GLU A 18 6.285 -16.127 -8.873 1.00 74.55 H new ATOM 0 HG2 GLU A 18 8.618 -16.154 -9.771 1.00 43.23 H new ATOM 0 HG3 GLU A 18 9.056 -17.390 -8.609 1.00 43.23 H new ATOM 329 N ASP A 19 6.452 -13.515 -8.131 1.00 32.14 N ATOM 330 CA ASP A 19 6.328 -12.205 -8.748 1.00 24.24 C ATOM 331 C ASP A 19 7.362 -11.258 -8.137 1.00 51.31 C ATOM 332 O ASP A 19 7.922 -10.412 -8.833 1.00 42.23 O ATOM 333 CB ASP A 19 4.940 -11.610 -8.504 1.00 51.12 C ATOM 334 CG ASP A 19 4.492 -10.569 -9.531 1.00 40.34 C ATOM 335 OD1 ASP A 19 3.461 -9.902 -9.357 1.00 21.13 O ATOM 336 OD2 ASP A 19 5.261 -10.453 -10.561 1.00 21.13 O ATOM 0 H ASP A 19 5.569 -13.938 -7.846 1.00 32.14 H new ATOM 0 HA ASP A 19 6.487 -12.321 -9.820 1.00 24.24 H new ATOM 0 HB2 ASP A 19 4.211 -12.421 -8.489 1.00 51.12 H new ATOM 0 HB3 ASP A 19 4.927 -11.152 -7.515 1.00 51.12 H new ATOM 342 N VAL A 20 7.585 -11.432 -6.843 1.00 71.23 N ATOM 343 CA VAL A 20 8.543 -10.604 -6.130 1.00 54.42 C ATOM 344 C VAL A 20 9.959 -10.959 -6.589 1.00 35.23 C ATOM 345 O VAL A 20 10.774 -10.073 -6.840 1.00 13.24 O ATOM 346 CB VAL A 20 8.347 -10.759 -4.621 1.00 4.51 C ATOM 347 CG1 VAL A 20 9.656 -10.507 -3.870 1.00 23.14 C ATOM 348 CG2 VAL A 20 7.238 -9.836 -4.114 1.00 35.51 C ATOM 0 H VAL A 20 7.119 -12.135 -6.269 1.00 71.23 H new ATOM 0 HA VAL A 20 8.382 -9.550 -6.359 1.00 54.42 H new ATOM 0 HB VAL A 20 8.041 -11.787 -4.427 1.00 4.51 H new ATOM 0 HG11 VAL A 20 9.489 -10.623 -2.799 1.00 23.14 H new ATOM 0 HG12 VAL A 20 10.409 -11.223 -4.200 1.00 23.14 H new ATOM 0 HG13 VAL A 20 10.004 -9.495 -4.075 1.00 23.14 H new ATOM 0 HG21 VAL A 20 7.120 -9.966 -3.038 1.00 35.51 H new ATOM 0 HG22 VAL A 20 7.501 -8.800 -4.327 1.00 35.51 H new ATOM 0 HG23 VAL A 20 6.302 -10.083 -4.615 1.00 35.51 H new ATOM 358 N ARG A 21 10.208 -12.256 -6.685 1.00 73.35 N ATOM 359 CA ARG A 21 11.511 -12.739 -7.109 1.00 12.33 C ATOM 360 C ARG A 21 12.071 -11.849 -8.220 1.00 3.32 C ATOM 361 O ARG A 21 13.225 -11.427 -8.160 1.00 20.04 O ATOM 362 CB ARG A 21 11.426 -14.181 -7.614 1.00 32.23 C ATOM 363 CG ARG A 21 12.819 -14.805 -7.725 1.00 24.21 C ATOM 364 CD ARG A 21 12.728 -16.284 -8.108 1.00 65.53 C ATOM 365 NE ARG A 21 12.062 -16.426 -9.422 1.00 31.50 N ATOM 366 CZ ARG A 21 11.831 -17.610 -10.030 1.00 64.23 C ATOM 367 NH1 ARG A 21 12.211 -18.766 -9.445 1.00 64.10 N ATOM 368 NH2 ARG A 21 11.228 -17.620 -11.204 1.00 2.31 N ATOM 0 H ARG A 21 9.529 -12.988 -6.476 1.00 73.35 H new ATOM 0 HA ARG A 21 12.174 -12.707 -6.244 1.00 12.33 H new ATOM 0 HB2 ARG A 21 10.812 -14.772 -6.935 1.00 32.23 H new ATOM 0 HB3 ARG A 21 10.936 -14.201 -8.587 1.00 32.23 H new ATOM 0 HG2 ARG A 21 13.404 -14.268 -8.472 1.00 24.21 H new ATOM 0 HG3 ARG A 21 13.344 -14.703 -6.775 1.00 24.21 H new ATOM 0 HD2 ARG A 21 13.726 -16.720 -8.148 1.00 65.53 H new ATOM 0 HD3 ARG A 21 12.171 -16.832 -7.348 1.00 65.53 H new ATOM 0 HE ARG A 21 11.758 -15.577 -9.898 1.00 31.50 H new ATOM 0 HH11 ARG A 21 12.676 -18.749 -8.537 1.00 64.10 H new ATOM 0 HH12 ARG A 21 12.033 -19.656 -9.911 1.00 64.10 H new ATOM 0 HH21 ARG A 21 10.944 -16.742 -11.639 1.00 2.31 H new ATOM 0 HH22 ARG A 21 11.046 -18.506 -11.676 1.00 2.31 H new ATOM 381 N LEU A 22 11.227 -11.589 -9.208 1.00 21.23 N ATOM 382 CA LEU A 22 11.623 -10.757 -10.331 1.00 44.20 C ATOM 383 C LEU A 22 12.139 -9.414 -9.809 1.00 44.01 C ATOM 384 O LEU A 22 13.263 -9.018 -10.109 1.00 64.33 O ATOM 385 CB LEU A 22 10.474 -10.627 -11.333 1.00 45.15 C ATOM 386 CG LEU A 22 10.046 -11.917 -12.035 1.00 0.33 C ATOM 387 CD1 LEU A 22 9.569 -11.634 -13.460 1.00 14.41 C ATOM 388 CD2 LEU A 22 11.168 -12.957 -12.001 1.00 33.03 C ATOM 0 H LEU A 22 10.270 -11.940 -9.254 1.00 21.23 H new ATOM 0 HA LEU A 22 12.442 -11.222 -10.879 1.00 44.20 H new ATOM 0 HB2 LEU A 22 9.609 -10.216 -10.812 1.00 45.15 H new ATOM 0 HB3 LEU A 22 10.762 -9.901 -12.094 1.00 45.15 H new ATOM 0 HG LEU A 22 9.200 -12.338 -11.491 1.00 0.33 H new ATOM 0 HD11 LEU A 22 9.271 -12.568 -13.936 1.00 14.41 H new ATOM 0 HD12 LEU A 22 8.718 -10.954 -13.430 1.00 14.41 H new ATOM 0 HD13 LEU A 22 10.378 -11.178 -14.031 1.00 14.41 H new ATOM 0 HD21 LEU A 22 10.838 -13.865 -12.507 1.00 33.03 H new ATOM 0 HD22 LEU A 22 12.048 -12.559 -12.506 1.00 33.03 H new ATOM 0 HD23 LEU A 22 11.418 -13.189 -10.966 1.00 33.03 H new ATOM 400 N ILE A 23 11.291 -8.752 -9.035 1.00 72.43 N ATOM 401 CA ILE A 23 11.647 -7.463 -8.467 1.00 73.03 C ATOM 402 C ILE A 23 12.885 -7.623 -7.583 1.00 50.41 C ATOM 403 O ILE A 23 13.632 -6.668 -7.375 1.00 52.54 O ATOM 404 CB ILE A 23 10.449 -6.848 -7.742 1.00 1.30 C ATOM 405 CG1 ILE A 23 10.149 -5.444 -8.270 1.00 62.53 C ATOM 406 CG2 ILE A 23 10.662 -6.856 -6.226 1.00 72.53 C ATOM 407 CD1 ILE A 23 9.795 -5.482 -9.758 1.00 24.34 C ATOM 0 H ILE A 23 10.359 -9.084 -8.788 1.00 72.43 H new ATOM 0 HA ILE A 23 11.909 -6.759 -9.257 1.00 73.03 H new ATOM 0 HB ILE A 23 9.573 -7.463 -7.948 1.00 1.30 H new ATOM 0 HG12 ILE A 23 9.323 -5.009 -7.707 1.00 62.53 H new ATOM 0 HG13 ILE A 23 11.015 -4.800 -8.115 1.00 62.53 H new ATOM 0 HG21 ILE A 23 9.796 -6.413 -5.735 1.00 72.53 H new ATOM 0 HG22 ILE A 23 10.789 -7.882 -5.882 1.00 72.53 H new ATOM 0 HG23 ILE A 23 11.553 -6.278 -5.981 1.00 72.53 H new ATOM 0 HD11 ILE A 23 9.586 -4.471 -10.108 1.00 24.34 H new ATOM 0 HD12 ILE A 23 10.632 -5.895 -10.321 1.00 24.34 H new ATOM 0 HD13 ILE A 23 8.914 -6.107 -9.907 1.00 24.34 H new ATOM 419 N ARG A 24 13.065 -8.839 -7.087 1.00 12.34 N ATOM 420 CA ARG A 24 14.200 -9.137 -6.230 1.00 45.23 C ATOM 421 C ARG A 24 15.473 -9.280 -7.066 1.00 1.14 C ATOM 422 O ARG A 24 16.559 -8.916 -6.617 1.00 74.04 O ATOM 423 CB ARG A 24 13.969 -10.426 -5.439 1.00 34.14 C ATOM 424 CG ARG A 24 13.380 -10.125 -4.060 1.00 13.13 C ATOM 425 CD ARG A 24 14.243 -9.113 -3.304 1.00 0.34 C ATOM 426 NE ARG A 24 15.674 -9.344 -3.603 1.00 52.12 N ATOM 427 CZ ARG A 24 16.420 -10.313 -3.031 1.00 54.35 C ATOM 428 NH1 ARG A 24 15.876 -11.150 -2.123 1.00 71.43 N ATOM 429 NH2 ARG A 24 17.690 -10.429 -3.373 1.00 1.01 N ATOM 0 H ARG A 24 12.444 -9.629 -7.262 1.00 12.34 H new ATOM 0 HA ARG A 24 14.313 -8.310 -5.529 1.00 45.23 H new ATOM 0 HB2 ARG A 24 13.294 -11.080 -5.992 1.00 34.14 H new ATOM 0 HB3 ARG A 24 14.912 -10.962 -5.327 1.00 34.14 H new ATOM 0 HG2 ARG A 24 12.368 -9.735 -4.170 1.00 13.13 H new ATOM 0 HG3 ARG A 24 13.305 -11.047 -3.483 1.00 13.13 H new ATOM 0 HD2 ARG A 24 13.963 -8.099 -3.589 1.00 0.34 H new ATOM 0 HD3 ARG A 24 14.068 -9.203 -2.232 1.00 0.34 H new ATOM 0 HE ARG A 24 16.125 -8.733 -4.284 1.00 52.12 H new ATOM 0 HH11 ARG A 24 14.894 -11.053 -1.864 1.00 71.43 H new ATOM 0 HH12 ARG A 24 16.447 -11.879 -1.696 1.00 71.43 H new ATOM 0 HH21 ARG A 24 18.093 -9.792 -4.060 1.00 1.01 H new ATOM 0 HH22 ARG A 24 18.268 -11.156 -2.950 1.00 1.01 H new ATOM 442 N GLU A 25 15.297 -9.811 -8.267 1.00 75.54 N ATOM 443 CA GLU A 25 16.419 -10.007 -9.170 1.00 71.24 C ATOM 444 C GLU A 25 16.514 -8.843 -10.159 1.00 4.54 C ATOM 445 O GLU A 25 17.452 -8.772 -10.951 1.00 51.11 O ATOM 446 CB GLU A 25 16.303 -11.343 -9.906 1.00 21.24 C ATOM 447 CG GLU A 25 15.008 -11.411 -10.718 1.00 65.42 C ATOM 448 CD GLU A 25 15.187 -12.282 -11.963 1.00 43.43 C ATOM 449 OE1 GLU A 25 14.740 -11.901 -13.056 1.00 42.04 O ATOM 450 OE2 GLU A 25 15.816 -13.391 -11.767 1.00 50.21 O ATOM 0 H GLU A 25 14.395 -10.112 -8.636 1.00 75.54 H new ATOM 0 HA GLU A 25 17.335 -10.033 -8.580 1.00 71.24 H new ATOM 0 HB2 GLU A 25 17.159 -11.473 -10.568 1.00 21.24 H new ATOM 0 HB3 GLU A 25 16.329 -12.162 -9.187 1.00 21.24 H new ATOM 0 HG2 GLU A 25 14.207 -11.815 -10.099 1.00 65.42 H new ATOM 0 HG3 GLU A 25 14.706 -10.406 -11.013 1.00 65.42 H new ATOM 458 N GLN A 26 15.530 -7.959 -10.080 1.00 42.22 N ATOM 459 CA GLN A 26 15.491 -6.802 -10.958 1.00 1.04 C ATOM 460 C GLN A 26 15.677 -5.516 -10.149 1.00 74.23 C ATOM 461 O GLN A 26 16.595 -4.741 -10.412 1.00 72.32 O ATOM 462 CB GLN A 26 14.187 -6.764 -11.757 1.00 4.32 C ATOM 463 CG GLN A 26 14.158 -7.871 -12.812 1.00 11.50 C ATOM 464 CD GLN A 26 13.280 -7.473 -14.000 1.00 70.32 C ATOM 465 OE1 GLN A 26 13.273 -6.338 -14.448 1.00 21.42 O ATOM 466 NE2 GLN A 26 12.541 -8.468 -14.484 1.00 14.23 N ATOM 0 H GLN A 26 14.754 -8.021 -9.421 1.00 42.22 H new ATOM 0 HA GLN A 26 16.312 -6.882 -11.670 1.00 1.04 H new ATOM 0 HB2 GLN A 26 13.339 -6.878 -11.082 1.00 4.32 H new ATOM 0 HB3 GLN A 26 14.081 -5.793 -12.241 1.00 4.32 H new ATOM 0 HG2 GLN A 26 15.171 -8.076 -13.157 1.00 11.50 H new ATOM 0 HG3 GLN A 26 13.780 -8.792 -12.368 1.00 11.50 H new ATOM 0 HE21 GLN A 26 12.594 -9.395 -14.062 1.00 14.23 H new ATOM 0 HE22 GLN A 26 11.921 -8.304 -15.277 1.00 14.23 H new ATOM 475 N HIS A 27 14.790 -5.329 -9.183 1.00 51.23 N ATOM 476 CA HIS A 27 14.844 -4.151 -8.335 1.00 52.43 C ATOM 477 C HIS A 27 15.088 -4.573 -6.884 1.00 72.33 C ATOM 478 O HIS A 27 14.153 -4.644 -6.089 1.00 1.33 O ATOM 479 CB HIS A 27 13.582 -3.303 -8.501 1.00 21.24 C ATOM 480 CG HIS A 27 13.212 -3.027 -9.939 1.00 74.33 C ATOM 481 ND1 HIS A 27 13.206 -1.753 -10.480 1.00 31.43 N ATOM 482 CD2 HIS A 27 12.838 -3.873 -10.941 1.00 21.41 C ATOM 483 CE1 HIS A 27 12.842 -1.840 -11.751 1.00 74.54 C ATOM 484 NE2 HIS A 27 12.614 -3.155 -12.035 1.00 22.24 N ATOM 0 H HIS A 27 14.029 -5.974 -8.969 1.00 51.23 H new ATOM 0 HA HIS A 27 15.679 -3.519 -8.638 1.00 52.43 H new ATOM 0 HB2 HIS A 27 12.749 -3.810 -8.013 1.00 21.24 H new ATOM 0 HB3 HIS A 27 13.724 -2.354 -7.984 1.00 21.24 H new ATOM 0 HD2 HIS A 27 12.741 -4.945 -10.859 1.00 21.41 H new ATOM 0 HE1 HIS A 27 12.743 -1.015 -12.441 1.00 74.54 H new ATOM 0 HE2 HIS A 27 12.320 -3.525 -12.939 1.00 22.24 H new ATOM 492 N PRO A 28 16.384 -4.851 -6.577 1.00 55.03 N ATOM 493 CA PRO A 28 16.763 -5.264 -5.237 1.00 41.14 C ATOM 494 C PRO A 28 16.752 -4.076 -4.273 1.00 41.12 C ATOM 495 O PRO A 28 16.473 -4.238 -3.086 1.00 74.04 O ATOM 496 CB PRO A 28 18.139 -5.890 -5.392 1.00 22.43 C ATOM 497 CG PRO A 28 18.677 -5.389 -6.723 1.00 40.31 C ATOM 498 CD PRO A 28 17.518 -4.778 -7.494 1.00 2.23 C ATOM 0 HA PRO A 28 16.062 -5.977 -4.803 1.00 41.14 H new ATOM 0 HB2 PRO A 28 18.795 -5.600 -4.571 1.00 22.43 H new ATOM 0 HB3 PRO A 28 18.077 -6.978 -5.381 1.00 22.43 H new ATOM 0 HG2 PRO A 28 19.462 -4.649 -6.564 1.00 40.31 H new ATOM 0 HG3 PRO A 28 19.122 -6.208 -7.288 1.00 40.31 H new ATOM 0 HD2 PRO A 28 17.731 -3.748 -7.779 1.00 2.23 H new ATOM 0 HD3 PRO A 28 17.320 -5.329 -8.414 1.00 2.23 H new ATOM 506 N THR A 29 17.059 -2.909 -4.819 1.00 63.23 N ATOM 507 CA THR A 29 17.089 -1.694 -4.022 1.00 35.40 C ATOM 508 C THR A 29 15.715 -1.021 -4.026 1.00 2.51 C ATOM 509 O THR A 29 15.617 0.200 -3.911 1.00 3.01 O ATOM 510 CB THR A 29 18.205 -0.799 -4.565 1.00 72.21 C ATOM 511 OG1 THR A 29 17.660 -0.253 -5.763 1.00 20.14 O ATOM 512 CG2 THR A 29 19.419 -1.600 -5.039 1.00 4.31 C ATOM 0 H THR A 29 17.289 -2.779 -5.804 1.00 63.23 H new ATOM 0 HA THR A 29 17.308 -1.912 -2.977 1.00 35.40 H new ATOM 0 HB THR A 29 18.514 -0.095 -3.792 1.00 72.21 H new ATOM 0 HG1 THR A 29 18.318 0.342 -6.180 1.00 20.14 H new ATOM 0 HG21 THR A 29 20.181 -0.917 -5.415 1.00 4.31 H new ATOM 0 HG22 THR A 29 19.824 -2.174 -4.205 1.00 4.31 H new ATOM 0 HG23 THR A 29 19.118 -2.281 -5.835 1.00 4.31 H new ATOM 520 N LYS A 30 14.687 -1.847 -4.158 1.00 73.12 N ATOM 521 CA LYS A 30 13.323 -1.347 -4.178 1.00 13.34 C ATOM 522 C LYS A 30 12.451 -2.221 -3.274 1.00 74.25 C ATOM 523 O LYS A 30 12.667 -3.427 -3.175 1.00 52.32 O ATOM 524 CB LYS A 30 12.810 -1.246 -5.616 1.00 53.11 C ATOM 525 CG LYS A 30 13.496 -0.102 -6.364 1.00 74.24 C ATOM 526 CD LYS A 30 12.690 1.193 -6.244 1.00 31.34 C ATOM 527 CE LYS A 30 12.834 2.048 -7.505 1.00 62.14 C ATOM 528 NZ LYS A 30 13.932 3.027 -7.344 1.00 64.44 N ATOM 0 H LYS A 30 14.772 -2.859 -4.252 1.00 73.12 H new ATOM 0 HA LYS A 30 13.283 -0.334 -3.778 1.00 13.34 H new ATOM 0 HB2 LYS A 30 12.991 -2.186 -6.137 1.00 53.11 H new ATOM 0 HB3 LYS A 30 11.732 -1.087 -5.611 1.00 53.11 H new ATOM 0 HG2 LYS A 30 14.498 0.051 -5.963 1.00 74.24 H new ATOM 0 HG3 LYS A 30 13.611 -0.367 -7.415 1.00 74.24 H new ATOM 0 HD2 LYS A 30 11.639 0.957 -6.078 1.00 31.34 H new ATOM 0 HD3 LYS A 30 13.030 1.758 -5.376 1.00 31.34 H new ATOM 0 HE2 LYS A 30 13.032 1.408 -8.365 1.00 62.14 H new ATOM 0 HE3 LYS A 30 11.899 2.571 -7.706 1.00 62.14 H new ATOM 0 HZ1 LYS A 30 14.016 3.599 -8.208 1.00 64.44 H new ATOM 0 HZ2 LYS A 30 13.727 3.649 -6.536 1.00 64.44 H new ATOM 0 HZ3 LYS A 30 14.825 2.522 -7.174 1.00 64.44 H new ATOM 541 N ILE A 31 11.484 -1.577 -2.637 1.00 11.23 N ATOM 542 CA ILE A 31 10.579 -2.280 -1.744 1.00 34.53 C ATOM 543 C ILE A 31 9.266 -2.565 -2.476 1.00 61.33 C ATOM 544 O ILE A 31 8.564 -1.640 -2.882 1.00 14.43 O ATOM 545 CB ILE A 31 10.398 -1.500 -0.440 1.00 2.23 C ATOM 546 CG1 ILE A 31 11.752 -1.144 0.178 1.00 63.34 C ATOM 547 CG2 ILE A 31 9.505 -2.265 0.538 1.00 3.42 C ATOM 548 CD1 ILE A 31 12.425 -2.382 0.774 1.00 43.44 C ATOM 0 H ILE A 31 11.308 -0.576 -2.722 1.00 11.23 H new ATOM 0 HA ILE A 31 11.001 -3.243 -1.457 1.00 34.53 H new ATOM 0 HB ILE A 31 9.892 -0.562 -0.671 1.00 2.23 H new ATOM 0 HG12 ILE A 31 12.398 -0.705 -0.582 1.00 63.34 H new ATOM 0 HG13 ILE A 31 11.615 -0.391 0.954 1.00 63.34 H new ATOM 0 HG21 ILE A 31 9.393 -1.688 1.456 1.00 3.42 H new ATOM 0 HG22 ILE A 31 8.525 -2.424 0.088 1.00 3.42 H new ATOM 0 HG23 ILE A 31 9.959 -3.229 0.768 1.00 3.42 H new ATOM 0 HD11 ILE A 31 13.385 -2.101 1.207 1.00 43.44 H new ATOM 0 HD12 ILE A 31 11.787 -2.805 1.550 1.00 43.44 H new ATOM 0 HD13 ILE A 31 12.583 -3.123 -0.010 1.00 43.44 H new ATOM 560 N PRO A 32 8.966 -3.883 -2.627 1.00 41.13 N ATOM 561 CA PRO A 32 7.751 -4.302 -3.304 1.00 31.23 C ATOM 562 C PRO A 32 6.526 -4.090 -2.412 1.00 60.01 C ATOM 563 O PRO A 32 6.573 -4.358 -1.212 1.00 33.01 O ATOM 564 CB PRO A 32 7.981 -5.761 -3.660 1.00 4.31 C ATOM 565 CG PRO A 32 9.116 -6.234 -2.766 1.00 32.45 C ATOM 566 CD PRO A 32 9.774 -5.006 -2.159 1.00 10.22 C ATOM 0 HA PRO A 32 7.545 -3.716 -4.200 1.00 31.23 H new ATOM 0 HB2 PRO A 32 7.080 -6.351 -3.492 1.00 4.31 H new ATOM 0 HB3 PRO A 32 8.242 -5.870 -4.713 1.00 4.31 H new ATOM 0 HG2 PRO A 32 8.737 -6.890 -1.983 1.00 32.45 H new ATOM 0 HG3 PRO A 32 9.841 -6.810 -3.342 1.00 32.45 H new ATOM 0 HD2 PRO A 32 9.785 -5.060 -1.070 1.00 10.22 H new ATOM 0 HD3 PRO A 32 10.810 -4.911 -2.484 1.00 10.22 H new ATOM 574 N VAL A 33 5.458 -3.610 -3.032 1.00 12.13 N ATOM 575 CA VAL A 33 4.222 -3.359 -2.309 1.00 24.23 C ATOM 576 C VAL A 33 3.033 -3.628 -3.233 1.00 4.32 C ATOM 577 O VAL A 33 3.152 -3.519 -4.452 1.00 1.31 O ATOM 578 CB VAL A 33 4.228 -1.939 -1.739 1.00 41.31 C ATOM 579 CG1 VAL A 33 5.582 -1.608 -1.108 1.00 5.21 C ATOM 580 CG2 VAL A 33 3.859 -0.916 -2.815 1.00 4.04 C ATOM 0 H VAL A 33 5.423 -3.388 -4.027 1.00 12.13 H new ATOM 0 HA VAL A 33 4.132 -4.035 -1.459 1.00 24.23 H new ATOM 0 HB VAL A 33 3.472 -1.888 -0.955 1.00 41.31 H new ATOM 0 HG11 VAL A 33 5.560 -0.593 -0.710 1.00 5.21 H new ATOM 0 HG12 VAL A 33 5.788 -2.310 -0.300 1.00 5.21 H new ATOM 0 HG13 VAL A 33 6.364 -1.685 -1.863 1.00 5.21 H new ATOM 0 HG21 VAL A 33 3.870 0.085 -2.384 1.00 4.04 H new ATOM 0 HG22 VAL A 33 4.581 -0.969 -3.630 1.00 4.04 H new ATOM 0 HG23 VAL A 33 2.862 -1.135 -3.198 1.00 4.04 H new ATOM 590 N ILE A 34 1.912 -3.973 -2.616 1.00 53.34 N ATOM 591 CA ILE A 34 0.701 -4.258 -3.368 1.00 0.30 C ATOM 592 C ILE A 34 -0.415 -3.322 -2.901 1.00 63.12 C ATOM 593 O ILE A 34 -1.055 -3.573 -1.881 1.00 30.23 O ATOM 594 CB ILE A 34 0.343 -5.742 -3.264 1.00 40.20 C ATOM 595 CG1 ILE A 34 1.337 -6.602 -4.049 1.00 35.11 C ATOM 596 CG2 ILE A 34 -1.101 -5.990 -3.704 1.00 40.24 C ATOM 597 CD1 ILE A 34 1.285 -6.275 -5.542 1.00 42.24 C ATOM 0 H ILE A 34 1.817 -4.062 -1.604 1.00 53.34 H new ATOM 0 HA ILE A 34 0.857 -4.065 -4.429 1.00 0.30 H new ATOM 0 HB ILE A 34 0.416 -6.038 -2.218 1.00 40.20 H new ATOM 0 HG12 ILE A 34 2.346 -6.435 -3.671 1.00 35.11 H new ATOM 0 HG13 ILE A 34 1.110 -7.657 -3.896 1.00 35.11 H new ATOM 0 HG21 ILE A 34 -1.329 -7.053 -3.620 1.00 40.24 H new ATOM 0 HG22 ILE A 34 -1.778 -5.422 -3.066 1.00 40.24 H new ATOM 0 HG23 ILE A 34 -1.226 -5.673 -4.739 1.00 40.24 H new ATOM 0 HD11 ILE A 34 2.001 -6.900 -6.076 1.00 42.24 H new ATOM 0 HD12 ILE A 34 0.281 -6.467 -5.922 1.00 42.24 H new ATOM 0 HD13 ILE A 34 1.536 -5.225 -5.693 1.00 42.24 H new ATOM 609 N ILE A 35 -0.616 -2.263 -3.671 1.00 13.32 N ATOM 610 CA ILE A 35 -1.644 -1.288 -3.350 1.00 43.02 C ATOM 611 C ILE A 35 -2.911 -1.609 -4.145 1.00 62.52 C ATOM 612 O ILE A 35 -2.868 -1.726 -5.368 1.00 31.22 O ATOM 613 CB ILE A 35 -1.123 0.134 -3.571 1.00 14.43 C ATOM 614 CG1 ILE A 35 0.200 0.353 -2.834 1.00 62.53 C ATOM 615 CG2 ILE A 35 -2.177 1.171 -3.179 1.00 64.40 C ATOM 616 CD1 ILE A 35 0.998 1.494 -3.469 1.00 12.23 C ATOM 0 H ILE A 35 -0.084 -2.059 -4.517 1.00 13.32 H new ATOM 0 HA ILE A 35 -1.906 -1.345 -2.294 1.00 43.02 H new ATOM 0 HB ILE A 35 -0.924 0.264 -4.635 1.00 14.43 H new ATOM 0 HG12 ILE A 35 0.004 0.581 -1.786 1.00 62.53 H new ATOM 0 HG13 ILE A 35 0.789 -0.564 -2.856 1.00 62.53 H new ATOM 0 HG21 ILE A 35 -1.781 2.173 -3.346 1.00 64.40 H new ATOM 0 HG22 ILE A 35 -3.071 1.028 -3.786 1.00 64.40 H new ATOM 0 HG23 ILE A 35 -2.431 1.052 -2.126 1.00 64.40 H new ATOM 0 HD11 ILE A 35 1.934 1.629 -2.927 1.00 12.23 H new ATOM 0 HD12 ILE A 35 1.213 1.252 -4.510 1.00 12.23 H new ATOM 0 HD13 ILE A 35 0.416 2.414 -3.423 1.00 12.23 H new ATOM 628 N GLU A 36 -4.010 -1.742 -3.417 1.00 14.05 N ATOM 629 CA GLU A 36 -5.287 -2.048 -4.039 1.00 10.15 C ATOM 630 C GLU A 36 -6.416 -1.298 -3.328 1.00 32.02 C ATOM 631 O GLU A 36 -6.247 -0.836 -2.201 1.00 33.43 O ATOM 632 CB GLU A 36 -5.548 -3.555 -4.044 1.00 14.40 C ATOM 633 CG GLU A 36 -4.907 -4.219 -5.264 1.00 64.41 C ATOM 634 CD GLU A 36 -5.457 -3.626 -6.563 1.00 73.35 C ATOM 635 OE1 GLU A 36 -4.913 -2.635 -7.072 1.00 11.42 O ATOM 636 OE2 GLU A 36 -6.488 -4.233 -7.046 1.00 2.44 O ATOM 0 H GLU A 36 -4.042 -1.643 -2.402 1.00 14.05 H new ATOM 0 HA GLU A 36 -5.253 -1.716 -5.077 1.00 10.15 H new ATOM 0 HB2 GLU A 36 -5.149 -4.000 -3.132 1.00 14.40 H new ATOM 0 HB3 GLU A 36 -6.622 -3.742 -4.046 1.00 14.40 H new ATOM 0 HG2 GLU A 36 -3.826 -4.086 -5.229 1.00 64.41 H new ATOM 0 HG3 GLU A 36 -5.097 -5.292 -5.241 1.00 64.41 H new ATOM 644 N ARG A 37 -7.544 -1.201 -4.017 1.00 33.23 N ATOM 645 CA ARG A 37 -8.701 -0.515 -3.466 1.00 73.24 C ATOM 646 C ARG A 37 -9.325 -1.346 -2.344 1.00 64.52 C ATOM 647 O ARG A 37 -9.394 -2.571 -2.437 1.00 12.04 O ATOM 648 CB ARG A 37 -9.753 -0.256 -4.546 1.00 51.13 C ATOM 649 CG ARG A 37 -10.320 -1.571 -5.086 1.00 1.41 C ATOM 650 CD ARG A 37 -10.696 -1.440 -6.563 1.00 24.11 C ATOM 651 NE ARG A 37 -12.166 -1.513 -6.720 1.00 34.33 N ATOM 652 CZ ARG A 37 -12.788 -1.912 -7.850 1.00 70.24 C ATOM 653 NH1 ARG A 37 -12.071 -2.277 -8.934 1.00 72.20 N ATOM 654 NH2 ARG A 37 -14.107 -1.939 -7.878 1.00 44.03 N ATOM 0 H ARG A 37 -7.681 -1.586 -4.952 1.00 33.23 H new ATOM 0 HA ARG A 37 -8.362 0.442 -3.069 1.00 73.24 H new ATOM 0 HB2 ARG A 37 -10.560 0.350 -4.135 1.00 51.13 H new ATOM 0 HB3 ARG A 37 -9.309 0.315 -5.362 1.00 51.13 H new ATOM 0 HG2 ARG A 37 -9.584 -2.366 -4.963 1.00 1.41 H new ATOM 0 HG3 ARG A 37 -11.198 -1.857 -4.507 1.00 1.41 H new ATOM 0 HD2 ARG A 37 -10.326 -0.494 -6.958 1.00 24.11 H new ATOM 0 HD3 ARG A 37 -10.221 -2.234 -7.139 1.00 24.11 H new ATOM 0 HE ARG A 37 -12.746 -1.245 -5.925 1.00 34.33 H new ATOM 0 HH11 ARG A 37 -11.052 -2.253 -8.903 1.00 72.20 H new ATOM 0 HH12 ARG A 37 -12.548 -2.577 -9.784 1.00 72.20 H new ATOM 0 HH21 ARG A 37 -14.640 -1.661 -7.054 1.00 44.03 H new ATOM 0 HH22 ARG A 37 -14.593 -2.238 -8.723 1.00 44.03 H new ATOM 667 N TYR A 38 -9.765 -0.647 -1.308 1.00 2.33 N ATOM 668 CA TYR A 38 -10.382 -1.306 -0.168 1.00 20.32 C ATOM 669 C TYR A 38 -11.611 -2.108 -0.598 1.00 54.11 C ATOM 670 O TYR A 38 -12.397 -1.652 -1.427 1.00 13.01 O ATOM 671 CB TYR A 38 -10.823 -0.187 0.777 1.00 12.43 C ATOM 672 CG TYR A 38 -11.918 -0.600 1.763 1.00 11.11 C ATOM 673 CD1 TYR A 38 -13.210 -0.793 1.319 1.00 12.43 C ATOM 674 CD2 TYR A 38 -11.612 -0.782 3.097 1.00 42.23 C ATOM 675 CE1 TYR A 38 -14.240 -1.182 2.247 1.00 53.35 C ATOM 676 CE2 TYR A 38 -12.642 -1.171 4.025 1.00 42.11 C ATOM 677 CZ TYR A 38 -13.905 -1.352 3.554 1.00 23.24 C ATOM 678 OH TYR A 38 -14.878 -1.720 4.430 1.00 23.44 O ATOM 0 H TYR A 38 -9.707 0.369 -1.234 1.00 2.33 H new ATOM 0 HA TYR A 38 -9.682 -1.998 0.301 1.00 20.32 H new ATOM 0 HB2 TYR A 38 -9.957 0.163 1.338 1.00 12.43 H new ATOM 0 HB3 TYR A 38 -11.181 0.655 0.184 1.00 12.43 H new ATOM 0 HD1 TYR A 38 -13.449 -0.652 0.275 1.00 12.43 H new ATOM 0 HD2 TYR A 38 -10.600 -0.633 3.444 1.00 42.23 H new ATOM 0 HE1 TYR A 38 -15.255 -1.335 1.913 1.00 53.35 H new ATOM 0 HE2 TYR A 38 -12.417 -1.316 5.071 1.00 42.11 H new ATOM 0 HH TYR A 38 -14.495 -1.805 5.328 1.00 23.44 H new ATOM 688 N LYS A 39 -11.740 -3.291 -0.015 1.00 73.55 N ATOM 689 CA LYS A 39 -12.860 -4.162 -0.327 1.00 43.43 C ATOM 690 C LYS A 39 -14.169 -3.406 -0.092 1.00 21.11 C ATOM 691 O LYS A 39 -14.680 -3.376 1.027 1.00 3.42 O ATOM 692 CB LYS A 39 -12.756 -5.471 0.457 1.00 73.41 C ATOM 693 CG LYS A 39 -11.395 -6.135 0.239 1.00 61.13 C ATOM 694 CD LYS A 39 -11.419 -7.597 0.690 1.00 10.22 C ATOM 695 CE LYS A 39 -12.007 -7.726 2.097 1.00 52.01 C ATOM 696 NZ LYS A 39 -13.480 -7.585 2.058 1.00 32.44 N ATOM 0 H LYS A 39 -11.087 -3.667 0.672 1.00 73.55 H new ATOM 0 HA LYS A 39 -12.840 -4.446 -1.379 1.00 43.43 H new ATOM 0 HB2 LYS A 39 -12.903 -5.275 1.519 1.00 73.41 H new ATOM 0 HB3 LYS A 39 -13.550 -6.150 0.145 1.00 73.41 H new ATOM 0 HG2 LYS A 39 -11.125 -6.081 -0.816 1.00 61.13 H new ATOM 0 HG3 LYS A 39 -10.629 -5.592 0.793 1.00 61.13 H new ATOM 0 HD2 LYS A 39 -12.009 -8.188 -0.010 1.00 10.22 H new ATOM 0 HD3 LYS A 39 -10.407 -8.003 0.676 1.00 10.22 H new ATOM 0 HE2 LYS A 39 -11.739 -8.693 2.522 1.00 52.01 H new ATOM 0 HE3 LYS A 39 -11.580 -6.963 2.748 1.00 52.01 H new ATOM 0 HZ1 LYS A 39 -13.914 -8.313 2.660 1.00 32.44 H new ATOM 0 HZ2 LYS A 39 -13.748 -6.642 2.406 1.00 32.44 H new ATOM 0 HZ3 LYS A 39 -13.814 -7.700 1.080 1.00 32.44 H new ATOM 709 N GLY A 40 -14.675 -2.814 -1.164 1.00 74.45 N ATOM 710 CA GLY A 40 -15.914 -2.060 -1.088 1.00 3.24 C ATOM 711 C GLY A 40 -15.661 -0.566 -1.300 1.00 12.21 C ATOM 712 O GLY A 40 -16.485 0.267 -0.924 1.00 40.33 O ATOM 0 H GLY A 40 -14.249 -2.842 -2.090 1.00 74.45 H new ATOM 0 HA2 GLY A 40 -16.612 -2.425 -1.841 1.00 3.24 H new ATOM 0 HA3 GLY A 40 -16.382 -2.219 -0.116 1.00 3.24 H new ATOM 716 N GLU A 41 -14.519 -0.271 -1.902 1.00 33.32 N ATOM 717 CA GLU A 41 -14.147 1.108 -2.169 1.00 32.55 C ATOM 718 C GLU A 41 -14.773 1.582 -3.482 1.00 20.11 C ATOM 719 O GLU A 41 -14.444 1.070 -4.551 1.00 31.05 O ATOM 720 CB GLU A 41 -12.626 1.270 -2.197 1.00 62.14 C ATOM 721 CG GLU A 41 -12.216 2.676 -1.752 1.00 52.41 C ATOM 722 CD GLU A 41 -12.802 3.009 -0.379 1.00 41.41 C ATOM 723 OE1 GLU A 41 -12.707 2.194 0.550 1.00 62.12 O ATOM 724 OE2 GLU A 41 -13.372 4.164 -0.296 1.00 34.32 O ATOM 0 H GLU A 41 -13.838 -0.964 -2.213 1.00 33.32 H new ATOM 0 HA GLU A 41 -14.531 1.730 -1.361 1.00 32.55 H new ATOM 0 HB2 GLU A 41 -12.166 0.529 -1.543 1.00 62.14 H new ATOM 0 HB3 GLU A 41 -12.255 1.081 -3.204 1.00 62.14 H new ATOM 0 HG2 GLU A 41 -11.129 2.747 -1.714 1.00 52.41 H new ATOM 0 HG3 GLU A 41 -12.558 3.407 -2.484 1.00 52.41 H new ATOM 732 N LYS A 42 -15.664 2.555 -3.358 1.00 64.40 N ATOM 733 CA LYS A 42 -16.339 3.104 -4.522 1.00 2.11 C ATOM 734 C LYS A 42 -15.906 4.558 -4.718 1.00 14.01 C ATOM 735 O LYS A 42 -16.167 5.151 -5.764 1.00 33.23 O ATOM 736 CB LYS A 42 -17.853 2.924 -4.397 1.00 13.31 C ATOM 737 CG LYS A 42 -18.412 3.763 -3.246 1.00 45.50 C ATOM 738 CD LYS A 42 -18.436 5.249 -3.612 1.00 43.25 C ATOM 739 CE LYS A 42 -19.627 5.955 -2.960 1.00 4.32 C ATOM 740 NZ LYS A 42 -19.727 7.351 -3.439 1.00 23.20 N ATOM 0 H LYS A 42 -15.934 2.977 -2.470 1.00 64.40 H new ATOM 0 HA LYS A 42 -16.050 2.561 -5.422 1.00 2.11 H new ATOM 0 HB2 LYS A 42 -18.335 3.214 -5.331 1.00 13.31 H new ATOM 0 HB3 LYS A 42 -18.085 1.872 -4.231 1.00 13.31 H new ATOM 0 HG2 LYS A 42 -19.421 3.428 -3.004 1.00 45.50 H new ATOM 0 HG3 LYS A 42 -17.804 3.614 -2.354 1.00 45.50 H new ATOM 0 HD2 LYS A 42 -17.508 5.721 -3.290 1.00 43.25 H new ATOM 0 HD3 LYS A 42 -18.491 5.360 -4.695 1.00 43.25 H new ATOM 0 HE2 LYS A 42 -20.547 5.418 -3.191 1.00 4.32 H new ATOM 0 HE3 LYS A 42 -19.515 5.943 -1.876 1.00 4.32 H new ATOM 0 HZ1 LYS A 42 -20.540 7.816 -2.987 1.00 23.20 H new ATOM 0 HZ2 LYS A 42 -18.856 7.865 -3.196 1.00 23.20 H new ATOM 0 HZ3 LYS A 42 -19.855 7.356 -4.471 1.00 23.20 H new ATOM 753 N GLN A 43 -15.252 5.090 -3.697 1.00 63.45 N ATOM 754 CA GLN A 43 -14.781 6.464 -3.744 1.00 43.21 C ATOM 755 C GLN A 43 -13.564 6.576 -4.664 1.00 65.15 C ATOM 756 O GLN A 43 -13.703 6.869 -5.851 1.00 23.23 O ATOM 757 CB GLN A 43 -14.456 6.981 -2.341 1.00 65.43 C ATOM 758 CG GLN A 43 -15.727 7.121 -1.501 1.00 61.32 C ATOM 759 CD GLN A 43 -15.388 7.419 -0.039 1.00 0.41 C ATOM 760 OE1 GLN A 43 -15.287 8.559 0.382 1.00 34.35 O ATOM 761 NE2 GLN A 43 -15.219 6.332 0.709 1.00 61.50 N ATOM 0 H GLN A 43 -15.037 4.595 -2.832 1.00 63.45 H new ATOM 0 HA GLN A 43 -15.578 7.087 -4.149 1.00 43.21 H new ATOM 0 HB2 GLN A 43 -13.764 6.298 -1.849 1.00 65.43 H new ATOM 0 HB3 GLN A 43 -13.955 7.946 -2.412 1.00 65.43 H new ATOM 0 HG2 GLN A 43 -16.348 7.921 -1.905 1.00 61.32 H new ATOM 0 HG3 GLN A 43 -16.311 6.203 -1.563 1.00 61.32 H new ATOM 0 HE21 GLN A 43 -15.318 5.406 0.293 1.00 61.50 H new ATOM 0 HE22 GLN A 43 -14.990 6.424 1.699 1.00 61.50 H new ATOM 770 N LEU A 44 -12.398 6.337 -4.083 1.00 70.13 N ATOM 771 CA LEU A 44 -11.157 6.407 -4.836 1.00 74.32 C ATOM 772 C LEU A 44 -11.253 5.487 -6.055 1.00 11.20 C ATOM 773 O LEU A 44 -11.853 4.416 -5.983 1.00 43.35 O ATOM 774 CB LEU A 44 -9.962 6.104 -3.929 1.00 23.41 C ATOM 775 CG LEU A 44 -9.662 7.143 -2.846 1.00 52.12 C ATOM 776 CD1 LEU A 44 -8.288 6.899 -2.219 1.00 50.33 C ATOM 777 CD2 LEU A 44 -9.796 8.564 -3.397 1.00 10.25 C ATOM 0 H LEU A 44 -12.286 6.094 -3.099 1.00 70.13 H new ATOM 0 HA LEU A 44 -10.995 7.418 -5.211 1.00 74.32 H new ATOM 0 HB2 LEU A 44 -10.133 5.143 -3.445 1.00 23.41 H new ATOM 0 HB3 LEU A 44 -9.076 5.993 -4.554 1.00 23.41 H new ATOM 0 HG LEU A 44 -10.402 7.034 -2.053 1.00 52.12 H new ATOM 0 HD11 LEU A 44 -8.099 7.651 -1.453 1.00 50.33 H new ATOM 0 HD12 LEU A 44 -8.265 5.907 -1.768 1.00 50.33 H new ATOM 0 HD13 LEU A 44 -7.520 6.965 -2.989 1.00 50.33 H new ATOM 0 HD21 LEU A 44 -9.578 9.283 -2.607 1.00 10.25 H new ATOM 0 HD22 LEU A 44 -9.094 8.703 -4.219 1.00 10.25 H new ATOM 0 HD23 LEU A 44 -10.813 8.720 -3.758 1.00 10.25 H new ATOM 789 N PRO A 45 -10.635 5.951 -7.174 1.00 31.11 N ATOM 790 CA PRO A 45 -10.645 5.182 -8.407 1.00 72.02 C ATOM 791 C PRO A 45 -9.679 3.998 -8.323 1.00 4.31 C ATOM 792 O PRO A 45 -8.885 3.906 -7.388 1.00 31.03 O ATOM 793 CB PRO A 45 -10.272 6.177 -9.494 1.00 14.10 C ATOM 794 CG PRO A 45 -9.617 7.348 -8.781 1.00 24.31 C ATOM 795 CD PRO A 45 -9.914 7.215 -7.296 1.00 12.34 C ATOM 0 HA PRO A 45 -11.616 4.731 -8.614 1.00 72.02 H new ATOM 0 HB2 PRO A 45 -9.590 5.729 -10.216 1.00 14.10 H new ATOM 0 HB3 PRO A 45 -11.154 6.500 -10.047 1.00 14.10 H new ATOM 0 HG2 PRO A 45 -8.541 7.348 -8.957 1.00 24.31 H new ATOM 0 HG3 PRO A 45 -10.003 8.293 -9.164 1.00 24.31 H new ATOM 0 HD2 PRO A 45 -8.996 7.206 -6.708 1.00 12.34 H new ATOM 0 HD3 PRO A 45 -10.515 8.050 -6.936 1.00 12.34 H new ATOM 803 N VAL A 46 -9.779 3.123 -9.313 1.00 55.41 N ATOM 804 CA VAL A 46 -8.924 1.949 -9.362 1.00 62.40 C ATOM 805 C VAL A 46 -7.508 2.371 -9.759 1.00 24.11 C ATOM 806 O VAL A 46 -7.287 2.848 -10.871 1.00 23.43 O ATOM 807 CB VAL A 46 -9.523 0.905 -10.307 1.00 71.25 C ATOM 808 CG1 VAL A 46 -9.858 1.523 -11.665 1.00 21.34 C ATOM 809 CG2 VAL A 46 -8.584 -0.293 -10.466 1.00 2.32 C ATOM 0 H VAL A 46 -10.439 3.203 -10.087 1.00 55.41 H new ATOM 0 HA VAL A 46 -8.861 1.481 -8.380 1.00 62.40 H new ATOM 0 HB VAL A 46 -10.452 0.546 -9.864 1.00 71.25 H new ATOM 0 HG11 VAL A 46 -10.282 0.760 -12.317 1.00 21.34 H new ATOM 0 HG12 VAL A 46 -10.581 2.328 -11.530 1.00 21.34 H new ATOM 0 HG13 VAL A 46 -8.950 1.923 -12.117 1.00 21.34 H new ATOM 0 HG21 VAL A 46 -9.033 -1.020 -11.142 1.00 2.32 H new ATOM 0 HG22 VAL A 46 -7.631 0.043 -10.875 1.00 2.32 H new ATOM 0 HG23 VAL A 46 -8.418 -0.756 -9.494 1.00 2.32 H new ATOM 819 N LEU A 47 -6.585 2.181 -8.827 1.00 70.21 N ATOM 820 CA LEU A 47 -5.196 2.537 -9.065 1.00 52.54 C ATOM 821 C LEU A 47 -4.813 2.149 -10.495 1.00 0.41 C ATOM 822 O LEU A 47 -5.359 1.197 -11.051 1.00 44.05 O ATOM 823 CB LEU A 47 -4.294 1.916 -7.997 1.00 21.34 C ATOM 824 CG LEU A 47 -3.273 2.856 -7.353 1.00 14.51 C ATOM 825 CD1 LEU A 47 -2.443 3.577 -8.418 1.00 51.34 C ATOM 826 CD2 LEU A 47 -3.956 3.838 -6.399 1.00 2.31 C ATOM 0 H LEU A 47 -6.772 1.785 -7.906 1.00 70.21 H new ATOM 0 HA LEU A 47 -5.058 3.615 -8.979 1.00 52.54 H new ATOM 0 HB2 LEU A 47 -4.926 1.504 -7.210 1.00 21.34 H new ATOM 0 HB3 LEU A 47 -3.757 1.080 -8.445 1.00 21.34 H new ATOM 0 HG LEU A 47 -2.584 2.255 -6.759 1.00 14.51 H new ATOM 0 HD11 LEU A 47 -1.725 4.239 -7.933 1.00 51.34 H new ATOM 0 HD12 LEU A 47 -1.910 2.843 -9.022 1.00 51.34 H new ATOM 0 HD13 LEU A 47 -3.102 4.163 -9.058 1.00 51.34 H new ATOM 0 HD21 LEU A 47 -3.207 4.494 -5.955 1.00 2.31 H new ATOM 0 HD22 LEU A 47 -4.682 4.436 -6.950 1.00 2.31 H new ATOM 0 HD23 LEU A 47 -4.466 3.284 -5.611 1.00 2.31 H new ATOM 838 N ASP A 48 -3.878 2.906 -11.049 1.00 34.23 N ATOM 839 CA ASP A 48 -3.415 2.653 -12.403 1.00 65.12 C ATOM 840 C ASP A 48 -2.723 1.290 -12.455 1.00 61.25 C ATOM 841 O ASP A 48 -2.915 0.527 -13.401 1.00 1.55 O ATOM 842 CB ASP A 48 -2.405 3.713 -12.847 1.00 32.20 C ATOM 843 CG ASP A 48 -2.171 3.790 -14.357 1.00 54.14 C ATOM 844 OD1 ASP A 48 -2.893 3.167 -15.148 1.00 11.32 O ATOM 845 OD2 ASP A 48 -1.184 4.539 -14.717 1.00 33.14 O ATOM 0 H ASP A 48 -3.428 3.695 -10.585 1.00 34.23 H new ATOM 0 HA ASP A 48 -4.280 2.679 -13.065 1.00 65.12 H new ATOM 0 HB2 ASP A 48 -2.746 4.687 -12.497 1.00 32.20 H new ATOM 0 HB3 ASP A 48 -1.452 3.514 -12.356 1.00 32.20 H new ATOM 851 N LYS A 49 -1.932 1.024 -11.425 1.00 34.30 N ATOM 852 CA LYS A 49 -1.210 -0.234 -11.342 1.00 13.11 C ATOM 853 C LYS A 49 -1.386 -0.826 -9.942 1.00 55.44 C ATOM 854 O LYS A 49 -1.826 -0.136 -9.023 1.00 64.03 O ATOM 855 CB LYS A 49 0.252 -0.041 -11.748 1.00 53.23 C ATOM 856 CG LYS A 49 0.357 0.550 -13.155 1.00 52.12 C ATOM 857 CD LYS A 49 0.486 2.074 -13.101 1.00 15.23 C ATOM 858 CE LYS A 49 1.914 2.515 -13.428 1.00 51.44 C ATOM 859 NZ LYS A 49 1.903 3.624 -14.408 1.00 4.25 N ATOM 0 H LYS A 49 -1.776 1.658 -10.642 1.00 34.30 H new ATOM 0 HA LYS A 49 -1.620 -0.956 -12.048 1.00 13.11 H new ATOM 0 HB2 LYS A 49 0.747 0.618 -11.035 1.00 53.23 H new ATOM 0 HB3 LYS A 49 0.773 -0.998 -11.712 1.00 53.23 H new ATOM 0 HG2 LYS A 49 1.220 0.126 -13.668 1.00 52.12 H new ATOM 0 HG3 LYS A 49 -0.524 0.276 -13.735 1.00 52.12 H new ATOM 0 HD2 LYS A 49 -0.209 2.527 -13.808 1.00 15.23 H new ATOM 0 HD3 LYS A 49 0.209 2.431 -12.109 1.00 15.23 H new ATOM 0 HE2 LYS A 49 2.420 2.832 -12.517 1.00 51.44 H new ATOM 0 HE3 LYS A 49 2.478 1.673 -13.829 1.00 51.44 H new ATOM 0 HZ1 LYS A 49 2.583 4.354 -14.114 1.00 4.25 H new ATOM 0 HZ2 LYS A 49 2.169 3.261 -15.346 1.00 4.25 H new ATOM 0 HZ3 LYS A 49 0.950 4.037 -14.454 1.00 4.25 H new ATOM 872 N THR A 50 -1.033 -2.098 -9.823 1.00 62.40 N ATOM 873 CA THR A 50 -1.146 -2.790 -8.550 1.00 12.42 C ATOM 874 C THR A 50 0.227 -2.914 -7.887 1.00 13.32 C ATOM 875 O THR A 50 0.335 -2.873 -6.662 1.00 13.53 O ATOM 876 CB THR A 50 -1.823 -4.138 -8.804 1.00 64.23 C ATOM 877 OG1 THR A 50 -2.809 -3.851 -9.792 1.00 33.22 O ATOM 878 CG2 THR A 50 -2.631 -4.624 -7.600 1.00 4.14 C ATOM 0 H THR A 50 -0.669 -2.667 -10.587 1.00 62.40 H new ATOM 0 HA THR A 50 -1.761 -2.228 -7.847 1.00 12.42 H new ATOM 0 HB THR A 50 -1.067 -4.881 -9.057 1.00 64.23 H new ATOM 0 HG1 THR A 50 -3.295 -4.672 -10.017 1.00 33.22 H new ATOM 0 HG21 THR A 50 -3.090 -5.584 -7.834 1.00 4.14 H new ATOM 0 HG22 THR A 50 -1.970 -4.737 -6.740 1.00 4.14 H new ATOM 0 HG23 THR A 50 -3.409 -3.897 -7.366 1.00 4.14 H new ATOM 886 N LYS A 51 1.242 -3.065 -8.725 1.00 63.11 N ATOM 887 CA LYS A 51 2.604 -3.196 -8.235 1.00 2.24 C ATOM 888 C LYS A 51 3.288 -1.828 -8.271 1.00 2.53 C ATOM 889 O LYS A 51 3.137 -1.080 -9.236 1.00 22.21 O ATOM 890 CB LYS A 51 3.352 -4.279 -9.015 1.00 62.34 C ATOM 891 CG LYS A 51 2.582 -5.600 -8.995 1.00 12.21 C ATOM 892 CD LYS A 51 3.472 -6.761 -9.443 1.00 14.34 C ATOM 893 CE LYS A 51 3.451 -6.913 -10.965 1.00 70.11 C ATOM 894 NZ LYS A 51 2.059 -6.895 -11.468 1.00 74.50 N ATOM 0 H LYS A 51 1.149 -3.100 -9.740 1.00 63.11 H new ATOM 0 HA LYS A 51 2.605 -3.526 -7.196 1.00 2.24 H new ATOM 0 HB2 LYS A 51 3.498 -3.955 -10.045 1.00 62.34 H new ATOM 0 HB3 LYS A 51 4.342 -4.425 -8.583 1.00 62.34 H new ATOM 0 HG2 LYS A 51 2.207 -5.791 -7.989 1.00 12.21 H new ATOM 0 HG3 LYS A 51 1.714 -5.529 -9.650 1.00 12.21 H new ATOM 0 HD2 LYS A 51 4.494 -6.591 -9.105 1.00 14.34 H new ATOM 0 HD3 LYS A 51 3.131 -7.686 -8.977 1.00 14.34 H new ATOM 0 HE2 LYS A 51 4.021 -6.106 -11.425 1.00 70.11 H new ATOM 0 HE3 LYS A 51 3.935 -7.847 -11.250 1.00 70.11 H new ATOM 0 HZ1 LYS A 51 1.983 -7.512 -12.301 1.00 74.50 H new ATOM 0 HZ2 LYS A 51 1.417 -7.236 -10.725 1.00 74.50 H new ATOM 0 HZ3 LYS A 51 1.798 -5.924 -11.732 1.00 74.50 H new ATOM 907 N PHE A 52 4.025 -1.542 -7.208 1.00 55.52 N ATOM 908 CA PHE A 52 4.733 -0.277 -7.106 1.00 12.53 C ATOM 909 C PHE A 52 6.131 -0.477 -6.517 1.00 23.41 C ATOM 910 O PHE A 52 6.285 -1.124 -5.482 1.00 20.35 O ATOM 911 CB PHE A 52 3.919 0.616 -6.168 1.00 64.54 C ATOM 912 CG PHE A 52 2.503 0.914 -6.665 1.00 42.21 C ATOM 913 CD1 PHE A 52 1.552 -0.057 -6.628 1.00 50.44 C ATOM 914 CD2 PHE A 52 2.196 2.149 -7.143 1.00 55.41 C ATOM 915 CE1 PHE A 52 0.237 0.219 -7.089 1.00 5.33 C ATOM 916 CE2 PHE A 52 0.882 2.426 -7.604 1.00 50.35 C ATOM 917 CZ PHE A 52 -0.070 1.455 -7.568 1.00 13.42 C ATOM 0 H PHE A 52 4.147 -2.165 -6.409 1.00 55.52 H new ATOM 0 HA PHE A 52 4.846 0.168 -8.095 1.00 12.53 H new ATOM 0 HB2 PHE A 52 3.857 0.137 -5.191 1.00 64.54 H new ATOM 0 HB3 PHE A 52 4.450 1.558 -6.028 1.00 64.54 H new ATOM 0 HD1 PHE A 52 1.796 -1.038 -6.248 1.00 50.44 H new ATOM 0 HD2 PHE A 52 2.952 2.920 -7.172 1.00 55.41 H new ATOM 0 HE1 PHE A 52 -0.519 -0.552 -7.059 1.00 5.33 H new ATOM 0 HE2 PHE A 52 0.638 3.407 -7.983 1.00 50.35 H new ATOM 0 HZ PHE A 52 -1.069 1.665 -7.920 1.00 13.42 H new ATOM 927 N LEU A 53 7.113 0.091 -7.200 1.00 0.05 N ATOM 928 CA LEU A 53 8.493 -0.017 -6.757 1.00 15.10 C ATOM 929 C LEU A 53 8.858 1.221 -5.934 1.00 53.33 C ATOM 930 O LEU A 53 9.078 2.296 -6.488 1.00 23.21 O ATOM 931 CB LEU A 53 9.421 -0.258 -7.949 1.00 22.22 C ATOM 932 CG LEU A 53 9.202 -1.562 -8.717 1.00 23.31 C ATOM 933 CD1 LEU A 53 10.518 -2.087 -9.295 1.00 34.22 C ATOM 934 CD2 LEU A 53 8.505 -2.605 -7.840 1.00 70.04 C ATOM 0 H LEU A 53 6.981 0.628 -8.057 1.00 0.05 H new ATOM 0 HA LEU A 53 8.618 -0.882 -6.106 1.00 15.10 H new ATOM 0 HB2 LEU A 53 9.309 0.573 -8.645 1.00 22.22 H new ATOM 0 HB3 LEU A 53 10.451 -0.238 -7.592 1.00 22.22 H new ATOM 0 HG LEU A 53 8.541 -1.355 -9.559 1.00 23.31 H new ATOM 0 HD11 LEU A 53 10.333 -3.015 -9.836 1.00 34.22 H new ATOM 0 HD12 LEU A 53 10.937 -1.347 -9.977 1.00 34.22 H new ATOM 0 HD13 LEU A 53 11.223 -2.274 -8.485 1.00 34.22 H new ATOM 0 HD21 LEU A 53 8.361 -3.523 -8.410 1.00 70.04 H new ATOM 0 HD22 LEU A 53 9.120 -2.814 -6.965 1.00 70.04 H new ATOM 0 HD23 LEU A 53 7.536 -2.222 -7.519 1.00 70.04 H new ATOM 946 N VAL A 54 8.909 1.026 -4.625 1.00 12.25 N ATOM 947 CA VAL A 54 9.244 2.113 -3.720 1.00 54.11 C ATOM 948 C VAL A 54 10.755 2.126 -3.481 1.00 53.14 C ATOM 949 O VAL A 54 11.378 1.071 -3.372 1.00 2.34 O ATOM 950 CB VAL A 54 8.435 1.985 -2.427 1.00 50.23 C ATOM 951 CG1 VAL A 54 8.362 3.324 -1.691 1.00 52.41 C ATOM 952 CG2 VAL A 54 7.035 1.437 -2.708 1.00 33.12 C ATOM 0 H VAL A 54 8.724 0.132 -4.169 1.00 12.25 H new ATOM 0 HA VAL A 54 8.977 3.073 -4.161 1.00 54.11 H new ATOM 0 HB VAL A 54 8.949 1.275 -1.780 1.00 50.23 H new ATOM 0 HG11 VAL A 54 7.782 3.205 -0.776 1.00 52.41 H new ATOM 0 HG12 VAL A 54 9.369 3.657 -1.441 1.00 52.41 H new ATOM 0 HG13 VAL A 54 7.883 4.065 -2.331 1.00 52.41 H new ATOM 0 HG21 VAL A 54 6.481 1.356 -1.773 1.00 33.12 H new ATOM 0 HG22 VAL A 54 6.509 2.112 -3.384 1.00 33.12 H new ATOM 0 HG23 VAL A 54 7.115 0.452 -3.168 1.00 33.12 H new ATOM 962 N PRO A 55 11.314 3.363 -3.404 1.00 45.33 N ATOM 963 CA PRO A 55 12.740 3.527 -3.180 1.00 0.21 C ATOM 964 C PRO A 55 13.104 3.234 -1.723 1.00 50.22 C ATOM 965 O PRO A 55 12.418 3.684 -0.806 1.00 54.10 O ATOM 966 CB PRO A 55 13.041 4.959 -3.591 1.00 72.21 C ATOM 967 CG PRO A 55 11.704 5.683 -3.587 1.00 64.33 C ATOM 968 CD PRO A 55 10.606 4.634 -3.528 1.00 22.13 C ATOM 0 HA PRO A 55 13.340 2.826 -3.760 1.00 0.21 H new ATOM 0 HB2 PRO A 55 13.740 5.426 -2.897 1.00 72.21 H new ATOM 0 HB3 PRO A 55 13.501 4.994 -4.579 1.00 72.21 H new ATOM 0 HG2 PRO A 55 11.636 6.355 -2.731 1.00 64.33 H new ATOM 0 HG3 PRO A 55 11.599 6.296 -4.482 1.00 64.33 H new ATOM 0 HD2 PRO A 55 9.943 4.802 -2.680 1.00 22.13 H new ATOM 0 HD3 PRO A 55 9.988 4.657 -4.425 1.00 22.13 H new ATOM 976 N ASP A 56 14.181 2.482 -1.555 1.00 15.23 N ATOM 977 CA ASP A 56 14.644 2.123 -0.225 1.00 24.22 C ATOM 978 C ASP A 56 15.572 3.221 0.300 1.00 33.22 C ATOM 979 O ASP A 56 16.642 2.931 0.834 1.00 24.04 O ATOM 980 CB ASP A 56 15.430 0.811 -0.250 1.00 14.44 C ATOM 981 CG ASP A 56 16.859 0.924 -0.787 1.00 63.42 C ATOM 982 OD1 ASP A 56 17.106 1.575 -1.812 1.00 73.21 O ATOM 983 OD2 ASP A 56 17.751 0.298 -0.096 1.00 53.21 O ATOM 0 H ASP A 56 14.747 2.111 -2.318 1.00 15.23 H new ATOM 0 HA ASP A 56 13.770 2.007 0.416 1.00 24.22 H new ATOM 0 HB2 ASP A 56 15.469 0.409 0.762 1.00 14.44 H new ATOM 0 HB3 ASP A 56 14.885 0.090 -0.859 1.00 14.44 H new ATOM 989 N HIS A 57 15.129 4.458 0.130 1.00 42.54 N ATOM 990 CA HIS A 57 15.906 5.600 0.580 1.00 33.12 C ATOM 991 C HIS A 57 14.966 6.754 0.933 1.00 34.15 C ATOM 992 O HIS A 57 15.380 7.912 0.955 1.00 74.42 O ATOM 993 CB HIS A 57 16.956 5.988 -0.463 1.00 42.14 C ATOM 994 CG HIS A 57 16.460 6.972 -1.496 1.00 61.13 C ATOM 995 ND1 HIS A 57 15.123 7.097 -1.832 1.00 2.30 N ATOM 996 CD2 HIS A 57 17.136 7.876 -2.262 1.00 44.01 C ATOM 997 CE1 HIS A 57 15.011 8.036 -2.760 1.00 52.24 C ATOM 998 NE2 HIS A 57 16.259 8.517 -3.025 1.00 2.34 N ATOM 0 H HIS A 57 14.241 4.694 -0.313 1.00 42.54 H new ATOM 0 HA HIS A 57 16.456 5.336 1.483 1.00 33.12 H new ATOM 0 HB2 HIS A 57 17.819 6.416 0.047 1.00 42.14 H new ATOM 0 HB3 HIS A 57 17.300 5.087 -0.970 1.00 42.14 H new ATOM 0 HD2 HIS A 57 18.203 8.042 -2.250 1.00 44.01 H new ATOM 0 HE1 HIS A 57 14.093 8.363 -3.225 1.00 52.24 H new ATOM 0 HE2 HIS A 57 16.482 9.249 -3.699 1.00 2.34 H new ATOM 1006 N VAL A 58 13.718 6.398 1.201 1.00 51.30 N ATOM 1007 CA VAL A 58 12.716 7.389 1.551 1.00 21.42 C ATOM 1008 C VAL A 58 11.875 6.867 2.719 1.00 52.34 C ATOM 1009 O VAL A 58 12.232 5.874 3.350 1.00 3.12 O ATOM 1010 CB VAL A 58 11.876 7.742 0.322 1.00 42.54 C ATOM 1011 CG1 VAL A 58 12.746 8.354 -0.779 1.00 63.40 C ATOM 1012 CG2 VAL A 58 11.119 6.517 -0.195 1.00 52.14 C ATOM 0 H VAL A 58 13.378 5.436 1.183 1.00 51.30 H new ATOM 0 HA VAL A 58 13.192 8.313 1.879 1.00 21.42 H new ATOM 0 HB VAL A 58 11.140 8.488 0.622 1.00 42.54 H new ATOM 0 HG11 VAL A 58 12.125 8.596 -1.641 1.00 63.40 H new ATOM 0 HG12 VAL A 58 13.219 9.263 -0.406 1.00 63.40 H new ATOM 0 HG13 VAL A 58 13.515 7.640 -1.074 1.00 63.40 H new ATOM 0 HG21 VAL A 58 10.530 6.795 -1.069 1.00 52.14 H new ATOM 0 HG22 VAL A 58 11.831 5.739 -0.470 1.00 52.14 H new ATOM 0 HG23 VAL A 58 10.456 6.143 0.585 1.00 52.14 H new ATOM 1022 N ASN A 59 10.775 7.561 2.971 1.00 3.10 N ATOM 1023 CA ASN A 59 9.881 7.181 4.051 1.00 53.34 C ATOM 1024 C ASN A 59 8.532 6.759 3.467 1.00 32.55 C ATOM 1025 O ASN A 59 8.131 7.243 2.409 1.00 53.32 O ATOM 1026 CB ASN A 59 9.639 8.353 5.004 1.00 31.55 C ATOM 1027 CG ASN A 59 10.097 9.672 4.379 1.00 54.00 C ATOM 1028 OD1 ASN A 59 11.171 10.180 4.656 1.00 22.23 O ATOM 1029 ND2 ASN A 59 9.226 10.196 3.521 1.00 14.31 N ATOM 0 H ASN A 59 10.483 8.385 2.445 1.00 3.10 H new ATOM 0 HA ASN A 59 10.344 6.361 4.599 1.00 53.34 H new ATOM 0 HB2 ASN A 59 8.579 8.412 5.251 1.00 31.55 H new ATOM 0 HB3 ASN A 59 10.175 8.184 5.938 1.00 31.55 H new ATOM 0 HD21 ASN A 59 9.440 11.075 3.050 1.00 14.31 H new ATOM 0 HD22 ASN A 59 8.344 9.719 3.334 1.00 14.31 H new ATOM 1036 N MET A 60 7.868 5.862 4.180 1.00 53.42 N ATOM 1037 CA MET A 60 6.572 5.370 3.745 1.00 63.50 C ATOM 1038 C MET A 60 5.680 6.519 3.270 1.00 72.03 C ATOM 1039 O MET A 60 4.809 6.325 2.424 1.00 33.53 O ATOM 1040 CB MET A 60 5.889 4.639 4.903 1.00 54.13 C ATOM 1041 CG MET A 60 5.204 5.628 5.848 1.00 71.53 C ATOM 1042 SD MET A 60 3.550 5.976 5.274 1.00 50.24 S ATOM 1043 CE MET A 60 2.902 4.315 5.170 1.00 24.12 C ATOM 0 H MET A 60 8.203 5.463 5.057 1.00 53.42 H new ATOM 0 HA MET A 60 6.726 4.686 2.911 1.00 63.50 H new ATOM 0 HB2 MET A 60 5.154 3.936 4.511 1.00 54.13 H new ATOM 0 HB3 MET A 60 6.626 4.055 5.454 1.00 54.13 H new ATOM 0 HG2 MET A 60 5.168 5.215 6.856 1.00 71.53 H new ATOM 0 HG3 MET A 60 5.781 6.551 5.902 1.00 71.53 H new ATOM 0 HE1 MET A 60 1.814 4.351 5.123 1.00 24.12 H new ATOM 0 HE2 MET A 60 3.288 3.829 4.274 1.00 24.12 H new ATOM 0 HE3 MET A 60 3.208 3.749 6.050 1.00 24.12 H new ATOM 1053 N SER A 61 5.929 7.692 3.835 1.00 31.15 N ATOM 1054 CA SER A 61 5.160 8.872 3.480 1.00 60.52 C ATOM 1055 C SER A 61 5.224 9.103 1.969 1.00 5.42 C ATOM 1056 O SER A 61 4.194 9.274 1.319 1.00 42.35 O ATOM 1057 CB SER A 61 5.669 10.106 4.228 1.00 24.14 C ATOM 1058 OG SER A 61 5.631 11.276 3.415 1.00 33.42 O ATOM 0 H SER A 61 6.653 7.850 4.536 1.00 31.15 H new ATOM 0 HA SER A 61 4.123 8.706 3.772 1.00 60.52 H new ATOM 0 HB2 SER A 61 5.063 10.265 5.120 1.00 24.14 H new ATOM 0 HB3 SER A 61 6.691 9.931 4.564 1.00 24.14 H new ATOM 0 HG SER A 61 5.962 12.042 3.929 1.00 33.42 H new ATOM 1064 N GLU A 62 6.445 9.101 1.454 1.00 43.34 N ATOM 1065 CA GLU A 62 6.657 9.309 0.031 1.00 62.30 C ATOM 1066 C GLU A 62 5.643 8.499 -0.780 1.00 2.22 C ATOM 1067 O GLU A 62 4.893 9.059 -1.578 1.00 1.22 O ATOM 1068 CB GLU A 62 8.090 8.950 -0.368 1.00 23.32 C ATOM 1069 CG GLU A 62 9.011 10.167 -0.258 1.00 33.21 C ATOM 1070 CD GLU A 62 8.500 11.320 -1.124 1.00 21.13 C ATOM 1071 OE1 GLU A 62 8.981 12.455 -0.990 1.00 65.32 O ATOM 1072 OE2 GLU A 62 7.570 11.004 -1.960 1.00 22.24 O ATOM 0 H GLU A 62 7.297 8.959 1.996 1.00 43.34 H new ATOM 0 HA GLU A 62 6.508 10.366 -0.188 1.00 62.30 H new ATOM 0 HB2 GLU A 62 8.460 8.150 0.273 1.00 23.32 H new ATOM 0 HB3 GLU A 62 8.103 8.571 -1.390 1.00 23.32 H new ATOM 0 HG2 GLU A 62 9.073 10.488 0.782 1.00 33.21 H new ATOM 0 HG3 GLU A 62 10.020 9.894 -0.568 1.00 33.21 H new ATOM 1080 N LEU A 63 5.653 7.195 -0.548 1.00 75.35 N ATOM 1081 CA LEU A 63 4.744 6.303 -1.248 1.00 71.31 C ATOM 1082 C LEU A 63 3.370 6.967 -1.357 1.00 34.30 C ATOM 1083 O LEU A 63 2.695 6.841 -2.378 1.00 74.31 O ATOM 1084 CB LEU A 63 4.712 4.932 -0.571 1.00 53.52 C ATOM 1085 CG LEU A 63 3.448 4.100 -0.798 1.00 3.21 C ATOM 1086 CD1 LEU A 63 3.284 3.745 -2.277 1.00 21.14 C ATOM 1087 CD2 LEU A 63 3.441 2.858 0.094 1.00 23.34 C ATOM 0 H LEU A 63 6.276 6.734 0.115 1.00 75.35 H new ATOM 0 HA LEU A 63 5.094 6.123 -2.264 1.00 71.31 H new ATOM 0 HB2 LEU A 63 5.569 4.356 -0.920 1.00 53.52 H new ATOM 0 HB3 LEU A 63 4.840 5.076 0.502 1.00 53.52 H new ATOM 0 HG LEU A 63 2.586 4.704 -0.514 1.00 3.21 H new ATOM 0 HD11 LEU A 63 2.378 3.154 -2.411 1.00 21.14 H new ATOM 0 HD12 LEU A 63 3.210 4.660 -2.865 1.00 21.14 H new ATOM 0 HD13 LEU A 63 4.147 3.168 -2.611 1.00 21.14 H new ATOM 0 HD21 LEU A 63 2.532 2.285 -0.087 1.00 23.34 H new ATOM 0 HD22 LEU A 63 4.310 2.241 -0.134 1.00 23.34 H new ATOM 0 HD23 LEU A 63 3.476 3.161 1.140 1.00 23.34 H new ATOM 1099 N ILE A 64 2.996 7.659 -0.291 1.00 23.04 N ATOM 1100 CA ILE A 64 1.714 8.343 -0.255 1.00 61.52 C ATOM 1101 C ILE A 64 1.686 9.422 -1.339 1.00 62.30 C ATOM 1102 O ILE A 64 0.889 9.348 -2.273 1.00 14.00 O ATOM 1103 CB ILE A 64 1.431 8.876 1.151 1.00 21.21 C ATOM 1104 CG1 ILE A 64 1.811 7.844 2.215 1.00 50.20 C ATOM 1105 CG2 ILE A 64 -0.026 9.326 1.283 1.00 30.13 C ATOM 1106 CD1 ILE A 64 1.295 6.454 1.840 1.00 54.44 C ATOM 0 H ILE A 64 3.558 7.761 0.554 1.00 23.04 H new ATOM 0 HA ILE A 64 0.904 7.647 -0.476 1.00 61.52 H new ATOM 0 HB ILE A 64 2.056 9.754 1.316 1.00 21.21 H new ATOM 0 HG12 ILE A 64 2.895 7.815 2.328 1.00 50.20 H new ATOM 0 HG13 ILE A 64 1.398 8.141 3.179 1.00 50.20 H new ATOM 0 HG21 ILE A 64 -0.201 9.701 2.292 1.00 30.13 H new ATOM 0 HG22 ILE A 64 -0.229 10.117 0.562 1.00 30.13 H new ATOM 0 HG23 ILE A 64 -0.687 8.481 1.090 1.00 30.13 H new ATOM 0 HD11 ILE A 64 1.579 5.740 2.613 1.00 54.44 H new ATOM 0 HD12 ILE A 64 0.209 6.481 1.752 1.00 54.44 H new ATOM 0 HD13 ILE A 64 1.729 6.149 0.888 1.00 54.44 H new ATOM 1118 N LYS A 65 2.564 10.401 -1.178 1.00 65.21 N ATOM 1119 CA LYS A 65 2.650 11.494 -2.131 1.00 4.50 C ATOM 1120 C LYS A 65 2.781 10.923 -3.545 1.00 41.42 C ATOM 1121 O LYS A 65 2.456 11.596 -4.522 1.00 64.31 O ATOM 1122 CB LYS A 65 3.780 12.452 -1.748 1.00 50.41 C ATOM 1123 CG LYS A 65 3.571 13.010 -0.339 1.00 31.50 C ATOM 1124 CD LYS A 65 4.670 14.011 0.023 1.00 14.42 C ATOM 1125 CE LYS A 65 5.006 14.910 -1.169 1.00 43.24 C ATOM 1126 NZ LYS A 65 5.644 16.164 -0.709 1.00 21.21 N ATOM 0 H LYS A 65 3.222 10.460 -0.401 1.00 65.21 H new ATOM 0 HA LYS A 65 1.737 12.090 -2.110 1.00 4.50 H new ATOM 0 HB2 LYS A 65 4.736 11.931 -1.799 1.00 50.41 H new ATOM 0 HB3 LYS A 65 3.825 13.272 -2.465 1.00 50.41 H new ATOM 0 HG2 LYS A 65 2.597 13.496 -0.277 1.00 31.50 H new ATOM 0 HG3 LYS A 65 3.566 12.193 0.383 1.00 31.50 H new ATOM 0 HD2 LYS A 65 4.347 14.623 0.865 1.00 14.42 H new ATOM 0 HD3 LYS A 65 5.564 13.475 0.343 1.00 14.42 H new ATOM 0 HE2 LYS A 65 5.674 14.384 -1.852 1.00 43.24 H new ATOM 0 HE3 LYS A 65 4.098 15.140 -1.726 1.00 43.24 H new ATOM 0 HZ1 LYS A 65 5.865 16.762 -1.530 1.00 21.21 H new ATOM 0 HZ2 LYS A 65 4.994 16.672 -0.076 1.00 21.21 H new ATOM 0 HZ3 LYS A 65 6.521 15.940 -0.197 1.00 21.21 H new ATOM 1139 N ILE A 66 3.257 9.689 -3.608 1.00 54.04 N ATOM 1140 CA ILE A 66 3.435 9.020 -4.886 1.00 32.11 C ATOM 1141 C ILE A 66 2.081 8.510 -5.382 1.00 63.23 C ATOM 1142 O ILE A 66 1.727 8.706 -6.544 1.00 3.21 O ATOM 1143 CB ILE A 66 4.501 7.928 -4.775 1.00 32.41 C ATOM 1144 CG1 ILE A 66 5.824 8.503 -4.267 1.00 34.42 C ATOM 1145 CG2 ILE A 66 4.669 7.189 -6.105 1.00 33.32 C ATOM 1146 CD1 ILE A 66 6.719 8.932 -5.432 1.00 42.45 C ATOM 0 H ILE A 66 3.525 9.134 -2.795 1.00 54.04 H new ATOM 0 HA ILE A 66 3.806 9.720 -5.635 1.00 32.11 H new ATOM 0 HB ILE A 66 4.166 7.196 -4.040 1.00 32.41 H new ATOM 0 HG12 ILE A 66 5.628 9.358 -3.620 1.00 34.42 H new ATOM 0 HG13 ILE A 66 6.340 7.757 -3.662 1.00 34.42 H new ATOM 0 HG21 ILE A 66 5.432 6.418 -5.999 1.00 33.32 H new ATOM 0 HG22 ILE A 66 3.723 6.727 -6.386 1.00 33.32 H new ATOM 0 HG23 ILE A 66 4.972 7.895 -6.878 1.00 33.32 H new ATOM 0 HD11 ILE A 66 7.653 9.337 -5.043 1.00 42.45 H new ATOM 0 HD12 ILE A 66 6.933 8.070 -6.063 1.00 42.45 H new ATOM 0 HD13 ILE A 66 6.210 9.695 -6.020 1.00 42.45 H new ATOM 1158 N ILE A 67 1.359 7.865 -4.477 1.00 34.24 N ATOM 1159 CA ILE A 67 0.052 7.325 -4.809 1.00 32.34 C ATOM 1160 C ILE A 67 -0.835 8.446 -5.353 1.00 73.40 C ATOM 1161 O ILE A 67 -1.372 8.339 -6.455 1.00 52.31 O ATOM 1162 CB ILE A 67 -0.548 6.597 -3.604 1.00 45.44 C ATOM 1163 CG1 ILE A 67 0.149 5.255 -3.372 1.00 52.04 C ATOM 1164 CG2 ILE A 67 -2.062 6.437 -3.758 1.00 30.32 C ATOM 1165 CD1 ILE A 67 0.062 4.369 -4.616 1.00 74.11 C ATOM 0 H ILE A 67 1.655 7.704 -3.514 1.00 34.24 H new ATOM 0 HA ILE A 67 0.138 6.576 -5.596 1.00 32.34 H new ATOM 0 HB ILE A 67 -0.377 7.207 -2.717 1.00 45.44 H new ATOM 0 HG12 ILE A 67 1.194 5.424 -3.114 1.00 52.04 H new ATOM 0 HG13 ILE A 67 -0.310 4.745 -2.525 1.00 52.04 H new ATOM 0 HG21 ILE A 67 -2.463 5.917 -2.888 1.00 30.32 H new ATOM 0 HG22 ILE A 67 -2.525 7.420 -3.838 1.00 30.32 H new ATOM 0 HG23 ILE A 67 -2.277 5.860 -4.657 1.00 30.32 H new ATOM 0 HD11 ILE A 67 0.565 3.421 -4.424 1.00 74.11 H new ATOM 0 HD12 ILE A 67 -0.984 4.182 -4.857 1.00 74.11 H new ATOM 0 HD13 ILE A 67 0.543 4.872 -5.455 1.00 74.11 H new ATOM 1177 N ARG A 68 -0.962 9.497 -4.556 1.00 44.40 N ATOM 1178 CA ARG A 68 -1.774 10.638 -4.945 1.00 13.42 C ATOM 1179 C ARG A 68 -1.570 10.955 -6.427 1.00 51.22 C ATOM 1180 O ARG A 68 -2.536 11.113 -7.171 1.00 0.23 O ATOM 1181 CB ARG A 68 -1.424 11.873 -4.112 1.00 13.44 C ATOM 1182 CG ARG A 68 -1.135 11.491 -2.659 1.00 12.22 C ATOM 1183 CD ARG A 68 -1.590 12.594 -1.701 1.00 24.23 C ATOM 1184 NE ARG A 68 -3.062 12.740 -1.761 1.00 63.13 N ATOM 1185 CZ ARG A 68 -3.750 13.722 -1.141 1.00 75.11 C ATOM 1186 NH1 ARG A 68 -3.105 14.655 -0.410 1.00 73.42 N ATOM 1187 NH2 ARG A 68 -5.064 13.756 -1.262 1.00 64.55 N ATOM 0 H ARG A 68 -0.516 9.582 -3.643 1.00 44.40 H new ATOM 0 HA ARG A 68 -2.817 10.378 -4.767 1.00 13.42 H new ATOM 0 HB2 ARG A 68 -0.554 12.371 -4.541 1.00 13.44 H new ATOM 0 HB3 ARG A 68 -2.248 12.585 -4.147 1.00 13.44 H new ATOM 0 HG2 ARG A 68 -1.646 10.559 -2.416 1.00 12.22 H new ATOM 0 HG3 ARG A 68 -0.067 11.312 -2.532 1.00 12.22 H new ATOM 0 HD2 ARG A 68 -1.281 12.354 -0.684 1.00 24.23 H new ATOM 0 HD3 ARG A 68 -1.112 13.537 -1.965 1.00 24.23 H new ATOM 0 HE ARG A 68 -3.589 12.056 -2.304 1.00 63.13 H new ATOM 0 HH11 ARG A 68 -2.089 14.622 -0.322 1.00 73.42 H new ATOM 0 HH12 ARG A 68 -3.633 15.393 0.055 1.00 73.42 H new ATOM 0 HH21 ARG A 68 -5.544 13.047 -1.817 1.00 64.55 H new ATOM 0 HH22 ARG A 68 -5.600 14.491 -0.800 1.00 64.55 H new ATOM 1200 N ARG A 69 -0.305 11.039 -6.812 1.00 52.40 N ATOM 1201 CA ARG A 69 0.039 11.335 -8.192 1.00 45.24 C ATOM 1202 C ARG A 69 -0.663 10.357 -9.136 1.00 0.14 C ATOM 1203 O ARG A 69 -1.193 10.759 -10.171 1.00 4.20 O ATOM 1204 CB ARG A 69 1.551 11.250 -8.414 1.00 70.32 C ATOM 1205 CG ARG A 69 2.276 12.388 -7.693 1.00 44.21 C ATOM 1206 CD ARG A 69 1.684 13.745 -8.078 1.00 0.22 C ATOM 1207 NE ARG A 69 0.649 14.142 -7.097 1.00 10.40 N ATOM 1208 CZ ARG A 69 0.888 14.343 -5.783 1.00 73.23 C ATOM 1209 NH1 ARG A 69 2.131 14.185 -5.282 1.00 43.44 N ATOM 1210 NH2 ARG A 69 -0.112 14.696 -4.997 1.00 11.44 N ATOM 0 H ARG A 69 0.494 10.907 -6.192 1.00 52.40 H new ATOM 0 HA ARG A 69 -0.292 12.352 -8.405 1.00 45.24 H new ATOM 0 HB2 ARG A 69 1.922 10.291 -8.052 1.00 70.32 H new ATOM 0 HB3 ARG A 69 1.768 11.294 -9.481 1.00 70.32 H new ATOM 0 HG2 ARG A 69 2.201 12.247 -6.615 1.00 44.21 H new ATOM 0 HG3 ARG A 69 3.336 12.365 -7.944 1.00 44.21 H new ATOM 0 HD2 ARG A 69 2.471 14.498 -8.113 1.00 0.22 H new ATOM 0 HD3 ARG A 69 1.249 13.692 -9.076 1.00 0.22 H new ATOM 0 HE ARG A 69 -0.305 14.272 -7.435 1.00 10.40 H new ATOM 0 HH11 ARG A 69 2.898 13.912 -5.897 1.00 43.44 H new ATOM 0 HH12 ARG A 69 2.304 14.339 -4.289 1.00 43.44 H new ATOM 0 HH21 ARG A 69 -1.048 14.813 -5.384 1.00 11.44 H new ATOM 0 HH22 ARG A 69 0.052 14.852 -4.002 1.00 11.44 H new ATOM 1223 N ARG A 70 -0.645 9.091 -8.746 1.00 44.14 N ATOM 1224 CA ARG A 70 -1.274 8.053 -9.544 1.00 12.55 C ATOM 1225 C ARG A 70 -2.785 8.282 -9.618 1.00 23.22 C ATOM 1226 O ARG A 70 -3.356 8.332 -10.707 1.00 5.20 O ATOM 1227 CB ARG A 70 -1.004 6.666 -8.955 1.00 25.13 C ATOM 1228 CG ARG A 70 0.339 6.117 -9.439 1.00 50.40 C ATOM 1229 CD ARG A 70 1.437 6.359 -8.401 1.00 24.25 C ATOM 1230 NE ARG A 70 2.378 7.390 -8.891 1.00 54.32 N ATOM 1231 CZ ARG A 70 3.063 7.300 -10.051 1.00 71.15 C ATOM 1232 NH1 ARG A 70 2.916 6.222 -10.851 1.00 51.00 N ATOM 1233 NH2 ARG A 70 3.879 8.280 -10.391 1.00 40.12 N ATOM 0 H ARG A 70 -0.204 8.761 -7.887 1.00 44.14 H new ATOM 0 HA ARG A 70 -0.846 8.100 -10.546 1.00 12.55 H new ATOM 0 HB2 ARG A 70 -1.007 6.722 -7.866 1.00 25.13 H new ATOM 0 HB3 ARG A 70 -1.804 5.983 -9.241 1.00 25.13 H new ATOM 0 HG2 ARG A 70 0.249 5.049 -9.636 1.00 50.40 H new ATOM 0 HG3 ARG A 70 0.612 6.593 -10.381 1.00 50.40 H new ATOM 0 HD2 ARG A 70 0.993 6.678 -7.458 1.00 24.25 H new ATOM 0 HD3 ARG A 70 1.973 5.431 -8.203 1.00 24.25 H new ATOM 0 HE ARG A 70 2.518 8.221 -8.316 1.00 54.32 H new ATOM 0 HH11 ARG A 70 2.284 5.469 -10.580 1.00 51.00 H new ATOM 0 HH12 ARG A 70 3.437 6.161 -11.726 1.00 51.00 H new ATOM 0 HH21 ARG A 70 3.985 9.090 -9.781 1.00 40.12 H new ATOM 0 HH22 ARG A 70 4.404 8.227 -11.264 1.00 40.12 H new ATOM 1246 N LEU A 71 -3.390 8.416 -8.447 1.00 54.34 N ATOM 1247 CA LEU A 71 -4.823 8.639 -8.366 1.00 61.25 C ATOM 1248 C LEU A 71 -5.155 10.012 -8.953 1.00 45.53 C ATOM 1249 O LEU A 71 -6.309 10.293 -9.271 1.00 31.41 O ATOM 1250 CB LEU A 71 -5.315 8.449 -6.930 1.00 11.24 C ATOM 1251 CG LEU A 71 -5.249 7.022 -6.382 1.00 72.23 C ATOM 1252 CD1 LEU A 71 -5.384 7.013 -4.858 1.00 40.55 C ATOM 1253 CD2 LEU A 71 -6.292 6.127 -7.055 1.00 31.15 C ATOM 0 H LEU A 71 -2.913 8.374 -7.546 1.00 54.34 H new ATOM 0 HA LEU A 71 -5.358 7.899 -8.962 1.00 61.25 H new ATOM 0 HB2 LEU A 71 -4.728 9.095 -6.277 1.00 11.24 H new ATOM 0 HB3 LEU A 71 -6.348 8.792 -6.873 1.00 11.24 H new ATOM 0 HG LEU A 71 -4.269 6.610 -6.621 1.00 72.23 H new ATOM 0 HD11 LEU A 71 -5.334 5.987 -4.494 1.00 40.55 H new ATOM 0 HD12 LEU A 71 -4.574 7.594 -4.418 1.00 40.55 H new ATOM 0 HD13 LEU A 71 -6.341 7.452 -4.575 1.00 40.55 H new ATOM 0 HD21 LEU A 71 -6.224 5.118 -6.647 1.00 31.15 H new ATOM 0 HD22 LEU A 71 -7.289 6.527 -6.869 1.00 31.15 H new ATOM 0 HD23 LEU A 71 -6.108 6.097 -8.129 1.00 31.15 H new ATOM 1265 N GLN A 72 -4.122 10.832 -9.078 1.00 1.14 N ATOM 1266 CA GLN A 72 -4.289 12.170 -9.621 1.00 2.32 C ATOM 1267 C GLN A 72 -5.599 12.784 -9.124 1.00 41.52 C ATOM 1268 O GLN A 72 -6.440 13.193 -9.923 1.00 73.52 O ATOM 1269 CB GLN A 72 -4.238 12.151 -11.150 1.00 45.04 C ATOM 1270 CG GLN A 72 -5.308 11.221 -11.723 1.00 10.21 C ATOM 1271 CD GLN A 72 -5.401 11.364 -13.244 1.00 21.30 C ATOM 1272 OE1 GLN A 72 -5.170 12.420 -13.809 1.00 5.54 O ATOM 1273 NE2 GLN A 72 -5.752 10.245 -13.872 1.00 53.14 N ATOM 0 H GLN A 72 -3.166 10.596 -8.813 1.00 1.14 H new ATOM 0 HA GLN A 72 -3.464 12.790 -9.270 1.00 2.32 H new ATOM 0 HB2 GLN A 72 -4.385 13.160 -11.535 1.00 45.04 H new ATOM 0 HB3 GLN A 72 -3.252 11.824 -11.480 1.00 45.04 H new ATOM 0 HG2 GLN A 72 -5.074 10.188 -11.465 1.00 10.21 H new ATOM 0 HG3 GLN A 72 -6.274 11.451 -11.273 1.00 10.21 H new ATOM 0 HE21 GLN A 72 -5.931 9.395 -13.338 1.00 53.14 H new ATOM 0 HE22 GLN A 72 -5.842 10.237 -14.888 1.00 53.14 H new ATOM 1282 N LEU A 73 -5.732 12.831 -7.806 1.00 45.22 N ATOM 1283 CA LEU A 73 -6.925 13.388 -7.193 1.00 53.22 C ATOM 1284 C LEU A 73 -6.732 14.892 -6.987 1.00 1.12 C ATOM 1285 O LEU A 73 -5.624 15.406 -7.137 1.00 24.52 O ATOM 1286 CB LEU A 73 -7.272 12.631 -5.910 1.00 60.03 C ATOM 1287 CG LEU A 73 -7.264 11.104 -6.009 1.00 42.11 C ATOM 1288 CD1 LEU A 73 -7.074 10.466 -4.632 1.00 2.10 C ATOM 1289 CD2 LEU A 73 -8.526 10.594 -6.708 1.00 40.04 C ATOM 0 H LEU A 73 -5.032 12.492 -7.146 1.00 45.22 H new ATOM 0 HA LEU A 73 -7.785 13.263 -7.851 1.00 53.22 H new ATOM 0 HB2 LEU A 73 -6.567 12.929 -5.134 1.00 60.03 H new ATOM 0 HB3 LEU A 73 -8.261 12.949 -5.580 1.00 60.03 H new ATOM 0 HG LEU A 73 -6.413 10.806 -6.622 1.00 42.11 H new ATOM 0 HD11 LEU A 73 -7.072 9.381 -4.731 1.00 2.10 H new ATOM 0 HD12 LEU A 73 -6.125 10.793 -4.207 1.00 2.10 H new ATOM 0 HD13 LEU A 73 -7.889 10.769 -3.975 1.00 2.10 H new ATOM 0 HD21 LEU A 73 -8.496 9.506 -6.766 1.00 40.04 H new ATOM 0 HD22 LEU A 73 -9.405 10.903 -6.143 1.00 40.04 H new ATOM 0 HD23 LEU A 73 -8.577 11.009 -7.714 1.00 40.04 H new ATOM 1301 N ASN A 74 -7.827 15.556 -6.646 1.00 35.22 N ATOM 1302 CA ASN A 74 -7.792 16.990 -6.417 1.00 74.20 C ATOM 1303 C ASN A 74 -7.481 17.260 -4.944 1.00 51.40 C ATOM 1304 O ASN A 74 -7.430 16.333 -4.137 1.00 1.13 O ATOM 1305 CB ASN A 74 -9.142 17.632 -6.741 1.00 44.21 C ATOM 1306 CG ASN A 74 -9.236 17.994 -8.224 1.00 42.24 C ATOM 1307 OD1 ASN A 74 -9.634 17.199 -9.060 1.00 33.31 O ATOM 1308 ND2 ASN A 74 -8.849 19.235 -8.504 1.00 1.30 N ATOM 0 H ASN A 74 -8.744 15.127 -6.523 1.00 35.22 H new ATOM 0 HA ASN A 74 -7.025 17.416 -7.064 1.00 74.20 H new ATOM 0 HB2 ASN A 74 -9.947 16.946 -6.479 1.00 44.21 H new ATOM 0 HB3 ASN A 74 -9.277 18.528 -6.135 1.00 44.21 H new ATOM 0 HD21 ASN A 74 -8.875 19.572 -9.466 1.00 1.30 H new ATOM 0 HD22 ASN A 74 -8.526 19.850 -7.757 1.00 1.30 H new ATOM 1315 N ALA A 75 -7.281 18.533 -4.638 1.00 12.11 N ATOM 1316 CA ALA A 75 -6.976 18.937 -3.276 1.00 24.42 C ATOM 1317 C ALA A 75 -8.234 18.802 -2.415 1.00 44.43 C ATOM 1318 O ALA A 75 -8.174 18.947 -1.195 1.00 11.42 O ATOM 1319 CB ALA A 75 -6.421 20.363 -3.277 1.00 14.40 C ATOM 0 H ALA A 75 -7.324 19.299 -5.310 1.00 12.11 H new ATOM 0 HA ALA A 75 -6.211 18.290 -2.847 1.00 24.42 H new ATOM 0 HB1 ALA A 75 -6.193 20.665 -2.255 1.00 14.40 H new ATOM 0 HB2 ALA A 75 -5.512 20.399 -3.878 1.00 14.40 H new ATOM 0 HB3 ALA A 75 -7.162 21.042 -3.699 1.00 14.40 H new ATOM 1325 N ASN A 76 -9.343 18.527 -3.084 1.00 1.33 N ATOM 1326 CA ASN A 76 -10.613 18.371 -2.396 1.00 24.12 C ATOM 1327 C ASN A 76 -10.825 16.895 -2.053 1.00 74.34 C ATOM 1328 O ASN A 76 -11.400 16.571 -1.015 1.00 61.04 O ATOM 1329 CB ASN A 76 -11.778 18.822 -3.279 1.00 13.50 C ATOM 1330 CG ASN A 76 -11.551 20.242 -3.802 1.00 64.51 C ATOM 1331 OD1 ASN A 76 -11.236 21.161 -3.064 1.00 13.31 O ATOM 1332 ND2 ASN A 76 -11.727 20.370 -5.114 1.00 33.55 N ATOM 0 H ASN A 76 -9.389 18.408 -4.096 1.00 1.33 H new ATOM 0 HA ASN A 76 -10.585 18.984 -1.495 1.00 24.12 H new ATOM 0 HB2 ASN A 76 -11.890 18.135 -4.118 1.00 13.50 H new ATOM 0 HB3 ASN A 76 -12.707 18.784 -2.710 1.00 13.50 H new ATOM 0 HD21 ASN A 76 -11.598 21.278 -5.560 1.00 33.55 H new ATOM 0 HD22 ASN A 76 -11.991 19.560 -5.675 1.00 33.55 H new ATOM 1339 N GLN A 77 -10.348 16.039 -2.945 1.00 5.11 N ATOM 1340 CA GLN A 77 -10.477 14.605 -2.750 1.00 23.14 C ATOM 1341 C GLN A 77 -9.651 14.156 -1.543 1.00 75.30 C ATOM 1342 O GLN A 77 -8.596 14.725 -1.263 1.00 22.03 O ATOM 1343 CB GLN A 77 -10.067 13.841 -4.010 1.00 64.02 C ATOM 1344 CG GLN A 77 -11.171 12.877 -4.451 1.00 4.53 C ATOM 1345 CD GLN A 77 -11.748 12.120 -3.253 1.00 63.11 C ATOM 1346 OE1 GLN A 77 -10.891 11.281 -2.678 1.00 32.13 O flip ATOM 1347 NE2 GLN A 77 -12.896 12.286 -2.876 1.00 2.12 N flip ATOM 0 H GLN A 77 -9.871 16.311 -3.805 1.00 5.11 H new ATOM 0 HA GLN A 77 -11.525 14.378 -2.552 1.00 23.14 H new ATOM 0 HB2 GLN A 77 -9.853 14.546 -4.813 1.00 64.02 H new ATOM 0 HB3 GLN A 77 -9.149 13.285 -3.820 1.00 64.02 H new ATOM 0 HG2 GLN A 77 -11.964 13.432 -4.952 1.00 4.53 H new ATOM 0 HG3 GLN A 77 -10.771 12.168 -5.176 1.00 4.53 H new ATOM 0 HE21 GLN A 77 -13.502 12.946 -3.363 1.00 2.12 H new ATOM 0 HE22 GLN A 77 -13.250 11.765 -2.074 1.00 2.12 H new ATOM 1356 N ALA A 78 -10.160 13.141 -0.861 1.00 0.35 N ATOM 1357 CA ALA A 78 -9.482 12.610 0.309 1.00 43.41 C ATOM 1358 C ALA A 78 -8.959 11.206 -0.003 1.00 61.31 C ATOM 1359 O ALA A 78 -9.717 10.341 -0.439 1.00 75.30 O ATOM 1360 CB ALA A 78 -10.438 12.625 1.504 1.00 61.34 C ATOM 0 H ALA A 78 -11.035 12.672 -1.096 1.00 0.35 H new ATOM 0 HA ALA A 78 -8.625 13.230 0.570 1.00 43.41 H new ATOM 0 HB1 ALA A 78 -9.929 12.227 2.382 1.00 61.34 H new ATOM 0 HB2 ALA A 78 -10.756 13.648 1.702 1.00 61.34 H new ATOM 0 HB3 ALA A 78 -11.310 12.011 1.280 1.00 61.34 H new ATOM 1366 N PHE A 79 -7.669 11.024 0.233 1.00 75.54 N ATOM 1367 CA PHE A 79 -7.036 9.740 -0.017 1.00 50.43 C ATOM 1368 C PHE A 79 -6.143 9.331 1.156 1.00 43.02 C ATOM 1369 O PHE A 79 -5.384 10.146 1.677 1.00 63.34 O ATOM 1370 CB PHE A 79 -6.171 9.904 -1.269 1.00 54.22 C ATOM 1371 CG PHE A 79 -4.908 9.040 -1.270 1.00 64.41 C ATOM 1372 CD1 PHE A 79 -5.002 7.699 -1.479 1.00 41.31 C ATOM 1373 CD2 PHE A 79 -3.692 9.612 -1.062 1.00 44.31 C ATOM 1374 CE1 PHE A 79 -3.830 6.897 -1.480 1.00 70.15 C ATOM 1375 CE2 PHE A 79 -2.521 8.810 -1.062 1.00 23.15 C ATOM 1376 CZ PHE A 79 -2.614 7.469 -1.272 1.00 20.55 C ATOM 0 H PHE A 79 -7.044 11.744 0.595 1.00 75.54 H new ATOM 0 HA PHE A 79 -7.796 8.969 -0.146 1.00 50.43 H new ATOM 0 HB2 PHE A 79 -6.769 9.657 -2.146 1.00 54.22 H new ATOM 0 HB3 PHE A 79 -5.883 10.951 -1.365 1.00 54.22 H new ATOM 0 HD1 PHE A 79 -5.968 7.244 -1.644 1.00 41.31 H new ATOM 0 HD2 PHE A 79 -3.617 10.677 -0.897 1.00 44.31 H new ATOM 0 HE1 PHE A 79 -3.905 5.832 -1.646 1.00 70.15 H new ATOM 0 HE2 PHE A 79 -1.556 9.264 -0.895 1.00 23.15 H new ATOM 0 HZ PHE A 79 -1.723 6.859 -1.274 1.00 20.55 H new ATOM 1386 N PHE A 80 -6.263 8.067 1.537 1.00 13.24 N ATOM 1387 CA PHE A 80 -5.477 7.540 2.639 1.00 53.43 C ATOM 1388 C PHE A 80 -5.056 6.094 2.369 1.00 1.31 C ATOM 1389 O PHE A 80 -5.902 5.209 2.250 1.00 11.12 O ATOM 1390 CB PHE A 80 -6.368 7.576 3.882 1.00 51.05 C ATOM 1391 CG PHE A 80 -6.443 8.948 4.554 1.00 52.55 C ATOM 1392 CD1 PHE A 80 -5.306 9.555 4.990 1.00 20.11 C ATOM 1393 CD2 PHE A 80 -7.646 9.562 4.715 1.00 23.51 C ATOM 1394 CE1 PHE A 80 -5.376 10.829 5.614 1.00 2.11 C ATOM 1395 CE2 PHE A 80 -7.715 10.835 5.339 1.00 25.31 C ATOM 1396 CZ PHE A 80 -6.579 11.442 5.775 1.00 53.22 C ATOM 0 H PHE A 80 -6.893 7.393 1.102 1.00 13.24 H new ATOM 0 HA PHE A 80 -4.573 8.135 2.770 1.00 53.43 H new ATOM 0 HB2 PHE A 80 -7.375 7.263 3.604 1.00 51.05 H new ATOM 0 HB3 PHE A 80 -5.996 6.849 4.604 1.00 51.05 H new ATOM 0 HD1 PHE A 80 -4.351 9.068 4.862 1.00 20.11 H new ATOM 0 HD2 PHE A 80 -8.549 9.081 4.368 1.00 23.51 H new ATOM 0 HE1 PHE A 80 -4.474 11.311 5.961 1.00 2.11 H new ATOM 0 HE2 PHE A 80 -8.670 11.322 5.468 1.00 25.31 H new ATOM 0 HZ PHE A 80 -6.632 12.411 6.249 1.00 53.22 H new ATOM 1406 N LEU A 81 -3.748 5.899 2.280 1.00 13.24 N ATOM 1407 CA LEU A 81 -3.205 4.575 2.026 1.00 10.45 C ATOM 1408 C LEU A 81 -3.057 3.827 3.352 1.00 41.41 C ATOM 1409 O LEU A 81 -2.287 4.238 4.219 1.00 2.13 O ATOM 1410 CB LEU A 81 -1.904 4.674 1.227 1.00 51.24 C ATOM 1411 CG LEU A 81 -1.704 3.619 0.138 1.00 41.44 C ATOM 1412 CD1 LEU A 81 -0.272 3.650 -0.400 1.00 70.10 C ATOM 1413 CD2 LEU A 81 -2.096 2.229 0.642 1.00 32.24 C ATOM 0 H LEU A 81 -3.049 6.635 2.379 1.00 13.24 H new ATOM 0 HA LEU A 81 -3.889 3.995 1.407 1.00 10.45 H new ATOM 0 HB2 LEU A 81 -1.860 5.659 0.763 1.00 51.24 H new ATOM 0 HB3 LEU A 81 -1.068 4.612 1.923 1.00 51.24 H new ATOM 0 HG LEU A 81 -2.366 3.859 -0.694 1.00 41.44 H new ATOM 0 HD11 LEU A 81 -0.157 2.890 -1.173 1.00 70.10 H new ATOM 0 HD12 LEU A 81 -0.064 4.633 -0.823 1.00 70.10 H new ATOM 0 HD13 LEU A 81 0.426 3.450 0.413 1.00 70.10 H new ATOM 0 HD21 LEU A 81 -1.944 1.498 -0.152 1.00 32.24 H new ATOM 0 HD22 LEU A 81 -1.478 1.966 1.501 1.00 32.24 H new ATOM 0 HD23 LEU A 81 -3.145 2.231 0.937 1.00 32.24 H new ATOM 1425 N LEU A 82 -3.807 2.741 3.469 1.00 11.13 N ATOM 1426 CA LEU A 82 -3.769 1.931 4.675 1.00 2.41 C ATOM 1427 C LEU A 82 -2.715 0.833 4.514 1.00 23.30 C ATOM 1428 O LEU A 82 -2.808 0.007 3.608 1.00 74.12 O ATOM 1429 CB LEU A 82 -5.164 1.400 5.008 1.00 22.52 C ATOM 1430 CG LEU A 82 -6.233 2.456 5.296 1.00 4.22 C ATOM 1431 CD1 LEU A 82 -6.049 3.056 6.691 1.00 24.35 C ATOM 1432 CD2 LEU A 82 -6.248 3.531 4.208 1.00 2.33 C ATOM 0 H LEU A 82 -4.445 2.403 2.748 1.00 11.13 H new ATOM 0 HA LEU A 82 -3.471 2.536 5.531 1.00 2.41 H new ATOM 0 HB2 LEU A 82 -5.505 0.784 4.176 1.00 22.52 H new ATOM 0 HB3 LEU A 82 -5.084 0.746 5.876 1.00 22.52 H new ATOM 0 HG LEU A 82 -7.208 1.968 5.281 1.00 4.22 H new ATOM 0 HD11 LEU A 82 -6.822 3.804 6.870 1.00 24.35 H new ATOM 0 HD12 LEU A 82 -6.127 2.267 7.439 1.00 24.35 H new ATOM 0 HD13 LEU A 82 -5.067 3.525 6.759 1.00 24.35 H new ATOM 0 HD21 LEU A 82 -7.017 4.269 4.437 1.00 2.33 H new ATOM 0 HD22 LEU A 82 -5.275 4.021 4.167 1.00 2.33 H new ATOM 0 HD23 LEU A 82 -6.463 3.070 3.244 1.00 2.33 H new ATOM 1444 N VAL A 83 -1.737 0.860 5.407 1.00 23.42 N ATOM 1445 CA VAL A 83 -0.667 -0.122 5.376 1.00 54.23 C ATOM 1446 C VAL A 83 -1.097 -1.364 6.160 1.00 0.12 C ATOM 1447 O VAL A 83 -1.241 -1.312 7.381 1.00 11.13 O ATOM 1448 CB VAL A 83 0.629 0.498 5.902 1.00 55.34 C ATOM 1449 CG1 VAL A 83 1.556 -0.575 6.476 1.00 75.33 C ATOM 1450 CG2 VAL A 83 1.333 1.304 4.809 1.00 25.30 C ATOM 0 H VAL A 83 -1.663 1.547 6.157 1.00 23.42 H new ATOM 0 HA VAL A 83 -0.468 -0.437 4.352 1.00 54.23 H new ATOM 0 HB VAL A 83 0.370 1.183 6.709 1.00 55.34 H new ATOM 0 HG11 VAL A 83 2.470 -0.108 6.843 1.00 75.33 H new ATOM 0 HG12 VAL A 83 1.055 -1.087 7.298 1.00 75.33 H new ATOM 0 HG13 VAL A 83 1.805 -1.296 5.697 1.00 75.33 H new ATOM 0 HG21 VAL A 83 2.251 1.734 5.209 1.00 25.30 H new ATOM 0 HG22 VAL A 83 1.573 0.649 3.972 1.00 25.30 H new ATOM 0 HG23 VAL A 83 0.676 2.104 4.467 1.00 25.30 H new ATOM 1460 N ASN A 84 -1.290 -2.450 5.427 1.00 71.21 N ATOM 1461 CA ASN A 84 -1.700 -3.703 6.039 1.00 22.42 C ATOM 1462 C ASN A 84 -3.138 -3.570 6.546 1.00 41.23 C ATOM 1463 O ASN A 84 -3.623 -4.430 7.280 1.00 15.22 O ATOM 1464 CB ASN A 84 -0.808 -4.051 7.232 1.00 70.52 C ATOM 1465 CG ASN A 84 0.021 -5.305 6.949 1.00 20.31 C ATOM 1466 OD1 ASN A 84 -0.144 -5.977 5.944 1.00 32.51 O ATOM 1467 ND2 ASN A 84 0.921 -5.582 7.888 1.00 73.33 N ATOM 0 H ASN A 84 -1.170 -2.489 4.415 1.00 71.21 H new ATOM 0 HA ASN A 84 -1.619 -4.489 5.288 1.00 22.42 H new ATOM 0 HB2 ASN A 84 -0.145 -3.214 7.451 1.00 70.52 H new ATOM 0 HB3 ASN A 84 -1.424 -4.210 8.117 1.00 70.52 H new ATOM 0 HD21 ASN A 84 1.525 -6.398 7.791 1.00 73.33 H new ATOM 0 HD22 ASN A 84 1.008 -4.978 8.705 1.00 73.33 H new ATOM 1474 N GLY A 85 -3.779 -2.487 6.135 1.00 4.15 N ATOM 1475 CA GLY A 85 -5.151 -2.231 6.538 1.00 4.21 C ATOM 1476 C GLY A 85 -5.209 -1.182 7.651 1.00 61.15 C ATOM 1477 O GLY A 85 -6.278 -0.908 8.195 1.00 20.01 O ATOM 0 H GLY A 85 -3.374 -1.776 5.526 1.00 4.15 H new ATOM 0 HA2 GLY A 85 -5.728 -1.888 5.679 1.00 4.21 H new ATOM 0 HA3 GLY A 85 -5.612 -3.157 6.882 1.00 4.21 H new ATOM 1481 N HIS A 86 -4.047 -0.625 7.956 1.00 25.23 N ATOM 1482 CA HIS A 86 -3.952 0.387 8.994 1.00 11.12 C ATOM 1483 C HIS A 86 -3.267 1.635 8.433 1.00 50.33 C ATOM 1484 O HIS A 86 -2.204 1.542 7.821 1.00 50.41 O ATOM 1485 CB HIS A 86 -3.248 -0.169 10.233 1.00 31.02 C ATOM 1486 CG HIS A 86 -1.832 -0.630 9.980 1.00 33.33 C ATOM 1487 ND1 HIS A 86 -0.796 0.247 9.708 1.00 72.14 N ATOM 1488 CD2 HIS A 86 -1.292 -1.882 9.961 1.00 74.02 C ATOM 1489 CE1 HIS A 86 0.313 -0.458 9.534 1.00 52.33 C ATOM 1490 NE2 HIS A 86 0.003 -1.777 9.691 1.00 4.14 N ATOM 0 H HIS A 86 -3.163 -0.855 7.503 1.00 25.23 H new ATOM 0 HA HIS A 86 -4.952 0.677 9.316 1.00 11.12 H new ATOM 0 HB2 HIS A 86 -3.237 0.599 11.007 1.00 31.02 H new ATOM 0 HB3 HIS A 86 -3.828 -1.006 10.623 1.00 31.02 H new ATOM 0 HD1 HIS A 86 -0.873 1.263 9.651 1.00 72.14 H new ATOM 0 HD2 HIS A 86 -1.828 -2.803 10.136 1.00 74.02 H new ATOM 0 HE1 HIS A 86 1.290 -0.058 9.308 1.00 52.33 H new ATOM 0 HE2 HIS A 86 0.659 -2.555 9.614 1.00 4.14 H new ATOM 1498 N SER A 87 -3.903 2.774 8.663 1.00 21.12 N ATOM 1499 CA SER A 87 -3.368 4.039 8.188 1.00 35.33 C ATOM 1500 C SER A 87 -1.963 4.258 8.752 1.00 12.03 C ATOM 1501 O SER A 87 -1.506 3.496 9.603 1.00 44.20 O ATOM 1502 CB SER A 87 -4.282 5.203 8.575 1.00 21.01 C ATOM 1503 OG SER A 87 -5.171 4.856 9.633 1.00 72.54 O ATOM 0 H SER A 87 -4.784 2.848 9.172 1.00 21.12 H new ATOM 0 HA SER A 87 -3.314 4.000 7.100 1.00 35.33 H new ATOM 0 HB2 SER A 87 -3.674 6.056 8.877 1.00 21.01 H new ATOM 0 HB3 SER A 87 -4.859 5.515 7.705 1.00 21.01 H new ATOM 0 HG SER A 87 -5.250 5.610 10.254 1.00 72.54 H new ATOM 1509 N MET A 88 -1.316 5.302 8.255 1.00 23.44 N ATOM 1510 CA MET A 88 0.028 5.630 8.699 1.00 70.11 C ATOM 1511 C MET A 88 0.063 7.004 9.371 1.00 34.21 C ATOM 1512 O MET A 88 0.990 7.783 9.152 1.00 30.24 O ATOM 1513 CB MET A 88 0.978 5.624 7.499 1.00 23.21 C ATOM 1514 CG MET A 88 0.290 6.184 6.252 1.00 12.04 C ATOM 1515 SD MET A 88 -0.184 7.883 6.528 1.00 73.31 S ATOM 1516 CE MET A 88 -1.920 7.791 6.123 1.00 51.33 C ATOM 0 H MET A 88 -1.698 5.932 7.549 1.00 23.44 H new ATOM 0 HA MET A 88 0.343 4.882 9.427 1.00 70.11 H new ATOM 0 HB2 MET A 88 1.863 6.218 7.728 1.00 23.21 H new ATOM 0 HB3 MET A 88 1.318 4.607 7.305 1.00 23.21 H new ATOM 0 HG2 MET A 88 0.962 6.120 5.396 1.00 12.04 H new ATOM 0 HG3 MET A 88 -0.590 5.587 6.013 1.00 12.04 H new ATOM 0 HE1 MET A 88 -2.252 8.750 5.726 1.00 51.33 H new ATOM 0 HE2 MET A 88 -2.078 7.014 5.375 1.00 51.33 H new ATOM 0 HE3 MET A 88 -2.491 7.553 7.020 1.00 51.33 H new ATOM 1526 N VAL A 89 -0.958 7.261 10.175 1.00 62.44 N ATOM 1527 CA VAL A 89 -1.056 8.527 10.880 1.00 62.21 C ATOM 1528 C VAL A 89 0.334 8.944 11.366 1.00 24.13 C ATOM 1529 O VAL A 89 0.628 10.133 11.470 1.00 1.15 O ATOM 1530 CB VAL A 89 -2.078 8.418 12.014 1.00 72.11 C ATOM 1531 CG1 VAL A 89 -3.472 8.830 11.537 1.00 53.23 C ATOM 1532 CG2 VAL A 89 -2.095 7.005 12.602 1.00 72.21 C ATOM 0 H VAL A 89 -1.725 6.613 10.354 1.00 62.44 H new ATOM 0 HA VAL A 89 -1.415 9.309 10.211 1.00 62.21 H new ATOM 0 HB VAL A 89 -1.777 9.106 12.804 1.00 72.11 H new ATOM 0 HG11 VAL A 89 -4.179 8.743 12.362 1.00 53.23 H new ATOM 0 HG12 VAL A 89 -3.447 9.862 11.188 1.00 53.23 H new ATOM 0 HG13 VAL A 89 -3.785 8.178 10.721 1.00 53.23 H new ATOM 0 HG21 VAL A 89 -2.829 6.954 13.406 1.00 72.21 H new ATOM 0 HG22 VAL A 89 -2.360 6.290 11.823 1.00 72.21 H new ATOM 0 HG23 VAL A 89 -1.108 6.763 12.996 1.00 72.21 H new ATOM 1542 N SER A 90 1.151 7.941 11.651 1.00 43.15 N ATOM 1543 CA SER A 90 2.503 8.188 12.124 1.00 5.54 C ATOM 1544 C SER A 90 3.516 7.557 11.167 1.00 40.34 C ATOM 1545 O SER A 90 3.717 6.343 11.182 1.00 35.33 O ATOM 1546 CB SER A 90 2.699 7.643 13.540 1.00 14.32 C ATOM 1547 OG SER A 90 1.542 7.832 14.350 1.00 2.52 O ATOM 0 H SER A 90 0.903 6.955 11.564 1.00 43.15 H new ATOM 0 HA SER A 90 2.664 9.266 12.153 1.00 5.54 H new ATOM 0 HB2 SER A 90 2.937 6.580 13.490 1.00 14.32 H new ATOM 0 HB3 SER A 90 3.552 8.139 14.004 1.00 14.32 H new ATOM 0 HG SER A 90 1.707 7.469 15.245 1.00 2.52 H new ATOM 1553 N VAL A 91 4.127 8.408 10.357 1.00 73.43 N ATOM 1554 CA VAL A 91 5.114 7.949 9.394 1.00 23.12 C ATOM 1555 C VAL A 91 6.509 8.374 9.859 1.00 2.11 C ATOM 1556 O VAL A 91 6.982 9.454 9.507 1.00 34.04 O ATOM 1557 CB VAL A 91 4.765 8.468 7.998 1.00 41.51 C ATOM 1558 CG1 VAL A 91 4.037 9.812 8.079 1.00 4.23 C ATOM 1559 CG2 VAL A 91 6.016 8.575 7.124 1.00 15.53 C ATOM 0 H VAL A 91 3.958 9.414 10.347 1.00 73.43 H new ATOM 0 HA VAL A 91 5.109 6.861 9.331 1.00 23.12 H new ATOM 0 HB VAL A 91 4.091 7.749 7.532 1.00 41.51 H new ATOM 0 HG11 VAL A 91 3.800 10.159 7.073 1.00 4.23 H new ATOM 0 HG12 VAL A 91 3.115 9.693 8.648 1.00 4.23 H new ATOM 0 HG13 VAL A 91 4.677 10.543 8.574 1.00 4.23 H new ATOM 0 HG21 VAL A 91 5.740 8.946 6.137 1.00 15.53 H new ATOM 0 HG22 VAL A 91 6.724 9.263 7.585 1.00 15.53 H new ATOM 0 HG23 VAL A 91 6.477 7.592 7.026 1.00 15.53 H new ATOM 1569 N SER A 92 7.128 7.502 10.641 1.00 1.13 N ATOM 1570 CA SER A 92 8.459 7.774 11.157 1.00 51.40 C ATOM 1571 C SER A 92 9.393 6.606 10.835 1.00 74.42 C ATOM 1572 O SER A 92 10.466 6.483 11.424 1.00 22.05 O ATOM 1573 CB SER A 92 8.424 8.025 12.666 1.00 12.45 C ATOM 1574 OG SER A 92 7.775 9.252 12.988 1.00 11.51 O ATOM 0 H SER A 92 6.733 6.607 10.930 1.00 1.13 H new ATOM 0 HA SER A 92 8.835 8.676 10.675 1.00 51.40 H new ATOM 0 HB2 SER A 92 7.907 7.201 13.159 1.00 12.45 H new ATOM 0 HB3 SER A 92 9.442 8.041 13.055 1.00 12.45 H new ATOM 0 HG SER A 92 7.772 9.375 13.960 1.00 11.51 H new ATOM 1580 N THR A 93 8.952 5.777 9.900 1.00 61.14 N ATOM 1581 CA THR A 93 9.735 4.623 9.492 1.00 63.22 C ATOM 1582 C THR A 93 9.907 4.606 7.972 1.00 21.35 C ATOM 1583 O THR A 93 9.015 5.027 7.238 1.00 40.15 O ATOM 1584 CB THR A 93 9.051 3.370 10.041 1.00 14.31 C ATOM 1585 OG1 THR A 93 9.414 3.350 11.418 1.00 4.41 O ATOM 1586 CG2 THR A 93 9.653 2.080 9.478 1.00 72.01 C ATOM 0 H THR A 93 8.062 5.882 9.413 1.00 61.14 H new ATOM 0 HA THR A 93 10.745 4.665 9.901 1.00 63.22 H new ATOM 0 HB THR A 93 7.987 3.406 9.808 1.00 14.31 H new ATOM 0 HG1 THR A 93 9.010 2.569 11.851 1.00 4.41 H new ATOM 0 HG21 THR A 93 9.132 1.221 9.900 1.00 72.01 H new ATOM 0 HG22 THR A 93 9.547 2.072 8.393 1.00 72.01 H new ATOM 0 HG23 THR A 93 10.710 2.027 9.740 1.00 72.01 H new ATOM 1594 N PRO A 94 11.091 4.100 7.533 1.00 14.14 N ATOM 1595 CA PRO A 94 11.392 4.022 6.114 1.00 74.20 C ATOM 1596 C PRO A 94 10.619 2.879 5.452 1.00 15.02 C ATOM 1597 O PRO A 94 10.431 1.823 6.052 1.00 45.33 O ATOM 1598 CB PRO A 94 12.899 3.841 6.040 1.00 44.34 C ATOM 1599 CG PRO A 94 13.329 3.360 7.417 1.00 22.42 C ATOM 1600 CD PRO A 94 12.171 3.592 8.374 1.00 54.04 C ATOM 0 HA PRO A 94 11.085 4.915 5.569 1.00 74.20 H new ATOM 0 HB2 PRO A 94 13.168 3.116 5.271 1.00 44.34 H new ATOM 0 HB3 PRO A 94 13.393 4.778 5.782 1.00 44.34 H new ATOM 0 HG2 PRO A 94 13.593 2.303 7.387 1.00 22.42 H new ATOM 0 HG3 PRO A 94 14.215 3.901 7.751 1.00 22.42 H new ATOM 0 HD2 PRO A 94 11.881 2.669 8.876 1.00 54.04 H new ATOM 0 HD3 PRO A 94 12.437 4.308 9.152 1.00 54.04 H new ATOM 1608 N ILE A 95 10.192 3.130 4.223 1.00 43.23 N ATOM 1609 CA ILE A 95 9.445 2.136 3.473 1.00 11.34 C ATOM 1610 C ILE A 95 10.220 0.816 3.470 1.00 4.52 C ATOM 1611 O ILE A 95 9.640 -0.248 3.257 1.00 11.01 O ATOM 1612 CB ILE A 95 9.114 2.657 2.073 1.00 53.24 C ATOM 1613 CG1 ILE A 95 8.062 1.777 1.394 1.00 71.40 C ATOM 1614 CG2 ILE A 95 10.380 2.795 1.225 1.00 74.51 C ATOM 1615 CD1 ILE A 95 6.744 2.534 1.220 1.00 23.35 C ATOM 0 H ILE A 95 10.350 4.008 3.728 1.00 43.23 H new ATOM 0 HA ILE A 95 8.485 1.942 3.951 1.00 11.34 H new ATOM 0 HB ILE A 95 8.684 3.653 2.173 1.00 53.24 H new ATOM 0 HG12 ILE A 95 8.429 1.450 0.421 1.00 71.40 H new ATOM 0 HG13 ILE A 95 7.894 0.879 1.989 1.00 71.40 H new ATOM 0 HG21 ILE A 95 10.116 3.167 0.235 1.00 74.51 H new ATOM 0 HG22 ILE A 95 11.065 3.494 1.705 1.00 74.51 H new ATOM 0 HG23 ILE A 95 10.862 1.822 1.130 1.00 74.51 H new ATOM 0 HD11 ILE A 95 6.014 1.886 0.735 1.00 23.35 H new ATOM 0 HD12 ILE A 95 6.367 2.838 2.197 1.00 23.35 H new ATOM 0 HD13 ILE A 95 6.911 3.418 0.604 1.00 23.35 H new ATOM 1627 N SER A 96 11.518 0.929 3.708 1.00 11.42 N ATOM 1628 CA SER A 96 12.378 -0.241 3.736 1.00 51.52 C ATOM 1629 C SER A 96 12.081 -1.080 4.981 1.00 41.31 C ATOM 1630 O SER A 96 12.042 -2.307 4.912 1.00 24.42 O ATOM 1631 CB SER A 96 13.855 0.159 3.706 1.00 73.11 C ATOM 1632 OG SER A 96 14.284 0.707 4.949 1.00 50.12 O ATOM 0 H SER A 96 11.995 1.813 3.883 1.00 11.42 H new ATOM 0 HA SER A 96 12.173 -0.837 2.847 1.00 51.52 H new ATOM 0 HB2 SER A 96 14.462 -0.714 3.465 1.00 73.11 H new ATOM 0 HB3 SER A 96 14.017 0.889 2.913 1.00 73.11 H new ATOM 0 HG SER A 96 15.232 0.948 4.890 1.00 50.12 H new ATOM 1638 N GLU A 97 11.879 -0.384 6.089 1.00 73.25 N ATOM 1639 CA GLU A 97 11.587 -1.049 7.348 1.00 22.40 C ATOM 1640 C GLU A 97 10.101 -1.407 7.426 1.00 74.43 C ATOM 1641 O GLU A 97 9.749 -2.556 7.689 1.00 53.53 O ATOM 1642 CB GLU A 97 12.005 -0.181 8.537 1.00 24.31 C ATOM 1643 CG GLU A 97 13.500 0.139 8.483 1.00 14.32 C ATOM 1644 CD GLU A 97 14.326 -0.992 9.098 1.00 13.10 C ATOM 1645 OE1 GLU A 97 14.995 -1.739 8.368 1.00 33.11 O ATOM 1646 OE2 GLU A 97 14.257 -1.081 10.383 1.00 21.14 O ATOM 0 H GLU A 97 11.912 0.634 6.142 1.00 73.25 H new ATOM 0 HA GLU A 97 12.166 -1.971 7.393 1.00 22.40 H new ATOM 0 HB2 GLU A 97 11.431 0.745 8.535 1.00 24.31 H new ATOM 0 HB3 GLU A 97 11.773 -0.698 9.468 1.00 24.31 H new ATOM 0 HG2 GLU A 97 13.805 0.295 7.448 1.00 14.32 H new ATOM 0 HG3 GLU A 97 13.696 1.069 9.017 1.00 14.32 H new ATOM 1654 N VAL A 98 9.270 -0.402 7.193 1.00 73.03 N ATOM 1655 CA VAL A 98 7.830 -0.597 7.234 1.00 14.31 C ATOM 1656 C VAL A 98 7.469 -1.866 6.459 1.00 14.23 C ATOM 1657 O VAL A 98 6.487 -2.534 6.778 1.00 62.31 O ATOM 1658 CB VAL A 98 7.118 0.650 6.705 1.00 13.13 C ATOM 1659 CG1 VAL A 98 5.725 0.303 6.177 1.00 53.03 C ATOM 1660 CG2 VAL A 98 7.043 1.736 7.780 1.00 53.40 C ATOM 0 H VAL A 98 9.566 0.550 6.975 1.00 73.03 H new ATOM 0 HA VAL A 98 7.492 -0.737 8.261 1.00 14.31 H new ATOM 0 HB VAL A 98 7.703 1.043 5.873 1.00 13.13 H new ATOM 0 HG11 VAL A 98 5.241 1.207 5.807 1.00 53.03 H new ATOM 0 HG12 VAL A 98 5.813 -0.420 5.366 1.00 53.03 H new ATOM 0 HG13 VAL A 98 5.127 -0.126 6.981 1.00 53.03 H new ATOM 0 HG21 VAL A 98 6.532 2.611 7.378 1.00 53.40 H new ATOM 0 HG22 VAL A 98 6.492 1.358 8.641 1.00 53.40 H new ATOM 0 HG23 VAL A 98 8.051 2.014 8.088 1.00 53.40 H new ATOM 1670 N TYR A 99 8.284 -2.160 5.457 1.00 23.41 N ATOM 1671 CA TYR A 99 8.063 -3.337 4.634 1.00 72.23 C ATOM 1672 C TYR A 99 8.470 -4.610 5.377 1.00 41.42 C ATOM 1673 O TYR A 99 7.663 -5.524 5.540 1.00 44.51 O ATOM 1674 CB TYR A 99 8.960 -3.168 3.406 1.00 73.42 C ATOM 1675 CG TYR A 99 9.308 -4.482 2.704 1.00 71.20 C ATOM 1676 CD1 TYR A 99 10.416 -5.204 3.101 1.00 72.44 C ATOM 1677 CD2 TYR A 99 8.515 -4.945 1.674 1.00 10.12 C ATOM 1678 CE1 TYR A 99 10.743 -6.441 2.440 1.00 65.15 C ATOM 1679 CE2 TYR A 99 8.842 -6.182 1.013 1.00 13.41 C ATOM 1680 CZ TYR A 99 9.940 -6.869 1.429 1.00 12.34 C ATOM 1681 OH TYR A 99 10.250 -8.037 0.805 1.00 34.03 O ATOM 0 H TYR A 99 9.098 -1.604 5.196 1.00 23.41 H new ATOM 0 HA TYR A 99 7.009 -3.429 4.372 1.00 72.23 H new ATOM 0 HB2 TYR A 99 8.464 -2.508 2.694 1.00 73.42 H new ATOM 0 HB3 TYR A 99 9.883 -2.674 3.708 1.00 73.42 H new ATOM 0 HD1 TYR A 99 11.037 -4.841 3.907 1.00 72.44 H new ATOM 0 HD2 TYR A 99 7.649 -4.380 1.363 1.00 10.12 H new ATOM 0 HE1 TYR A 99 11.606 -7.016 2.740 1.00 65.15 H new ATOM 0 HE2 TYR A 99 8.230 -6.556 0.206 1.00 13.41 H new ATOM 0 HH TYR A 99 9.659 -8.163 0.034 1.00 34.03 H new ATOM 1691 N GLU A 100 9.723 -4.630 5.809 1.00 24.12 N ATOM 1692 CA GLU A 100 10.247 -5.777 6.531 1.00 10.14 C ATOM 1693 C GLU A 100 9.644 -5.841 7.936 1.00 24.24 C ATOM 1694 O GLU A 100 9.894 -6.787 8.680 1.00 64.34 O ATOM 1695 CB GLU A 100 11.776 -5.734 6.593 1.00 52.12 C ATOM 1696 CG GLU A 100 12.261 -4.447 7.263 1.00 41.55 C ATOM 1697 CD GLU A 100 13.425 -4.730 8.215 1.00 3.21 C ATOM 1698 OE1 GLU A 100 13.211 -4.895 9.425 1.00 23.53 O ATOM 1699 OE2 GLU A 100 14.587 -4.778 7.656 1.00 74.24 O ATOM 0 H GLU A 100 10.390 -3.870 5.673 1.00 24.12 H new ATOM 0 HA GLU A 100 9.962 -6.681 5.993 1.00 10.14 H new ATOM 0 HB2 GLU A 100 12.146 -6.598 7.146 1.00 52.12 H new ATOM 0 HB3 GLU A 100 12.187 -5.801 5.585 1.00 52.12 H new ATOM 0 HG2 GLU A 100 12.574 -3.732 6.502 1.00 41.55 H new ATOM 0 HG3 GLU A 100 11.440 -3.987 7.813 1.00 41.55 H new ATOM 1707 N SER A 101 8.861 -4.821 8.255 1.00 23.43 N ATOM 1708 CA SER A 101 8.220 -4.749 9.557 1.00 33.22 C ATOM 1709 C SER A 101 6.736 -5.101 9.430 1.00 63.15 C ATOM 1710 O SER A 101 6.020 -5.160 10.429 1.00 0.10 O ATOM 1711 CB SER A 101 8.385 -3.360 10.177 1.00 23.11 C ATOM 1712 OG SER A 101 9.639 -3.216 10.838 1.00 11.13 O ATOM 0 H SER A 101 8.656 -4.038 7.635 1.00 23.43 H new ATOM 0 HA SER A 101 8.703 -5.470 10.216 1.00 33.22 H new ATOM 0 HB2 SER A 101 8.297 -2.603 9.398 1.00 23.11 H new ATOM 0 HB3 SER A 101 7.578 -3.182 10.888 1.00 23.11 H new ATOM 0 HG SER A 101 9.707 -2.316 11.219 1.00 11.13 H new ATOM 1718 N GLU A 102 6.318 -5.324 8.193 1.00 74.03 N ATOM 1719 CA GLU A 102 4.932 -5.668 7.922 1.00 73.55 C ATOM 1720 C GLU A 102 4.859 -6.844 6.946 1.00 44.54 C ATOM 1721 O GLU A 102 4.298 -7.890 7.270 1.00 34.43 O ATOM 1722 CB GLU A 102 4.163 -4.460 7.384 1.00 0.30 C ATOM 1723 CG GLU A 102 3.965 -3.406 8.474 1.00 75.10 C ATOM 1724 CD GLU A 102 2.896 -3.847 9.476 1.00 24.40 C ATOM 1725 OE1 GLU A 102 2.652 -5.053 9.632 1.00 30.04 O ATOM 1726 OE2 GLU A 102 2.310 -2.886 10.107 1.00 73.01 O ATOM 0 H GLU A 102 6.914 -5.273 7.367 1.00 74.03 H new ATOM 0 HA GLU A 102 4.462 -5.968 8.858 1.00 73.55 H new ATOM 0 HB2 GLU A 102 4.705 -4.023 6.545 1.00 0.30 H new ATOM 0 HB3 GLU A 102 3.193 -4.782 7.004 1.00 0.30 H new ATOM 0 HG2 GLU A 102 4.907 -3.234 8.994 1.00 75.10 H new ATOM 0 HG3 GLU A 102 3.674 -2.459 8.020 1.00 75.10 H new ATOM 1734 N ARG A 103 5.433 -6.634 5.771 1.00 73.01 N ATOM 1735 CA ARG A 103 5.439 -7.664 4.746 1.00 11.32 C ATOM 1736 C ARG A 103 5.644 -9.042 5.379 1.00 10.30 C ATOM 1737 O ARG A 103 6.181 -9.149 6.481 1.00 22.34 O ATOM 1738 CB ARG A 103 6.545 -7.412 3.719 1.00 73.24 C ATOM 1739 CG ARG A 103 7.914 -7.803 4.281 1.00 1.11 C ATOM 1740 CD ARG A 103 8.273 -9.241 3.898 1.00 64.23 C ATOM 1741 NE ARG A 103 9.739 -9.372 3.745 1.00 73.51 N ATOM 1742 CZ ARG A 103 10.416 -10.528 3.911 1.00 54.13 C ATOM 1743 NH1 ARG A 103 9.764 -11.664 4.237 1.00 40.42 N ATOM 1744 NH2 ARG A 103 11.726 -10.531 3.750 1.00 53.31 N ATOM 0 H ARG A 103 5.897 -5.766 5.506 1.00 73.01 H new ATOM 0 HA ARG A 103 4.474 -7.633 4.239 1.00 11.32 H new ATOM 0 HB2 ARG A 103 6.343 -7.984 2.813 1.00 73.24 H new ATOM 0 HB3 ARG A 103 6.551 -6.359 3.436 1.00 73.24 H new ATOM 0 HG2 ARG A 103 8.675 -7.121 3.902 1.00 1.11 H new ATOM 0 HG3 ARG A 103 7.908 -7.703 5.366 1.00 1.11 H new ATOM 0 HD2 ARG A 103 7.916 -9.930 4.663 1.00 64.23 H new ATOM 0 HD3 ARG A 103 7.776 -9.513 2.967 1.00 64.23 H new ATOM 0 HE ARG A 103 10.271 -8.537 3.499 1.00 73.51 H new ATOM 0 HH11 ARG A 103 8.751 -11.654 4.360 1.00 40.42 H new ATOM 0 HH12 ARG A 103 10.284 -12.533 4.360 1.00 40.42 H new ATOM 0 HH21 ARG A 103 12.212 -9.668 3.504 1.00 53.31 H new ATOM 0 HH22 ARG A 103 12.253 -11.396 3.872 1.00 53.31 H new ATOM 1757 N ASP A 104 5.206 -10.061 4.655 1.00 3.22 N ATOM 1758 CA ASP A 104 5.335 -11.428 5.132 1.00 24.23 C ATOM 1759 C ASP A 104 6.451 -12.131 4.356 1.00 52.11 C ATOM 1760 O ASP A 104 7.047 -11.547 3.453 1.00 14.33 O ATOM 1761 CB ASP A 104 4.040 -12.212 4.914 1.00 21.34 C ATOM 1762 CG ASP A 104 3.601 -13.078 6.096 1.00 33.24 C ATOM 1763 OD1 ASP A 104 3.767 -12.695 7.264 1.00 13.53 O ATOM 1764 OD2 ASP A 104 3.060 -14.204 5.776 1.00 12.42 O ATOM 0 H ASP A 104 4.761 -9.968 3.742 1.00 3.22 H new ATOM 0 HA ASP A 104 5.560 -11.394 6.198 1.00 24.23 H new ATOM 0 HB2 ASP A 104 3.241 -11.507 4.683 1.00 21.34 H new ATOM 0 HB3 ASP A 104 4.163 -12.852 4.040 1.00 21.34 H new ATOM 1770 N GLU A 105 6.699 -13.376 4.737 1.00 4.45 N ATOM 1771 CA GLU A 105 7.732 -14.165 4.088 1.00 23.41 C ATOM 1772 C GLU A 105 7.625 -14.032 2.568 1.00 43.50 C ATOM 1773 O GLU A 105 8.635 -14.059 1.867 1.00 71.12 O ATOM 1774 CB GLU A 105 7.652 -15.631 4.518 1.00 74.25 C ATOM 1775 CG GLU A 105 7.794 -15.767 6.035 1.00 61.33 C ATOM 1776 CD GLU A 105 9.075 -15.092 6.529 1.00 54.43 C ATOM 1777 OE1 GLU A 105 9.126 -13.858 6.630 1.00 41.24 O ATOM 1778 OE2 GLU A 105 10.042 -15.899 6.812 1.00 31.11 O ATOM 0 H GLU A 105 6.202 -13.857 5.487 1.00 4.45 H new ATOM 0 HA GLU A 105 8.704 -13.782 4.398 1.00 23.41 H new ATOM 0 HB2 GLU A 105 6.700 -16.056 4.199 1.00 74.25 H new ATOM 0 HB3 GLU A 105 8.438 -16.202 4.023 1.00 74.25 H new ATOM 0 HG2 GLU A 105 6.930 -15.319 6.526 1.00 61.33 H new ATOM 0 HG3 GLU A 105 7.805 -16.822 6.310 1.00 61.33 H new ATOM 1786 N ASP A 106 6.392 -13.892 2.103 1.00 14.21 N ATOM 1787 CA ASP A 106 6.140 -13.755 0.679 1.00 71.01 C ATOM 1788 C ASP A 106 7.125 -12.744 0.086 1.00 12.41 C ATOM 1789 O ASP A 106 7.714 -12.989 -0.965 1.00 41.35 O ATOM 1790 CB ASP A 106 4.723 -13.244 0.417 1.00 4.22 C ATOM 1791 CG ASP A 106 4.190 -12.253 1.455 1.00 72.31 C ATOM 1792 OD1 ASP A 106 4.964 -11.551 2.123 1.00 41.53 O ATOM 1793 OD2 ASP A 106 2.906 -12.217 1.565 1.00 55.23 O ATOM 0 H ASP A 106 5.557 -13.871 2.688 1.00 14.21 H new ATOM 0 HA ASP A 106 6.260 -14.736 0.220 1.00 71.01 H new ATOM 0 HB2 ASP A 106 4.700 -12.768 -0.563 1.00 4.22 H new ATOM 0 HB3 ASP A 106 4.047 -14.098 0.372 1.00 4.22 H new ATOM 1799 N GLY A 107 7.272 -11.629 0.787 1.00 33.44 N ATOM 1800 CA GLY A 107 8.175 -10.581 0.343 1.00 23.13 C ATOM 1801 C GLY A 107 7.423 -9.510 -0.451 1.00 31.21 C ATOM 1802 O GLY A 107 8.003 -8.847 -1.309 1.00 13.31 O ATOM 0 H GLY A 107 6.781 -11.429 1.659 1.00 33.44 H new ATOM 0 HA2 GLY A 107 8.661 -10.125 1.206 1.00 23.13 H new ATOM 0 HA3 GLY A 107 8.962 -11.012 -0.276 1.00 23.13 H new ATOM 1806 N PHE A 108 6.143 -9.375 -0.136 1.00 52.33 N ATOM 1807 CA PHE A 108 5.306 -8.396 -0.809 1.00 14.14 C ATOM 1808 C PHE A 108 4.395 -7.676 0.187 1.00 21.33 C ATOM 1809 O PHE A 108 3.691 -8.317 0.965 1.00 22.32 O ATOM 1810 CB PHE A 108 4.442 -9.162 -1.812 1.00 51.42 C ATOM 1811 CG PHE A 108 4.384 -8.522 -3.201 1.00 70.41 C ATOM 1812 CD1 PHE A 108 4.540 -7.177 -3.337 1.00 14.11 C ATOM 1813 CD2 PHE A 108 4.176 -9.296 -4.299 1.00 32.51 C ATOM 1814 CE1 PHE A 108 4.487 -6.583 -4.625 1.00 54.21 C ATOM 1815 CE2 PHE A 108 4.122 -8.702 -5.587 1.00 73.31 C ATOM 1816 CZ PHE A 108 4.279 -7.358 -5.723 1.00 4.21 C ATOM 0 H PHE A 108 5.665 -9.927 0.576 1.00 52.33 H new ATOM 0 HA PHE A 108 5.929 -7.646 -1.297 1.00 14.14 H new ATOM 0 HB2 PHE A 108 4.827 -10.177 -1.907 1.00 51.42 H new ATOM 0 HB3 PHE A 108 3.429 -9.241 -1.417 1.00 51.42 H new ATOM 0 HD1 PHE A 108 4.704 -6.562 -2.465 1.00 14.11 H new ATOM 0 HD2 PHE A 108 4.052 -10.363 -4.191 1.00 32.51 H new ATOM 0 HE1 PHE A 108 4.612 -5.516 -4.733 1.00 54.21 H new ATOM 0 HE2 PHE A 108 3.956 -9.317 -6.459 1.00 73.31 H new ATOM 0 HZ PHE A 108 4.238 -6.906 -6.703 1.00 4.21 H new ATOM 1826 N LEU A 109 4.438 -6.353 0.129 1.00 21.41 N ATOM 1827 CA LEU A 109 3.625 -5.539 1.016 1.00 35.21 C ATOM 1828 C LEU A 109 2.189 -5.494 0.488 1.00 20.13 C ATOM 1829 O LEU A 109 1.961 -5.634 -0.712 1.00 53.12 O ATOM 1830 CB LEU A 109 4.254 -4.157 1.203 1.00 71.00 C ATOM 1831 CG LEU A 109 4.953 -3.914 2.543 1.00 51.53 C ATOM 1832 CD1 LEU A 109 5.311 -2.436 2.713 1.00 10.31 C ATOM 1833 CD2 LEU A 109 4.106 -4.436 3.705 1.00 53.35 C ATOM 0 H LEU A 109 5.023 -5.825 -0.518 1.00 21.41 H new ATOM 0 HA LEU A 109 3.586 -5.983 2.011 1.00 35.21 H new ATOM 0 HB2 LEU A 109 4.978 -3.998 0.404 1.00 71.00 H new ATOM 0 HB3 LEU A 109 3.474 -3.405 1.081 1.00 71.00 H new ATOM 0 HG LEU A 109 5.888 -4.475 2.549 1.00 51.53 H new ATOM 0 HD11 LEU A 109 5.806 -2.290 3.673 1.00 10.31 H new ATOM 0 HD12 LEU A 109 5.980 -2.129 1.909 1.00 10.31 H new ATOM 0 HD13 LEU A 109 4.402 -1.835 2.679 1.00 10.31 H new ATOM 0 HD21 LEU A 109 4.625 -4.251 4.645 1.00 53.35 H new ATOM 0 HD22 LEU A 109 3.145 -3.922 3.714 1.00 53.35 H new ATOM 0 HD23 LEU A 109 3.944 -5.507 3.585 1.00 53.35 H new ATOM 1845 N TYR A 110 1.259 -5.299 1.411 1.00 30.44 N ATOM 1846 CA TYR A 110 -0.148 -5.234 1.053 1.00 32.34 C ATOM 1847 C TYR A 110 -0.839 -4.063 1.756 1.00 41.52 C ATOM 1848 O TYR A 110 -1.073 -4.109 2.962 1.00 5.21 O ATOM 1849 CB TYR A 110 -0.768 -6.544 1.542 1.00 11.21 C ATOM 1850 CG TYR A 110 -0.056 -7.798 1.032 1.00 75.11 C ATOM 1851 CD1 TYR A 110 -0.314 -8.270 -0.239 1.00 65.35 C ATOM 1852 CD2 TYR A 110 0.846 -8.458 1.843 1.00 40.13 C ATOM 1853 CE1 TYR A 110 0.356 -9.450 -0.719 1.00 23.30 C ATOM 1854 CE2 TYR A 110 1.516 -9.638 1.363 1.00 12.12 C ATOM 1855 CZ TYR A 110 1.238 -10.076 0.105 1.00 64.21 C ATOM 1856 OH TYR A 110 1.872 -11.191 -0.348 1.00 75.44 O ATOM 0 H TYR A 110 1.452 -5.184 2.406 1.00 30.44 H new ATOM 0 HA TYR A 110 -0.265 -5.091 -0.021 1.00 32.34 H new ATOM 0 HB2 TYR A 110 -0.761 -6.553 2.632 1.00 11.21 H new ATOM 0 HB3 TYR A 110 -1.812 -6.579 1.230 1.00 11.21 H new ATOM 0 HD1 TYR A 110 -1.019 -7.754 -0.874 1.00 65.35 H new ATOM 0 HD2 TYR A 110 1.049 -8.089 2.837 1.00 40.13 H new ATOM 0 HE1 TYR A 110 0.163 -9.830 -1.711 1.00 23.30 H new ATOM 0 HE2 TYR A 110 2.223 -10.164 1.987 1.00 12.12 H new ATOM 0 HH TYR A 110 1.933 -11.849 0.375 1.00 75.44 H new ATOM 1866 N MET A 111 -1.146 -3.041 0.970 1.00 11.54 N ATOM 1867 CA MET A 111 -1.805 -1.861 1.501 1.00 54.55 C ATOM 1868 C MET A 111 -3.096 -1.563 0.737 1.00 15.42 C ATOM 1869 O MET A 111 -3.160 -1.750 -0.477 1.00 64.01 O ATOM 1870 CB MET A 111 -0.863 -0.660 1.399 1.00 60.14 C ATOM 1871 CG MET A 111 0.563 -1.046 1.800 1.00 4.13 C ATOM 1872 SD MET A 111 1.623 0.388 1.740 1.00 11.21 S ATOM 1873 CE MET A 111 3.094 -0.342 1.041 1.00 41.54 C ATOM 0 H MET A 111 -0.950 -3.006 -0.030 1.00 11.54 H new ATOM 0 HA MET A 111 -2.058 -2.048 2.545 1.00 54.55 H new ATOM 0 HB2 MET A 111 -0.866 -0.276 0.379 1.00 60.14 H new ATOM 0 HB3 MET A 111 -1.221 0.143 2.043 1.00 60.14 H new ATOM 0 HG2 MET A 111 0.565 -1.468 2.805 1.00 4.13 H new ATOM 0 HG3 MET A 111 0.942 -1.817 1.129 1.00 4.13 H new ATOM 0 HE1 MET A 111 3.967 -0.011 1.603 1.00 41.54 H new ATOM 0 HE2 MET A 111 3.021 -1.428 1.092 1.00 41.54 H new ATOM 0 HE3 MET A 111 3.194 -0.034 0.000 1.00 41.54 H new ATOM 1883 N VAL A 112 -4.094 -1.105 1.479 1.00 22.04 N ATOM 1884 CA VAL A 112 -5.380 -0.779 0.886 1.00 51.41 C ATOM 1885 C VAL A 112 -5.638 0.722 1.031 1.00 34.21 C ATOM 1886 O VAL A 112 -5.631 1.252 2.141 1.00 73.33 O ATOM 1887 CB VAL A 112 -6.478 -1.639 1.514 1.00 73.25 C ATOM 1888 CG1 VAL A 112 -7.835 -0.936 1.439 1.00 50.42 C ATOM 1889 CG2 VAL A 112 -6.538 -3.019 0.857 1.00 14.04 C ATOM 0 H VAL A 112 -4.038 -0.952 2.486 1.00 22.04 H new ATOM 0 HA VAL A 112 -5.378 -1.006 -0.180 1.00 51.41 H new ATOM 0 HB VAL A 112 -6.232 -1.780 2.566 1.00 73.25 H new ATOM 0 HG11 VAL A 112 -8.598 -1.569 1.892 1.00 50.42 H new ATOM 0 HG12 VAL A 112 -7.784 0.012 1.975 1.00 50.42 H new ATOM 0 HG13 VAL A 112 -8.091 -0.749 0.396 1.00 50.42 H new ATOM 0 HG21 VAL A 112 -7.327 -3.610 1.323 1.00 14.04 H new ATOM 0 HG22 VAL A 112 -6.748 -2.907 -0.207 1.00 14.04 H new ATOM 0 HG23 VAL A 112 -5.581 -3.525 0.986 1.00 14.04 H new ATOM 1899 N TYR A 113 -5.861 1.364 -0.106 1.00 40.11 N ATOM 1900 CA TYR A 113 -6.121 2.794 -0.119 1.00 64.13 C ATOM 1901 C TYR A 113 -7.611 3.078 -0.321 1.00 45.34 C ATOM 1902 O TYR A 113 -8.322 2.279 -0.928 1.00 34.33 O ATOM 1903 CB TYR A 113 -5.341 3.354 -1.310 1.00 30.31 C ATOM 1904 CG TYR A 113 -5.957 3.019 -2.670 1.00 22.44 C ATOM 1905 CD1 TYR A 113 -7.047 3.731 -3.128 1.00 33.02 C ATOM 1906 CD2 TYR A 113 -5.423 2.005 -3.439 1.00 73.00 C ATOM 1907 CE1 TYR A 113 -7.627 3.416 -4.408 1.00 63.43 C ATOM 1908 CE2 TYR A 113 -6.002 1.690 -4.719 1.00 24.44 C ATOM 1909 CZ TYR A 113 -7.076 2.411 -5.140 1.00 23.23 C ATOM 1910 OH TYR A 113 -7.623 2.114 -6.349 1.00 43.21 O ATOM 0 H TYR A 113 -5.867 0.921 -1.025 1.00 40.11 H new ATOM 0 HA TYR A 113 -5.822 3.247 0.826 1.00 64.13 H new ATOM 0 HB2 TYR A 113 -5.274 4.437 -1.210 1.00 30.31 H new ATOM 0 HB3 TYR A 113 -4.323 2.967 -1.279 1.00 30.31 H new ATOM 0 HD1 TYR A 113 -7.465 4.525 -2.526 1.00 33.02 H new ATOM 0 HD2 TYR A 113 -4.570 1.448 -3.080 1.00 73.00 H new ATOM 0 HE1 TYR A 113 -8.480 3.965 -4.778 1.00 63.43 H new ATOM 0 HE2 TYR A 113 -5.593 0.900 -5.331 1.00 24.44 H new ATOM 0 HH TYR A 113 -7.901 2.942 -6.795 1.00 43.21 H new ATOM 1920 N ALA A 114 -8.039 4.219 0.199 1.00 13.04 N ATOM 1921 CA ALA A 114 -9.432 4.618 0.083 1.00 1.44 C ATOM 1922 C ALA A 114 -9.588 6.056 0.581 1.00 2.12 C ATOM 1923 O ALA A 114 -8.624 6.666 1.041 1.00 24.00 O ATOM 1924 CB ALA A 114 -10.311 3.634 0.856 1.00 12.02 C ATOM 0 H ALA A 114 -7.446 4.880 0.701 1.00 13.04 H new ATOM 0 HA ALA A 114 -9.754 4.593 -0.958 1.00 1.44 H new ATOM 0 HB1 ALA A 114 -11.355 3.933 0.769 1.00 12.02 H new ATOM 0 HB2 ALA A 114 -10.185 2.633 0.444 1.00 12.02 H new ATOM 0 HB3 ALA A 114 -10.020 3.634 1.906 1.00 12.02 H new ATOM 1930 N SER A 115 -10.810 6.556 0.473 1.00 54.31 N ATOM 1931 CA SER A 115 -11.106 7.911 0.907 1.00 61.52 C ATOM 1932 C SER A 115 -11.567 7.904 2.366 1.00 53.55 C ATOM 1933 O SER A 115 -12.348 8.761 2.778 1.00 63.34 O ATOM 1934 CB SER A 115 -12.170 8.555 0.017 1.00 1.23 C ATOM 1935 OG SER A 115 -12.623 9.800 0.541 1.00 60.44 O ATOM 0 H SER A 115 -11.607 6.047 0.091 1.00 54.31 H new ATOM 0 HA SER A 115 -10.195 8.503 0.823 1.00 61.52 H new ATOM 0 HB2 SER A 115 -11.762 8.709 -0.982 1.00 1.23 H new ATOM 0 HB3 SER A 115 -13.016 7.876 -0.086 1.00 1.23 H new ATOM 0 HG SER A 115 -12.600 9.771 1.520 1.00 60.44 H new ATOM 1941 N GLN A 116 -11.065 6.928 3.108 1.00 43.31 N ATOM 1942 CA GLN A 116 -11.416 6.798 4.512 1.00 53.23 C ATOM 1943 C GLN A 116 -10.259 6.172 5.292 1.00 50.42 C ATOM 1944 O GLN A 116 -9.836 5.056 4.994 1.00 70.45 O ATOM 1945 CB GLN A 116 -12.698 5.981 4.683 1.00 2.11 C ATOM 1946 CG GLN A 116 -13.902 6.895 4.925 1.00 21.34 C ATOM 1947 CD GLN A 116 -15.214 6.123 4.777 1.00 22.22 C ATOM 1948 OE1 GLN A 116 -15.936 6.256 3.802 1.00 62.34 O ATOM 1949 NE2 GLN A 116 -15.482 5.309 5.795 1.00 55.11 N ATOM 0 H GLN A 116 -10.418 6.219 2.763 1.00 43.31 H new ATOM 0 HA GLN A 116 -11.603 7.794 4.914 1.00 53.23 H new ATOM 0 HB2 GLN A 116 -12.869 5.376 3.793 1.00 2.11 H new ATOM 0 HB3 GLN A 116 -12.586 5.292 5.520 1.00 2.11 H new ATOM 0 HG2 GLN A 116 -13.841 7.327 5.924 1.00 21.34 H new ATOM 0 HG3 GLN A 116 -13.882 7.724 4.218 1.00 21.34 H new ATOM 0 HE21 GLN A 116 -14.835 5.245 6.581 1.00 55.11 H new ATOM 0 HE22 GLN A 116 -16.335 4.749 5.789 1.00 55.11 H new ATOM 1958 N GLU A 117 -9.779 6.918 6.277 1.00 13.30 N ATOM 1959 CA GLU A 117 -8.679 6.450 7.103 1.00 34.21 C ATOM 1960 C GLU A 117 -9.190 6.041 8.486 1.00 42.32 C ATOM 1961 O GLU A 117 -8.436 5.507 9.298 1.00 54.41 O ATOM 1962 CB GLU A 117 -7.586 7.514 7.215 1.00 4.33 C ATOM 1963 CG GLU A 117 -6.796 7.354 8.515 1.00 44.23 C ATOM 1964 CD GLU A 117 -5.603 8.311 8.553 1.00 34.21 C ATOM 1965 OE1 GLU A 117 -4.695 8.204 7.716 1.00 13.12 O ATOM 1966 OE2 GLU A 117 -5.641 9.193 9.495 1.00 14.44 O ATOM 0 H GLU A 117 -10.132 7.843 6.521 1.00 13.30 H new ATOM 0 HA GLU A 117 -8.240 5.574 6.626 1.00 34.21 H new ATOM 0 HB2 GLU A 117 -6.910 7.437 6.363 1.00 4.33 H new ATOM 0 HB3 GLU A 117 -8.035 8.507 7.178 1.00 4.33 H new ATOM 0 HG2 GLU A 117 -7.448 7.546 9.367 1.00 44.23 H new ATOM 0 HG3 GLU A 117 -6.445 6.326 8.607 1.00 44.23 H new ATOM 1974 N THR A 118 -10.468 6.308 8.712 1.00 32.30 N ATOM 1975 CA THR A 118 -11.089 5.974 9.983 1.00 34.24 C ATOM 1976 C THR A 118 -12.424 5.263 9.754 1.00 33.31 C ATOM 1977 O THR A 118 -13.450 5.672 10.296 1.00 43.32 O ATOM 1978 CB THR A 118 -11.218 7.263 10.798 1.00 61.45 C ATOM 1979 OG1 THR A 118 -11.942 8.143 9.944 1.00 2.53 O ATOM 1980 CG2 THR A 118 -9.874 7.964 11.002 1.00 11.22 C ATOM 0 H THR A 118 -11.090 6.752 8.037 1.00 32.30 H new ATOM 0 HA THR A 118 -10.477 5.273 10.551 1.00 34.24 H new ATOM 0 HB THR A 118 -11.660 7.036 11.768 1.00 61.45 H new ATOM 0 HG1 THR A 118 -12.072 9.003 10.395 1.00 2.53 H new ATOM 0 HG21 THR A 118 -10.022 8.872 11.586 1.00 11.22 H new ATOM 0 HG22 THR A 118 -9.193 7.298 11.533 1.00 11.22 H new ATOM 0 HG23 THR A 118 -9.447 8.222 10.033 1.00 11.22 H new ATOM 2085 N ASP B 337 8.711 -5.248 -15.173 1.00 34.41 N ATOM 2086 CA ASP B 337 9.008 -4.165 -14.251 1.00 41.12 C ATOM 2087 C ASP B 337 7.699 -3.524 -13.785 1.00 44.23 C ATOM 2088 O ASP B 337 6.874 -3.123 -14.604 1.00 22.34 O ATOM 2089 CB ASP B 337 9.849 -3.081 -14.929 1.00 74.41 C ATOM 2090 CG ASP B 337 11.313 -3.455 -15.170 1.00 74.24 C ATOM 2091 OD1 ASP B 337 11.911 -3.073 -16.186 1.00 11.21 O ATOM 2092 OD2 ASP B 337 11.849 -4.182 -14.248 1.00 24.22 O ATOM 0 HA ASP B 337 9.563 -4.580 -13.410 1.00 41.12 H new ATOM 0 HB2 ASP B 337 9.391 -2.832 -15.886 1.00 74.41 H new ATOM 0 HB3 ASP B 337 9.816 -2.180 -14.316 1.00 74.41 H new ATOM 2098 N TRP B 338 7.550 -3.448 -12.471 1.00 31.21 N ATOM 2099 CA TRP B 338 6.355 -2.863 -11.886 1.00 33.50 C ATOM 2100 C TRP B 338 6.381 -1.359 -12.162 1.00 43.13 C ATOM 2101 O TRP B 338 6.957 -0.916 -13.155 1.00 24.04 O ATOM 2102 CB TRP B 338 6.255 -3.196 -10.396 1.00 13.13 C ATOM 2103 CG TRP B 338 6.537 -4.663 -10.065 1.00 73.14 C ATOM 2104 CD1 TRP B 338 6.773 -5.670 -10.917 1.00 63.32 C ATOM 2105 CD2 TRP B 338 6.605 -5.250 -8.748 1.00 60.44 C ATOM 2106 NE1 TRP B 338 6.986 -6.858 -10.249 1.00 24.21 N ATOM 2107 CE2 TRP B 338 6.880 -6.595 -8.888 1.00 21.50 C ATOM 2108 CE3 TRP B 338 6.438 -4.663 -7.481 1.00 41.01 C ATOM 2109 CZ2 TRP B 338 7.014 -7.467 -7.801 1.00 13.12 C ATOM 2110 CZ3 TRP B 338 6.575 -5.548 -6.405 1.00 42.51 C ATOM 2111 CH2 TRP B 338 6.852 -6.905 -6.529 1.00 22.23 C ATOM 0 H TRP B 338 8.237 -3.782 -11.795 1.00 31.21 H new ATOM 0 HA TRP B 338 5.458 -3.284 -12.339 1.00 33.50 H new ATOM 0 HB2 TRP B 338 6.957 -2.569 -9.846 1.00 13.13 H new ATOM 0 HB3 TRP B 338 5.256 -2.940 -10.044 1.00 13.13 H new ATOM 0 HD1 TRP B 338 6.794 -5.565 -11.992 1.00 63.32 H new ATOM 0 HE1 TRP B 338 7.185 -7.763 -10.675 1.00 24.21 H new ATOM 0 HE3 TRP B 338 6.221 -3.613 -7.349 1.00 41.01 H new ATOM 0 HZ2 TRP B 338 7.231 -8.516 -7.936 1.00 13.12 H new ATOM 0 HZ3 TRP B 338 6.457 -5.149 -5.408 1.00 42.51 H new ATOM 0 HH2 TRP B 338 6.942 -7.523 -5.648 1.00 22.23 H new ATOM 2122 N THR B 339 5.750 -0.614 -11.267 1.00 11.15 N ATOM 2123 CA THR B 339 5.694 0.832 -11.402 1.00 63.24 C ATOM 2124 C THR B 339 6.868 1.482 -10.667 1.00 75.25 C ATOM 2125 O THR B 339 7.441 0.887 -9.756 1.00 55.55 O ATOM 2126 CB THR B 339 4.327 1.301 -10.898 1.00 43.14 C ATOM 2127 OG1 THR B 339 3.433 0.964 -11.956 1.00 20.42 O ATOM 2128 CG2 THR B 339 4.230 2.824 -10.800 1.00 73.05 C ATOM 0 H THR B 339 5.273 -0.984 -10.445 1.00 11.15 H new ATOM 0 HA THR B 339 5.795 1.136 -12.444 1.00 63.24 H new ATOM 0 HB THR B 339 4.130 0.861 -9.920 1.00 43.14 H new ATOM 0 HG1 THR B 339 2.966 0.131 -11.737 1.00 20.42 H new ATOM 0 HG21 THR B 339 3.241 3.103 -10.438 1.00 73.05 H new ATOM 0 HG22 THR B 339 4.987 3.193 -10.108 1.00 73.05 H new ATOM 0 HG23 THR B 339 4.393 3.263 -11.784 1.00 73.05 H new ATOM 2136 N HIS B 340 7.190 2.695 -11.091 1.00 23.10 N ATOM 2137 CA HIS B 340 8.286 3.433 -10.485 1.00 53.35 C ATOM 2138 C HIS B 340 7.725 4.523 -9.570 1.00 55.35 C ATOM 2139 O HIS B 340 6.976 5.390 -10.017 1.00 75.31 O ATOM 2140 CB HIS B 340 9.228 3.985 -11.557 1.00 52.13 C ATOM 2141 CG HIS B 340 8.851 3.594 -12.966 1.00 4.34 C ATOM 2142 ND1 HIS B 340 9.203 2.379 -13.527 1.00 2.03 N ATOM 2143 CD2 HIS B 340 8.148 4.269 -13.920 1.00 35.32 C ATOM 2144 CE1 HIS B 340 8.730 2.336 -14.763 1.00 52.42 C ATOM 2145 NE2 HIS B 340 8.077 3.509 -15.006 1.00 32.50 N ATOM 0 H HIS B 340 6.712 3.185 -11.847 1.00 23.10 H new ATOM 0 HA HIS B 340 8.885 2.762 -9.869 1.00 53.35 H new ATOM 0 HB2 HIS B 340 9.246 5.072 -11.485 1.00 52.13 H new ATOM 0 HB3 HIS B 340 10.240 3.635 -11.352 1.00 52.13 H new ATOM 0 HD2 HIS B 340 7.721 5.255 -13.810 1.00 35.32 H new ATOM 0 HE1 HIS B 340 8.842 1.516 -15.457 1.00 52.42 H new ATOM 0 HE2 HIS B 340 7.611 3.760 -15.878 1.00 32.50 H new ATOM 2153 N LEU B 341 8.111 4.445 -8.304 1.00 42.45 N ATOM 2154 CA LEU B 341 7.656 5.414 -7.322 1.00 42.21 C ATOM 2155 C LEU B 341 8.713 6.509 -7.165 1.00 60.12 C ATOM 2156 O LEU B 341 9.545 6.449 -6.262 1.00 1.40 O ATOM 2157 CB LEU B 341 7.294 4.717 -6.009 1.00 45.14 C ATOM 2158 CG LEU B 341 6.130 3.726 -6.075 1.00 73.23 C ATOM 2159 CD1 LEU B 341 4.894 4.284 -5.368 1.00 65.35 C ATOM 2160 CD2 LEU B 341 5.832 3.325 -7.521 1.00 55.44 C ATOM 0 H LEU B 341 8.734 3.726 -7.936 1.00 42.45 H new ATOM 0 HA LEU B 341 6.741 5.899 -7.662 1.00 42.21 H new ATOM 0 HB2 LEU B 341 8.175 4.188 -5.646 1.00 45.14 H new ATOM 0 HB3 LEU B 341 7.054 5.481 -5.269 1.00 45.14 H new ATOM 0 HG LEU B 341 6.422 2.820 -5.544 1.00 73.23 H new ATOM 0 HD11 LEU B 341 4.082 3.560 -5.430 1.00 65.35 H new ATOM 0 HD12 LEU B 341 5.130 4.477 -4.321 1.00 65.35 H new ATOM 0 HD13 LEU B 341 4.589 5.214 -5.848 1.00 65.35 H new ATOM 0 HD21 LEU B 341 5.001 2.620 -7.539 1.00 55.44 H new ATOM 0 HD22 LEU B 341 5.569 4.212 -8.098 1.00 55.44 H new ATOM 0 HD23 LEU B 341 6.714 2.857 -7.958 1.00 55.44 H new ATOM 2172 N SER B 342 8.646 7.484 -8.060 1.00 53.43 N ATOM 2173 CA SER B 342 9.587 8.591 -8.033 1.00 62.22 C ATOM 2174 C SER B 342 9.002 9.756 -7.232 1.00 15.10 C ATOM 2175 O SER B 342 7.862 10.159 -7.458 1.00 21.54 O ATOM 2176 CB SER B 342 9.943 9.047 -9.449 1.00 33.03 C ATOM 2177 OG SER B 342 9.804 7.994 -10.400 1.00 21.10 O ATOM 0 H SER B 342 7.955 7.530 -8.808 1.00 53.43 H new ATOM 0 HA SER B 342 10.502 8.249 -7.550 1.00 62.22 H new ATOM 0 HB2 SER B 342 9.300 9.880 -9.734 1.00 33.03 H new ATOM 0 HB3 SER B 342 10.969 9.416 -9.464 1.00 33.03 H new ATOM 0 HG SER B 342 9.041 8.181 -10.985 1.00 21.10 H new ATOM 2183 N SER B 343 9.808 10.263 -6.311 1.00 0.25 N ATOM 2184 CA SER B 343 9.385 11.373 -5.475 1.00 53.03 C ATOM 2185 C SER B 343 9.728 12.701 -6.155 1.00 5.52 C ATOM 2186 O SER B 343 9.618 13.762 -5.543 1.00 30.55 O ATOM 2187 CB SER B 343 10.036 11.301 -4.092 1.00 24.32 C ATOM 2188 OG SER B 343 10.588 12.554 -3.696 1.00 14.53 O ATOM 0 H SER B 343 10.752 9.925 -6.125 1.00 0.25 H new ATOM 0 HA SER B 343 8.305 11.308 -5.342 1.00 53.03 H new ATOM 0 HB2 SER B 343 9.295 10.983 -3.359 1.00 24.32 H new ATOM 0 HB3 SER B 343 10.821 10.545 -4.100 1.00 24.32 H new ATOM 0 HG SER B 343 9.994 13.279 -3.983 1.00 14.53 H new ATOM 2194 N LYS B 344 10.135 12.597 -7.411 1.00 41.31 N ATOM 2195 CA LYS B 344 10.495 13.776 -8.181 1.00 25.42 C ATOM 2196 C LYS B 344 9.302 14.204 -9.038 1.00 71.41 C ATOM 2197 O LYS B 344 9.201 15.364 -9.433 1.00 5.30 O ATOM 2198 CB LYS B 344 11.771 13.523 -8.985 1.00 31.02 C ATOM 2199 CG LYS B 344 11.755 12.127 -9.612 1.00 5.42 C ATOM 2200 CD LYS B 344 12.498 11.121 -8.730 1.00 64.43 C ATOM 2201 CE LYS B 344 13.259 10.103 -9.581 1.00 14.43 C ATOM 2202 NZ LYS B 344 13.422 8.830 -8.845 1.00 22.20 N ATOM 0 H LYS B 344 10.224 11.715 -7.915 1.00 41.31 H new ATOM 0 HA LYS B 344 10.726 14.609 -7.517 1.00 25.42 H new ATOM 0 HB2 LYS B 344 11.868 14.276 -9.767 1.00 31.02 H new ATOM 0 HB3 LYS B 344 12.641 13.624 -8.336 1.00 31.02 H new ATOM 0 HG2 LYS B 344 10.725 11.800 -9.754 1.00 5.42 H new ATOM 0 HG3 LYS B 344 12.217 12.162 -10.598 1.00 5.42 H new ATOM 0 HD2 LYS B 344 13.194 11.648 -8.078 1.00 64.43 H new ATOM 0 HD3 LYS B 344 11.788 10.603 -8.085 1.00 64.43 H new ATOM 0 HE2 LYS B 344 12.722 9.925 -10.512 1.00 14.43 H new ATOM 0 HE3 LYS B 344 14.237 10.503 -9.849 1.00 14.43 H new ATOM 0 HZ1 LYS B 344 14.361 8.430 -9.046 1.00 22.20 H new ATOM 0 HZ2 LYS B 344 13.332 9.005 -7.824 1.00 22.20 H new ATOM 0 HZ3 LYS B 344 12.688 8.158 -9.147 1.00 22.20 H new ATOM 2215 N GLU B 345 8.428 13.243 -9.301 1.00 53.15 N ATOM 2216 CA GLU B 345 7.246 13.505 -10.104 1.00 4.44 C ATOM 2217 C GLU B 345 6.081 13.933 -9.211 1.00 23.22 C ATOM 2218 O GLU B 345 4.989 14.214 -9.701 1.00 21.12 O ATOM 2219 CB GLU B 345 6.872 12.282 -10.944 1.00 53.02 C ATOM 2220 CG GLU B 345 8.111 11.667 -11.599 1.00 14.22 C ATOM 2221 CD GLU B 345 7.767 10.345 -12.289 1.00 0.42 C ATOM 2222 OE1 GLU B 345 7.795 10.266 -13.526 1.00 61.52 O ATOM 2223 OE2 GLU B 345 7.463 9.377 -11.493 1.00 24.43 O ATOM 0 H GLU B 345 8.515 12.282 -8.972 1.00 53.15 H new ATOM 0 HA GLU B 345 7.471 14.322 -10.790 1.00 4.44 H new ATOM 0 HB2 GLU B 345 6.383 11.539 -10.314 1.00 53.02 H new ATOM 0 HB3 GLU B 345 6.155 12.570 -11.713 1.00 53.02 H new ATOM 0 HG2 GLU B 345 8.526 12.364 -12.327 1.00 14.22 H new ATOM 0 HG3 GLU B 345 8.880 11.499 -10.845 1.00 14.22 H new ATOM 2231 N VAL B 346 6.354 13.970 -7.914 1.00 4.42 N ATOM 2232 CA VAL B 346 5.341 14.359 -6.948 1.00 33.24 C ATOM 2233 C VAL B 346 5.182 15.881 -6.968 1.00 64.22 C ATOM 2234 O VAL B 346 6.000 16.587 -7.554 1.00 4.44 O ATOM 2235 CB VAL B 346 5.702 13.814 -5.564 1.00 73.12 C ATOM 2236 CG1 VAL B 346 6.079 12.333 -5.640 1.00 34.11 C ATOM 2237 CG2 VAL B 346 6.825 14.635 -4.927 1.00 13.23 C ATOM 0 H VAL B 346 7.261 13.737 -7.511 1.00 4.42 H new ATOM 0 HA VAL B 346 4.375 13.927 -7.211 1.00 33.24 H new ATOM 0 HB VAL B 346 4.821 13.903 -4.928 1.00 73.12 H new ATOM 0 HG11 VAL B 346 6.331 11.970 -4.644 1.00 34.11 H new ATOM 0 HG12 VAL B 346 5.237 11.763 -6.031 1.00 34.11 H new ATOM 0 HG13 VAL B 346 6.938 12.210 -6.299 1.00 34.11 H new ATOM 0 HG21 VAL B 346 7.062 14.227 -3.945 1.00 13.23 H new ATOM 0 HG22 VAL B 346 7.711 14.593 -5.561 1.00 13.23 H new ATOM 0 HG23 VAL B 346 6.503 15.671 -4.821 1.00 13.23 H new ATOM 2247 N ASP B 347 4.122 16.341 -6.319 1.00 64.45 N ATOM 2248 CA ASP B 347 3.845 17.766 -6.255 1.00 13.23 C ATOM 2249 C ASP B 347 4.957 18.463 -5.469 1.00 41.10 C ATOM 2250 O ASP B 347 5.413 19.539 -5.854 1.00 60.02 O ATOM 2251 CB ASP B 347 2.519 18.038 -5.540 1.00 11.14 C ATOM 2252 CG ASP B 347 1.996 19.469 -5.671 1.00 55.41 C ATOM 2253 OD1 ASP B 347 1.681 20.128 -4.669 1.00 44.22 O ATOM 2254 OD2 ASP B 347 1.914 19.912 -6.880 1.00 54.24 O ATOM 0 H ASP B 347 3.445 15.752 -5.833 1.00 64.45 H new ATOM 0 HA ASP B 347 3.789 18.144 -7.276 1.00 13.23 H new ATOM 0 HB2 ASP B 347 1.766 17.355 -5.931 1.00 11.14 H new ATOM 0 HB3 ASP B 347 2.640 17.807 -4.482 1.00 11.14 H new