USER MOD reduce.3.24.130724 H: found=0, std=0, add=705, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 580 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 84 GLN : amide:sc= -0.554 K(o=-1.9,f=-11!) USER MOD Set 1.2: A 90 ASN : amide:sc= -1.3 K(o=-1.9,f=-9.8!) USER MOD Set 2.1: A 82 GLN : amide:sc= 1.01 K(o=0.88,f=0.091) USER MOD Set 2.2: A 85 GLN : amide:sc= -0.128 X(o=0.88,f=1) USER MOD Set 3.1: A 69 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 72 MET CE :methyl 141:sc= -0.047 (180deg=-0.274) USER MOD Set 4.1: A 61 SER OG : rot 102:sc= 0.578 USER MOD Set 4.2: A 64 LYS NZ :NH3+ 140:sc= 0.655 (180deg=-0.00813) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 ASN : amide:sc= -0.0232 X(o=-0.023,f=0) USER MOD Single : A 36 GLN : amide:sc= 1.18 K(o=1.2,f=-11!) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 GLN : amide:sc= -0.0455 X(o=-0.045,f=-0.057) USER MOD Single : A 54 ASN : amide:sc= 0.664 K(o=0.66,f=-0.016) USER MOD Single : A 56 GLN : amide:sc= 0.184 X(o=0.18,f=-0.21) USER MOD Single : A 62 MET CE :methyl -156:sc= -0.0439 (180deg=-0.46) USER MOD Single : A 65 LYS NZ :NH3+ -164:sc= 0 (180deg=-0.117) USER MOD Single : A 66 GLN : amide:sc= -0.603 X(o=-0.6,f=-0.98) USER MOD Single : A 68 THR OG1 : rot 130:sc= 0 USER MOD Single : A 74 THR OG1 : rot 170:sc= -0.0264 USER MOD Single : A 77 GLN : amide:sc= -1.99 X(o=-2,f=-2!) USER MOD Single : A 80 TYR OH : rot 123:sc= 0.328 USER MOD Single : A 87 ASN : amide:sc= 0.87 K(o=0.87,f=-0.043) USER MOD Single : A 89 ASN : amide:sc= -0.204 X(o=-0.2,f=0) USER MOD Single : A 92 THR OG1 : rot 180:sc= 0.0339 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 MET CE :methyl 180:sc=-0.00989 (180deg=-0.00989) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 279 N VAL A 21 -9.827 9.202 4.629 1.00 53.30 N ATOM 280 CA VAL A 21 -9.815 7.891 5.261 1.00 23.13 C ATOM 281 C VAL A 21 -8.729 7.029 4.619 1.00 74.21 C ATOM 282 O VAL A 21 -8.496 7.101 3.408 1.00 53.14 O ATOM 283 CB VAL A 21 -11.244 7.316 5.255 1.00 63.51 C ATOM 284 CG1 VAL A 21 -11.950 7.366 3.889 1.00 41.23 C ATOM 285 CG2 VAL A 21 -11.306 5.883 5.798 1.00 23.41 C ATOM 0 HA VAL A 21 -9.539 7.936 6.314 1.00 23.13 H new ATOM 0 HB VAL A 21 -11.785 7.984 5.925 1.00 63.51 H new ATOM 0 HG11 VAL A 21 -12.949 6.940 3.980 1.00 41.23 H new ATOM 0 HG12 VAL A 21 -12.025 8.401 3.556 1.00 41.23 H new ATOM 0 HG13 VAL A 21 -11.376 6.792 3.162 1.00 41.23 H new ATOM 0 HG21 VAL A 21 -12.336 5.528 5.771 1.00 23.41 H new ATOM 0 HG22 VAL A 21 -10.682 5.234 5.184 1.00 23.41 H new ATOM 0 HG23 VAL A 21 -10.944 5.867 6.826 1.00 23.41 H new ATOM 295 N LEU A 22 -8.021 6.259 5.451 1.00 32.42 N ATOM 296 CA LEU A 22 -6.968 5.366 4.985 1.00 32.54 C ATOM 297 C LEU A 22 -7.617 4.202 4.220 1.00 64.40 C ATOM 298 O LEU A 22 -8.661 3.714 4.661 1.00 20.55 O ATOM 299 CB LEU A 22 -6.169 4.795 6.172 1.00 24.24 C ATOM 300 CG LEU A 22 -5.574 5.810 7.161 1.00 4.35 C ATOM 301 CD1 LEU A 22 -4.805 5.087 8.271 1.00 24.51 C ATOM 302 CD2 LEU A 22 -4.618 6.779 6.472 1.00 33.53 C ATOM 0 H LEU A 22 -8.164 6.240 6.461 1.00 32.42 H new ATOM 0 HA LEU A 22 -6.288 5.925 4.342 1.00 32.54 H new ATOM 0 HB2 LEU A 22 -6.822 4.122 6.728 1.00 24.24 H new ATOM 0 HB3 LEU A 22 -5.354 4.191 5.773 1.00 24.24 H new ATOM 0 HG LEU A 22 -6.410 6.371 7.579 1.00 4.35 H new ATOM 0 HD11 LEU A 22 -4.390 5.820 8.963 1.00 24.51 H new ATOM 0 HD12 LEU A 22 -5.481 4.423 8.809 1.00 24.51 H new ATOM 0 HD13 LEU A 22 -3.996 4.503 7.832 1.00 24.51 H new ATOM 0 HD21 LEU A 22 -4.219 7.480 7.205 1.00 33.53 H new ATOM 0 HD22 LEU A 22 -3.798 6.221 6.020 1.00 33.53 H new ATOM 0 HD23 LEU A 22 -5.153 7.329 5.698 1.00 33.53 H new ATOM 313 N PRO A 23 -6.989 3.688 3.151 1.00 64.54 N ATOM 314 CA PRO A 23 -7.529 2.562 2.393 1.00 13.02 C ATOM 315 C PRO A 23 -7.553 1.248 3.212 1.00 13.12 C ATOM 316 O PRO A 23 -6.902 1.157 4.260 1.00 24.35 O ATOM 317 CB PRO A 23 -6.671 2.482 1.124 1.00 43.40 C ATOM 318 CG PRO A 23 -5.374 3.195 1.482 1.00 43.10 C ATOM 319 CD PRO A 23 -5.802 4.235 2.509 1.00 71.51 C ATOM 0 HA PRO A 23 -8.579 2.711 2.140 1.00 13.02 H new ATOM 0 HB2 PRO A 23 -6.486 1.447 0.837 1.00 43.40 H new ATOM 0 HB3 PRO A 23 -7.167 2.963 0.281 1.00 43.40 H new ATOM 0 HG2 PRO A 23 -4.639 2.504 1.895 1.00 43.10 H new ATOM 0 HG3 PRO A 23 -4.919 3.660 0.608 1.00 43.10 H new ATOM 0 HD2 PRO A 23 -5.011 4.415 3.237 1.00 71.51 H new ATOM 0 HD3 PRO A 23 -6.020 5.190 2.032 1.00 71.51 H new ATOM 324 N PRO A 24 -8.302 0.224 2.755 1.00 73.30 N ATOM 325 CA PRO A 24 -8.509 -1.035 3.476 1.00 13.02 C ATOM 326 C PRO A 24 -7.258 -1.933 3.508 1.00 52.24 C ATOM 327 O PRO A 24 -6.219 -1.606 2.921 1.00 24.53 O ATOM 328 CB PRO A 24 -9.708 -1.701 2.784 1.00 51.43 C ATOM 329 CG PRO A 24 -9.699 -1.127 1.371 1.00 74.54 C ATOM 330 CD PRO A 24 -9.139 0.273 1.563 1.00 52.00 C ATOM 0 HA PRO A 24 -8.707 -0.854 4.533 1.00 13.02 H new ATOM 0 HB2 PRO A 24 -9.607 -2.786 2.772 1.00 51.43 H new ATOM 0 HB3 PRO A 24 -10.641 -1.473 3.299 1.00 51.43 H new ATOM 0 HG2 PRO A 24 -9.077 -1.720 0.700 1.00 74.54 H new ATOM 0 HG3 PRO A 24 -10.700 -1.104 0.940 1.00 74.54 H new ATOM 0 HD2 PRO A 24 -8.558 0.581 0.694 1.00 52.00 H new ATOM 0 HD3 PRO A 24 -9.943 0.999 1.683 1.00 52.00 H new ATOM 335 N THR A 25 -7.342 -3.083 4.192 1.00 63.12 N ATOM 336 CA THR A 25 -6.211 -3.996 4.417 1.00 71.44 C ATOM 337 C THR A 25 -6.635 -5.473 4.437 1.00 64.32 C ATOM 338 O THR A 25 -7.817 -5.745 4.667 1.00 64.53 O ATOM 339 CB THR A 25 -5.506 -3.626 5.739 1.00 35.31 C ATOM 340 OG1 THR A 25 -6.341 -2.888 6.625 1.00 15.23 O ATOM 341 CG2 THR A 25 -4.244 -2.826 5.427 1.00 22.11 C ATOM 0 H THR A 25 -8.212 -3.411 4.612 1.00 63.12 H new ATOM 0 HA THR A 25 -5.524 -3.878 3.579 1.00 71.44 H new ATOM 0 HB THR A 25 -5.255 -4.557 6.248 1.00 35.31 H new ATOM 0 HG1 THR A 25 -5.846 -2.682 7.445 1.00 15.23 H new ATOM 0 HG21 THR A 25 -3.741 -2.562 6.357 1.00 22.11 H new ATOM 0 HG22 THR A 25 -3.575 -3.427 4.811 1.00 22.11 H new ATOM 0 HG23 THR A 25 -4.513 -1.917 4.889 1.00 22.11 H new ATOM 349 N PRO A 26 -5.693 -6.427 4.259 1.00 71.13 N ATOM 350 CA PRO A 26 -6.019 -7.847 4.281 1.00 61.50 C ATOM 351 C PRO A 26 -6.387 -8.276 5.703 1.00 22.21 C ATOM 352 O PRO A 26 -5.930 -7.678 6.683 1.00 32.55 O ATOM 353 CB PRO A 26 -4.762 -8.581 3.806 1.00 3.45 C ATOM 354 CG PRO A 26 -3.616 -7.631 4.166 1.00 31.11 C ATOM 355 CD PRO A 26 -4.242 -6.239 4.228 1.00 24.55 C ATOM 0 HA PRO A 26 -6.871 -8.075 3.641 1.00 61.50 H new ATOM 0 HB2 PRO A 26 -4.652 -9.545 4.303 1.00 3.45 H new ATOM 0 HB3 PRO A 26 -4.796 -8.777 2.734 1.00 3.45 H new ATOM 0 HG2 PRO A 26 -3.167 -7.902 5.122 1.00 31.11 H new ATOM 0 HG3 PRO A 26 -2.823 -7.672 3.419 1.00 31.11 H new ATOM 0 HD2 PRO A 26 -3.903 -5.702 5.114 1.00 24.55 H new ATOM 0 HD3 PRO A 26 -3.948 -5.644 3.363 1.00 24.55 H new ATOM 360 N LYS A 27 -7.159 -9.357 5.834 1.00 0.11 N ATOM 361 CA LYS A 27 -7.688 -9.814 7.120 1.00 54.11 C ATOM 362 C LYS A 27 -6.669 -10.610 7.931 1.00 0.02 C ATOM 363 O LYS A 27 -6.950 -11.717 8.388 1.00 4.01 O ATOM 364 CB LYS A 27 -9.048 -10.513 6.945 1.00 23.51 C ATOM 365 CG LYS A 27 -8.977 -11.764 6.061 1.00 1.44 C ATOM 366 CD LYS A 27 -10.339 -12.472 6.019 1.00 60.11 C ATOM 367 CE LYS A 27 -10.210 -13.914 5.515 1.00 21.32 C ATOM 368 NZ LYS A 27 -9.931 -14.853 6.620 1.00 23.55 N ATOM 0 H LYS A 27 -7.436 -9.943 5.046 1.00 0.11 H new ATOM 0 HA LYS A 27 -7.881 -8.933 7.732 1.00 54.11 H new ATOM 0 HB2 LYS A 27 -9.435 -10.791 7.925 1.00 23.51 H new ATOM 0 HB3 LYS A 27 -9.757 -9.809 6.510 1.00 23.51 H new ATOM 0 HG2 LYS A 27 -8.674 -11.486 5.052 1.00 1.44 H new ATOM 0 HG3 LYS A 27 -8.218 -12.445 6.446 1.00 1.44 H new ATOM 0 HD2 LYS A 27 -10.780 -12.472 7.016 1.00 60.11 H new ATOM 0 HD3 LYS A 27 -11.018 -11.918 5.370 1.00 60.11 H new ATOM 0 HE2 LYS A 27 -11.131 -14.208 5.011 1.00 21.32 H new ATOM 0 HE3 LYS A 27 -9.410 -13.972 4.777 1.00 21.32 H new ATOM 0 HZ1 LYS A 27 -9.850 -15.819 6.243 1.00 23.55 H new ATOM 0 HZ2 LYS A 27 -9.040 -14.587 7.085 1.00 23.55 H new ATOM 0 HZ3 LYS A 27 -10.707 -14.815 7.312 1.00 23.55 H new ATOM 378 N ASN A 28 -5.473 -10.058 8.104 1.00 61.14 N ATOM 379 CA ASN A 28 -4.375 -10.689 8.790 1.00 12.41 C ATOM 380 C ASN A 28 -3.777 -9.770 9.842 1.00 51.24 C ATOM 381 O ASN A 28 -3.520 -10.248 10.943 1.00 60.14 O ATOM 382 CB ASN A 28 -3.344 -11.197 7.779 1.00 12.33 C ATOM 383 CG ASN A 28 -3.896 -12.415 7.054 1.00 22.11 C ATOM 384 OD1 ASN A 28 -3.955 -13.504 7.615 1.00 40.12 O ATOM 385 ND2 ASN A 28 -4.370 -12.242 5.833 1.00 74.54 N ATOM 0 H ASN A 28 -5.244 -9.127 7.755 1.00 61.14 H new ATOM 0 HA ASN A 28 -4.747 -11.558 9.333 1.00 12.41 H new ATOM 0 HB2 ASN A 28 -3.106 -10.412 7.062 1.00 12.33 H new ATOM 0 HB3 ASN A 28 -2.416 -11.455 8.289 1.00 12.33 H new ATOM 0 HD21 ASN A 28 -4.797 -13.024 5.336 1.00 74.54 H new ATOM 0 HD22 ASN A 28 -4.309 -11.327 5.387 1.00 74.54 H new ATOM 391 N ILE A 29 -3.509 -8.487 9.545 1.00 0.45 N ATOM 392 CA ILE A 29 -2.712 -7.619 10.424 1.00 24.31 C ATOM 393 C ILE A 29 -3.163 -6.140 10.279 1.00 41.12 C ATOM 394 O ILE A 29 -3.905 -5.836 9.338 1.00 2.13 O ATOM 395 CB ILE A 29 -1.201 -7.811 10.121 1.00 4.03 C ATOM 396 CG1 ILE A 29 -0.706 -7.134 8.834 1.00 34.33 C ATOM 397 CG2 ILE A 29 -0.746 -9.277 10.120 1.00 51.33 C ATOM 398 CD1 ILE A 29 -1.327 -7.605 7.531 1.00 34.54 C ATOM 0 H ILE A 29 -3.836 -8.027 8.696 1.00 0.45 H new ATOM 0 HA ILE A 29 -2.877 -7.899 11.465 1.00 24.31 H new ATOM 0 HB ILE A 29 -0.737 -7.299 10.964 1.00 4.03 H new ATOM 0 HG12 ILE A 29 -0.880 -6.062 8.925 1.00 34.33 H new ATOM 0 HG13 ILE A 29 0.373 -7.277 8.768 1.00 34.33 H new ATOM 0 HG21 ILE A 29 0.321 -9.327 9.901 1.00 51.33 H new ATOM 0 HG22 ILE A 29 -0.936 -9.718 11.099 1.00 51.33 H new ATOM 0 HG23 ILE A 29 -1.299 -9.829 9.360 1.00 51.33 H new ATOM 0 HD11 ILE A 29 -0.893 -7.050 6.699 1.00 34.54 H new ATOM 0 HD12 ILE A 29 -1.131 -8.669 7.398 1.00 34.54 H new ATOM 0 HD13 ILE A 29 -2.403 -7.435 7.558 1.00 34.54 H new ATOM 409 N PRO A 30 -2.783 -5.227 11.195 1.00 4.34 N ATOM 410 CA PRO A 30 -3.091 -3.790 11.101 1.00 23.53 C ATOM 411 C PRO A 30 -2.159 -3.038 10.137 1.00 73.44 C ATOM 412 O PRO A 30 -1.130 -3.586 9.751 1.00 12.32 O ATOM 413 CB PRO A 30 -2.960 -3.269 12.533 1.00 41.12 C ATOM 414 CG PRO A 30 -1.917 -4.186 13.160 1.00 0.33 C ATOM 415 CD PRO A 30 -2.171 -5.530 12.483 1.00 33.43 C ATOM 0 HA PRO A 30 -4.087 -3.629 10.689 1.00 23.53 H new ATOM 0 HB2 PRO A 30 -2.640 -2.227 12.552 1.00 41.12 H new ATOM 0 HB3 PRO A 30 -3.910 -3.320 13.066 1.00 41.12 H new ATOM 0 HG2 PRO A 30 -0.904 -3.828 12.974 1.00 0.33 H new ATOM 0 HG3 PRO A 30 -2.039 -4.252 14.241 1.00 0.33 H new ATOM 0 HD2 PRO A 30 -1.240 -6.082 12.352 1.00 33.43 H new ATOM 0 HD3 PRO A 30 -2.828 -6.153 13.089 1.00 33.43 H new ATOM 420 N LEU A 31 -2.461 -1.773 9.805 1.00 32.23 N ATOM 421 CA LEU A 31 -1.623 -0.870 8.996 1.00 24.25 C ATOM 422 C LEU A 31 -0.146 -0.919 9.419 1.00 1.04 C ATOM 423 O LEU A 31 0.678 -1.345 8.608 1.00 55.40 O ATOM 424 CB LEU A 31 -2.209 0.567 8.991 1.00 21.42 C ATOM 425 CG LEU A 31 -1.536 1.635 8.098 1.00 4.24 C ATOM 426 CD1 LEU A 31 -0.363 2.351 8.774 1.00 1.44 C ATOM 427 CD2 LEU A 31 -1.091 1.110 6.730 1.00 41.33 C ATOM 0 H LEU A 31 -3.331 -1.332 10.104 1.00 32.23 H new ATOM 0 HA LEU A 31 -1.641 -1.223 7.965 1.00 24.25 H new ATOM 0 HB2 LEU A 31 -3.255 0.497 8.693 1.00 21.42 H new ATOM 0 HB3 LEU A 31 -2.193 0.935 10.017 1.00 21.42 H new ATOM 0 HG LEU A 31 -2.333 2.361 7.937 1.00 4.24 H new ATOM 0 HD11 LEU A 31 0.059 3.085 8.088 1.00 1.44 H new ATOM 0 HD12 LEU A 31 -0.715 2.855 9.674 1.00 1.44 H new ATOM 0 HD13 LEU A 31 0.402 1.623 9.042 1.00 1.44 H new ATOM 0 HD21 LEU A 31 -0.629 1.918 6.163 1.00 41.33 H new ATOM 0 HD22 LEU A 31 -0.370 0.304 6.867 1.00 41.33 H new ATOM 0 HD23 LEU A 31 -1.957 0.734 6.185 1.00 41.33 H new ATOM 438 N PRO A 32 0.231 -0.595 10.674 1.00 33.21 N ATOM 439 CA PRO A 32 1.618 -0.639 11.127 1.00 24.44 C ATOM 440 C PRO A 32 2.227 -2.051 11.208 1.00 63.44 C ATOM 441 O PRO A 32 3.330 -2.197 11.741 1.00 55.40 O ATOM 442 CB PRO A 32 1.636 0.085 12.475 1.00 43.31 C ATOM 443 CG PRO A 32 0.251 -0.218 13.022 1.00 2.04 C ATOM 444 CD PRO A 32 -0.590 -0.070 11.760 1.00 0.03 C ATOM 0 HA PRO A 32 2.258 -0.151 10.392 1.00 24.44 H new ATOM 0 HB2 PRO A 32 2.423 -0.291 13.129 1.00 43.31 H new ATOM 0 HB3 PRO A 32 1.803 1.156 12.360 1.00 43.31 H new ATOM 0 HG2 PRO A 32 0.184 -1.219 13.448 1.00 2.04 H new ATOM 0 HG3 PRO A 32 -0.048 0.482 13.803 1.00 2.04 H new ATOM 0 HD2 PRO A 32 -1.525 -0.623 11.846 1.00 0.03 H new ATOM 0 HD3 PRO A 32 -0.851 0.973 11.584 1.00 0.03 H new ATOM 449 N ALA A 33 1.530 -3.098 10.758 1.00 32.21 N ATOM 450 CA ALA A 33 2.078 -4.427 10.552 1.00 72.30 C ATOM 451 C ALA A 33 2.134 -4.766 9.070 1.00 22.44 C ATOM 452 O ALA A 33 3.157 -5.284 8.631 1.00 42.42 O ATOM 453 CB ALA A 33 1.263 -5.441 11.334 1.00 41.41 C ATOM 0 H ALA A 33 0.540 -3.035 10.522 1.00 32.21 H new ATOM 0 HA ALA A 33 3.103 -4.455 10.922 1.00 72.30 H new ATOM 0 HB1 ALA A 33 1.676 -6.438 11.178 1.00 41.41 H new ATOM 0 HB2 ALA A 33 1.298 -5.196 12.395 1.00 41.41 H new ATOM 0 HB3 ALA A 33 0.229 -5.419 10.991 1.00 41.41 H new ATOM 459 N PHE A 34 1.098 -4.423 8.298 1.00 62.33 N ATOM 460 CA PHE A 34 0.983 -4.725 6.870 1.00 32.15 C ATOM 461 C PHE A 34 2.113 -4.106 6.048 1.00 0.33 C ATOM 462 O PHE A 34 2.328 -4.496 4.907 1.00 35.53 O ATOM 463 CB PHE A 34 -0.395 -4.279 6.337 1.00 0.33 C ATOM 464 CG PHE A 34 -0.678 -4.606 4.871 1.00 33.41 C ATOM 465 CD1 PHE A 34 -0.375 -5.865 4.313 1.00 2.42 C ATOM 466 CD2 PHE A 34 -1.225 -3.618 4.036 1.00 60.34 C ATOM 467 CE1 PHE A 34 -0.590 -6.116 2.948 1.00 62.23 C ATOM 468 CE2 PHE A 34 -1.472 -3.874 2.674 1.00 32.12 C ATOM 469 CZ PHE A 34 -1.139 -5.121 2.124 1.00 13.31 C ATOM 0 H PHE A 34 0.293 -3.913 8.661 1.00 62.33 H new ATOM 0 HA PHE A 34 1.073 -5.806 6.759 1.00 32.15 H new ATOM 0 HB2 PHE A 34 -1.168 -4.743 6.949 1.00 0.33 H new ATOM 0 HB3 PHE A 34 -0.485 -3.201 6.473 1.00 0.33 H new ATOM 0 HD1 PHE A 34 0.027 -6.645 4.942 1.00 2.42 H new ATOM 0 HD2 PHE A 34 -1.460 -2.647 4.445 1.00 60.34 H new ATOM 0 HE1 PHE A 34 -0.332 -7.078 2.531 1.00 62.23 H new ATOM 0 HE2 PHE A 34 -1.918 -3.111 2.053 1.00 32.12 H new ATOM 0 HZ PHE A 34 -1.304 -5.314 1.074 1.00 13.31 H new ATOM 478 N GLY A 35 2.849 -3.158 6.619 1.00 71.51 N ATOM 479 CA GLY A 35 4.020 -2.544 6.050 1.00 75.23 C ATOM 480 C GLY A 35 5.235 -3.140 6.736 1.00 15.35 C ATOM 481 O GLY A 35 5.979 -3.927 6.162 1.00 74.32 O ATOM 0 H GLY A 35 2.623 -2.785 7.541 1.00 71.51 H new ATOM 0 HA2 GLY A 35 4.062 -2.723 4.976 1.00 75.23 H new ATOM 0 HA3 GLY A 35 3.992 -1.464 6.192 1.00 75.23 H new ATOM 485 N GLN A 36 5.403 -2.772 8.001 1.00 15.23 N ATOM 486 CA GLN A 36 6.556 -3.017 8.843 1.00 33.51 C ATOM 487 C GLN A 36 6.961 -4.489 8.774 1.00 40.13 C ATOM 488 O GLN A 36 8.076 -4.808 8.371 1.00 53.11 O ATOM 489 CB GLN A 36 6.209 -2.628 10.291 1.00 35.42 C ATOM 490 CG GLN A 36 6.111 -1.142 10.689 1.00 4.32 C ATOM 491 CD GLN A 36 5.027 -0.239 10.074 1.00 71.12 C ATOM 492 OE1 GLN A 36 4.507 -0.446 8.986 1.00 75.51 O ATOM 493 NE2 GLN A 36 4.652 0.830 10.753 1.00 52.03 N ATOM 0 H GLN A 36 4.677 -2.255 8.498 1.00 15.23 H new ATOM 0 HA GLN A 36 7.396 -2.416 8.494 1.00 33.51 H new ATOM 0 HB2 GLN A 36 5.252 -3.091 10.530 1.00 35.42 H new ATOM 0 HB3 GLN A 36 6.956 -3.088 10.938 1.00 35.42 H new ATOM 0 HG2 GLN A 36 5.984 -1.106 11.771 1.00 4.32 H new ATOM 0 HG3 GLN A 36 7.075 -0.685 10.466 1.00 4.32 H new ATOM 0 HE21 GLN A 36 5.068 1.028 11.663 1.00 52.03 H new ATOM 0 HE22 GLN A 36 3.946 1.457 10.367 1.00 52.03 H new ATOM 500 N ARG A 37 6.046 -5.380 9.163 1.00 12.12 N ATOM 501 CA ARG A 37 6.319 -6.792 9.402 1.00 61.13 C ATOM 502 C ARG A 37 6.108 -7.637 8.141 1.00 52.23 C ATOM 503 O ARG A 37 5.970 -8.855 8.261 1.00 64.52 O ATOM 504 CB ARG A 37 5.451 -7.304 10.570 1.00 71.54 C ATOM 505 CG ARG A 37 5.443 -6.424 11.832 1.00 21.41 C ATOM 506 CD ARG A 37 5.153 -7.248 13.096 1.00 43.23 C ATOM 507 NE ARG A 37 6.395 -7.781 13.665 1.00 43.10 N ATOM 508 CZ ARG A 37 6.522 -8.648 14.673 1.00 40.23 C ATOM 509 NH1 ARG A 37 5.451 -9.168 15.270 1.00 20.13 N ATOM 510 NH2 ARG A 37 7.741 -8.982 15.087 1.00 42.12 N ATOM 0 H ARG A 37 5.071 -5.129 9.324 1.00 12.12 H new ATOM 0 HA ARG A 37 7.370 -6.893 9.674 1.00 61.13 H new ATOM 0 HB2 ARG A 37 4.425 -7.410 10.217 1.00 71.54 H new ATOM 0 HB3 ARG A 37 5.797 -8.300 10.846 1.00 71.54 H new ATOM 0 HG2 ARG A 37 6.407 -5.926 11.935 1.00 21.41 H new ATOM 0 HG3 ARG A 37 4.691 -5.642 11.726 1.00 21.41 H new ATOM 0 HD2 ARG A 37 4.647 -6.625 13.834 1.00 43.23 H new ATOM 0 HD3 ARG A 37 4.477 -8.068 12.854 1.00 43.23 H new ATOM 0 HE ARG A 37 7.263 -7.451 13.242 1.00 43.10 H new ATOM 0 HH11 ARG A 37 4.516 -8.905 14.959 1.00 20.13 H new ATOM 0 HH12 ARG A 37 5.566 -9.829 16.038 1.00 20.13 H new ATOM 0 HH21 ARG A 37 8.561 -8.577 14.636 1.00 42.12 H new ATOM 0 HH22 ARG A 37 7.855 -9.643 15.856 1.00 42.12 H new ATOM 521 N ILE A 38 6.006 -7.024 6.957 1.00 4.12 N ATOM 522 CA ILE A 38 5.649 -7.690 5.705 1.00 40.22 C ATOM 523 C ILE A 38 6.560 -7.157 4.595 1.00 12.15 C ATOM 524 O ILE A 38 7.388 -7.886 4.053 1.00 71.53 O ATOM 525 CB ILE A 38 4.150 -7.440 5.398 1.00 44.10 C ATOM 526 CG1 ILE A 38 3.173 -7.941 6.474 1.00 40.10 C ATOM 527 CG2 ILE A 38 3.722 -7.999 4.039 1.00 51.24 C ATOM 528 CD1 ILE A 38 3.010 -9.444 6.617 1.00 23.13 C ATOM 0 H ILE A 38 6.174 -6.025 6.843 1.00 4.12 H new ATOM 0 HA ILE A 38 5.792 -8.768 5.779 1.00 40.22 H new ATOM 0 HB ILE A 38 4.084 -6.352 5.385 1.00 44.10 H new ATOM 0 HG12 ILE A 38 3.497 -7.543 7.436 1.00 40.10 H new ATOM 0 HG13 ILE A 38 2.192 -7.513 6.266 1.00 40.10 H new ATOM 0 HG21 ILE A 38 2.663 -7.795 3.879 1.00 51.24 H new ATOM 0 HG22 ILE A 38 4.307 -7.525 3.250 1.00 51.24 H new ATOM 0 HG23 ILE A 38 3.891 -9.076 4.019 1.00 51.24 H new ATOM 0 HD11 ILE A 38 2.294 -9.658 7.410 1.00 23.13 H new ATOM 0 HD12 ILE A 38 2.647 -9.862 5.678 1.00 23.13 H new ATOM 0 HD13 ILE A 38 3.972 -9.892 6.866 1.00 23.13 H new ATOM 539 N ILE A 39 6.395 -5.879 4.259 1.00 73.32 N ATOM 540 CA ILE A 39 7.078 -5.162 3.192 1.00 1.43 C ATOM 541 C ILE A 39 8.546 -4.926 3.576 1.00 24.35 C ATOM 542 O ILE A 39 9.392 -4.744 2.705 1.00 0.05 O ATOM 543 CB ILE A 39 6.341 -3.815 2.941 1.00 13.03 C ATOM 544 CG1 ILE A 39 4.802 -3.922 2.799 1.00 72.52 C ATOM 545 CG2 ILE A 39 6.894 -3.078 1.717 1.00 41.12 C ATOM 546 CD1 ILE A 39 4.275 -4.743 1.625 1.00 2.01 C ATOM 0 H ILE A 39 5.737 -5.281 4.759 1.00 73.32 H new ATOM 0 HA ILE A 39 7.063 -5.750 2.275 1.00 1.43 H new ATOM 0 HB ILE A 39 6.539 -3.249 3.851 1.00 13.03 H new ATOM 0 HG12 ILE A 39 4.405 -4.351 3.719 1.00 72.52 H new ATOM 0 HG13 ILE A 39 4.397 -2.913 2.717 1.00 72.52 H new ATOM 0 HG21 ILE A 39 6.351 -2.143 1.579 1.00 41.12 H new ATOM 0 HG22 ILE A 39 7.952 -2.864 1.869 1.00 41.12 H new ATOM 0 HG23 ILE A 39 6.773 -3.702 0.831 1.00 41.12 H new ATOM 0 HD11 ILE A 39 3.185 -4.739 1.639 1.00 2.01 H new ATOM 0 HD12 ILE A 39 4.628 -4.308 0.690 1.00 2.01 H new ATOM 0 HD13 ILE A 39 4.635 -5.768 1.707 1.00 2.01 H new ATOM 557 N GLY A 40 8.883 -4.888 4.872 1.00 41.03 N ATOM 558 CA GLY A 40 10.244 -4.578 5.300 1.00 20.24 C ATOM 559 C GLY A 40 10.576 -3.092 5.167 1.00 75.24 C ATOM 560 O GLY A 40 11.706 -2.693 5.434 1.00 15.13 O ATOM 0 H GLY A 40 8.231 -5.068 5.636 1.00 41.03 H new ATOM 0 HA2 GLY A 40 10.373 -4.884 6.338 1.00 20.24 H new ATOM 0 HA3 GLY A 40 10.949 -5.159 4.706 1.00 20.24 H new ATOM 564 N TRP A 41 9.602 -2.245 4.820 1.00 12.14 N ATOM 565 CA TRP A 41 9.744 -0.804 4.606 1.00 71.50 C ATOM 566 C TRP A 41 10.079 -0.002 5.868 1.00 24.42 C ATOM 567 O TRP A 41 9.878 1.211 5.874 1.00 32.25 O ATOM 568 CB TRP A 41 8.456 -0.287 3.937 1.00 31.54 C ATOM 569 CG TRP A 41 7.245 -0.078 4.805 1.00 74.44 C ATOM 570 CD1 TRP A 41 7.085 -0.470 6.088 1.00 35.34 C ATOM 571 CD2 TRP A 41 6.006 0.611 4.461 1.00 20.12 C ATOM 572 NE1 TRP A 41 5.915 0.051 6.591 1.00 51.00 N ATOM 573 CE2 TRP A 41 5.178 0.673 5.618 1.00 1.05 C ATOM 574 CE3 TRP A 41 5.492 1.191 3.290 1.00 0.11 C ATOM 575 CZ2 TRP A 41 3.910 1.268 5.620 1.00 31.13 C ATOM 576 CZ3 TRP A 41 4.213 1.764 3.263 1.00 14.22 C ATOM 577 CH2 TRP A 41 3.418 1.805 4.423 1.00 32.13 C ATOM 0 H TRP A 41 8.644 -2.564 4.674 1.00 12.14 H new ATOM 0 HA TRP A 41 10.608 -0.652 3.959 1.00 71.50 H new ATOM 0 HB2 TRP A 41 8.688 0.662 3.454 1.00 31.54 H new ATOM 0 HB3 TRP A 41 8.185 -0.988 3.148 1.00 31.54 H new ATOM 0 HD1 TRP A 41 7.772 -1.098 6.636 1.00 35.34 H new ATOM 0 HE1 TRP A 41 5.631 -0.017 7.568 1.00 51.00 H new ATOM 0 HE3 TRP A 41 6.094 1.196 2.393 1.00 0.11 H new ATOM 0 HZ2 TRP A 41 3.323 1.312 6.526 1.00 31.13 H new ATOM 0 HZ3 TRP A 41 3.833 2.179 2.341 1.00 14.22 H new ATOM 0 HH2 TRP A 41 2.434 2.248 4.391 1.00 32.13 H new ATOM 587 N GLY A 42 10.512 -0.642 6.955 1.00 52.30 N ATOM 588 CA GLY A 42 10.670 -0.025 8.257 1.00 20.45 C ATOM 589 C GLY A 42 9.415 0.758 8.618 1.00 15.13 C ATOM 590 O GLY A 42 8.332 0.184 8.701 1.00 31.31 O ATOM 0 H GLY A 42 10.767 -1.630 6.946 1.00 52.30 H new ATOM 0 HA2 GLY A 42 10.861 -0.790 9.010 1.00 20.45 H new ATOM 0 HA3 GLY A 42 11.534 0.639 8.251 1.00 20.45 H new ATOM 594 N THR A 43 9.544 2.067 8.818 1.00 0.02 N ATOM 595 CA THR A 43 8.508 2.907 9.428 1.00 73.22 C ATOM 596 C THR A 43 8.988 4.363 9.446 1.00 53.00 C ATOM 597 O THR A 43 9.445 4.911 10.460 1.00 61.11 O ATOM 598 CB THR A 43 8.090 2.345 10.810 1.00 43.20 C ATOM 599 OG1 THR A 43 7.195 3.160 11.549 1.00 23.25 O ATOM 600 CG2 THR A 43 9.311 2.017 11.668 1.00 64.41 C ATOM 0 H THR A 43 10.383 2.585 8.558 1.00 0.02 H new ATOM 0 HA THR A 43 7.595 2.890 8.834 1.00 73.22 H new ATOM 0 HB THR A 43 7.539 1.436 10.570 1.00 43.20 H new ATOM 0 HG1 THR A 43 6.987 2.726 12.403 1.00 23.25 H new ATOM 0 HG21 THR A 43 8.984 1.625 12.631 1.00 64.41 H new ATOM 0 HG22 THR A 43 9.922 1.271 11.161 1.00 64.41 H new ATOM 0 HG23 THR A 43 9.899 2.921 11.825 1.00 64.41 H new ATOM 608 N GLY A 44 8.853 5.010 8.297 1.00 33.14 N ATOM 609 CA GLY A 44 9.143 6.408 8.139 1.00 71.43 C ATOM 610 C GLY A 44 9.407 6.712 6.686 1.00 1.30 C ATOM 611 O GLY A 44 8.494 6.695 5.862 1.00 12.13 O ATOM 0 H GLY A 44 8.532 4.560 7.440 1.00 33.14 H new ATOM 0 HA2 GLY A 44 8.306 7.006 8.499 1.00 71.43 H new ATOM 0 HA3 GLY A 44 10.010 6.679 8.741 1.00 71.43 H new ATOM 615 N ALA A 45 10.670 7.013 6.411 1.00 73.21 N ATOM 616 CA ALA A 45 11.167 7.414 5.097 1.00 40.02 C ATOM 617 C ALA A 45 12.328 6.512 4.734 1.00 64.52 C ATOM 618 O ALA A 45 12.310 5.855 3.700 1.00 2.41 O ATOM 619 CB ALA A 45 11.610 8.887 5.108 1.00 3.30 C ATOM 0 H ALA A 45 11.403 6.984 7.120 1.00 73.21 H new ATOM 0 HA ALA A 45 10.373 7.317 4.356 1.00 40.02 H new ATOM 0 HB1 ALA A 45 11.976 9.164 4.120 1.00 3.30 H new ATOM 0 HB2 ALA A 45 10.763 9.520 5.371 1.00 3.30 H new ATOM 0 HB3 ALA A 45 12.405 9.022 5.841 1.00 3.30 H new ATOM 625 N GLU A 46 13.323 6.471 5.616 1.00 43.14 N ATOM 626 CA GLU A 46 14.540 5.701 5.447 1.00 32.42 C ATOM 627 C GLU A 46 14.207 4.220 5.235 1.00 0.42 C ATOM 628 O GLU A 46 14.752 3.593 4.329 1.00 60.55 O ATOM 629 CB GLU A 46 15.424 5.969 6.678 1.00 1.34 C ATOM 630 CG GLU A 46 16.495 7.032 6.395 1.00 41.11 C ATOM 631 CD GLU A 46 17.760 6.406 5.802 1.00 0.10 C ATOM 632 OE1 GLU A 46 17.691 5.824 4.694 1.00 41.45 O ATOM 633 OE2 GLU A 46 18.804 6.415 6.491 1.00 13.21 O ATOM 0 H GLU A 46 13.298 6.991 6.493 1.00 43.14 H new ATOM 0 HA GLU A 46 15.092 6.000 4.556 1.00 32.42 H new ATOM 0 HB2 GLU A 46 14.799 6.296 7.509 1.00 1.34 H new ATOM 0 HB3 GLU A 46 15.906 5.042 6.987 1.00 1.34 H new ATOM 0 HG2 GLU A 46 16.098 7.776 5.705 1.00 41.11 H new ATOM 0 HG3 GLU A 46 16.744 7.554 7.319 1.00 41.11 H new ATOM 638 N GLY A 47 13.250 3.672 5.989 1.00 61.32 N ATOM 639 CA GLY A 47 12.855 2.280 5.828 1.00 22.55 C ATOM 640 C GLY A 47 12.378 1.996 4.402 1.00 75.14 C ATOM 641 O GLY A 47 12.824 1.056 3.741 1.00 54.40 O ATOM 0 H GLY A 47 12.738 4.174 6.714 1.00 61.32 H new ATOM 0 HA2 GLY A 47 13.698 1.631 6.067 1.00 22.55 H new ATOM 0 HA3 GLY A 47 12.059 2.042 6.534 1.00 22.55 H new ATOM 645 N ALA A 48 11.461 2.835 3.917 1.00 3.12 N ATOM 646 CA ALA A 48 10.857 2.710 2.606 1.00 0.31 C ATOM 647 C ALA A 48 11.825 3.130 1.496 1.00 54.11 C ATOM 648 O ALA A 48 11.542 2.895 0.325 1.00 51.21 O ATOM 649 CB ALA A 48 9.573 3.548 2.553 1.00 61.21 C ATOM 0 H ALA A 48 11.115 3.637 4.444 1.00 3.12 H new ATOM 0 HA ALA A 48 10.612 1.661 2.438 1.00 0.31 H new ATOM 0 HB1 ALA A 48 9.118 3.455 1.567 1.00 61.21 H new ATOM 0 HB2 ALA A 48 8.875 3.192 3.310 1.00 61.21 H new ATOM 0 HB3 ALA A 48 9.813 4.594 2.744 1.00 61.21 H new ATOM 655 N ARG A 49 12.956 3.758 1.811 1.00 4.04 N ATOM 656 CA ARG A 49 13.990 4.028 0.823 1.00 63.23 C ATOM 657 C ARG A 49 14.826 2.761 0.675 1.00 72.31 C ATOM 658 O ARG A 49 15.051 2.289 -0.438 1.00 33.21 O ATOM 659 CB ARG A 49 14.802 5.225 1.334 1.00 22.54 C ATOM 660 CG ARG A 49 16.035 5.566 0.485 1.00 21.30 C ATOM 661 CD ARG A 49 17.114 6.188 1.379 1.00 1.11 C ATOM 662 NE ARG A 49 18.441 6.013 0.782 1.00 14.04 N ATOM 663 CZ ARG A 49 19.592 5.801 1.426 1.00 1.10 C ATOM 664 NH1 ARG A 49 19.679 5.802 2.756 1.00 74.35 N ATOM 665 NH2 ARG A 49 20.666 5.564 0.691 1.00 4.30 N ATOM 0 H ARG A 49 13.177 4.090 2.750 1.00 4.04 H new ATOM 0 HA ARG A 49 13.595 4.282 -0.161 1.00 63.23 H new ATOM 0 HB2 ARG A 49 14.151 6.099 1.375 1.00 22.54 H new ATOM 0 HB3 ARG A 49 15.125 5.020 2.355 1.00 22.54 H new ATOM 0 HG2 ARG A 49 16.420 4.666 0.005 1.00 21.30 H new ATOM 0 HG3 ARG A 49 15.762 6.260 -0.310 1.00 21.30 H new ATOM 0 HD2 ARG A 49 16.910 7.249 1.520 1.00 1.11 H new ATOM 0 HD3 ARG A 49 17.089 5.724 2.365 1.00 1.11 H new ATOM 0 HE ARG A 49 18.491 6.058 -0.236 1.00 14.04 H new ATOM 0 HH11 ARG A 49 18.847 5.969 3.321 1.00 74.35 H new ATOM 0 HH12 ARG A 49 20.578 5.636 3.208 1.00 74.35 H new ATOM 0 HH21 ARG A 49 20.594 5.549 -0.326 1.00 4.30 H new ATOM 0 HH22 ARG A 49 21.566 5.397 1.142 1.00 4.30 H new ATOM 676 N GLN A 50 15.264 2.189 1.796 1.00 71.53 N ATOM 677 CA GLN A 50 16.268 1.148 1.837 1.00 71.55 C ATOM 678 C GLN A 50 15.759 -0.135 1.215 1.00 73.12 C ATOM 679 O GLN A 50 16.588 -0.910 0.750 1.00 42.41 O ATOM 680 CB GLN A 50 16.669 0.883 3.292 1.00 20.23 C ATOM 681 CG GLN A 50 17.550 2.005 3.848 1.00 21.43 C ATOM 682 CD GLN A 50 17.424 2.106 5.363 1.00 24.44 C ATOM 683 OE1 GLN A 50 17.462 1.120 6.102 1.00 74.11 O ATOM 684 NE2 GLN A 50 17.304 3.307 5.873 1.00 40.23 N ATOM 0 H GLN A 50 14.916 2.449 2.719 1.00 71.53 H new ATOM 0 HA GLN A 50 17.131 1.486 1.264 1.00 71.55 H new ATOM 0 HB2 GLN A 50 15.773 0.786 3.905 1.00 20.23 H new ATOM 0 HB3 GLN A 50 17.203 -0.065 3.356 1.00 20.23 H new ATOM 0 HG2 GLN A 50 18.590 1.821 3.579 1.00 21.43 H new ATOM 0 HG3 GLN A 50 17.265 2.954 3.393 1.00 21.43 H new ATOM 0 HE21 GLN A 50 17.273 4.121 5.259 1.00 40.23 H new ATOM 0 HE22 GLN A 50 17.242 3.428 6.884 1.00 40.23 H new ATOM 691 N ARG A 51 14.441 -0.370 1.166 1.00 61.23 N ATOM 692 CA ARG A 51 13.906 -1.556 0.501 1.00 15.45 C ATOM 693 C ARG A 51 13.342 -1.274 -0.889 1.00 3.34 C ATOM 694 O ARG A 51 13.045 -2.231 -1.590 1.00 31.23 O ATOM 695 CB ARG A 51 12.929 -2.325 1.421 1.00 55.12 C ATOM 696 CG ARG A 51 13.563 -2.799 2.738 1.00 22.53 C ATOM 697 CD ARG A 51 14.805 -3.684 2.586 1.00 4.11 C ATOM 698 NE ARG A 51 14.493 -4.997 2.005 1.00 31.34 N ATOM 699 CZ ARG A 51 15.359 -6.011 1.901 1.00 60.51 C ATOM 700 NH1 ARG A 51 16.635 -5.833 2.231 1.00 54.30 N ATOM 701 NH2 ARG A 51 14.930 -7.201 1.502 1.00 13.13 N ATOM 0 H ARG A 51 13.735 0.241 1.576 1.00 61.23 H new ATOM 0 HA ARG A 51 14.750 -2.220 0.316 1.00 15.45 H new ATOM 0 HB2 ARG A 51 12.077 -1.684 1.648 1.00 55.12 H new ATOM 0 HB3 ARG A 51 12.542 -3.190 0.883 1.00 55.12 H new ATOM 0 HG2 ARG A 51 13.831 -1.923 3.329 1.00 22.53 H new ATOM 0 HG3 ARG A 51 12.813 -3.349 3.306 1.00 22.53 H new ATOM 0 HD2 ARG A 51 15.534 -3.175 1.956 1.00 4.11 H new ATOM 0 HD3 ARG A 51 15.269 -3.823 3.562 1.00 4.11 H new ATOM 0 HE ARG A 51 13.546 -5.146 1.655 1.00 31.34 H new ATOM 0 HH11 ARG A 51 16.954 -4.923 2.564 1.00 54.30 H new ATOM 0 HH12 ARG A 51 17.295 -6.607 2.152 1.00 54.30 H new ATOM 0 HH21 ARG A 51 13.945 -7.339 1.277 1.00 13.13 H new ATOM 0 HH22 ARG A 51 15.585 -7.978 1.421 1.00 13.13 H new ATOM 712 N LEU A 52 13.232 -0.009 -1.307 1.00 13.32 N ATOM 713 CA LEU A 52 12.710 0.407 -2.610 1.00 74.14 C ATOM 714 C LEU A 52 13.781 0.291 -3.692 1.00 64.20 C ATOM 715 O LEU A 52 13.574 -0.371 -4.704 1.00 11.25 O ATOM 716 CB LEU A 52 12.284 1.883 -2.515 1.00 53.42 C ATOM 717 CG LEU A 52 12.138 2.657 -3.849 1.00 15.22 C ATOM 718 CD1 LEU A 52 11.014 2.129 -4.729 1.00 20.43 C ATOM 719 CD2 LEU A 52 11.901 4.141 -3.564 1.00 40.04 C ATOM 0 H LEU A 52 13.514 0.780 -0.726 1.00 13.32 H new ATOM 0 HA LEU A 52 11.870 -0.237 -2.871 1.00 74.14 H new ATOM 0 HB2 LEU A 52 11.329 1.928 -1.991 1.00 53.42 H new ATOM 0 HB3 LEU A 52 13.012 2.407 -1.896 1.00 53.42 H new ATOM 0 HG LEU A 52 13.070 2.513 -4.396 1.00 15.22 H new ATOM 0 HD11 LEU A 52 10.965 2.714 -5.647 1.00 20.43 H new ATOM 0 HD12 LEU A 52 11.204 1.084 -4.974 1.00 20.43 H new ATOM 0 HD13 LEU A 52 10.066 2.210 -4.197 1.00 20.43 H new ATOM 0 HD21 LEU A 52 11.799 4.681 -4.506 1.00 40.04 H new ATOM 0 HD22 LEU A 52 10.989 4.258 -2.978 1.00 40.04 H new ATOM 0 HD23 LEU A 52 12.746 4.544 -3.005 1.00 40.04 H new ATOM 730 N GLU A 53 14.889 1.026 -3.536 1.00 0.35 N ATOM 731 CA GLU A 53 15.728 1.443 -4.675 1.00 23.21 C ATOM 732 C GLU A 53 16.577 0.293 -5.229 1.00 54.32 C ATOM 733 O GLU A 53 17.319 0.454 -6.194 1.00 1.34 O ATOM 734 CB GLU A 53 16.570 2.680 -4.293 1.00 41.22 C ATOM 735 CG GLU A 53 15.668 3.838 -3.818 1.00 15.41 C ATOM 736 CD GLU A 53 16.313 5.230 -3.807 1.00 31.22 C ATOM 737 OE1 GLU A 53 17.541 5.367 -3.615 1.00 61.12 O ATOM 738 OE2 GLU A 53 15.568 6.230 -3.957 1.00 52.15 O ATOM 0 H GLU A 53 15.229 1.347 -2.630 1.00 0.35 H new ATOM 0 HA GLU A 53 15.069 1.731 -5.494 1.00 23.21 H new ATOM 0 HB2 GLU A 53 17.274 2.416 -3.504 1.00 41.22 H new ATOM 0 HB3 GLU A 53 17.160 3.002 -5.151 1.00 41.22 H new ATOM 0 HG2 GLU A 53 14.787 3.872 -4.459 1.00 15.41 H new ATOM 0 HG3 GLU A 53 15.321 3.612 -2.810 1.00 15.41 H new ATOM 743 N ASN A 54 16.425 -0.872 -4.613 1.00 1.02 N ATOM 744 CA ASN A 54 17.193 -2.091 -4.764 1.00 24.55 C ATOM 745 C ASN A 54 16.270 -3.314 -4.612 1.00 61.11 C ATOM 746 O ASN A 54 16.731 -4.426 -4.335 1.00 23.14 O ATOM 747 CB ASN A 54 18.315 -2.080 -3.709 1.00 32.13 C ATOM 748 CG ASN A 54 17.857 -1.512 -2.367 1.00 72.31 C ATOM 749 OD1 ASN A 54 18.406 -0.524 -1.890 1.00 14.41 O ATOM 750 ND2 ASN A 54 16.774 -1.994 -1.781 1.00 3.04 N ATOM 0 H ASN A 54 15.682 -0.994 -3.925 1.00 1.02 H new ATOM 0 HA ASN A 54 17.641 -2.152 -5.756 1.00 24.55 H new ATOM 0 HB2 ASN A 54 18.681 -3.096 -3.563 1.00 32.13 H new ATOM 0 HB3 ASN A 54 19.153 -1.490 -4.082 1.00 32.13 H new ATOM 0 HD21 ASN A 54 16.405 -1.545 -0.943 1.00 3.04 H new ATOM 0 HD22 ASN A 54 16.308 -2.815 -2.167 1.00 3.04 H new ATOM 756 N ILE A 55 14.951 -3.108 -4.709 1.00 63.24 N ATOM 757 CA ILE A 55 13.947 -4.135 -4.463 1.00 64.30 C ATOM 758 C ILE A 55 14.101 -5.286 -5.446 1.00 74.51 C ATOM 759 O ILE A 55 14.496 -5.064 -6.593 1.00 72.34 O ATOM 760 CB ILE A 55 12.550 -3.497 -4.498 1.00 72.42 C ATOM 761 CG1 ILE A 55 11.552 -4.326 -3.679 1.00 44.31 C ATOM 762 CG2 ILE A 55 12.029 -3.233 -5.919 1.00 34.23 C ATOM 763 CD1 ILE A 55 10.373 -3.445 -3.255 1.00 13.12 C ATOM 0 H ILE A 55 14.551 -2.206 -4.965 1.00 63.24 H new ATOM 0 HA ILE A 55 14.088 -4.565 -3.472 1.00 64.30 H new ATOM 0 HB ILE A 55 12.651 -2.515 -4.036 1.00 72.42 H new ATOM 0 HG12 ILE A 55 11.194 -5.169 -4.270 1.00 44.31 H new ATOM 0 HG13 ILE A 55 12.044 -4.740 -2.799 1.00 44.31 H new ATOM 0 HG21 ILE A 55 11.038 -2.782 -5.865 1.00 34.23 H new ATOM 0 HG22 ILE A 55 12.709 -2.555 -6.436 1.00 34.23 H new ATOM 0 HG23 ILE A 55 11.970 -4.174 -6.466 1.00 34.23 H new ATOM 0 HD11 ILE A 55 9.667 -4.038 -2.674 1.00 13.12 H new ATOM 0 HD12 ILE A 55 10.738 -2.617 -2.648 1.00 13.12 H new ATOM 0 HD13 ILE A 55 9.874 -3.053 -4.141 1.00 13.12 H new ATOM 774 N GLN A 56 13.768 -6.499 -5.011 1.00 34.52 N ATOM 775 CA GLN A 56 14.025 -7.694 -5.795 1.00 15.33 C ATOM 776 C GLN A 56 12.675 -8.301 -6.188 1.00 64.51 C ATOM 777 O GLN A 56 11.702 -8.165 -5.439 1.00 21.52 O ATOM 778 CB GLN A 56 14.800 -8.689 -4.916 1.00 64.31 C ATOM 779 CG GLN A 56 16.256 -8.269 -4.670 1.00 51.24 C ATOM 780 CD GLN A 56 17.013 -7.982 -5.959 1.00 41.41 C ATOM 781 OE1 GLN A 56 17.362 -8.903 -6.694 1.00 41.31 O ATOM 782 NE2 GLN A 56 17.257 -6.727 -6.283 1.00 21.53 N ATOM 0 H GLN A 56 13.317 -6.676 -4.113 1.00 34.52 H new ATOM 0 HA GLN A 56 14.605 -7.463 -6.689 1.00 15.33 H new ATOM 0 HB2 GLN A 56 14.291 -8.791 -3.958 1.00 64.31 H new ATOM 0 HB3 GLN A 56 14.786 -9.670 -5.390 1.00 64.31 H new ATOM 0 HG2 GLN A 56 16.271 -7.380 -4.039 1.00 51.24 H new ATOM 0 HG3 GLN A 56 16.769 -9.058 -4.121 1.00 51.24 H new ATOM 0 HE21 GLN A 56 16.961 -5.973 -5.663 1.00 21.53 H new ATOM 0 HE22 GLN A 56 17.742 -6.510 -7.154 1.00 21.53 H new ATOM 789 N PRO A 57 12.628 -9.108 -7.259 1.00 75.33 N ATOM 790 CA PRO A 57 11.436 -9.847 -7.652 1.00 35.35 C ATOM 791 C PRO A 57 11.004 -10.847 -6.569 1.00 55.34 C ATOM 792 O PRO A 57 9.848 -11.257 -6.532 1.00 40.34 O ATOM 793 CB PRO A 57 11.818 -10.539 -8.964 1.00 34.53 C ATOM 794 CG PRO A 57 13.329 -10.732 -8.849 1.00 12.41 C ATOM 795 CD PRO A 57 13.756 -9.474 -8.097 1.00 13.01 C ATOM 0 HA PRO A 57 10.573 -9.194 -7.782 1.00 35.35 H new ATOM 0 HB2 PRO A 57 11.301 -11.492 -9.079 1.00 34.53 H new ATOM 0 HB3 PRO A 57 11.558 -9.929 -9.829 1.00 34.53 H new ATOM 0 HG2 PRO A 57 13.583 -11.640 -8.302 1.00 12.41 H new ATOM 0 HG3 PRO A 57 13.806 -10.804 -9.826 1.00 12.41 H new ATOM 0 HD2 PRO A 57 14.645 -9.662 -7.495 1.00 13.01 H new ATOM 0 HD3 PRO A 57 14.005 -8.670 -8.790 1.00 13.01 H new ATOM 800 N ALA A 58 11.894 -11.227 -5.649 1.00 21.23 N ATOM 801 CA ALA A 58 11.531 -12.117 -4.559 1.00 53.12 C ATOM 802 C ALA A 58 10.899 -11.383 -3.376 1.00 20.53 C ATOM 803 O ALA A 58 10.265 -12.032 -2.542 1.00 54.44 O ATOM 804 CB ALA A 58 12.776 -12.862 -4.103 1.00 14.35 C ATOM 0 H ALA A 58 12.869 -10.929 -5.643 1.00 21.23 H new ATOM 0 HA ALA A 58 10.777 -12.811 -4.931 1.00 53.12 H new ATOM 0 HB1 ALA A 58 12.518 -13.534 -3.285 1.00 14.35 H new ATOM 0 HB2 ALA A 58 13.179 -13.440 -4.934 1.00 14.35 H new ATOM 0 HB3 ALA A 58 13.524 -12.146 -3.763 1.00 14.35 H new ATOM 810 N ASP A 59 11.075 -10.062 -3.275 1.00 54.01 N ATOM 811 CA ASP A 59 10.571 -9.271 -2.153 1.00 51.02 C ATOM 812 C ASP A 59 9.102 -8.905 -2.391 1.00 62.44 C ATOM 813 O ASP A 59 8.345 -8.683 -1.451 1.00 41.44 O ATOM 814 CB ASP A 59 11.445 -8.020 -1.978 1.00 60.54 C ATOM 815 CG ASP A 59 11.588 -7.587 -0.515 1.00 35.13 C ATOM 816 OD1 ASP A 59 10.703 -6.889 0.018 1.00 3.02 O ATOM 817 OD2 ASP A 59 12.645 -7.861 0.099 1.00 74.32 O ATOM 0 H ASP A 59 11.574 -9.511 -3.973 1.00 54.01 H new ATOM 0 HA ASP A 59 10.622 -9.854 -1.233 1.00 51.02 H new ATOM 0 HB2 ASP A 59 12.435 -8.215 -2.392 1.00 60.54 H new ATOM 0 HB3 ASP A 59 11.015 -7.200 -2.553 1.00 60.54 H new ATOM 821 N VAL A 60 8.653 -8.889 -3.653 1.00 0.31 N ATOM 822 CA VAL A 60 7.225 -8.842 -3.978 1.00 60.14 C ATOM 823 C VAL A 60 6.653 -10.233 -3.692 1.00 63.54 C ATOM 824 O VAL A 60 5.716 -10.393 -2.905 1.00 35.31 O ATOM 825 CB VAL A 60 6.992 -8.308 -5.414 1.00 52.44 C ATOM 826 CG1 VAL A 60 7.887 -8.930 -6.487 1.00 11.43 C ATOM 827 CG2 VAL A 60 5.537 -8.415 -5.870 1.00 44.41 C ATOM 0 H VAL A 60 9.264 -8.908 -4.469 1.00 0.31 H new ATOM 0 HA VAL A 60 6.685 -8.127 -3.357 1.00 60.14 H new ATOM 0 HB VAL A 60 7.269 -7.258 -5.320 1.00 52.44 H new ATOM 0 HG11 VAL A 60 7.650 -8.493 -7.457 1.00 11.43 H new ATOM 0 HG12 VAL A 60 8.932 -8.735 -6.247 1.00 11.43 H new ATOM 0 HG13 VAL A 60 7.718 -10.006 -6.523 1.00 11.43 H new ATOM 0 HG21 VAL A 60 5.444 -8.024 -6.883 1.00 44.41 H new ATOM 0 HG22 VAL A 60 5.227 -9.460 -5.854 1.00 44.41 H new ATOM 0 HG23 VAL A 60 4.902 -7.838 -5.198 1.00 44.41 H new ATOM 837 N SER A 61 7.295 -11.258 -4.249 1.00 61.54 N ATOM 838 CA SER A 61 6.990 -12.674 -4.122 1.00 40.42 C ATOM 839 C SER A 61 7.336 -13.258 -2.743 1.00 72.21 C ATOM 840 O SER A 61 7.715 -14.415 -2.617 1.00 44.22 O ATOM 841 CB SER A 61 7.640 -13.375 -5.317 1.00 3.32 C ATOM 842 OG SER A 61 7.079 -12.792 -6.487 1.00 24.25 O ATOM 0 H SER A 61 8.106 -11.103 -4.848 1.00 61.54 H new ATOM 0 HA SER A 61 5.914 -12.844 -4.158 1.00 40.42 H new ATOM 0 HB2 SER A 61 8.722 -13.245 -5.300 1.00 3.32 H new ATOM 0 HB3 SER A 61 7.447 -14.447 -5.288 1.00 3.32 H new ATOM 0 HG SER A 61 7.715 -12.153 -6.871 1.00 24.25 H new ATOM 847 N MET A 62 7.127 -12.489 -1.676 1.00 35.31 N ATOM 848 CA MET A 62 7.011 -12.963 -0.304 1.00 14.13 C ATOM 849 C MET A 62 5.743 -12.401 0.348 1.00 72.54 C ATOM 850 O MET A 62 5.101 -13.078 1.150 1.00 1.03 O ATOM 851 CB MET A 62 8.289 -12.641 0.476 1.00 53.02 C ATOM 852 CG MET A 62 8.440 -11.157 0.827 1.00 44.31 C ATOM 853 SD MET A 62 10.084 -10.659 1.398 1.00 51.03 S ATOM 854 CE MET A 62 10.338 -11.937 2.644 1.00 55.14 C ATOM 0 H MET A 62 7.030 -11.476 -1.750 1.00 35.31 H new ATOM 0 HA MET A 62 6.907 -14.048 -0.295 1.00 14.13 H new ATOM 0 HB2 MET A 62 8.299 -13.226 1.396 1.00 53.02 H new ATOM 0 HB3 MET A 62 9.152 -12.956 -0.111 1.00 53.02 H new ATOM 0 HG2 MET A 62 8.184 -10.565 -0.052 1.00 44.31 H new ATOM 0 HG3 MET A 62 7.714 -10.908 1.601 1.00 44.31 H new ATOM 0 HE1 MET A 62 11.056 -11.585 3.385 1.00 55.14 H new ATOM 0 HE2 MET A 62 9.391 -12.160 3.135 1.00 55.14 H new ATOM 0 HE3 MET A 62 10.721 -12.839 2.167 1.00 55.14 H new ATOM 862 N ILE A 63 5.329 -11.194 -0.038 1.00 33.45 N ATOM 863 CA ILE A 63 4.171 -10.499 0.503 1.00 31.55 C ATOM 864 C ILE A 63 2.906 -11.242 0.092 1.00 51.14 C ATOM 865 O ILE A 63 2.045 -11.492 0.928 1.00 3.31 O ATOM 866 CB ILE A 63 4.142 -9.034 0.029 1.00 20.21 C ATOM 867 CG1 ILE A 63 5.427 -8.259 0.394 1.00 2.11 C ATOM 868 CG2 ILE A 63 2.903 -8.364 0.655 1.00 4.11 C ATOM 869 CD1 ILE A 63 5.605 -7.014 -0.485 1.00 31.41 C ATOM 0 H ILE A 63 5.810 -10.659 -0.761 1.00 33.45 H new ATOM 0 HA ILE A 63 4.232 -10.483 1.591 1.00 31.55 H new ATOM 0 HB ILE A 63 4.088 -9.017 -1.060 1.00 20.21 H new ATOM 0 HG12 ILE A 63 5.388 -7.962 1.442 1.00 2.11 H new ATOM 0 HG13 ILE A 63 6.292 -8.913 0.279 1.00 2.11 H new ATOM 0 HG21 ILE A 63 2.853 -7.322 0.338 1.00 4.11 H new ATOM 0 HG22 ILE A 63 2.003 -8.886 0.329 1.00 4.11 H new ATOM 0 HG23 ILE A 63 2.975 -8.409 1.742 1.00 4.11 H new ATOM 0 HD11 ILE A 63 6.520 -6.494 -0.199 1.00 31.41 H new ATOM 0 HD12 ILE A 63 5.670 -7.313 -1.531 1.00 31.41 H new ATOM 0 HD13 ILE A 63 4.752 -6.348 -0.350 1.00 31.41 H new ATOM 880 N LYS A 64 2.824 -11.677 -1.168 1.00 54.04 N ATOM 881 CA LYS A 64 1.672 -12.411 -1.694 1.00 34.11 C ATOM 882 C LYS A 64 1.309 -13.585 -0.793 1.00 42.13 C ATOM 883 O LYS A 64 0.130 -13.829 -0.532 1.00 75.24 O ATOM 884 CB LYS A 64 1.973 -12.890 -3.121 1.00 64.31 C ATOM 885 CG LYS A 64 2.048 -11.716 -4.115 1.00 54.23 C ATOM 886 CD LYS A 64 3.209 -11.816 -5.107 1.00 22.51 C ATOM 887 CE LYS A 64 3.085 -13.031 -6.039 1.00 75.43 C ATOM 888 NZ LYS A 64 4.336 -13.352 -6.759 1.00 1.25 N ATOM 0 H LYS A 64 3.562 -11.528 -1.857 1.00 54.04 H new ATOM 0 HA LYS A 64 0.813 -11.741 -1.718 1.00 34.11 H new ATOM 0 HB2 LYS A 64 2.917 -13.435 -3.130 1.00 64.31 H new ATOM 0 HB3 LYS A 64 1.199 -13.588 -3.441 1.00 64.31 H new ATOM 0 HG2 LYS A 64 1.112 -11.663 -4.671 1.00 54.23 H new ATOM 0 HG3 LYS A 64 2.140 -10.785 -3.556 1.00 54.23 H new ATOM 0 HD2 LYS A 64 3.250 -10.906 -5.706 1.00 22.51 H new ATOM 0 HD3 LYS A 64 4.148 -11.879 -4.557 1.00 22.51 H new ATOM 0 HE2 LYS A 64 2.779 -13.898 -5.454 1.00 75.43 H new ATOM 0 HE3 LYS A 64 2.295 -12.842 -6.766 1.00 75.43 H new ATOM 0 HZ1 LYS A 64 4.461 -14.384 -6.794 1.00 1.25 H new ATOM 0 HZ2 LYS A 64 4.285 -12.976 -7.727 1.00 1.25 H new ATOM 0 HZ3 LYS A 64 5.142 -12.922 -6.263 1.00 1.25 H new ATOM 898 N LYS A 65 2.323 -14.274 -0.260 1.00 75.14 N ATOM 899 CA LYS A 65 2.139 -15.457 0.567 1.00 34.35 C ATOM 900 C LYS A 65 1.554 -15.131 1.934 1.00 35.25 C ATOM 901 O LYS A 65 1.066 -16.044 2.604 1.00 75.43 O ATOM 902 CB LYS A 65 3.485 -16.178 0.731 1.00 23.11 C ATOM 903 CG LYS A 65 3.927 -16.837 -0.590 1.00 72.44 C ATOM 904 CD LYS A 65 5.083 -16.096 -1.275 1.00 54.10 C ATOM 905 CE LYS A 65 6.450 -16.707 -0.962 1.00 34.34 C ATOM 906 NZ LYS A 65 6.806 -16.724 0.473 1.00 12.11 N ATOM 0 H LYS A 65 3.301 -14.019 -0.395 1.00 75.14 H new ATOM 0 HA LYS A 65 1.422 -16.103 0.061 1.00 34.35 H new ATOM 0 HB2 LYS A 65 4.244 -15.467 1.058 1.00 23.11 H new ATOM 0 HB3 LYS A 65 3.402 -16.937 1.509 1.00 23.11 H new ATOM 0 HG2 LYS A 65 4.229 -17.866 -0.393 1.00 72.44 H new ATOM 0 HG3 LYS A 65 3.076 -16.879 -1.270 1.00 72.44 H new ATOM 0 HD2 LYS A 65 4.925 -16.105 -2.353 1.00 54.10 H new ATOM 0 HD3 LYS A 65 5.076 -15.052 -0.960 1.00 54.10 H new ATOM 0 HE2 LYS A 65 6.471 -17.729 -1.339 1.00 34.34 H new ATOM 0 HE3 LYS A 65 7.214 -16.151 -1.505 1.00 34.34 H new ATOM 0 HZ1 LYS A 65 7.827 -16.894 0.575 1.00 12.11 H new ATOM 0 HZ2 LYS A 65 6.563 -15.808 0.902 1.00 12.11 H new ATOM 0 HZ3 LYS A 65 6.279 -17.482 0.952 1.00 12.11 H new ATOM 916 N GLN A 66 1.600 -13.875 2.373 1.00 1.44 N ATOM 917 CA GLN A 66 1.014 -13.458 3.641 1.00 14.31 C ATOM 918 C GLN A 66 -0.488 -13.175 3.521 1.00 24.15 C ATOM 919 O GLN A 66 -1.133 -12.958 4.549 1.00 55.04 O ATOM 920 CB GLN A 66 1.812 -12.261 4.201 1.00 34.24 C ATOM 921 CG GLN A 66 2.901 -12.751 5.174 1.00 21.14 C ATOM 922 CD GLN A 66 4.279 -12.104 5.056 1.00 33.55 C ATOM 923 OE1 GLN A 66 4.956 -11.926 6.060 1.00 34.45 O ATOM 924 NE2 GLN A 66 4.808 -11.828 3.879 1.00 34.51 N ATOM 0 H GLN A 66 2.046 -13.117 1.857 1.00 1.44 H new ATOM 0 HA GLN A 66 1.088 -14.279 4.354 1.00 14.31 H new ATOM 0 HB2 GLN A 66 2.270 -11.706 3.382 1.00 34.24 H new ATOM 0 HB3 GLN A 66 1.139 -11.575 4.714 1.00 34.24 H new ATOM 0 HG2 GLN A 66 2.541 -12.597 6.191 1.00 21.14 H new ATOM 0 HG3 GLN A 66 3.019 -13.826 5.037 1.00 21.14 H new ATOM 0 HE21 GLN A 66 4.262 -11.969 3.029 1.00 34.51 H new ATOM 0 HE22 GLN A 66 5.763 -11.474 3.819 1.00 34.51 H new ATOM 931 N GLY A 67 -1.070 -13.223 2.320 1.00 64.22 N ATOM 932 CA GLY A 67 -2.487 -12.962 2.108 1.00 61.14 C ATOM 933 C GLY A 67 -2.671 -11.573 1.553 1.00 33.12 C ATOM 934 O GLY A 67 -3.324 -10.756 2.194 1.00 23.15 O ATOM 0 H GLY A 67 -0.563 -13.446 1.464 1.00 64.22 H new ATOM 0 HA2 GLY A 67 -2.903 -13.697 1.419 1.00 61.14 H new ATOM 0 HA3 GLY A 67 -3.030 -13.063 3.048 1.00 61.14 H new ATOM 938 N THR A 68 -2.053 -11.276 0.419 1.00 35.54 N ATOM 939 CA THR A 68 -2.103 -9.978 -0.211 1.00 75.44 C ATOM 940 C THR A 68 -2.342 -10.207 -1.703 1.00 64.11 C ATOM 941 O THR A 68 -1.785 -11.143 -2.289 1.00 2.21 O ATOM 942 CB THR A 68 -0.767 -9.277 0.064 1.00 41.02 C ATOM 943 OG1 THR A 68 -0.502 -9.294 1.453 1.00 40.34 O ATOM 944 CG2 THR A 68 -0.744 -7.834 -0.439 1.00 12.22 C ATOM 0 H THR A 68 -1.490 -11.953 -0.096 1.00 35.54 H new ATOM 0 HA THR A 68 -2.903 -9.346 0.174 1.00 75.44 H new ATOM 0 HB THR A 68 0.002 -9.824 -0.481 1.00 41.02 H new ATOM 0 HG1 THR A 68 0.407 -9.626 1.609 1.00 40.34 H new ATOM 0 HG21 THR A 68 0.225 -7.387 -0.218 1.00 12.22 H new ATOM 0 HG22 THR A 68 -0.912 -7.821 -1.516 1.00 12.22 H new ATOM 0 HG23 THR A 68 -1.529 -7.263 0.057 1.00 12.22 H new ATOM 952 N THR A 69 -3.144 -9.344 -2.315 1.00 61.20 N ATOM 953 CA THR A 69 -3.399 -9.305 -3.743 1.00 40.34 C ATOM 954 C THR A 69 -2.859 -8.002 -4.312 1.00 24.22 C ATOM 955 O THR A 69 -2.483 -7.085 -3.573 1.00 53.04 O ATOM 956 CB THR A 69 -4.903 -9.455 -4.016 1.00 1.42 C ATOM 957 OG1 THR A 69 -5.674 -8.697 -3.100 1.00 44.11 O ATOM 958 CG2 THR A 69 -5.326 -10.912 -3.888 1.00 22.44 C ATOM 0 H THR A 69 -3.654 -8.623 -1.805 1.00 61.20 H new ATOM 0 HA THR A 69 -2.890 -10.135 -4.233 1.00 40.34 H new ATOM 0 HB THR A 69 -5.078 -9.093 -5.029 1.00 1.42 H new ATOM 0 HG1 THR A 69 -6.626 -8.812 -3.301 1.00 44.11 H new ATOM 0 HG21 THR A 69 -6.395 -10.999 -4.085 1.00 22.44 H new ATOM 0 HG22 THR A 69 -4.774 -11.516 -4.608 1.00 22.44 H new ATOM 0 HG23 THR A 69 -5.113 -11.265 -2.879 1.00 22.44 H new ATOM 966 N LEU A 70 -2.841 -7.933 -5.640 1.00 13.34 N ATOM 967 CA LEU A 70 -2.338 -6.798 -6.385 1.00 33.12 C ATOM 968 C LEU A 70 -3.050 -5.536 -5.987 1.00 12.41 C ATOM 969 O LEU A 70 -2.441 -4.506 -5.709 1.00 32.15 O ATOM 970 CB LEU A 70 -2.664 -7.028 -7.861 1.00 0.12 C ATOM 971 CG LEU A 70 -1.895 -6.163 -8.859 1.00 34.11 C ATOM 972 CD1 LEU A 70 -2.783 -5.308 -9.726 1.00 15.25 C ATOM 973 CD2 LEU A 70 -0.637 -5.419 -8.384 1.00 44.23 C ATOM 0 H LEU A 70 -3.185 -8.686 -6.236 1.00 13.34 H new ATOM 0 HA LEU A 70 -1.270 -6.700 -6.193 1.00 33.12 H new ATOM 0 HB2 LEU A 70 -2.474 -8.075 -8.096 1.00 0.12 H new ATOM 0 HB3 LEU A 70 -3.730 -6.857 -8.008 1.00 0.12 H new ATOM 0 HG LEU A 70 -1.455 -6.943 -9.480 1.00 34.11 H new ATOM 0 HD11 LEU A 70 -2.169 -4.722 -10.409 1.00 15.25 H new ATOM 0 HD12 LEU A 70 -3.455 -5.946 -10.299 1.00 15.25 H new ATOM 0 HD13 LEU A 70 -3.368 -4.637 -9.097 1.00 15.25 H new ATOM 0 HD21 LEU A 70 -0.214 -4.853 -9.214 1.00 44.23 H new ATOM 0 HD22 LEU A 70 -0.901 -4.736 -7.577 1.00 44.23 H new ATOM 0 HD23 LEU A 70 0.097 -6.139 -8.024 1.00 44.23 H new ATOM 984 N GLU A 71 -4.372 -5.659 -5.971 1.00 41.03 N ATOM 985 CA GLU A 71 -5.258 -4.527 -5.939 1.00 0.15 C ATOM 986 C GLU A 71 -5.186 -3.801 -4.576 1.00 55.04 C ATOM 987 O GLU A 71 -5.740 -2.716 -4.384 1.00 33.24 O ATOM 988 CB GLU A 71 -6.677 -5.051 -6.184 1.00 75.14 C ATOM 989 CG GLU A 71 -6.979 -5.417 -7.640 1.00 75.23 C ATOM 990 CD GLU A 71 -8.037 -4.480 -8.222 1.00 73.22 C ATOM 991 OE1 GLU A 71 -9.235 -4.667 -7.897 1.00 1.03 O ATOM 992 OE2 GLU A 71 -7.678 -3.573 -9.009 1.00 3.31 O ATOM 0 H GLU A 71 -4.852 -6.559 -5.980 1.00 41.03 H new ATOM 0 HA GLU A 71 -4.970 -3.806 -6.704 1.00 0.15 H new ATOM 0 HB2 GLU A 71 -6.838 -5.931 -5.561 1.00 75.14 H new ATOM 0 HB3 GLU A 71 -7.391 -4.295 -5.858 1.00 75.14 H new ATOM 0 HG2 GLU A 71 -6.066 -5.356 -8.233 1.00 75.23 H new ATOM 0 HG3 GLU A 71 -7.328 -6.448 -7.697 1.00 75.23 H new ATOM 997 N MET A 72 -4.547 -4.441 -3.596 1.00 63.44 N ATOM 998 CA MET A 72 -4.223 -3.918 -2.286 1.00 54.42 C ATOM 999 C MET A 72 -3.143 -2.844 -2.428 1.00 12.05 C ATOM 1000 O MET A 72 -3.212 -1.782 -1.813 1.00 35.24 O ATOM 1001 CB MET A 72 -3.746 -5.097 -1.420 1.00 75.22 C ATOM 1002 CG MET A 72 -4.309 -5.049 -0.007 1.00 43.21 C ATOM 1003 SD MET A 72 -4.045 -6.603 0.876 1.00 31.35 S ATOM 1004 CE MET A 72 -5.395 -7.593 0.193 1.00 40.43 C ATOM 0 H MET A 72 -4.225 -5.402 -3.713 1.00 63.44 H new ATOM 0 HA MET A 72 -5.087 -3.454 -1.811 1.00 54.42 H new ATOM 0 HB2 MET A 72 -4.041 -6.034 -1.893 1.00 75.22 H new ATOM 0 HB3 MET A 72 -2.657 -5.092 -1.374 1.00 75.22 H new ATOM 0 HG2 MET A 72 -3.839 -4.234 0.544 1.00 43.21 H new ATOM 0 HG3 MET A 72 -5.376 -4.832 -0.049 1.00 43.21 H new ATOM 0 HE1 MET A 72 -5.051 -8.615 0.032 1.00 40.43 H new ATOM 0 HE2 MET A 72 -6.232 -7.597 0.891 1.00 40.43 H new ATOM 0 HE3 MET A 72 -5.716 -7.164 -0.756 1.00 40.43 H new ATOM 1012 N ILE A 73 -2.114 -3.151 -3.213 1.00 61.24 N ATOM 1013 CA ILE A 73 -0.880 -2.394 -3.338 1.00 13.33 C ATOM 1014 C ILE A 73 -1.128 -1.112 -4.122 1.00 15.15 C ATOM 1015 O ILE A 73 -0.632 -0.052 -3.739 1.00 64.14 O ATOM 1016 CB ILE A 73 0.176 -3.319 -3.989 1.00 42.44 C ATOM 1017 CG1 ILE A 73 0.345 -4.644 -3.202 1.00 1.21 C ATOM 1018 CG2 ILE A 73 1.537 -2.638 -4.152 1.00 60.34 C ATOM 1019 CD1 ILE A 73 0.614 -4.462 -1.700 1.00 41.41 C ATOM 0 H ILE A 73 -2.123 -3.979 -3.809 1.00 61.24 H new ATOM 0 HA ILE A 73 -0.503 -2.077 -2.366 1.00 13.33 H new ATOM 0 HB ILE A 73 -0.206 -3.547 -4.984 1.00 42.44 H new ATOM 0 HG12 ILE A 73 -0.557 -5.244 -3.327 1.00 1.21 H new ATOM 0 HG13 ILE A 73 1.167 -5.210 -3.640 1.00 1.21 H new ATOM 0 HG21 ILE A 73 2.239 -3.333 -4.613 1.00 60.34 H new ATOM 0 HG22 ILE A 73 1.430 -1.757 -4.785 1.00 60.34 H new ATOM 0 HG23 ILE A 73 1.913 -2.338 -3.174 1.00 60.34 H new ATOM 0 HD11 ILE A 73 0.719 -5.439 -1.228 1.00 41.41 H new ATOM 0 HD12 ILE A 73 1.532 -3.892 -1.561 1.00 41.41 H new ATOM 0 HD13 ILE A 73 -0.218 -3.926 -1.244 1.00 41.41 H new ATOM 1030 N THR A 74 -1.928 -1.198 -5.175 1.00 4.12 N ATOM 1031 CA THR A 74 -2.253 -0.086 -6.051 1.00 51.01 C ATOM 1032 C THR A 74 -3.052 0.995 -5.321 1.00 40.01 C ATOM 1033 O THR A 74 -2.816 2.182 -5.529 1.00 40.31 O ATOM 1034 CB THR A 74 -2.994 -0.664 -7.261 1.00 71.34 C ATOM 1035 OG1 THR A 74 -4.019 -1.519 -6.810 1.00 41.33 O ATOM 1036 CG2 THR A 74 -2.036 -1.491 -8.125 1.00 33.52 C ATOM 0 H THR A 74 -2.381 -2.070 -5.450 1.00 4.12 H new ATOM 0 HA THR A 74 -1.347 0.419 -6.387 1.00 51.01 H new ATOM 0 HB THR A 74 -3.402 0.160 -7.846 1.00 71.34 H new ATOM 0 HG1 THR A 74 -4.596 -1.764 -7.563 1.00 41.33 H new ATOM 0 HG21 THR A 74 -2.576 -1.896 -8.981 1.00 33.52 H new ATOM 0 HG22 THR A 74 -1.222 -0.856 -8.476 1.00 33.52 H new ATOM 0 HG23 THR A 74 -1.628 -2.310 -7.533 1.00 33.52 H new ATOM 1044 N ALA A 75 -3.930 0.615 -4.391 1.00 0.31 N ATOM 1045 CA ALA A 75 -4.610 1.603 -3.562 1.00 53.24 C ATOM 1046 C ALA A 75 -3.641 2.291 -2.596 1.00 4.14 C ATOM 1047 O ALA A 75 -3.827 3.456 -2.243 1.00 0.44 O ATOM 1048 CB ALA A 75 -5.719 0.917 -2.774 1.00 72.10 C ATOM 0 H ALA A 75 -4.182 -0.354 -4.197 1.00 0.31 H new ATOM 0 HA ALA A 75 -5.029 2.368 -4.215 1.00 53.24 H new ATOM 0 HB1 ALA A 75 -6.231 1.651 -2.152 1.00 72.10 H new ATOM 0 HB2 ALA A 75 -6.432 0.467 -3.465 1.00 72.10 H new ATOM 0 HB3 ALA A 75 -5.289 0.142 -2.140 1.00 72.10 H new ATOM 1054 N TRP A 76 -2.634 1.556 -2.117 1.00 43.40 N ATOM 1055 CA TRP A 76 -1.687 2.086 -1.157 1.00 33.54 C ATOM 1056 C TRP A 76 -0.659 3.001 -1.812 1.00 4.24 C ATOM 1057 O TRP A 76 -0.284 3.984 -1.170 1.00 74.23 O ATOM 1058 CB TRP A 76 -1.034 0.956 -0.351 1.00 60.50 C ATOM 1059 CG TRP A 76 -1.820 0.549 0.861 1.00 55.21 C ATOM 1060 CD1 TRP A 76 -2.415 -0.644 1.074 1.00 64.21 C ATOM 1061 CD2 TRP A 76 -2.150 1.368 2.020 1.00 40.23 C ATOM 1062 NE1 TRP A 76 -3.095 -0.623 2.278 1.00 0.45 N ATOM 1063 CE2 TRP A 76 -2.961 0.599 2.907 1.00 62.13 C ATOM 1064 CE3 TRP A 76 -1.877 2.705 2.383 1.00 72.43 C ATOM 1065 CZ2 TRP A 76 -3.463 1.128 4.104 1.00 32.44 C ATOM 1066 CZ3 TRP A 76 -2.378 3.246 3.579 1.00 35.53 C ATOM 1067 CH2 TRP A 76 -3.168 2.461 4.435 1.00 1.43 C ATOM 0 H TRP A 76 -2.461 0.587 -2.386 1.00 43.40 H new ATOM 0 HA TRP A 76 -2.241 2.709 -0.454 1.00 33.54 H new ATOM 0 HB2 TRP A 76 -0.904 0.088 -0.998 1.00 60.50 H new ATOM 0 HB3 TRP A 76 -0.039 1.272 -0.039 1.00 60.50 H new ATOM 0 HD1 TRP A 76 -2.367 -1.489 0.404 1.00 64.21 H new ATOM 0 HE1 TRP A 76 -3.627 -1.409 2.653 1.00 0.45 H new ATOM 0 HE3 TRP A 76 -1.274 3.321 1.732 1.00 72.43 H new ATOM 0 HZ2 TRP A 76 -4.067 0.520 4.761 1.00 32.44 H new ATOM 0 HZ3 TRP A 76 -2.155 4.270 3.841 1.00 35.53 H new ATOM 0 HH2 TRP A 76 -3.550 2.884 5.352 1.00 1.43 H new ATOM 1077 N GLN A 77 -0.190 2.738 -3.041 1.00 21.42 N ATOM 1078 CA GLN A 77 0.820 3.584 -3.641 1.00 21.41 C ATOM 1079 C GLN A 77 0.192 4.958 -3.870 1.00 12.33 C ATOM 1080 O GLN A 77 0.734 5.969 -3.424 1.00 55.21 O ATOM 1081 CB GLN A 77 1.347 2.965 -4.944 1.00 0.03 C ATOM 1082 CG GLN A 77 0.415 2.863 -6.143 1.00 74.52 C ATOM 1083 CD GLN A 77 0.990 2.058 -7.303 1.00 32.43 C ATOM 1084 OE1 GLN A 77 0.851 0.842 -7.395 1.00 33.31 O ATOM 1085 NE2 GLN A 77 1.661 2.700 -8.237 1.00 22.42 N ATOM 0 H GLN A 77 -0.496 1.957 -3.621 1.00 21.42 H new ATOM 0 HA GLN A 77 1.683 3.683 -2.983 1.00 21.41 H new ATOM 0 HB2 GLN A 77 2.219 3.542 -5.253 1.00 0.03 H new ATOM 0 HB3 GLN A 77 1.696 1.959 -4.712 1.00 0.03 H new ATOM 0 HG2 GLN A 77 -0.522 2.406 -5.825 1.00 74.52 H new ATOM 0 HG3 GLN A 77 0.177 3.868 -6.493 1.00 74.52 H new ATOM 0 HE21 GLN A 77 1.784 3.711 -8.173 1.00 22.42 H new ATOM 0 HE22 GLN A 77 2.057 2.187 -9.024 1.00 22.42 H new ATOM 1092 N ASP A 78 -0.992 4.968 -4.492 1.00 3.24 N ATOM 1093 CA ASP A 78 -1.701 6.173 -4.897 1.00 55.10 C ATOM 1094 C ASP A 78 -2.050 7.012 -3.667 1.00 52.30 C ATOM 1095 O ASP A 78 -1.981 8.241 -3.702 1.00 55.42 O ATOM 1096 CB ASP A 78 -2.969 5.798 -5.684 1.00 53.41 C ATOM 1097 CG ASP A 78 -3.129 6.696 -6.915 1.00 64.40 C ATOM 1098 OD1 ASP A 78 -3.688 7.806 -6.795 1.00 23.24 O ATOM 1099 OD2 ASP A 78 -2.706 6.288 -8.024 1.00 74.12 O ATOM 0 H ASP A 78 -1.492 4.112 -4.731 1.00 3.24 H new ATOM 0 HA ASP A 78 -1.058 6.768 -5.546 1.00 55.10 H new ATOM 0 HB2 ASP A 78 -2.915 4.754 -5.994 1.00 53.41 H new ATOM 0 HB3 ASP A 78 -3.844 5.895 -5.041 1.00 53.41 H new ATOM 1103 N PHE A 79 -2.345 6.361 -2.535 1.00 53.01 N ATOM 1104 CA PHE A 79 -2.651 7.075 -1.294 1.00 2.02 C ATOM 1105 C PHE A 79 -1.469 7.949 -0.856 1.00 15.11 C ATOM 1106 O PHE A 79 -1.665 9.082 -0.399 1.00 4.01 O ATOM 1107 CB PHE A 79 -3.037 6.093 -0.180 1.00 55.02 C ATOM 1108 CG PHE A 79 -3.206 6.760 1.176 1.00 55.03 C ATOM 1109 CD1 PHE A 79 -4.276 7.649 1.410 1.00 2.15 C ATOM 1110 CD2 PHE A 79 -2.247 6.548 2.183 1.00 23.45 C ATOM 1111 CE1 PHE A 79 -4.379 8.325 2.641 1.00 44.43 C ATOM 1112 CE2 PHE A 79 -2.357 7.212 3.417 1.00 51.11 C ATOM 1113 CZ PHE A 79 -3.414 8.112 3.640 1.00 75.14 C ATOM 0 H PHE A 79 -2.378 5.345 -2.455 1.00 53.01 H new ATOM 0 HA PHE A 79 -3.503 7.728 -1.486 1.00 2.02 H new ATOM 0 HB2 PHE A 79 -3.968 5.594 -0.451 1.00 55.02 H new ATOM 0 HB3 PHE A 79 -2.272 5.320 -0.105 1.00 55.02 H new ATOM 0 HD1 PHE A 79 -5.018 7.812 0.643 1.00 2.15 H new ATOM 0 HD2 PHE A 79 -1.423 5.872 2.007 1.00 23.45 H new ATOM 0 HE1 PHE A 79 -5.198 9.006 2.817 1.00 44.43 H new ATOM 0 HE2 PHE A 79 -1.629 7.031 4.194 1.00 51.11 H new ATOM 0 HZ PHE A 79 -3.484 8.640 4.580 1.00 75.14 H new ATOM 1122 N TYR A 80 -0.243 7.436 -0.987 1.00 15.02 N ATOM 1123 CA TYR A 80 0.951 8.184 -0.632 1.00 73.21 C ATOM 1124 C TYR A 80 1.381 9.135 -1.749 1.00 53.33 C ATOM 1125 O TYR A 80 2.046 10.125 -1.461 1.00 15.13 O ATOM 1126 CB TYR A 80 2.078 7.231 -0.227 1.00 22.13 C ATOM 1127 CG TYR A 80 1.817 6.514 1.083 1.00 2.12 C ATOM 1128 CD1 TYR A 80 1.729 7.240 2.286 1.00 63.10 C ATOM 1129 CD2 TYR A 80 1.610 5.126 1.093 1.00 14.34 C ATOM 1130 CE1 TYR A 80 1.360 6.595 3.479 1.00 41.00 C ATOM 1131 CE2 TYR A 80 1.241 4.472 2.277 1.00 61.32 C ATOM 1132 CZ TYR A 80 1.089 5.208 3.469 1.00 34.41 C ATOM 1133 OH TYR A 80 0.727 4.580 4.619 1.00 31.52 O ATOM 0 H TYR A 80 -0.058 6.497 -1.340 1.00 15.02 H new ATOM 0 HA TYR A 80 0.714 8.809 0.229 1.00 73.21 H new ATOM 0 HB2 TYR A 80 2.220 6.492 -1.015 1.00 22.13 H new ATOM 0 HB3 TYR A 80 3.008 7.793 -0.146 1.00 22.13 H new ATOM 0 HD1 TYR A 80 1.946 8.298 2.292 1.00 63.10 H new ATOM 0 HD2 TYR A 80 1.736 4.558 0.183 1.00 14.34 H new ATOM 0 HE1 TYR A 80 1.284 7.156 4.399 1.00 41.00 H new ATOM 0 HE2 TYR A 80 1.073 3.405 2.275 1.00 61.32 H new ATOM 0 HH TYR A 80 -0.143 4.146 4.495 1.00 31.52 H new ATOM 1142 N GLU A 81 1.016 8.894 -3.007 1.00 64.12 N ATOM 1143 CA GLU A 81 1.289 9.805 -4.123 1.00 41.21 C ATOM 1144 C GLU A 81 0.475 11.084 -3.963 1.00 43.01 C ATOM 1145 O GLU A 81 1.021 12.170 -4.165 1.00 23.11 O ATOM 1146 CB GLU A 81 1.048 9.080 -5.461 1.00 64.40 C ATOM 1147 CG GLU A 81 2.148 8.018 -5.653 1.00 31.34 C ATOM 1148 CD GLU A 81 1.958 7.007 -6.781 1.00 75.34 C ATOM 1149 OE1 GLU A 81 0.972 7.102 -7.544 1.00 24.31 O ATOM 1150 OE2 GLU A 81 2.833 6.119 -6.913 1.00 35.15 O ATOM 0 H GLU A 81 0.516 8.050 -3.286 1.00 64.12 H new ATOM 0 HA GLU A 81 2.336 10.107 -4.120 1.00 41.21 H new ATOM 0 HB2 GLU A 81 0.064 8.610 -5.464 1.00 64.40 H new ATOM 0 HB3 GLU A 81 1.063 9.793 -6.285 1.00 64.40 H new ATOM 0 HG2 GLU A 81 3.092 8.537 -5.821 1.00 31.34 H new ATOM 0 HG3 GLU A 81 2.250 7.466 -4.719 1.00 31.34 H new ATOM 1155 N GLN A 82 -0.757 10.973 -3.463 1.00 62.11 N ATOM 1156 CA GLN A 82 -1.591 12.101 -3.073 1.00 40.31 C ATOM 1157 C GLN A 82 -0.938 12.993 -2.000 1.00 24.21 C ATOM 1158 O GLN A 82 -1.309 14.162 -1.897 1.00 34.31 O ATOM 1159 CB GLN A 82 -2.944 11.565 -2.565 1.00 31.54 C ATOM 1160 CG GLN A 82 -4.129 11.770 -3.516 1.00 54.33 C ATOM 1161 CD GLN A 82 -3.928 11.236 -4.931 1.00 62.40 C ATOM 1162 OE1 GLN A 82 -4.048 11.978 -5.896 1.00 73.11 O ATOM 1163 NE2 GLN A 82 -3.644 9.958 -5.076 1.00 64.11 N ATOM 0 H GLN A 82 -1.210 10.071 -3.316 1.00 62.11 H new ATOM 0 HA GLN A 82 -1.729 12.731 -3.952 1.00 40.31 H new ATOM 0 HB2 GLN A 82 -2.841 10.499 -2.364 1.00 31.54 H new ATOM 0 HB3 GLN A 82 -3.174 12.048 -1.615 1.00 31.54 H new ATOM 0 HG2 GLN A 82 -5.007 11.289 -3.085 1.00 54.33 H new ATOM 0 HG3 GLN A 82 -4.346 12.836 -3.575 1.00 54.33 H new ATOM 0 HE21 GLN A 82 -3.549 9.360 -4.255 1.00 64.11 H new ATOM 0 HE22 GLN A 82 -3.519 9.566 -6.009 1.00 64.11 H new ATOM 1170 N GLU A 83 0.005 12.491 -1.196 1.00 21.21 N ATOM 1171 CA GLU A 83 0.640 13.285 -0.142 1.00 14.25 C ATOM 1172 C GLU A 83 1.613 14.288 -0.750 1.00 72.22 C ATOM 1173 O GLU A 83 1.774 15.400 -0.243 1.00 72.35 O ATOM 1174 CB GLU A 83 1.442 12.393 0.812 1.00 51.42 C ATOM 1175 CG GLU A 83 0.637 11.288 1.482 1.00 33.55 C ATOM 1176 CD GLU A 83 -0.174 11.866 2.633 1.00 55.21 C ATOM 1177 OE1 GLU A 83 -1.210 12.522 2.406 1.00 63.42 O ATOM 1178 OE2 GLU A 83 0.219 11.684 3.808 1.00 54.23 O ATOM 0 H GLU A 83 0.346 11.532 -1.257 1.00 21.21 H new ATOM 0 HA GLU A 83 -0.156 13.795 0.401 1.00 14.25 H new ATOM 0 HB2 GLU A 83 2.264 11.940 0.258 1.00 51.42 H new ATOM 0 HB3 GLU A 83 1.886 13.020 1.585 1.00 51.42 H new ATOM 0 HG2 GLU A 83 -0.028 10.819 0.757 1.00 33.55 H new ATOM 0 HG3 GLU A 83 1.306 10.511 1.851 1.00 33.55 H new ATOM 1183 N GLN A 84 2.261 13.894 -1.846 1.00 53.05 N ATOM 1184 CA GLN A 84 3.222 14.754 -2.499 1.00 32.32 C ATOM 1185 C GLN A 84 2.498 15.949 -3.106 1.00 11.41 C ATOM 1186 O GLN A 84 3.024 17.056 -3.039 1.00 33.41 O ATOM 1187 CB GLN A 84 3.999 13.978 -3.569 1.00 54.15 C ATOM 1188 CG GLN A 84 5.211 13.237 -2.995 1.00 40.23 C ATOM 1189 CD GLN A 84 4.767 12.028 -2.196 1.00 42.22 C ATOM 1190 OE1 GLN A 84 4.766 12.010 -0.973 1.00 74.52 O ATOM 1191 NE2 GLN A 84 4.322 10.988 -2.865 1.00 52.23 N ATOM 0 H GLN A 84 2.132 12.986 -2.292 1.00 53.05 H new ATOM 0 HA GLN A 84 3.943 15.114 -1.765 1.00 32.32 H new ATOM 0 HB2 GLN A 84 3.333 13.261 -4.048 1.00 54.15 H new ATOM 0 HB3 GLN A 84 4.333 14.669 -4.343 1.00 54.15 H new ATOM 0 HG2 GLN A 84 5.869 12.923 -3.805 1.00 40.23 H new ATOM 0 HG3 GLN A 84 5.787 13.909 -2.359 1.00 40.23 H new ATOM 0 HE21 GLN A 84 4.321 11.000 -3.885 1.00 52.23 H new ATOM 0 HE22 GLN A 84 3.977 10.169 -2.364 1.00 52.23 H new ATOM 1198 N GLN A 85 1.288 15.764 -3.652 1.00 0.04 N ATOM 1199 CA GLN A 85 0.633 16.870 -4.336 1.00 1.23 C ATOM 1200 C GLN A 85 0.399 18.041 -3.377 1.00 23.42 C ATOM 1201 O GLN A 85 0.550 19.191 -3.780 1.00 12.42 O ATOM 1202 CB GLN A 85 -0.629 16.426 -5.099 1.00 3.32 C ATOM 1203 CG GLN A 85 -1.956 16.600 -4.355 1.00 15.20 C ATOM 1204 CD GLN A 85 -3.121 16.199 -5.246 1.00 74.12 C ATOM 1205 OE1 GLN A 85 -3.543 16.946 -6.131 1.00 62.44 O ATOM 1206 NE2 GLN A 85 -3.647 15.011 -5.022 1.00 40.23 N ATOM 0 H GLN A 85 0.764 14.889 -3.632 1.00 0.04 H new ATOM 0 HA GLN A 85 1.307 17.236 -5.111 1.00 1.23 H new ATOM 0 HB2 GLN A 85 -0.682 16.986 -6.032 1.00 3.32 H new ATOM 0 HB3 GLN A 85 -0.519 15.375 -5.364 1.00 3.32 H new ATOM 0 HG2 GLN A 85 -1.956 15.991 -3.451 1.00 15.20 H new ATOM 0 HG3 GLN A 85 -2.071 17.637 -4.041 1.00 15.20 H new ATOM 0 HE21 GLN A 85 -3.272 14.419 -4.281 1.00 40.23 H new ATOM 0 HE22 GLN A 85 -4.429 14.684 -5.590 1.00 40.23 H new ATOM 1213 N ARG A 86 0.057 17.750 -2.112 1.00 41.34 N ATOM 1214 CA ARG A 86 -0.072 18.787 -1.094 1.00 62.23 C ATOM 1215 C ARG A 86 1.295 19.313 -0.663 1.00 44.35 C ATOM 1216 O ARG A 86 1.491 20.531 -0.680 1.00 15.04 O ATOM 1217 CB ARG A 86 -0.956 18.352 0.093 1.00 0.42 C ATOM 1218 CG ARG A 86 -0.528 17.071 0.824 1.00 43.25 C ATOM 1219 CD ARG A 86 -1.502 16.755 1.967 1.00 2.22 C ATOM 1220 NE ARG A 86 -1.085 15.601 2.798 1.00 55.04 N ATOM 1221 CZ ARG A 86 -0.816 15.627 4.115 1.00 60.52 C ATOM 1222 NH1 ARG A 86 -0.835 16.752 4.826 1.00 32.32 N ATOM 1223 NH2 ARG A 86 -0.514 14.494 4.745 1.00 15.02 N ATOM 0 H ARG A 86 -0.133 16.806 -1.777 1.00 41.34 H new ATOM 0 HA ARG A 86 -0.602 19.623 -1.551 1.00 62.23 H new ATOM 0 HB2 ARG A 86 -0.983 19.167 0.817 1.00 0.42 H new ATOM 0 HB3 ARG A 86 -1.974 18.215 -0.271 1.00 0.42 H new ATOM 0 HG2 ARG A 86 -0.498 16.237 0.122 1.00 43.25 H new ATOM 0 HG3 ARG A 86 0.480 17.191 1.220 1.00 43.25 H new ATOM 0 HD2 ARG A 86 -1.600 17.634 2.604 1.00 2.22 H new ATOM 0 HD3 ARG A 86 -2.488 16.553 1.548 1.00 2.22 H new ATOM 0 HE ARG A 86 -0.993 14.701 2.326 1.00 55.04 H new ATOM 0 HH11 ARG A 86 -1.060 17.638 4.373 1.00 32.32 H new ATOM 0 HH12 ARG A 86 -0.625 16.728 5.824 1.00 32.32 H new ATOM 0 HH21 ARG A 86 -0.488 13.615 4.229 1.00 15.02 H new ATOM 0 HH22 ARG A 86 -0.309 14.505 5.744 1.00 15.02 H new ATOM 1234 N ASN A 87 2.221 18.454 -0.224 1.00 42.02 N ATOM 1235 CA ASN A 87 3.489 18.888 0.335 1.00 55.12 C ATOM 1236 C ASN A 87 4.619 17.917 0.012 1.00 55.41 C ATOM 1237 O ASN A 87 5.166 17.285 0.907 1.00 51.32 O ATOM 1238 CB ASN A 87 3.366 19.218 1.839 1.00 71.33 C ATOM 1239 CG ASN A 87 2.760 18.179 2.788 1.00 53.43 C ATOM 1240 OD1 ASN A 87 1.954 18.538 3.641 1.00 22.23 O ATOM 1241 ND2 ASN A 87 3.151 16.922 2.730 1.00 74.41 N ATOM 0 H ASN A 87 2.105 17.441 -0.250 1.00 42.02 H new ATOM 0 HA ASN A 87 3.763 19.823 -0.153 1.00 55.12 H new ATOM 0 HB2 ASN A 87 4.365 19.453 2.206 1.00 71.33 H new ATOM 0 HB3 ASN A 87 2.772 20.128 1.927 1.00 71.33 H new ATOM 0 HD21 ASN A 87 2.784 16.242 3.396 1.00 74.41 H new ATOM 0 HD22 ASN A 87 3.821 16.629 2.019 1.00 74.41 H new ATOM 1247 N GLU A 88 5.029 17.886 -1.255 1.00 20.41 N ATOM 1248 CA GLU A 88 6.099 17.092 -1.880 1.00 31.10 C ATOM 1249 C GLU A 88 7.471 17.130 -1.184 1.00 51.11 C ATOM 1250 O GLU A 88 8.406 16.436 -1.584 1.00 34.11 O ATOM 1251 CB GLU A 88 6.239 17.526 -3.350 1.00 31.53 C ATOM 1252 CG GLU A 88 6.330 19.049 -3.522 1.00 54.02 C ATOM 1253 CD GLU A 88 6.980 19.445 -4.846 1.00 54.25 C ATOM 1254 OE1 GLU A 88 6.632 18.918 -5.927 1.00 72.11 O ATOM 1255 OE2 GLU A 88 7.937 20.254 -4.801 1.00 54.25 O ATOM 0 H GLU A 88 4.573 18.479 -1.948 1.00 20.41 H new ATOM 0 HA GLU A 88 5.785 16.053 -1.784 1.00 31.10 H new ATOM 0 HB2 GLU A 88 7.130 17.064 -3.776 1.00 31.53 H new ATOM 0 HB3 GLU A 88 5.385 17.153 -3.916 1.00 31.53 H new ATOM 0 HG2 GLU A 88 5.330 19.479 -3.468 1.00 54.02 H new ATOM 0 HG3 GLU A 88 6.904 19.472 -2.697 1.00 54.02 H new ATOM 1260 N ASN A 89 7.633 17.921 -0.128 1.00 41.33 N ATOM 1261 CA ASN A 89 8.822 17.991 0.719 1.00 53.04 C ATOM 1262 C ASN A 89 8.877 16.812 1.708 1.00 1.03 C ATOM 1263 O ASN A 89 9.619 16.873 2.690 1.00 63.13 O ATOM 1264 CB ASN A 89 8.826 19.336 1.468 1.00 63.32 C ATOM 1265 CG ASN A 89 8.691 20.575 0.589 1.00 32.14 C ATOM 1266 OD1 ASN A 89 8.304 21.628 1.084 1.00 2.34 O ATOM 1267 ND2 ASN A 89 9.007 20.532 -0.692 1.00 22.10 N ATOM 0 H ASN A 89 6.902 18.564 0.177 1.00 41.33 H new ATOM 0 HA ASN A 89 9.710 17.922 0.090 1.00 53.04 H new ATOM 0 HB2 ASN A 89 8.009 19.333 2.190 1.00 63.32 H new ATOM 0 HB3 ASN A 89 9.753 19.413 2.036 1.00 63.32 H new ATOM 0 HD21 ASN A 89 8.929 21.372 -1.265 1.00 22.10 H new ATOM 0 HD22 ASN A 89 9.329 19.659 -1.109 1.00 22.10 H new ATOM 1273 N ASN A 90 8.078 15.767 1.486 1.00 55.14 N ATOM 1274 CA ASN A 90 7.688 14.705 2.407 1.00 74.25 C ATOM 1275 C ASN A 90 8.233 13.342 1.950 1.00 34.44 C ATOM 1276 O ASN A 90 7.494 12.469 1.486 1.00 31.32 O ATOM 1277 CB ASN A 90 6.152 14.658 2.498 1.00 74.42 C ATOM 1278 CG ASN A 90 5.486 14.308 1.178 1.00 31.51 C ATOM 1279 OD1 ASN A 90 5.986 14.586 0.092 1.00 14.34 O ATOM 1280 ND2 ASN A 90 4.371 13.631 1.265 1.00 42.03 N ATOM 0 H ASN A 90 7.649 15.633 0.570 1.00 55.14 H new ATOM 0 HA ASN A 90 8.112 14.918 3.388 1.00 74.25 H new ATOM 0 HB2 ASN A 90 5.861 13.925 3.250 1.00 74.42 H new ATOM 0 HB3 ASN A 90 5.785 15.626 2.838 1.00 74.42 H new ATOM 0 HD21 ASN A 90 3.895 13.321 0.418 1.00 42.03 H new ATOM 0 HD22 ASN A 90 3.977 13.413 2.180 1.00 42.03 H new ATOM 1286 N PRO A 91 9.527 13.071 2.159 1.00 62.42 N ATOM 1287 CA PRO A 91 10.165 11.850 1.679 1.00 61.22 C ATOM 1288 C PRO A 91 9.504 10.577 2.230 1.00 20.23 C ATOM 1289 O PRO A 91 9.598 9.533 1.601 1.00 54.21 O ATOM 1290 CB PRO A 91 11.634 11.975 2.103 1.00 24.41 C ATOM 1291 CG PRO A 91 11.580 12.929 3.297 1.00 71.45 C ATOM 1292 CD PRO A 91 10.459 13.874 2.923 1.00 0.02 C ATOM 0 HA PRO A 91 10.064 11.749 0.598 1.00 61.22 H new ATOM 0 HB2 PRO A 91 12.056 11.009 2.380 1.00 24.41 H new ATOM 0 HB3 PRO A 91 12.252 12.374 1.298 1.00 24.41 H new ATOM 0 HG2 PRO A 91 11.370 12.401 4.227 1.00 71.45 H new ATOM 0 HG3 PRO A 91 12.524 13.456 3.436 1.00 71.45 H new ATOM 0 HD2 PRO A 91 9.984 14.292 3.810 1.00 0.02 H new ATOM 0 HD3 PRO A 91 10.831 14.713 2.335 1.00 0.02 H new ATOM 1297 N THR A 92 8.793 10.663 3.356 1.00 60.12 N ATOM 1298 CA THR A 92 8.083 9.588 4.031 1.00 73.33 C ATOM 1299 C THR A 92 7.149 8.895 3.037 1.00 63.52 C ATOM 1300 O THR A 92 7.427 7.798 2.546 1.00 54.43 O ATOM 1301 CB THR A 92 7.329 10.230 5.214 1.00 20.41 C ATOM 1302 OG1 THR A 92 8.207 11.059 5.963 1.00 41.02 O ATOM 1303 CG2 THR A 92 6.705 9.204 6.157 1.00 74.44 C ATOM 0 H THR A 92 8.695 11.550 3.850 1.00 60.12 H new ATOM 0 HA THR A 92 8.753 8.817 4.412 1.00 73.33 H new ATOM 0 HB THR A 92 6.520 10.815 4.776 1.00 20.41 H new ATOM 0 HG1 THR A 92 7.718 11.463 6.710 1.00 41.02 H new ATOM 0 HG21 THR A 92 6.190 9.720 6.967 1.00 74.44 H new ATOM 0 HG22 THR A 92 5.992 8.590 5.607 1.00 74.44 H new ATOM 0 HG23 THR A 92 7.487 8.568 6.572 1.00 74.44 H new ATOM 1311 N ALA A 93 6.067 9.589 2.700 1.00 52.22 N ATOM 1312 CA ALA A 93 5.071 9.169 1.749 1.00 41.34 C ATOM 1313 C ALA A 93 5.723 8.906 0.398 1.00 20.22 C ATOM 1314 O ALA A 93 5.467 7.869 -0.205 1.00 61.21 O ATOM 1315 CB ALA A 93 4.062 10.299 1.655 1.00 3.13 C ATOM 0 H ALA A 93 5.861 10.501 3.108 1.00 52.22 H new ATOM 0 HA ALA A 93 4.584 8.244 2.058 1.00 41.34 H new ATOM 0 HB1 ALA A 93 3.281 10.031 0.944 1.00 3.13 H new ATOM 0 HB2 ALA A 93 3.617 10.472 2.635 1.00 3.13 H new ATOM 0 HB3 ALA A 93 4.563 11.207 1.319 1.00 3.13 H new ATOM 1321 N LYS A 94 6.610 9.797 -0.048 1.00 0.44 N ATOM 1322 CA LYS A 94 7.254 9.691 -1.348 1.00 51.23 C ATOM 1323 C LYS A 94 7.944 8.344 -1.535 1.00 72.25 C ATOM 1324 O LYS A 94 7.855 7.761 -2.613 1.00 63.42 O ATOM 1325 CB LYS A 94 8.204 10.882 -1.513 1.00 15.23 C ATOM 1326 CG LYS A 94 8.436 11.227 -2.985 1.00 42.24 C ATOM 1327 CD LYS A 94 9.105 12.597 -3.133 1.00 15.44 C ATOM 1328 CE LYS A 94 10.535 12.570 -2.558 1.00 63.21 C ATOM 1329 NZ LYS A 94 11.357 13.753 -2.897 1.00 20.44 N ATOM 0 H LYS A 94 6.900 10.614 0.489 1.00 0.44 H new ATOM 0 HA LYS A 94 6.504 9.731 -2.138 1.00 51.23 H new ATOM 0 HB2 LYS A 94 7.792 11.749 -0.997 1.00 15.23 H new ATOM 0 HB3 LYS A 94 9.159 10.653 -1.039 1.00 15.23 H new ATOM 0 HG2 LYS A 94 9.061 10.462 -3.447 1.00 42.24 H new ATOM 0 HG3 LYS A 94 7.484 11.225 -3.516 1.00 42.24 H new ATOM 0 HD2 LYS A 94 9.136 12.880 -4.185 1.00 15.44 H new ATOM 0 HD3 LYS A 94 8.514 13.353 -2.616 1.00 15.44 H new ATOM 0 HE2 LYS A 94 10.475 12.484 -1.473 1.00 63.21 H new ATOM 0 HE3 LYS A 94 11.042 11.676 -2.921 1.00 63.21 H new ATOM 0 HZ1 LYS A 94 12.301 13.653 -2.472 1.00 20.44 H new ATOM 0 HZ2 LYS A 94 11.449 13.827 -3.930 1.00 20.44 H new ATOM 0 HZ3 LYS A 94 10.900 14.611 -2.528 1.00 20.44 H new ATOM 1339 N TYR A 95 8.626 7.829 -0.513 1.00 2.11 N ATOM 1340 CA TYR A 95 9.205 6.496 -0.556 1.00 31.35 C ATOM 1341 C TYR A 95 8.126 5.413 -0.477 1.00 64.53 C ATOM 1342 O TYR A 95 8.172 4.492 -1.290 1.00 40.33 O ATOM 1343 CB TYR A 95 10.279 6.356 0.537 1.00 24.54 C ATOM 1344 CG TYR A 95 11.570 7.085 0.199 1.00 35.22 C ATOM 1345 CD1 TYR A 95 12.233 6.795 -1.007 1.00 0.32 C ATOM 1346 CD2 TYR A 95 12.098 8.068 1.054 1.00 54.02 C ATOM 1347 CE1 TYR A 95 13.325 7.569 -1.427 1.00 41.31 C ATOM 1348 CE2 TYR A 95 13.179 8.862 0.638 1.00 64.51 C ATOM 1349 CZ TYR A 95 13.751 8.654 -0.632 1.00 3.31 C ATOM 1350 OH TYR A 95 14.635 9.557 -1.123 1.00 73.41 O ATOM 0 H TYR A 95 8.790 8.325 0.363 1.00 2.11 H new ATOM 0 HA TYR A 95 9.697 6.352 -1.518 1.00 31.35 H new ATOM 0 HB2 TYR A 95 9.885 6.743 1.477 1.00 24.54 H new ATOM 0 HB3 TYR A 95 10.495 5.299 0.693 1.00 24.54 H new ATOM 0 HD1 TYR A 95 11.898 5.968 -1.616 1.00 0.32 H new ATOM 0 HD2 TYR A 95 11.670 8.213 2.035 1.00 54.02 H new ATOM 0 HE1 TYR A 95 13.835 7.337 -2.350 1.00 41.31 H new ATOM 0 HE2 TYR A 95 13.570 9.629 1.290 1.00 64.51 H new ATOM 0 HH TYR A 95 14.818 10.239 -0.443 1.00 73.41 H new ATOM 1359 N ARG A 96 7.151 5.495 0.439 1.00 42.20 N ATOM 1360 CA ARG A 96 6.072 4.497 0.551 1.00 71.11 C ATOM 1361 C ARG A 96 5.339 4.291 -0.780 1.00 32.21 C ATOM 1362 O ARG A 96 5.166 3.151 -1.207 1.00 2.11 O ATOM 1363 CB ARG A 96 5.058 4.905 1.631 1.00 1.05 C ATOM 1364 CG ARG A 96 5.609 4.911 3.063 1.00 60.54 C ATOM 1365 CD ARG A 96 4.474 5.155 4.059 1.00 3.15 C ATOM 1366 NE ARG A 96 4.947 5.218 5.453 1.00 13.01 N ATOM 1367 CZ ARG A 96 4.172 5.462 6.520 1.00 53.32 C ATOM 1368 NH1 ARG A 96 2.853 5.564 6.400 1.00 75.30 N ATOM 1369 NH2 ARG A 96 4.715 5.588 7.725 1.00 0.22 N ATOM 0 H ARG A 96 7.086 6.250 1.121 1.00 42.20 H new ATOM 0 HA ARG A 96 6.545 3.556 0.832 1.00 71.11 H new ATOM 0 HB2 ARG A 96 4.681 5.901 1.398 1.00 1.05 H new ATOM 0 HB3 ARG A 96 4.208 4.224 1.587 1.00 1.05 H new ATOM 0 HG2 ARG A 96 6.095 3.959 3.279 1.00 60.54 H new ATOM 0 HG3 ARG A 96 6.368 5.687 3.166 1.00 60.54 H new ATOM 0 HD2 ARG A 96 3.970 6.088 3.808 1.00 3.15 H new ATOM 0 HD3 ARG A 96 3.736 4.358 3.965 1.00 3.15 H new ATOM 0 HE ARG A 96 5.941 5.064 5.620 1.00 13.01 H new ATOM 0 HH11 ARG A 96 2.414 5.456 5.485 1.00 75.30 H new ATOM 0 HH12 ARG A 96 2.279 5.750 7.222 1.00 75.30 H new ATOM 0 HH21 ARG A 96 5.724 5.499 7.841 1.00 0.22 H new ATOM 0 HH22 ARG A 96 4.123 5.774 8.534 1.00 0.22 H new ATOM 1380 N ALA A 97 4.945 5.388 -1.430 1.00 24.23 N ATOM 1381 CA ALA A 97 4.337 5.457 -2.749 1.00 31.54 C ATOM 1382 C ALA A 97 5.183 4.650 -3.716 1.00 74.43 C ATOM 1383 O ALA A 97 4.761 3.609 -4.220 1.00 61.34 O ATOM 1384 CB ALA A 97 4.303 6.929 -3.185 1.00 23.12 C ATOM 0 H ALA A 97 5.052 6.313 -1.014 1.00 24.23 H new ATOM 0 HA ALA A 97 3.324 5.054 -2.734 1.00 31.54 H new ATOM 0 HB1 ALA A 97 3.850 7.005 -4.174 1.00 23.12 H new ATOM 0 HB2 ALA A 97 3.715 7.506 -2.471 1.00 23.12 H new ATOM 0 HB3 ALA A 97 5.319 7.322 -3.220 1.00 23.12 H new ATOM 1390 N ARG A 98 6.410 5.131 -3.918 1.00 24.23 N ATOM 1391 CA ARG A 98 7.348 4.584 -4.874 1.00 63.12 C ATOM 1392 C ARG A 98 7.558 3.086 -4.673 1.00 12.21 C ATOM 1393 O ARG A 98 7.703 2.352 -5.651 1.00 12.21 O ATOM 1394 CB ARG A 98 8.660 5.380 -4.773 1.00 54.11 C ATOM 1395 CG ARG A 98 8.593 6.692 -5.574 1.00 42.23 C ATOM 1396 CD ARG A 98 9.907 7.471 -5.423 1.00 73.55 C ATOM 1397 NE ARG A 98 10.085 8.497 -6.470 1.00 2.30 N ATOM 1398 CZ ARG A 98 11.130 8.616 -7.306 1.00 35.22 C ATOM 1399 NH1 ARG A 98 12.135 7.748 -7.262 1.00 1.42 N ATOM 1400 NH2 ARG A 98 11.184 9.600 -8.196 1.00 2.14 N ATOM 0 H ARG A 98 6.779 5.931 -3.404 1.00 24.23 H new ATOM 0 HA ARG A 98 6.946 4.685 -5.882 1.00 63.12 H new ATOM 0 HB2 ARG A 98 8.871 5.603 -3.727 1.00 54.11 H new ATOM 0 HB3 ARG A 98 9.485 4.770 -5.142 1.00 54.11 H new ATOM 0 HG2 ARG A 98 8.409 6.476 -6.626 1.00 42.23 H new ATOM 0 HG3 ARG A 98 7.759 7.299 -5.223 1.00 42.23 H new ATOM 0 HD2 ARG A 98 9.931 7.949 -4.444 1.00 73.55 H new ATOM 0 HD3 ARG A 98 10.744 6.774 -5.457 1.00 73.55 H new ATOM 0 HE ARG A 98 9.339 9.185 -6.569 1.00 2.30 H new ATOM 0 HH11 ARG A 98 12.118 6.982 -6.589 1.00 1.42 H new ATOM 0 HH12 ARG A 98 12.923 7.848 -7.901 1.00 1.42 H new ATOM 0 HH21 ARG A 98 10.425 10.279 -8.252 1.00 2.14 H new ATOM 0 HH22 ARG A 98 11.984 9.677 -8.824 1.00 2.14 H new ATOM 1411 N LEU A 99 7.610 2.628 -3.422 1.00 21.33 N ATOM 1412 CA LEU A 99 7.851 1.234 -3.067 1.00 42.44 C ATOM 1413 C LEU A 99 6.661 0.385 -3.487 1.00 2.24 C ATOM 1414 O LEU A 99 6.845 -0.579 -4.221 1.00 4.33 O ATOM 1415 CB LEU A 99 8.152 1.149 -1.566 1.00 44.04 C ATOM 1416 CG LEU A 99 9.050 -0.029 -1.151 1.00 23.25 C ATOM 1417 CD1 LEU A 99 9.448 0.136 0.317 1.00 72.10 C ATOM 1418 CD2 LEU A 99 8.502 -1.420 -1.313 1.00 24.31 C ATOM 0 H LEU A 99 7.482 3.232 -2.610 1.00 21.33 H new ATOM 0 HA LEU A 99 8.718 0.839 -3.597 1.00 42.44 H new ATOM 0 HB2 LEU A 99 8.628 2.078 -1.253 1.00 44.04 H new ATOM 0 HB3 LEU A 99 7.209 1.076 -1.025 1.00 44.04 H new ATOM 0 HG LEU A 99 9.881 0.033 -1.854 1.00 23.25 H new ATOM 0 HD11 LEU A 99 10.085 -0.696 0.617 1.00 72.10 H new ATOM 0 HD12 LEU A 99 9.991 1.073 0.444 1.00 72.10 H new ATOM 0 HD13 LEU A 99 8.552 0.149 0.938 1.00 72.10 H new ATOM 0 HD21 LEU A 99 9.245 -2.145 -0.980 1.00 24.31 H new ATOM 0 HD22 LEU A 99 7.598 -1.527 -0.714 1.00 24.31 H new ATOM 0 HD23 LEU A 99 8.266 -1.598 -2.362 1.00 24.31 H new ATOM 1429 N MET A 100 5.451 0.757 -3.064 1.00 23.34 N ATOM 1430 CA MET A 100 4.223 0.073 -3.476 1.00 44.30 C ATOM 1431 C MET A 100 4.095 0.040 -5.001 1.00 0.01 C ATOM 1432 O MET A 100 3.889 -1.031 -5.564 1.00 72.22 O ATOM 1433 CB MET A 100 2.997 0.685 -2.793 1.00 74.10 C ATOM 1434 CG MET A 100 2.946 0.364 -1.299 1.00 2.43 C ATOM 1435 SD MET A 100 3.314 -1.372 -0.897 1.00 23.23 S ATOM 1436 CE MET A 100 1.970 -1.719 0.214 1.00 52.22 C ATOM 0 H MET A 100 5.295 1.539 -2.428 1.00 23.34 H new ATOM 0 HA MET A 100 4.279 -0.964 -3.146 1.00 44.30 H new ATOM 0 HB2 MET A 100 3.009 1.766 -2.930 1.00 74.10 H new ATOM 0 HB3 MET A 100 2.092 0.313 -3.274 1.00 74.10 H new ATOM 0 HG2 MET A 100 3.656 1.005 -0.777 1.00 2.43 H new ATOM 0 HG3 MET A 100 1.955 0.611 -0.919 1.00 2.43 H new ATOM 0 HE1 MET A 100 2.041 -2.750 0.560 1.00 52.22 H new ATOM 0 HE2 MET A 100 2.021 -1.045 1.069 1.00 52.22 H new ATOM 0 HE3 MET A 100 1.022 -1.575 -0.305 1.00 52.22 H new ATOM 1444 N LYS A 101 4.312 1.168 -5.680 1.00 13.12 N ATOM 1445 CA LYS A 101 4.422 1.227 -7.131 1.00 53.24 C ATOM 1446 C LYS A 101 5.361 0.166 -7.701 1.00 43.40 C ATOM 1447 O LYS A 101 4.980 -0.552 -8.617 1.00 51.02 O ATOM 1448 CB LYS A 101 4.763 2.663 -7.530 1.00 72.10 C ATOM 1449 CG LYS A 101 4.568 2.873 -9.034 1.00 71.30 C ATOM 1450 CD LYS A 101 5.871 2.746 -9.791 1.00 53.30 C ATOM 1451 CE LYS A 101 5.631 3.199 -11.229 1.00 32.44 C ATOM 1452 NZ LYS A 101 6.874 3.246 -12.016 1.00 44.02 N ATOM 0 H LYS A 101 4.417 2.076 -5.227 1.00 13.12 H new ATOM 0 HA LYS A 101 3.465 0.971 -7.586 1.00 53.24 H new ATOM 0 HB2 LYS A 101 4.131 3.358 -6.977 1.00 72.10 H new ATOM 0 HB3 LYS A 101 5.795 2.885 -7.259 1.00 72.10 H new ATOM 0 HG2 LYS A 101 3.854 2.142 -9.414 1.00 71.30 H new ATOM 0 HG3 LYS A 101 4.139 3.859 -9.211 1.00 71.30 H new ATOM 0 HD2 LYS A 101 6.644 3.357 -9.324 1.00 53.30 H new ATOM 0 HD3 LYS A 101 6.224 1.715 -9.771 1.00 53.30 H new ATOM 0 HE2 LYS A 101 4.926 2.520 -11.708 1.00 32.44 H new ATOM 0 HE3 LYS A 101 5.169 4.186 -11.224 1.00 32.44 H new ATOM 0 HZ1 LYS A 101 6.660 3.559 -12.985 1.00 44.02 H new ATOM 0 HZ2 LYS A 101 7.539 3.914 -11.575 1.00 44.02 H new ATOM 0 HZ3 LYS A 101 7.303 2.299 -12.045 1.00 44.02 H new ATOM 1462 N LYS A 102 6.578 0.060 -7.175 1.00 63.53 N ATOM 1463 CA LYS A 102 7.547 -0.957 -7.603 1.00 2.05 C ATOM 1464 C LYS A 102 7.061 -2.379 -7.344 1.00 2.42 C ATOM 1465 O LYS A 102 7.306 -3.256 -8.164 1.00 60.31 O ATOM 1466 CB LYS A 102 8.907 -0.733 -6.934 1.00 62.42 C ATOM 1467 CG LYS A 102 10.028 -0.957 -7.957 1.00 43.34 C ATOM 1468 CD LYS A 102 11.317 -0.238 -7.556 1.00 0.01 C ATOM 1469 CE LYS A 102 12.449 -0.658 -8.489 1.00 71.43 C ATOM 1470 NZ LYS A 102 12.299 -0.098 -9.843 1.00 42.01 N ATOM 0 H LYS A 102 6.925 0.675 -6.439 1.00 63.53 H new ATOM 0 HA LYS A 102 7.656 -0.844 -8.682 1.00 2.05 H new ATOM 0 HB2 LYS A 102 8.964 0.279 -6.533 1.00 62.42 H new ATOM 0 HB3 LYS A 102 9.027 -1.416 -6.093 1.00 62.42 H new ATOM 0 HG2 LYS A 102 10.223 -2.025 -8.054 1.00 43.34 H new ATOM 0 HG3 LYS A 102 9.703 -0.602 -8.935 1.00 43.34 H new ATOM 0 HD2 LYS A 102 11.174 0.841 -7.605 1.00 0.01 H new ATOM 0 HD3 LYS A 102 11.574 -0.479 -6.525 1.00 0.01 H new ATOM 0 HE2 LYS A 102 13.401 -0.335 -8.069 1.00 71.43 H new ATOM 0 HE3 LYS A 102 12.481 -1.746 -8.550 1.00 71.43 H new ATOM 0 HZ1 LYS A 102 13.092 -0.412 -10.438 1.00 42.01 H new ATOM 0 HZ2 LYS A 102 11.404 -0.427 -10.257 1.00 42.01 H new ATOM 0 HZ3 LYS A 102 12.296 0.941 -9.791 1.00 42.01 H new ATOM 1480 N ILE A 103 6.390 -2.630 -6.223 1.00 15.42 N ATOM 1481 CA ILE A 103 5.824 -3.942 -5.932 1.00 54.44 C ATOM 1482 C ILE A 103 4.801 -4.278 -7.029 1.00 4.34 C ATOM 1483 O ILE A 103 4.853 -5.359 -7.613 1.00 51.23 O ATOM 1484 CB ILE A 103 5.258 -3.944 -4.489 1.00 35.24 C ATOM 1485 CG1 ILE A 103 6.417 -3.966 -3.473 1.00 74.20 C ATOM 1486 CG2 ILE A 103 4.340 -5.139 -4.186 1.00 33.55 C ATOM 1487 CD1 ILE A 103 6.095 -3.297 -2.142 1.00 21.34 C ATOM 0 H ILE A 103 6.225 -1.934 -5.496 1.00 15.42 H new ATOM 0 HA ILE A 103 6.573 -4.734 -5.953 1.00 54.44 H new ATOM 0 HB ILE A 103 4.661 -3.036 -4.403 1.00 35.24 H new ATOM 0 HG12 ILE A 103 6.702 -5.001 -3.287 1.00 74.20 H new ATOM 0 HG13 ILE A 103 7.282 -3.472 -3.915 1.00 74.20 H new ATOM 0 HG21 ILE A 103 3.983 -5.072 -3.158 1.00 33.55 H new ATOM 0 HG22 ILE A 103 3.489 -5.126 -4.867 1.00 33.55 H new ATOM 0 HG23 ILE A 103 4.896 -6.067 -4.317 1.00 33.55 H new ATOM 0 HD11 ILE A 103 6.963 -3.356 -1.485 1.00 21.34 H new ATOM 0 HD12 ILE A 103 5.840 -2.251 -2.313 1.00 21.34 H new ATOM 0 HD13 ILE A 103 5.251 -3.804 -1.674 1.00 21.34 H new ATOM 1498 N ALA A 104 3.906 -3.340 -7.347 1.00 1.23 N ATOM 1499 CA ALA A 104 2.892 -3.469 -8.387 1.00 41.21 C ATOM 1500 C ALA A 104 3.478 -3.494 -9.808 1.00 42.23 C ATOM 1501 O ALA A 104 2.728 -3.725 -10.759 1.00 42.10 O ATOM 1502 CB ALA A 104 1.912 -2.298 -8.233 1.00 52.04 C ATOM 0 H ALA A 104 3.869 -2.440 -6.869 1.00 1.23 H new ATOM 0 HA ALA A 104 2.389 -4.428 -8.260 1.00 41.21 H new ATOM 0 HB1 ALA A 104 1.140 -2.367 -8.999 1.00 52.04 H new ATOM 0 HB2 ALA A 104 1.450 -2.338 -7.247 1.00 52.04 H new ATOM 0 HB3 ALA A 104 2.450 -1.356 -8.344 1.00 52.04 H new ATOM 1508 N ASP A 105 4.776 -3.243 -9.984 1.00 20.24 N ATOM 1509 CA ASP A 105 5.497 -3.281 -11.258 1.00 4.14 C ATOM 1510 C ASP A 105 6.107 -4.667 -11.516 1.00 34.21 C ATOM 1511 O ASP A 105 6.404 -5.032 -12.657 1.00 41.42 O ATOM 1512 CB ASP A 105 6.599 -2.221 -11.201 1.00 52.31 C ATOM 1513 CG ASP A 105 7.351 -2.038 -12.506 1.00 12.01 C ATOM 1514 OD1 ASP A 105 6.909 -1.208 -13.332 1.00 21.12 O ATOM 1515 OD2 ASP A 105 8.500 -2.521 -12.614 1.00 60.32 O ATOM 0 H ASP A 105 5.384 -2.995 -9.203 1.00 20.24 H new ATOM 0 HA ASP A 105 4.806 -3.078 -12.076 1.00 4.14 H new ATOM 0 HB2 ASP A 105 6.157 -1.268 -10.912 1.00 52.31 H new ATOM 0 HB3 ASP A 105 7.309 -2.492 -10.420 1.00 52.31 H new ATOM 1519 N LEU A 106 6.242 -5.470 -10.459 1.00 72.11 N ATOM 1520 CA LEU A 106 6.903 -6.774 -10.441 1.00 33.51 C ATOM 1521 C LEU A 106 5.915 -7.879 -10.059 1.00 0.04 C ATOM 1522 O LEU A 106 6.307 -8.948 -9.587 1.00 42.00 O ATOM 1523 CB LEU A 106 8.083 -6.715 -9.458 1.00 41.43 C ATOM 1524 CG LEU A 106 9.221 -5.763 -9.854 1.00 32.33 C ATOM 1525 CD1 LEU A 106 10.141 -5.576 -8.646 1.00 53.14 C ATOM 1526 CD2 LEU A 106 10.025 -6.325 -11.032 1.00 75.21 C ATOM 0 H LEU A 106 5.873 -5.213 -9.544 1.00 72.11 H new ATOM 0 HA LEU A 106 7.278 -7.011 -11.437 1.00 33.51 H new ATOM 0 HB2 LEU A 106 7.705 -6.416 -8.480 1.00 41.43 H new ATOM 0 HB3 LEU A 106 8.493 -7.719 -9.348 1.00 41.43 H new ATOM 0 HG LEU A 106 8.796 -4.808 -10.162 1.00 32.33 H new ATOM 0 HD11 LEU A 106 10.956 -4.902 -8.910 1.00 53.14 H new ATOM 0 HD12 LEU A 106 9.573 -5.152 -7.818 1.00 53.14 H new ATOM 0 HD13 LEU A 106 10.551 -6.541 -8.348 1.00 53.14 H new ATOM 0 HD21 LEU A 106 10.824 -5.631 -11.291 1.00 75.21 H new ATOM 0 HD22 LEU A 106 10.456 -7.286 -10.753 1.00 75.21 H new ATOM 0 HD23 LEU A 106 9.367 -6.458 -11.891 1.00 75.21 H new ATOM 1537 N TRP A 107 4.625 -7.590 -10.203 1.00 64.42 N ATOM 1538 CA TRP A 107 3.561 -8.429 -9.700 1.00 12.04 C ATOM 1539 C TRP A 107 3.470 -9.758 -10.430 1.00 53.20 C ATOM 1540 O TRP A 107 3.201 -10.785 -9.765 1.00 15.21 O ATOM 1541 CB TRP A 107 2.233 -7.660 -9.710 1.00 73.53 C ATOM 1542 CG TRP A 107 1.244 -8.292 -8.785 1.00 1.43 C ATOM 1543 CD1 TRP A 107 0.034 -8.816 -9.080 1.00 61.44 C ATOM 1544 CD2 TRP A 107 1.350 -8.348 -7.337 1.00 1.42 C ATOM 1545 NE1 TRP A 107 -0.495 -9.398 -7.936 1.00 71.12 N ATOM 1546 CE2 TRP A 107 0.237 -9.061 -6.817 1.00 12.03 C ATOM 1547 CE3 TRP A 107 2.241 -7.773 -6.413 1.00 42.31 C ATOM 1548 CZ2 TRP A 107 0.043 -9.240 -5.439 1.00 40.43 C ATOM 1549 CZ3 TRP A 107 2.025 -7.897 -5.033 1.00 73.20 C ATOM 1550 CH2 TRP A 107 0.922 -8.617 -4.537 1.00 12.23 C ATOM 0 H TRP A 107 4.293 -6.752 -10.681 1.00 64.42 H new ATOM 0 HA TRP A 107 3.795 -8.685 -8.667 1.00 12.04 H new ATOM 0 HB2 TRP A 107 2.405 -6.625 -9.413 1.00 73.53 H new ATOM 0 HB3 TRP A 107 1.828 -7.638 -10.722 1.00 73.53 H new ATOM 0 HD1 TRP A 107 -0.444 -8.787 -10.048 1.00 61.44 H new ATOM 0 HE1 TRP A 107 -1.320 -9.998 -7.925 1.00 71.12 H new ATOM 0 HE3 TRP A 107 3.103 -7.229 -6.771 1.00 42.31 H new ATOM 0 HZ2 TRP A 107 -0.772 -9.849 -5.076 1.00 40.43 H new ATOM 0 HZ3 TRP A 107 2.714 -7.434 -4.342 1.00 73.20 H new ATOM 0 HH2 TRP A 107 0.753 -8.690 -3.473 1.00 12.23 H new