USER MOD reduce.3.24.130724 H: found=0, std=0, add=546, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 554 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 40 TYR OH : rot -147:sc= -3.66! USER MOD Set 1.2: A 82 TYR OH : rot -93:sc= 1.28 USER MOD Set 2.1: A 80 SER OG : rot -100:sc= 1.27 USER MOD Set 2.2: A 81 ASN : amide:sc= -0.725 K(o=0.55,f=-0.12) USER MOD Single : A 11 ASN : amide:sc= -1.79! C(o=-1.8!,f=-1.8!) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ -135:sc= 0.536 (180deg=-1.85!) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 GLN : amide:sc= -1.34 K(o=-1.3,f=-0.79) USER MOD Single : A 44 GLN : amide:sc= -1.12 K(o=-1.1,f=-0.17) USER MOD Single : A 46 GLN : amide:sc= 0.00581 X(o=0.0058,f=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 ASN : amide:sc= -0.2 K(o=-0.2,f=-2.6!) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 THR OG1 : rot 50:sc= -2.08 USER MOD Single : A 70 ASN : amide:sc= -0.275 K(o=-0.27,f=-12!) USER MOD Single : A 73 ASN : amide:sc= -0.468 X(o=-0.47,f=-0.47) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 73 N ARG A 5 -9.003 -3.666 12.160 1.00 54.41 N ATOM 74 CA ARG A 5 -8.262 -2.783 11.266 1.00 51.11 C ATOM 75 C ARG A 5 -7.075 -3.511 10.642 1.00 34.40 C ATOM 76 O ARG A 5 -6.619 -4.541 11.137 1.00 61.40 O ATOM 77 CB ARG A 5 -7.775 -1.547 12.025 1.00 62.51 C ATOM 78 CG ARG A 5 -8.760 -0.389 12.002 1.00 45.35 C ATOM 79 CD ARG A 5 -9.215 -0.016 13.403 1.00 21.43 C ATOM 80 NE ARG A 5 -9.575 1.396 13.504 1.00 44.02 N ATOM 81 CZ ARG A 5 -10.298 1.901 14.497 1.00 3.22 C ATOM 82 NH1 ARG A 5 -10.737 1.113 15.468 1.00 1.25 N ATOM 83 NH2 ARG A 5 -10.583 3.197 14.519 1.00 61.34 N ATOM 0 HA ARG A 5 -8.934 -2.470 10.467 1.00 51.11 H new ATOM 0 HB2 ARG A 5 -7.576 -1.822 13.061 1.00 62.51 H new ATOM 0 HB3 ARG A 5 -6.829 -1.217 11.595 1.00 62.51 H new ATOM 0 HG2 ARG A 5 -8.296 0.475 11.527 1.00 45.35 H new ATOM 0 HG3 ARG A 5 -9.626 -0.658 11.397 1.00 45.35 H new ATOM 0 HD2 ARG A 5 -10.072 -0.629 13.681 1.00 21.43 H new ATOM 0 HD3 ARG A 5 -8.419 -0.239 14.114 1.00 21.43 H new ATOM 0 HE ARG A 5 -9.253 2.029 12.772 1.00 44.02 H new ATOM 0 HH11 ARG A 5 -10.520 0.117 15.454 1.00 1.25 H new ATOM 0 HH12 ARG A 5 -11.292 1.503 16.230 1.00 1.25 H new ATOM 0 HH21 ARG A 5 -10.247 3.806 13.773 1.00 61.34 H new ATOM 0 HH22 ARG A 5 -11.138 3.584 15.282 1.00 61.34 H new ATOM 97 N PRO A 6 -6.563 -2.963 9.531 1.00 42.14 N ATOM 98 CA PRO A 6 -5.423 -3.545 8.816 1.00 12.31 C ATOM 99 C PRO A 6 -4.120 -3.413 9.596 1.00 21.41 C ATOM 100 O PRO A 6 -4.033 -2.687 10.587 1.00 53.42 O ATOM 101 CB PRO A 6 -5.358 -2.724 7.525 1.00 4.44 C ATOM 102 CG PRO A 6 -5.991 -1.421 7.873 1.00 13.21 C ATOM 103 CD PRO A 6 -7.058 -1.735 8.885 1.00 72.14 C ATOM 0 HA PRO A 6 -5.549 -4.615 8.652 1.00 12.31 H new ATOM 0 HB2 PRO A 6 -4.329 -2.588 7.194 1.00 4.44 H new ATOM 0 HB3 PRO A 6 -5.891 -3.219 6.714 1.00 4.44 H new ATOM 0 HG2 PRO A 6 -5.257 -0.728 8.283 1.00 13.21 H new ATOM 0 HG3 PRO A 6 -6.419 -0.947 6.990 1.00 13.21 H new ATOM 0 HD2 PRO A 6 -7.182 -0.925 9.603 1.00 72.14 H new ATOM 0 HD3 PRO A 6 -8.027 -1.892 8.412 1.00 72.14 H new ATOM 111 N PRO A 7 -3.082 -4.132 9.144 1.00 1.21 N ATOM 112 CA PRO A 7 -1.765 -4.111 9.787 1.00 44.14 C ATOM 113 C PRO A 7 -1.050 -2.777 9.599 1.00 53.13 C ATOM 114 O PRO A 7 -1.458 -1.933 8.801 1.00 55.20 O ATOM 115 CB PRO A 7 -1.005 -5.231 9.072 1.00 3.50 C ATOM 116 CG PRO A 7 -1.665 -5.350 7.742 1.00 11.10 C ATOM 117 CD PRO A 7 -3.114 -5.020 7.970 1.00 51.54 C ATOM 0 HA PRO A 7 -1.835 -4.246 10.866 1.00 44.14 H new ATOM 0 HB2 PRO A 7 0.052 -4.988 8.968 1.00 3.50 H new ATOM 0 HB3 PRO A 7 -1.064 -6.167 9.628 1.00 3.50 H new ATOM 0 HG2 PRO A 7 -1.217 -4.666 7.021 1.00 11.10 H new ATOM 0 HG3 PRO A 7 -1.552 -6.356 7.339 1.00 11.10 H new ATOM 0 HD2 PRO A 7 -3.554 -4.525 7.104 1.00 51.54 H new ATOM 0 HD3 PRO A 7 -3.705 -5.916 8.160 1.00 51.54 H new ATOM 125 N PRO A 8 0.044 -2.580 10.350 1.00 72.53 N ATOM 126 CA PRO A 8 0.840 -1.351 10.284 1.00 62.23 C ATOM 127 C PRO A 8 1.601 -1.225 8.969 1.00 73.03 C ATOM 128 O PRO A 8 1.489 -2.079 8.089 1.00 20.44 O ATOM 129 CB PRO A 8 1.815 -1.496 11.454 1.00 10.31 C ATOM 130 CG PRO A 8 1.933 -2.965 11.669 1.00 35.30 C ATOM 131 CD PRO A 8 0.587 -3.544 11.322 1.00 25.22 C ATOM 0 HA PRO A 8 0.217 -0.458 10.339 1.00 62.23 H new ATOM 0 HB2 PRO A 8 2.782 -1.051 11.221 1.00 10.31 H new ATOM 0 HB3 PRO A 8 1.440 -0.994 12.346 1.00 10.31 H new ATOM 0 HG2 PRO A 8 2.715 -3.390 11.039 1.00 35.30 H new ATOM 0 HG3 PRO A 8 2.199 -3.188 12.702 1.00 35.30 H new ATOM 0 HD2 PRO A 8 0.677 -4.542 10.892 1.00 25.22 H new ATOM 0 HD3 PRO A 8 -0.052 -3.632 12.201 1.00 25.22 H new ATOM 139 N VAL A 9 2.377 -0.152 8.840 1.00 31.35 N ATOM 140 CA VAL A 9 3.157 0.086 7.632 1.00 22.34 C ATOM 141 C VAL A 9 4.080 -1.090 7.334 1.00 63.02 C ATOM 142 O VAL A 9 4.623 -1.730 8.236 1.00 1.12 O ATOM 143 CB VAL A 9 4.000 1.368 7.752 1.00 3.23 C ATOM 144 CG1 VAL A 9 3.130 2.601 7.557 1.00 33.14 C ATOM 145 CG2 VAL A 9 4.711 1.414 9.097 1.00 22.35 C ATOM 0 H VAL A 9 2.481 0.565 9.558 1.00 31.35 H new ATOM 0 HA VAL A 9 2.446 0.203 6.814 1.00 22.34 H new ATOM 0 HB VAL A 9 4.756 1.359 6.967 1.00 3.23 H new ATOM 0 HG11 VAL A 9 3.744 3.497 7.645 1.00 33.14 H new ATOM 0 HG12 VAL A 9 2.672 2.571 6.568 1.00 33.14 H new ATOM 0 HG13 VAL A 9 2.349 2.619 8.318 1.00 33.14 H new ATOM 0 HG21 VAL A 9 5.302 2.327 9.165 1.00 22.35 H new ATOM 0 HG22 VAL A 9 3.973 1.399 9.899 1.00 22.35 H new ATOM 0 HG23 VAL A 9 5.367 0.549 9.191 1.00 22.35 H new ATOM 155 N PRO A 10 4.266 -1.383 6.038 1.00 61.13 N ATOM 156 CA PRO A 10 5.126 -2.484 5.591 1.00 13.14 C ATOM 157 C PRO A 10 6.604 -2.203 5.840 1.00 31.01 C ATOM 158 O PRO A 10 7.360 -1.940 4.907 1.00 12.24 O ATOM 159 CB PRO A 10 4.843 -2.566 4.089 1.00 21.43 C ATOM 160 CG PRO A 10 4.389 -1.199 3.714 1.00 14.43 C ATOM 161 CD PRO A 10 3.652 -0.663 4.910 1.00 4.24 C ATOM 0 HA PRO A 10 4.918 -3.409 6.130 1.00 13.14 H new ATOM 0 HB2 PRO A 10 5.736 -2.853 3.533 1.00 21.43 H new ATOM 0 HB3 PRO A 10 4.078 -3.311 3.870 1.00 21.43 H new ATOM 0 HG2 PRO A 10 5.237 -0.562 3.461 1.00 14.43 H new ATOM 0 HG3 PRO A 10 3.741 -1.230 2.838 1.00 14.43 H new ATOM 0 HD2 PRO A 10 3.774 0.416 5.007 1.00 4.24 H new ATOM 0 HD3 PRO A 10 2.582 -0.858 4.843 1.00 4.24 H new ATOM 169 N ASN A 11 7.008 -2.262 7.106 1.00 10.31 N ATOM 170 CA ASN A 11 8.396 -2.014 7.476 1.00 15.01 C ATOM 171 C ASN A 11 8.993 -0.892 6.632 1.00 71.51 C ATOM 172 O ASN A 11 9.653 -1.127 5.621 1.00 62.10 O ATOM 173 CB ASN A 11 9.225 -3.289 7.311 1.00 43.40 C ATOM 174 CG ASN A 11 8.841 -4.072 6.071 1.00 35.31 C ATOM 175 OD1 ASN A 11 7.955 -4.926 6.113 1.00 11.42 O ATOM 176 ND2 ASN A 11 9.507 -3.783 4.959 1.00 51.14 N ATOM 0 H ASN A 11 6.394 -2.479 7.891 1.00 10.31 H new ATOM 0 HA ASN A 11 8.418 -1.707 8.522 1.00 15.01 H new ATOM 0 HB2 ASN A 11 10.282 -3.028 7.259 1.00 43.40 H new ATOM 0 HB3 ASN A 11 9.095 -3.920 8.190 1.00 43.40 H new ATOM 0 HD21 ASN A 11 9.292 -4.277 4.093 1.00 51.14 H new ATOM 0 HD22 ASN A 11 10.234 -3.067 4.971 1.00 51.14 H new ATOM 183 N PRO A 12 8.756 0.359 7.056 1.00 64.54 N ATOM 184 CA PRO A 12 9.263 1.541 6.355 1.00 23.24 C ATOM 185 C PRO A 12 10.776 1.683 6.475 1.00 0.21 C ATOM 186 O PRO A 12 11.342 1.510 7.555 1.00 2.44 O ATOM 187 CB PRO A 12 8.559 2.702 7.065 1.00 5.12 C ATOM 188 CG PRO A 12 8.248 2.181 8.425 1.00 12.34 C ATOM 189 CD PRO A 12 7.976 0.712 8.255 1.00 34.22 C ATOM 0 HA PRO A 12 9.067 1.495 5.284 1.00 23.24 H new ATOM 0 HB2 PRO A 12 9.200 3.582 7.115 1.00 5.12 H new ATOM 0 HB3 PRO A 12 7.652 2.997 6.537 1.00 5.12 H new ATOM 0 HG2 PRO A 12 9.082 2.347 9.106 1.00 12.34 H new ATOM 0 HG3 PRO A 12 7.383 2.691 8.850 1.00 12.34 H new ATOM 0 HD2 PRO A 12 8.296 0.140 9.126 1.00 34.22 H new ATOM 0 HD3 PRO A 12 6.913 0.513 8.116 1.00 34.22 H new ATOM 197 N ASP A 13 11.426 1.998 5.360 1.00 75.40 N ATOM 198 CA ASP A 13 12.875 2.164 5.340 1.00 75.42 C ATOM 199 C ASP A 13 13.262 3.467 4.649 1.00 51.15 C ATOM 200 O ASP A 13 13.985 3.461 3.653 1.00 2.13 O ATOM 201 CB ASP A 13 13.535 0.980 4.633 1.00 4.41 C ATOM 202 CG ASP A 13 14.990 0.809 5.025 1.00 33.33 C ATOM 203 OD1 ASP A 13 15.287 -0.116 5.810 1.00 24.11 O ATOM 204 OD2 ASP A 13 15.829 1.600 4.547 1.00 74.34 O ATOM 0 H ASP A 13 10.973 2.144 4.458 1.00 75.40 H new ATOM 0 HA ASP A 13 13.227 2.203 6.371 1.00 75.42 H new ATOM 0 HB2 ASP A 13 12.988 0.068 4.871 1.00 4.41 H new ATOM 0 HB3 ASP A 13 13.466 1.121 3.554 1.00 4.41 H new ATOM 210 N TYR A 14 12.776 4.581 5.182 1.00 20.42 N ATOM 211 CA TYR A 14 13.069 5.892 4.614 1.00 70.43 C ATOM 212 C TYR A 14 13.965 6.702 5.548 1.00 42.13 C ATOM 213 O TYR A 14 14.447 7.774 5.186 1.00 11.14 O ATOM 214 CB TYR A 14 11.772 6.656 4.345 1.00 34.43 C ATOM 215 CG TYR A 14 10.747 6.519 5.450 1.00 53.12 C ATOM 216 CD1 TYR A 14 11.045 6.905 6.751 1.00 71.43 C ATOM 217 CD2 TYR A 14 9.483 6.004 5.192 1.00 14.01 C ATOM 218 CE1 TYR A 14 10.114 6.781 7.763 1.00 71.01 C ATOM 219 CE2 TYR A 14 8.544 5.878 6.198 1.00 23.42 C ATOM 220 CZ TYR A 14 8.864 6.268 7.482 1.00 42.43 C ATOM 221 OH TYR A 14 7.932 6.143 8.486 1.00 45.22 O ATOM 0 H TYR A 14 12.177 4.603 6.007 1.00 20.42 H new ATOM 0 HA TYR A 14 13.597 5.742 3.672 1.00 70.43 H new ATOM 0 HB2 TYR A 14 12.004 7.712 4.206 1.00 34.43 H new ATOM 0 HB3 TYR A 14 11.337 6.299 3.411 1.00 34.43 H new ATOM 0 HD1 TYR A 14 12.021 7.309 6.974 1.00 71.43 H new ATOM 0 HD2 TYR A 14 9.230 5.697 4.188 1.00 14.01 H new ATOM 0 HE1 TYR A 14 10.363 7.084 8.769 1.00 71.01 H new ATOM 0 HE2 TYR A 14 7.565 5.477 5.980 1.00 23.42 H new ATOM 0 HH TYR A 14 7.105 5.766 8.119 1.00 45.22 H new ATOM 491 N GLU A 31 3.837 8.197 -17.069 1.00 15.34 N ATOM 492 CA GLU A 31 2.682 8.849 -16.464 1.00 35.01 C ATOM 493 C GLU A 31 1.782 7.829 -15.771 1.00 42.23 C ATOM 494 O GLU A 31 0.784 7.380 -16.337 1.00 21.34 O ATOM 495 CB GLU A 31 1.884 9.612 -17.525 1.00 63.42 C ATOM 496 CG GLU A 31 0.586 10.202 -17.002 1.00 53.15 C ATOM 497 CD GLU A 31 0.324 11.598 -17.534 1.00 1.41 C ATOM 498 OE1 GLU A 31 1.171 12.488 -17.309 1.00 63.20 O ATOM 499 OE2 GLU A 31 -0.727 11.801 -18.177 1.00 32.14 O ATOM 0 HA GLU A 31 3.046 9.554 -15.717 1.00 35.01 H new ATOM 0 HB2 GLU A 31 2.503 10.415 -17.925 1.00 63.42 H new ATOM 0 HB3 GLU A 31 1.660 8.939 -18.353 1.00 63.42 H new ATOM 0 HG2 GLU A 31 -0.243 9.550 -17.279 1.00 53.15 H new ATOM 0 HG3 GLU A 31 0.618 10.232 -15.913 1.00 53.15 H new ATOM 506 N VAL A 32 2.142 7.468 -14.544 1.00 64.30 N ATOM 507 CA VAL A 32 1.369 6.502 -13.773 1.00 14.13 C ATOM 508 C VAL A 32 0.600 7.185 -12.649 1.00 33.15 C ATOM 509 O VAL A 32 0.990 8.253 -12.176 1.00 64.33 O ATOM 510 CB VAL A 32 2.275 5.410 -13.171 1.00 14.43 C ATOM 511 CG1 VAL A 32 1.436 4.274 -12.607 1.00 30.51 C ATOM 512 CG2 VAL A 32 3.252 4.895 -14.215 1.00 71.25 C ATOM 0 H VAL A 32 2.965 7.830 -14.062 1.00 64.30 H new ATOM 0 HA VAL A 32 0.663 6.039 -14.463 1.00 14.13 H new ATOM 0 HB VAL A 32 2.849 5.846 -12.354 1.00 14.43 H new ATOM 0 HG11 VAL A 32 2.092 3.512 -12.186 1.00 30.51 H new ATOM 0 HG12 VAL A 32 0.779 4.659 -11.827 1.00 30.51 H new ATOM 0 HG13 VAL A 32 0.835 3.836 -13.403 1.00 30.51 H new ATOM 0 HG21 VAL A 32 3.884 4.125 -13.773 1.00 71.25 H new ATOM 0 HG22 VAL A 32 2.699 4.473 -15.054 1.00 71.25 H new ATOM 0 HG23 VAL A 32 3.875 5.717 -14.567 1.00 71.25 H new ATOM 522 N ILE A 33 -0.496 6.564 -12.225 1.00 40.33 N ATOM 523 CA ILE A 33 -1.320 7.112 -11.154 1.00 43.35 C ATOM 524 C ILE A 33 -1.788 6.015 -10.205 1.00 44.33 C ATOM 525 O ILE A 33 -2.235 4.953 -10.638 1.00 15.21 O ATOM 526 CB ILE A 33 -2.549 7.852 -11.714 1.00 23.41 C ATOM 527 CG1 ILE A 33 -2.118 9.125 -12.444 1.00 24.32 C ATOM 528 CG2 ILE A 33 -3.523 8.182 -10.592 1.00 64.34 C ATOM 529 CD1 ILE A 33 -3.262 9.860 -13.105 1.00 21.51 C ATOM 0 H ILE A 33 -0.834 5.681 -12.607 1.00 40.33 H new ATOM 0 HA ILE A 33 -0.698 7.820 -10.606 1.00 43.35 H new ATOM 0 HB ILE A 33 -3.053 7.201 -12.428 1.00 23.41 H new ATOM 0 HG12 ILE A 33 -1.629 9.793 -11.735 1.00 24.32 H new ATOM 0 HG13 ILE A 33 -1.377 8.867 -13.201 1.00 24.32 H new ATOM 0 HG21 ILE A 33 -4.387 8.705 -11.002 1.00 64.34 H new ATOM 0 HG22 ILE A 33 -3.851 7.260 -10.112 1.00 64.34 H new ATOM 0 HG23 ILE A 33 -3.029 8.818 -9.857 1.00 64.34 H new ATOM 0 HD11 ILE A 33 -2.882 10.752 -13.603 1.00 21.51 H new ATOM 0 HD12 ILE A 33 -3.737 9.209 -13.839 1.00 21.51 H new ATOM 0 HD13 ILE A 33 -3.993 10.150 -12.350 1.00 21.51 H new ATOM 541 N VAL A 34 -1.683 6.279 -8.906 1.00 70.13 N ATOM 542 CA VAL A 34 -2.098 5.315 -7.894 1.00 14.32 C ATOM 543 C VAL A 34 -3.362 5.780 -7.179 1.00 54.12 C ATOM 544 O VAL A 34 -3.831 6.899 -7.392 1.00 73.20 O ATOM 545 CB VAL A 34 -0.989 5.083 -6.852 1.00 61.23 C ATOM 546 CG1 VAL A 34 -1.133 6.053 -5.691 1.00 35.51 C ATOM 547 CG2 VAL A 34 -1.014 3.642 -6.361 1.00 2.41 C ATOM 0 H VAL A 34 -1.314 7.152 -8.530 1.00 70.13 H new ATOM 0 HA VAL A 34 -2.300 4.378 -8.413 1.00 14.32 H new ATOM 0 HB VAL A 34 -0.025 5.266 -7.327 1.00 61.23 H new ATOM 0 HG11 VAL A 34 -0.340 5.873 -4.966 1.00 35.51 H new ATOM 0 HG12 VAL A 34 -1.061 7.076 -6.060 1.00 35.51 H new ATOM 0 HG13 VAL A 34 -2.102 5.907 -5.213 1.00 35.51 H new ATOM 0 HG21 VAL A 34 -0.224 3.495 -5.625 1.00 2.41 H new ATOM 0 HG22 VAL A 34 -1.980 3.430 -5.903 1.00 2.41 H new ATOM 0 HG23 VAL A 34 -0.856 2.968 -7.203 1.00 2.41 H new ATOM 557 N ILE A 35 -3.908 4.916 -6.331 1.00 64.43 N ATOM 558 CA ILE A 35 -5.116 5.239 -5.582 1.00 41.34 C ATOM 559 C ILE A 35 -5.011 4.761 -4.138 1.00 13.25 C ATOM 560 O ILE A 35 -4.657 3.612 -3.876 1.00 14.35 O ATOM 561 CB ILE A 35 -6.363 4.609 -6.231 1.00 23.31 C ATOM 562 CG1 ILE A 35 -6.508 5.083 -7.677 1.00 11.42 C ATOM 563 CG2 ILE A 35 -7.608 4.955 -5.427 1.00 32.32 C ATOM 564 CD1 ILE A 35 -7.722 4.516 -8.381 1.00 3.41 C ATOM 0 H ILE A 35 -3.533 3.986 -6.145 1.00 64.43 H new ATOM 0 HA ILE A 35 -5.217 6.324 -5.596 1.00 41.34 H new ATOM 0 HB ILE A 35 -6.245 3.525 -6.235 1.00 23.31 H new ATOM 0 HG12 ILE A 35 -6.566 6.171 -7.690 1.00 11.42 H new ATOM 0 HG13 ILE A 35 -5.613 4.805 -8.233 1.00 11.42 H new ATOM 0 HG21 ILE A 35 -8.482 4.503 -5.897 1.00 32.32 H new ATOM 0 HG22 ILE A 35 -7.504 4.572 -4.412 1.00 32.32 H new ATOM 0 HG23 ILE A 35 -7.732 6.038 -5.396 1.00 32.32 H new ATOM 0 HD11 ILE A 35 -7.761 4.895 -9.402 1.00 3.41 H new ATOM 0 HD12 ILE A 35 -7.656 3.428 -8.400 1.00 3.41 H new ATOM 0 HD13 ILE A 35 -8.625 4.816 -7.848 1.00 3.41 H new ATOM 576 N ALA A 36 -5.324 5.654 -3.203 1.00 72.42 N ATOM 577 CA ALA A 36 -5.269 5.323 -1.784 1.00 14.03 C ATOM 578 C ALA A 36 -6.485 4.504 -1.365 1.00 71.50 C ATOM 579 O ALA A 36 -7.622 4.965 -1.464 1.00 13.11 O ATOM 580 CB ALA A 36 -5.172 6.592 -0.951 1.00 30.34 C ATOM 0 H ALA A 36 -5.618 6.610 -3.403 1.00 72.42 H new ATOM 0 HA ALA A 36 -4.379 4.718 -1.610 1.00 14.03 H new ATOM 0 HB1 ALA A 36 -5.132 6.331 0.106 1.00 30.34 H new ATOM 0 HB2 ALA A 36 -4.270 7.139 -1.224 1.00 30.34 H new ATOM 0 HB3 ALA A 36 -6.045 7.217 -1.137 1.00 30.34 H new ATOM 586 N LYS A 37 -6.239 3.287 -0.894 1.00 62.13 N ATOM 587 CA LYS A 37 -7.312 2.401 -0.458 1.00 22.15 C ATOM 588 C LYS A 37 -7.908 2.880 0.862 1.00 34.42 C ATOM 589 O LYS A 37 -9.075 2.620 1.157 1.00 5.14 O ATOM 590 CB LYS A 37 -6.791 0.970 -0.305 1.00 42.12 C ATOM 591 CG LYS A 37 -5.906 0.519 -1.455 1.00 31.24 C ATOM 592 CD LYS A 37 -5.477 -0.929 -1.292 1.00 43.50 C ATOM 593 CE LYS A 37 -4.093 -1.033 -0.672 1.00 23.54 C ATOM 594 NZ LYS A 37 -3.286 -2.120 -1.291 1.00 43.13 N ATOM 0 H LYS A 37 -5.304 2.890 -0.804 1.00 62.13 H new ATOM 0 HA LYS A 37 -8.094 2.416 -1.218 1.00 22.15 H new ATOM 0 HB2 LYS A 37 -6.229 0.894 0.626 1.00 42.12 H new ATOM 0 HB3 LYS A 37 -7.639 0.290 -0.222 1.00 42.12 H new ATOM 0 HG2 LYS A 37 -6.443 0.637 -2.396 1.00 31.24 H new ATOM 0 HG3 LYS A 37 -5.024 1.157 -1.509 1.00 31.24 H new ATOM 0 HD2 LYS A 37 -6.198 -1.455 -0.666 1.00 43.50 H new ATOM 0 HD3 LYS A 37 -5.479 -1.422 -2.264 1.00 43.50 H new ATOM 0 HE2 LYS A 37 -3.571 -0.083 -0.788 1.00 23.54 H new ATOM 0 HE3 LYS A 37 -4.188 -1.216 0.398 1.00 23.54 H new ATOM 0 HZ1 LYS A 37 -2.813 -2.669 -0.545 1.00 43.13 H new ATOM 0 HZ2 LYS A 37 -3.910 -2.746 -1.839 1.00 43.13 H new ATOM 0 HZ3 LYS A 37 -2.571 -1.705 -1.922 1.00 43.13 H new ATOM 608 N TRP A 38 -7.102 3.579 1.651 1.00 22.11 N ATOM 609 CA TRP A 38 -7.551 4.094 2.940 1.00 1.14 C ATOM 610 C TRP A 38 -6.924 5.455 3.231 1.00 41.14 C ATOM 611 O TRP A 38 -6.314 6.066 2.355 1.00 1.43 O ATOM 612 CB TRP A 38 -7.202 3.109 4.056 1.00 0.04 C ATOM 613 CG TRP A 38 -7.118 1.688 3.590 1.00 12.32 C ATOM 614 CD1 TRP A 38 -5.982 0.981 3.316 1.00 61.13 C ATOM 615 CD2 TRP A 38 -8.214 0.801 3.340 1.00 2.32 C ATOM 616 NE1 TRP A 38 -6.306 -0.291 2.910 1.00 23.44 N ATOM 617 CE2 TRP A 38 -7.670 -0.427 2.918 1.00 64.42 C ATOM 618 CE3 TRP A 38 -9.603 0.925 3.433 1.00 3.12 C ATOM 619 CZ2 TRP A 38 -8.465 -1.522 2.590 1.00 21.14 C ATOM 620 CZ3 TRP A 38 -10.392 -0.161 3.108 1.00 50.13 C ATOM 621 CH2 TRP A 38 -9.823 -1.372 2.690 1.00 65.01 C ATOM 0 H TRP A 38 -6.134 3.803 1.422 1.00 22.11 H new ATOM 0 HA TRP A 38 -8.633 4.215 2.898 1.00 1.14 H new ATOM 0 HB2 TRP A 38 -6.248 3.396 4.498 1.00 0.04 H new ATOM 0 HB3 TRP A 38 -7.953 3.182 4.843 1.00 0.04 H new ATOM 0 HD1 TRP A 38 -4.977 1.365 3.405 1.00 61.13 H new ATOM 0 HE1 TRP A 38 -5.640 -1.017 2.646 1.00 23.44 H new ATOM 0 HE3 TRP A 38 -10.052 1.854 3.753 1.00 3.12 H new ATOM 0 HZ2 TRP A 38 -8.027 -2.455 2.269 1.00 21.14 H new ATOM 0 HZ3 TRP A 38 -11.466 -0.076 3.177 1.00 50.13 H new ATOM 0 HH2 TRP A 38 -10.467 -2.202 2.442 1.00 65.01 H new ATOM 632 N ASP A 39 -7.080 5.920 4.466 1.00 55.43 N ATOM 633 CA ASP A 39 -6.528 7.208 4.872 1.00 52.03 C ATOM 634 C ASP A 39 -5.383 7.020 5.862 1.00 52.41 C ATOM 635 O ASP A 39 -5.543 6.369 6.895 1.00 52.13 O ATOM 636 CB ASP A 39 -7.618 8.081 5.494 1.00 54.11 C ATOM 637 CG ASP A 39 -8.713 7.261 6.150 1.00 31.25 C ATOM 638 OD1 ASP A 39 -9.902 7.565 5.918 1.00 31.33 O ATOM 639 OD2 ASP A 39 -8.379 6.316 6.893 1.00 20.21 O ATOM 0 H ASP A 39 -7.583 5.425 5.202 1.00 55.43 H new ATOM 0 HA ASP A 39 -6.139 7.705 3.983 1.00 52.03 H new ATOM 0 HB2 ASP A 39 -7.170 8.743 6.235 1.00 54.11 H new ATOM 0 HB3 ASP A 39 -8.055 8.715 4.723 1.00 54.11 H new ATOM 645 N TYR A 40 -4.230 7.593 5.540 1.00 63.21 N ATOM 646 CA TYR A 40 -3.056 7.485 6.400 1.00 11.42 C ATOM 647 C TYR A 40 -2.504 8.867 6.741 1.00 61.35 C ATOM 648 O TYR A 40 -2.404 9.740 5.880 1.00 4.10 O ATOM 649 CB TYR A 40 -1.974 6.646 5.718 1.00 21.43 C ATOM 650 CG TYR A 40 -1.195 5.771 6.675 1.00 52.11 C ATOM 651 CD1 TYR A 40 -1.847 4.883 7.521 1.00 1.01 C ATOM 652 CD2 TYR A 40 0.191 5.834 6.731 1.00 64.21 C ATOM 653 CE1 TYR A 40 -1.140 4.083 8.397 1.00 64.52 C ATOM 654 CE2 TYR A 40 0.908 5.035 7.602 1.00 20.42 C ATOM 655 CZ TYR A 40 0.237 4.162 8.434 1.00 44.33 C ATOM 656 OH TYR A 40 0.946 3.365 9.304 1.00 35.33 O ATOM 0 H TYR A 40 -4.082 8.137 4.690 1.00 63.21 H new ATOM 0 HA TYR A 40 -3.357 6.994 7.325 1.00 11.42 H new ATOM 0 HB2 TYR A 40 -2.438 6.017 4.959 1.00 21.43 H new ATOM 0 HB3 TYR A 40 -1.282 7.311 5.201 1.00 21.43 H new ATOM 0 HD1 TYR A 40 -2.925 4.817 7.493 1.00 1.01 H new ATOM 0 HD2 TYR A 40 0.718 6.519 6.083 1.00 64.21 H new ATOM 0 HE1 TYR A 40 -1.662 3.399 9.050 1.00 64.52 H new ATOM 0 HE2 TYR A 40 1.986 5.094 7.631 1.00 20.42 H new ATOM 0 HH TYR A 40 1.748 3.842 9.605 1.00 35.33 H new ATOM 666 N THR A 41 -2.147 9.056 8.009 1.00 60.34 N ATOM 667 CA THR A 41 -1.605 10.328 8.468 1.00 54.14 C ATOM 668 C THR A 41 -0.081 10.324 8.427 1.00 40.01 C ATOM 669 O THR A 41 0.559 9.388 8.905 1.00 42.43 O ATOM 670 CB THR A 41 -2.068 10.652 9.900 1.00 35.21 C ATOM 671 OG1 THR A 41 -1.459 11.867 10.350 1.00 63.03 O ATOM 672 CG2 THR A 41 -1.716 9.518 10.853 1.00 13.42 C ATOM 0 H THR A 41 -2.224 8.344 8.735 1.00 60.34 H new ATOM 0 HA THR A 41 -1.981 11.094 7.790 1.00 54.14 H new ATOM 0 HB THR A 41 -3.151 10.773 9.889 1.00 35.21 H new ATOM 0 HG1 THR A 41 -1.760 12.066 11.261 1.00 63.03 H new ATOM 0 HG21 THR A 41 -2.053 9.770 11.859 1.00 13.42 H new ATOM 0 HG22 THR A 41 -2.206 8.602 10.525 1.00 13.42 H new ATOM 0 HG23 THR A 41 -0.636 9.370 10.859 1.00 13.42 H new ATOM 680 N ALA A 42 0.493 11.377 7.856 1.00 41.34 N ATOM 681 CA ALA A 42 1.943 11.494 7.756 1.00 44.52 C ATOM 682 C ALA A 42 2.599 11.381 9.127 1.00 20.52 C ATOM 683 O ALA A 42 2.622 12.343 9.894 1.00 31.12 O ATOM 684 CB ALA A 42 2.322 12.812 7.094 1.00 33.44 C ATOM 0 H ALA A 42 -0.023 12.161 7.456 1.00 41.34 H new ATOM 0 HA ALA A 42 2.307 10.672 7.140 1.00 44.52 H new ATOM 0 HB1 ALA A 42 3.407 12.886 7.026 1.00 33.44 H new ATOM 0 HB2 ALA A 42 1.892 12.853 6.093 1.00 33.44 H new ATOM 0 HB3 ALA A 42 1.938 13.641 7.688 1.00 33.44 H new ATOM 690 N GLN A 43 3.131 10.202 9.429 1.00 53.21 N ATOM 691 CA GLN A 43 3.785 9.963 10.710 1.00 61.33 C ATOM 692 C GLN A 43 4.932 10.946 10.925 1.00 21.32 C ATOM 693 O GLN A 43 5.274 11.274 12.062 1.00 52.12 O ATOM 694 CB GLN A 43 4.308 8.528 10.780 1.00 64.14 C ATOM 695 CG GLN A 43 5.032 8.082 9.520 1.00 61.13 C ATOM 696 CD GLN A 43 4.276 7.011 8.760 1.00 63.35 C ATOM 697 OE1 GLN A 43 4.255 5.846 9.160 1.00 24.01 O ATOM 698 NE2 GLN A 43 3.648 7.399 7.656 1.00 0.32 N ATOM 0 H GLN A 43 3.122 9.396 8.804 1.00 53.21 H new ATOM 0 HA GLN A 43 3.049 10.112 11.500 1.00 61.33 H new ATOM 0 HB2 GLN A 43 4.985 8.438 11.629 1.00 64.14 H new ATOM 0 HB3 GLN A 43 3.472 7.854 10.966 1.00 64.14 H new ATOM 0 HG2 GLN A 43 5.186 8.943 8.870 1.00 61.13 H new ATOM 0 HG3 GLN A 43 6.019 7.704 9.787 1.00 61.13 H new ATOM 0 HE21 GLN A 43 3.691 8.374 7.361 1.00 0.32 H new ATOM 0 HE22 GLN A 43 3.122 6.722 7.104 1.00 0.32 H new ATOM 707 N GLN A 44 5.521 11.411 9.828 1.00 65.43 N ATOM 708 CA GLN A 44 6.630 12.355 9.898 1.00 22.45 C ATOM 709 C GLN A 44 6.508 13.418 8.813 1.00 11.23 C ATOM 710 O GLN A 44 5.478 13.526 8.148 1.00 73.12 O ATOM 711 CB GLN A 44 7.963 11.619 9.762 1.00 44.24 C ATOM 712 CG GLN A 44 8.026 10.321 10.551 1.00 40.10 C ATOM 713 CD GLN A 44 9.345 9.594 10.375 1.00 63.11 C ATOM 714 OE1 GLN A 44 9.959 9.155 11.347 1.00 23.13 O ATOM 715 NE2 GLN A 44 9.788 9.465 9.130 1.00 61.50 N ATOM 0 H GLN A 44 5.249 11.149 8.880 1.00 65.43 H new ATOM 0 HA GLN A 44 6.594 12.848 10.869 1.00 22.45 H new ATOM 0 HB2 GLN A 44 8.143 11.403 8.709 1.00 44.24 H new ATOM 0 HB3 GLN A 44 8.767 12.276 10.095 1.00 44.24 H new ATOM 0 HG2 GLN A 44 7.872 10.535 11.609 1.00 40.10 H new ATOM 0 HG3 GLN A 44 7.211 9.669 10.236 1.00 40.10 H new ATOM 0 HE21 GLN A 44 9.246 9.845 8.354 1.00 61.50 H new ATOM 0 HE22 GLN A 44 10.670 8.986 8.950 1.00 61.50 H new ATOM 724 N ASP A 45 7.567 14.204 8.640 1.00 53.30 N ATOM 725 CA ASP A 45 7.578 15.259 7.634 1.00 3.41 C ATOM 726 C ASP A 45 7.853 14.687 6.247 1.00 51.24 C ATOM 727 O ASP A 45 7.399 15.229 5.240 1.00 24.24 O ATOM 728 CB ASP A 45 8.632 16.312 7.982 1.00 0.53 C ATOM 729 CG ASP A 45 10.024 15.908 7.534 1.00 31.12 C ATOM 730 OD1 ASP A 45 10.476 16.408 6.481 1.00 61.41 O ATOM 731 OD2 ASP A 45 10.660 15.095 8.235 1.00 2.41 O ATOM 0 H ASP A 45 8.427 14.130 9.183 1.00 53.30 H new ATOM 0 HA ASP A 45 6.594 15.728 7.625 1.00 3.41 H new ATOM 0 HB2 ASP A 45 8.363 17.259 7.514 1.00 0.53 H new ATOM 0 HB3 ASP A 45 8.634 16.478 9.059 1.00 0.53 H new ATOM 737 N GLN A 46 8.599 13.586 6.205 1.00 1.35 N ATOM 738 CA GLN A 46 8.935 12.942 4.940 1.00 71.24 C ATOM 739 C GLN A 46 7.700 12.308 4.308 1.00 60.22 C ATOM 740 O GLN A 46 7.527 12.347 3.091 1.00 0.50 O ATOM 741 CB GLN A 46 10.013 11.879 5.156 1.00 65.11 C ATOM 742 CG GLN A 46 11.431 12.420 5.051 1.00 60.20 C ATOM 743 CD GLN A 46 12.463 11.323 4.873 1.00 4.21 C ATOM 744 OE1 GLN A 46 13.117 11.233 3.833 1.00 33.12 O ATOM 745 NE2 GLN A 46 12.613 10.481 5.887 1.00 21.44 N ATOM 0 H GLN A 46 8.981 13.123 7.030 1.00 1.35 H new ATOM 0 HA GLN A 46 9.317 13.705 4.262 1.00 71.24 H new ATOM 0 HB2 GLN A 46 9.876 11.430 6.140 1.00 65.11 H new ATOM 0 HB3 GLN A 46 9.881 11.085 4.421 1.00 65.11 H new ATOM 0 HG2 GLN A 46 11.491 13.110 4.209 1.00 60.20 H new ATOM 0 HG3 GLN A 46 11.665 12.992 5.949 1.00 60.20 H new ATOM 0 HE21 GLN A 46 12.050 10.593 6.730 1.00 21.44 H new ATOM 0 HE22 GLN A 46 13.291 9.722 5.824 1.00 21.44 H new ATOM 754 N GLU A 47 6.846 11.724 5.143 1.00 24.12 N ATOM 755 CA GLU A 47 5.629 11.081 4.664 1.00 53.12 C ATOM 756 C GLU A 47 4.566 12.119 4.317 1.00 12.54 C ATOM 757 O GLU A 47 4.717 13.304 4.619 1.00 73.03 O ATOM 758 CB GLU A 47 5.088 10.113 5.718 1.00 21.21 C ATOM 759 CG GLU A 47 6.169 9.303 6.413 1.00 62.12 C ATOM 760 CD GLU A 47 7.239 8.813 5.454 1.00 73.43 C ATOM 761 OE1 GLU A 47 6.876 8.323 4.364 1.00 32.12 O ATOM 762 OE2 GLU A 47 8.435 8.920 5.794 1.00 73.43 O ATOM 0 H GLU A 47 6.975 11.683 6.154 1.00 24.12 H new ATOM 0 HA GLU A 47 5.875 10.522 3.761 1.00 53.12 H new ATOM 0 HB2 GLU A 47 4.532 10.678 6.466 1.00 21.21 H new ATOM 0 HB3 GLU A 47 4.383 9.430 5.244 1.00 21.21 H new ATOM 0 HG2 GLU A 47 6.633 9.913 7.188 1.00 62.12 H new ATOM 0 HG3 GLU A 47 5.713 8.447 6.911 1.00 62.12 H new ATOM 769 N LEU A 48 3.491 11.666 3.682 1.00 13.23 N ATOM 770 CA LEU A 48 2.401 12.555 3.293 1.00 11.31 C ATOM 771 C LEU A 48 1.056 11.998 3.745 1.00 54.10 C ATOM 772 O LEU A 48 0.817 10.792 3.679 1.00 45.53 O ATOM 773 CB LEU A 48 2.398 12.758 1.777 1.00 10.41 C ATOM 774 CG LEU A 48 2.354 14.207 1.292 1.00 52.22 C ATOM 775 CD1 LEU A 48 2.609 14.278 -0.204 1.00 54.31 C ATOM 776 CD2 LEU A 48 1.016 14.845 1.638 1.00 72.43 C ATOM 0 H LEU A 48 3.350 10.689 3.425 1.00 13.23 H new ATOM 0 HA LEU A 48 2.558 13.516 3.782 1.00 11.31 H new ATOM 0 HB2 LEU A 48 3.290 12.286 1.366 1.00 10.41 H new ATOM 0 HB3 LEU A 48 1.539 12.231 1.362 1.00 10.41 H new ATOM 0 HG LEU A 48 3.142 14.763 1.800 1.00 52.22 H new ATOM 0 HD11 LEU A 48 2.574 15.317 -0.530 1.00 54.31 H new ATOM 0 HD12 LEU A 48 3.591 13.861 -0.426 1.00 54.31 H new ATOM 0 HD13 LEU A 48 1.845 13.706 -0.731 1.00 54.31 H new ATOM 0 HD21 LEU A 48 1.003 15.876 1.285 1.00 72.43 H new ATOM 0 HD22 LEU A 48 0.212 14.287 1.158 1.00 72.43 H new ATOM 0 HD23 LEU A 48 0.874 14.829 2.719 1.00 72.43 H new ATOM 788 N ASP A 49 0.178 12.884 4.206 1.00 42.25 N ATOM 789 CA ASP A 49 -1.145 12.481 4.666 1.00 20.34 C ATOM 790 C ASP A 49 -2.085 12.254 3.486 1.00 11.05 C ATOM 791 O ASP A 49 -2.415 13.188 2.754 1.00 62.22 O ATOM 792 CB ASP A 49 -1.728 13.541 5.602 1.00 62.23 C ATOM 793 CG ASP A 49 -0.664 14.218 6.443 1.00 43.30 C ATOM 794 OD1 ASP A 49 0.086 15.053 5.894 1.00 12.45 O ATOM 795 OD2 ASP A 49 -0.580 13.914 7.651 1.00 62.14 O ATOM 0 H ASP A 49 0.360 13.886 4.271 1.00 42.25 H new ATOM 0 HA ASP A 49 -1.043 11.543 5.211 1.00 20.34 H new ATOM 0 HB2 ASP A 49 -2.254 14.292 5.013 1.00 62.23 H new ATOM 0 HB3 ASP A 49 -2.465 13.077 6.258 1.00 62.23 H new ATOM 801 N ILE A 50 -2.514 11.010 3.309 1.00 70.25 N ATOM 802 CA ILE A 50 -3.417 10.660 2.219 1.00 64.22 C ATOM 803 C ILE A 50 -4.783 10.241 2.750 1.00 42.53 C ATOM 804 O ILE A 50 -4.886 9.604 3.798 1.00 55.12 O ATOM 805 CB ILE A 50 -2.842 9.522 1.356 1.00 54.24 C ATOM 806 CG1 ILE A 50 -2.290 8.406 2.245 1.00 21.13 C ATOM 807 CG2 ILE A 50 -1.758 10.053 0.430 1.00 11.32 C ATOM 808 CD1 ILE A 50 -2.672 7.017 1.782 1.00 13.04 C ATOM 0 H ILE A 50 -2.251 10.226 3.907 1.00 70.25 H new ATOM 0 HA ILE A 50 -3.528 11.552 1.602 1.00 64.22 H new ATOM 0 HB ILE A 50 -3.645 9.110 0.745 1.00 54.24 H new ATOM 0 HG12 ILE A 50 -1.203 8.483 2.277 1.00 21.13 H new ATOM 0 HG13 ILE A 50 -2.650 8.552 3.263 1.00 21.13 H new ATOM 0 HG21 ILE A 50 -1.362 9.236 -0.173 1.00 11.32 H new ATOM 0 HG22 ILE A 50 -2.180 10.816 -0.225 1.00 11.32 H new ATOM 0 HG23 ILE A 50 -0.954 10.489 1.023 1.00 11.32 H new ATOM 0 HD11 ILE A 50 -2.246 6.277 2.460 1.00 13.04 H new ATOM 0 HD12 ILE A 50 -3.758 6.921 1.777 1.00 13.04 H new ATOM 0 HD13 ILE A 50 -2.288 6.851 0.776 1.00 13.04 H new ATOM 820 N LYS A 51 -5.831 10.601 2.017 1.00 34.42 N ATOM 821 CA LYS A 51 -7.193 10.262 2.411 1.00 50.55 C ATOM 822 C LYS A 51 -7.793 9.231 1.460 1.00 40.34 C ATOM 823 O LYS A 51 -7.504 9.233 0.263 1.00 35.50 O ATOM 824 CB LYS A 51 -8.069 11.517 2.436 1.00 44.20 C ATOM 825 CG LYS A 51 -8.185 12.149 3.813 1.00 43.31 C ATOM 826 CD LYS A 51 -8.974 13.447 3.765 1.00 23.12 C ATOM 827 CE LYS A 51 -10.422 13.235 4.179 1.00 3.12 C ATOM 828 NZ LYS A 51 -11.114 14.524 4.456 1.00 32.43 N ATOM 0 H LYS A 51 -5.763 11.128 1.146 1.00 34.42 H new ATOM 0 HA LYS A 51 -7.157 9.832 3.412 1.00 50.55 H new ATOM 0 HB2 LYS A 51 -7.659 12.250 1.742 1.00 44.20 H new ATOM 0 HB3 LYS A 51 -9.066 11.262 2.077 1.00 44.20 H new ATOM 0 HG2 LYS A 51 -8.671 11.451 4.495 1.00 43.31 H new ATOM 0 HG3 LYS A 51 -7.189 12.342 4.211 1.00 43.31 H new ATOM 0 HD2 LYS A 51 -8.510 14.181 4.424 1.00 23.12 H new ATOM 0 HD3 LYS A 51 -8.939 13.858 2.756 1.00 23.12 H new ATOM 0 HE2 LYS A 51 -10.951 12.701 3.390 1.00 3.12 H new ATOM 0 HE3 LYS A 51 -10.457 12.606 5.068 1.00 3.12 H new ATOM 0 HZ1 LYS A 51 -12.098 14.337 4.735 1.00 32.43 H new ATOM 0 HZ2 LYS A 51 -10.625 15.022 5.227 1.00 32.43 H new ATOM 0 HZ3 LYS A 51 -11.103 15.115 3.600 1.00 32.43 H new ATOM 842 N LYS A 52 -8.632 8.352 2.000 1.00 52.52 N ATOM 843 CA LYS A 52 -9.275 7.318 1.198 1.00 70.53 C ATOM 844 C LYS A 52 -9.768 7.884 -0.130 1.00 5.44 C ATOM 845 O LYS A 52 -10.048 9.077 -0.240 1.00 4.31 O ATOM 846 CB LYS A 52 -10.446 6.703 1.968 1.00 62.40 C ATOM 847 CG LYS A 52 -11.121 7.671 2.925 1.00 63.25 C ATOM 848 CD LYS A 52 -11.617 8.912 2.205 1.00 0.01 C ATOM 849 CE LYS A 52 -12.617 8.562 1.114 1.00 74.31 C ATOM 850 NZ LYS A 52 -13.064 9.767 0.363 1.00 53.01 N ATOM 0 H LYS A 52 -8.882 8.336 2.989 1.00 52.52 H new ATOM 0 HA LYS A 52 -8.536 6.544 0.990 1.00 70.53 H new ATOM 0 HB2 LYS A 52 -11.185 6.335 1.256 1.00 62.40 H new ATOM 0 HB3 LYS A 52 -10.087 5.841 2.530 1.00 62.40 H new ATOM 0 HG2 LYS A 52 -11.958 7.175 3.415 1.00 63.25 H new ATOM 0 HG3 LYS A 52 -10.419 7.959 3.707 1.00 63.25 H new ATOM 0 HD2 LYS A 52 -12.082 9.589 2.922 1.00 0.01 H new ATOM 0 HD3 LYS A 52 -10.771 9.443 1.768 1.00 0.01 H new ATOM 0 HE2 LYS A 52 -12.166 7.850 0.423 1.00 74.31 H new ATOM 0 HE3 LYS A 52 -13.482 8.070 1.559 1.00 74.31 H new ATOM 0 HZ1 LYS A 52 -13.745 9.486 -0.371 1.00 53.01 H new ATOM 0 HZ2 LYS A 52 -13.518 10.436 1.018 1.00 53.01 H new ATOM 0 HZ3 LYS A 52 -12.242 10.223 -0.083 1.00 53.01 H new ATOM 864 N ASN A 53 -9.872 7.020 -1.134 1.00 44.10 N ATOM 865 CA ASN A 53 -10.331 7.435 -2.454 1.00 55.03 C ATOM 866 C ASN A 53 -9.558 8.657 -2.940 1.00 12.41 C ATOM 867 O ASN A 53 -10.148 9.684 -3.276 1.00 74.22 O ATOM 868 CB ASN A 53 -11.830 7.746 -2.421 1.00 43.11 C ATOM 869 CG ASN A 53 -12.443 7.775 -3.808 1.00 54.42 C ATOM 870 OD1 ASN A 53 -11.765 8.058 -4.794 1.00 40.54 O ATOM 871 ND2 ASN A 53 -13.738 7.485 -3.888 1.00 44.34 N ATOM 0 H ASN A 53 -9.645 6.029 -1.059 1.00 44.10 H new ATOM 0 HA ASN A 53 -10.151 6.614 -3.148 1.00 55.03 H new ATOM 0 HB2 ASN A 53 -12.341 6.997 -1.816 1.00 43.11 H new ATOM 0 HB3 ASN A 53 -11.988 8.709 -1.936 1.00 43.11 H new ATOM 0 HD21 ASN A 53 -14.207 7.492 -4.794 1.00 44.34 H new ATOM 0 HD22 ASN A 53 -14.262 7.256 -3.044 1.00 44.34 H new ATOM 878 N GLU A 54 -8.234 8.538 -2.977 1.00 41.12 N ATOM 879 CA GLU A 54 -7.382 9.633 -3.421 1.00 5.13 C ATOM 880 C GLU A 54 -6.404 9.160 -4.493 1.00 13.30 C ATOM 881 O GLU A 54 -5.732 8.142 -4.330 1.00 54.23 O ATOM 882 CB GLU A 54 -6.611 10.222 -2.237 1.00 50.44 C ATOM 883 CG GLU A 54 -5.610 11.293 -2.635 1.00 64.12 C ATOM 884 CD GLU A 54 -5.873 12.621 -1.950 1.00 45.51 C ATOM 885 OE1 GLU A 54 -7.042 13.059 -1.935 1.00 24.53 O ATOM 886 OE2 GLU A 54 -4.909 13.221 -1.430 1.00 51.32 O ATOM 0 H GLU A 54 -7.730 7.694 -2.705 1.00 41.12 H new ATOM 0 HA GLU A 54 -8.021 10.405 -3.850 1.00 5.13 H new ATOM 0 HB2 GLU A 54 -7.321 10.646 -1.527 1.00 50.44 H new ATOM 0 HB3 GLU A 54 -6.085 9.419 -1.721 1.00 50.44 H new ATOM 0 HG2 GLU A 54 -4.604 10.954 -2.388 1.00 64.12 H new ATOM 0 HG3 GLU A 54 -5.643 11.433 -3.715 1.00 64.12 H new ATOM 893 N ARG A 55 -6.329 9.908 -5.589 1.00 52.22 N ATOM 894 CA ARG A 55 -5.437 9.565 -6.690 1.00 63.12 C ATOM 895 C ARG A 55 -4.266 10.541 -6.765 1.00 34.50 C ATOM 896 O ARG A 55 -4.414 11.726 -6.467 1.00 2.43 O ATOM 897 CB ARG A 55 -6.201 9.565 -8.014 1.00 54.40 C ATOM 898 CG ARG A 55 -7.216 10.691 -8.132 1.00 42.32 C ATOM 899 CD ARG A 55 -7.923 10.665 -9.479 1.00 21.35 C ATOM 900 NE ARG A 55 -7.166 11.374 -10.508 1.00 21.32 N ATOM 901 CZ ARG A 55 -7.686 11.762 -11.666 1.00 10.13 C ATOM 902 NH1 ARG A 55 -8.959 11.513 -11.940 1.00 53.53 N ATOM 903 NH2 ARG A 55 -6.934 12.402 -12.552 1.00 3.44 N ATOM 0 H ARG A 55 -6.876 10.756 -5.738 1.00 52.22 H new ATOM 0 HA ARG A 55 -5.043 8.565 -6.507 1.00 63.12 H new ATOM 0 HB2 ARG A 55 -5.488 9.642 -8.835 1.00 54.40 H new ATOM 0 HB3 ARG A 55 -6.715 8.611 -8.127 1.00 54.40 H new ATOM 0 HG2 ARG A 55 -7.951 10.605 -7.332 1.00 42.32 H new ATOM 0 HG3 ARG A 55 -6.714 11.650 -8.002 1.00 42.32 H new ATOM 0 HD2 ARG A 55 -8.075 9.631 -9.789 1.00 21.35 H new ATOM 0 HD3 ARG A 55 -8.910 11.117 -9.379 1.00 21.35 H new ATOM 0 HE ARG A 55 -6.184 11.582 -10.327 1.00 21.32 H new ATOM 0 HH11 ARG A 55 -9.540 11.023 -11.260 1.00 53.53 H new ATOM 0 HH12 ARG A 55 -9.357 11.812 -12.830 1.00 53.53 H new ATOM 0 HH21 ARG A 55 -5.955 12.597 -12.344 1.00 3.44 H new ATOM 0 HH22 ARG A 55 -7.335 12.699 -13.441 1.00 3.44 H new ATOM 917 N LEU A 56 -3.106 10.035 -7.164 1.00 71.25 N ATOM 918 CA LEU A 56 -1.909 10.863 -7.279 1.00 61.02 C ATOM 919 C LEU A 56 -1.024 10.384 -8.425 1.00 12.41 C ATOM 920 O LEU A 56 -1.297 9.358 -9.047 1.00 72.30 O ATOM 921 CB LEU A 56 -1.121 10.838 -5.968 1.00 33.04 C ATOM 922 CG LEU A 56 -1.507 11.897 -4.934 1.00 63.11 C ATOM 923 CD1 LEU A 56 -2.619 11.384 -4.033 1.00 14.23 C ATOM 924 CD2 LEU A 56 -0.294 12.302 -4.108 1.00 2.11 C ATOM 0 H LEU A 56 -2.967 9.056 -7.414 1.00 71.25 H new ATOM 0 HA LEU A 56 -2.223 11.885 -7.489 1.00 61.02 H new ATOM 0 HB2 LEU A 56 -1.241 9.854 -5.514 1.00 33.04 H new ATOM 0 HB3 LEU A 56 -0.063 10.955 -6.201 1.00 33.04 H new ATOM 0 HG LEU A 56 -1.873 12.777 -5.463 1.00 63.11 H new ATOM 0 HD11 LEU A 56 -2.880 12.151 -3.304 1.00 14.23 H new ATOM 0 HD12 LEU A 56 -3.495 11.144 -4.636 1.00 14.23 H new ATOM 0 HD13 LEU A 56 -2.281 10.488 -3.512 1.00 14.23 H new ATOM 0 HD21 LEU A 56 -0.587 13.056 -3.377 1.00 2.11 H new ATOM 0 HD22 LEU A 56 0.101 11.428 -3.589 1.00 2.11 H new ATOM 0 HD23 LEU A 56 0.473 12.712 -4.765 1.00 2.11 H new ATOM 936 N TRP A 57 0.037 11.135 -8.699 1.00 4.21 N ATOM 937 CA TRP A 57 0.964 10.787 -9.770 1.00 54.02 C ATOM 938 C TRP A 57 2.096 9.910 -9.247 1.00 1.24 C ATOM 939 O TRP A 57 2.909 10.349 -8.434 1.00 62.10 O ATOM 940 CB TRP A 57 1.536 12.054 -10.408 1.00 70.15 C ATOM 941 CG TRP A 57 0.605 12.698 -11.390 1.00 32.44 C ATOM 942 CD1 TRP A 57 0.768 12.778 -12.744 1.00 23.30 C ATOM 943 CD2 TRP A 57 -0.633 13.353 -11.095 1.00 21.24 C ATOM 944 NE1 TRP A 57 -0.292 13.443 -13.308 1.00 34.33 N ATOM 945 CE2 TRP A 57 -1.166 13.806 -12.317 1.00 0.34 C ATOM 946 CE3 TRP A 57 -1.342 13.602 -9.916 1.00 60.14 C ATOM 947 CZ2 TRP A 57 -2.375 14.492 -12.391 1.00 51.20 C ATOM 948 CZ3 TRP A 57 -2.543 14.283 -9.993 1.00 25.41 C ATOM 949 CH2 TRP A 57 -3.049 14.722 -11.222 1.00 53.45 C ATOM 0 H TRP A 57 0.277 11.989 -8.195 1.00 4.21 H new ATOM 0 HA TRP A 57 0.414 10.225 -10.525 1.00 54.02 H new ATOM 0 HB2 TRP A 57 1.776 12.771 -9.623 1.00 70.15 H new ATOM 0 HB3 TRP A 57 2.471 11.808 -10.912 1.00 70.15 H new ATOM 0 HD1 TRP A 57 1.608 12.377 -13.291 1.00 23.30 H new ATOM 0 HE1 TRP A 57 -0.410 13.636 -14.303 1.00 34.33 H new ATOM 0 HE3 TRP A 57 -0.959 13.269 -8.963 1.00 60.14 H new ATOM 0 HZ2 TRP A 57 -2.768 14.831 -13.338 1.00 51.20 H new ATOM 0 HZ3 TRP A 57 -3.100 14.480 -9.089 1.00 25.41 H new ATOM 0 HH2 TRP A 57 -3.989 15.252 -11.248 1.00 53.45 H new ATOM 960 N LEU A 58 2.142 8.669 -9.718 1.00 35.01 N ATOM 961 CA LEU A 58 3.175 7.729 -9.297 1.00 62.15 C ATOM 962 C LEU A 58 4.549 8.176 -9.786 1.00 13.12 C ATOM 963 O LEU A 58 4.780 8.308 -10.988 1.00 45.11 O ATOM 964 CB LEU A 58 2.865 6.328 -9.827 1.00 50.04 C ATOM 965 CG LEU A 58 2.584 5.258 -8.771 1.00 13.11 C ATOM 966 CD1 LEU A 58 2.432 3.892 -9.423 1.00 20.54 C ATOM 967 CD2 LEU A 58 3.692 5.234 -7.728 1.00 53.23 C ATOM 0 H LEU A 58 1.476 8.290 -10.392 1.00 35.01 H new ATOM 0 HA LEU A 58 3.186 7.704 -8.207 1.00 62.15 H new ATOM 0 HB2 LEU A 58 2.000 6.394 -10.487 1.00 50.04 H new ATOM 0 HB3 LEU A 58 3.706 5.997 -10.436 1.00 50.04 H new ATOM 0 HG LEU A 58 1.648 5.505 -8.271 1.00 13.11 H new ATOM 0 HD11 LEU A 58 2.233 3.143 -8.656 1.00 20.54 H new ATOM 0 HD12 LEU A 58 1.603 3.917 -10.131 1.00 20.54 H new ATOM 0 HD13 LEU A 58 3.351 3.636 -9.950 1.00 20.54 H new ATOM 0 HD21 LEU A 58 3.475 4.467 -6.985 1.00 53.23 H new ATOM 0 HD22 LEU A 58 4.643 5.012 -8.212 1.00 53.23 H new ATOM 0 HD23 LEU A 58 3.752 6.206 -7.239 1.00 53.23 H new ATOM 979 N LEU A 59 5.459 8.406 -8.846 1.00 21.33 N ATOM 980 CA LEU A 59 6.812 8.836 -9.179 1.00 40.21 C ATOM 981 C LEU A 59 7.762 7.644 -9.248 1.00 11.44 C ATOM 982 O LEU A 59 8.187 7.239 -10.330 1.00 23.14 O ATOM 983 CB LEU A 59 7.317 9.846 -8.147 1.00 24.04 C ATOM 984 CG LEU A 59 6.484 11.117 -7.988 1.00 32.33 C ATOM 985 CD1 LEU A 59 7.182 12.101 -7.061 1.00 14.10 C ATOM 986 CD2 LEU A 59 6.219 11.755 -9.345 1.00 23.12 C ATOM 0 H LEU A 59 5.284 8.302 -7.847 1.00 21.33 H new ATOM 0 HA LEU A 59 6.784 9.311 -10.159 1.00 40.21 H new ATOM 0 HB2 LEU A 59 7.373 9.349 -7.179 1.00 24.04 H new ATOM 0 HB3 LEU A 59 8.333 10.133 -8.417 1.00 24.04 H new ATOM 0 HG LEU A 59 5.526 10.847 -7.543 1.00 32.33 H new ATOM 0 HD11 LEU A 59 6.574 13.000 -6.960 1.00 14.10 H new ATOM 0 HD12 LEU A 59 7.319 11.643 -6.081 1.00 14.10 H new ATOM 0 HD13 LEU A 59 8.154 12.366 -7.477 1.00 14.10 H new ATOM 0 HD21 LEU A 59 5.624 12.659 -9.212 1.00 23.12 H new ATOM 0 HD22 LEU A 59 7.167 12.011 -9.818 1.00 23.12 H new ATOM 0 HD23 LEU A 59 5.675 11.053 -9.977 1.00 23.12 H new ATOM 998 N ASP A 60 8.086 7.086 -8.087 1.00 13.30 N ATOM 999 CA ASP A 60 8.983 5.938 -8.017 1.00 62.41 C ATOM 1000 C ASP A 60 8.442 4.886 -7.051 1.00 41.45 C ATOM 1001 O ASP A 60 8.391 5.108 -5.842 1.00 52.20 O ATOM 1002 CB ASP A 60 10.380 6.380 -7.578 1.00 13.20 C ATOM 1003 CG ASP A 60 11.367 5.230 -7.544 1.00 63.44 C ATOM 1004 OD1 ASP A 60 12.234 5.165 -8.441 1.00 12.30 O ATOM 1005 OD2 ASP A 60 11.274 4.395 -6.620 1.00 2.51 O ATOM 0 H ASP A 60 7.742 7.409 -7.183 1.00 13.30 H new ATOM 0 HA ASP A 60 9.047 5.496 -9.011 1.00 62.41 H new ATOM 0 HB2 ASP A 60 10.745 7.149 -8.259 1.00 13.20 H new ATOM 0 HB3 ASP A 60 10.320 6.833 -6.588 1.00 13.20 H new ATOM 1011 N ASP A 61 8.041 3.742 -7.596 1.00 33.23 N ATOM 1012 CA ASP A 61 7.505 2.656 -6.784 1.00 11.14 C ATOM 1013 C ASP A 61 8.339 1.390 -6.950 1.00 32.44 C ATOM 1014 O ASP A 61 7.964 0.481 -7.689 1.00 21.03 O ATOM 1015 CB ASP A 61 6.050 2.377 -7.165 1.00 71.12 C ATOM 1016 CG ASP A 61 5.786 2.591 -8.641 1.00 41.55 C ATOM 1017 OD1 ASP A 61 5.607 1.586 -9.364 1.00 22.41 O ATOM 1018 OD2 ASP A 61 5.760 3.760 -9.077 1.00 14.11 O ATOM 0 H ASP A 61 8.077 3.543 -8.596 1.00 33.23 H new ATOM 0 HA ASP A 61 7.547 2.962 -5.739 1.00 11.14 H new ATOM 0 HB2 ASP A 61 5.799 1.350 -6.899 1.00 71.12 H new ATOM 0 HB3 ASP A 61 5.395 3.026 -6.584 1.00 71.12 H new ATOM 1024 N SER A 62 9.473 1.340 -6.259 1.00 20.25 N ATOM 1025 CA SER A 62 10.363 0.189 -6.332 1.00 60.45 C ATOM 1026 C SER A 62 10.357 -0.590 -5.019 1.00 15.25 C ATOM 1027 O SER A 62 10.194 -1.810 -5.008 1.00 71.44 O ATOM 1028 CB SER A 62 11.788 0.637 -6.665 1.00 10.10 C ATOM 1029 OG SER A 62 12.030 0.573 -8.060 1.00 34.52 O ATOM 0 H SER A 62 9.797 2.085 -5.642 1.00 20.25 H new ATOM 0 HA SER A 62 10.001 -0.466 -7.124 1.00 60.45 H new ATOM 0 HB2 SER A 62 11.944 1.656 -6.312 1.00 10.10 H new ATOM 0 HB3 SER A 62 12.504 0.005 -6.139 1.00 10.10 H new ATOM 0 HG SER A 62 12.946 0.866 -8.247 1.00 34.52 H new ATOM 1035 N LYS A 63 10.537 0.126 -3.915 1.00 12.23 N ATOM 1036 CA LYS A 63 10.551 -0.493 -2.596 1.00 71.24 C ATOM 1037 C LYS A 63 9.141 -0.580 -2.019 1.00 73.24 C ATOM 1038 O LYS A 63 8.179 -0.116 -2.633 1.00 34.43 O ATOM 1039 CB LYS A 63 11.453 0.299 -1.646 1.00 72.21 C ATOM 1040 CG LYS A 63 12.900 -0.159 -1.657 1.00 72.21 C ATOM 1041 CD LYS A 63 13.778 0.740 -0.804 1.00 30.23 C ATOM 1042 CE LYS A 63 14.914 -0.037 -0.160 1.00 45.45 C ATOM 1043 NZ LYS A 63 15.415 0.630 1.074 1.00 70.51 N ATOM 0 H LYS A 63 10.675 1.137 -3.908 1.00 12.23 H new ATOM 0 HA LYS A 63 10.944 -1.504 -2.703 1.00 71.24 H new ATOM 0 HB2 LYS A 63 11.413 1.354 -1.916 1.00 72.21 H new ATOM 0 HB3 LYS A 63 11.062 0.214 -0.632 1.00 72.21 H new ATOM 0 HG2 LYS A 63 12.961 -1.183 -1.289 1.00 72.21 H new ATOM 0 HG3 LYS A 63 13.272 -0.166 -2.681 1.00 72.21 H new ATOM 0 HD2 LYS A 63 14.187 1.541 -1.420 1.00 30.23 H new ATOM 0 HD3 LYS A 63 13.173 1.211 -0.029 1.00 30.23 H new ATOM 0 HE2 LYS A 63 14.573 -1.043 0.084 1.00 45.45 H new ATOM 0 HE3 LYS A 63 15.732 -0.142 -0.873 1.00 45.45 H new ATOM 0 HZ1 LYS A 63 16.189 0.068 1.482 1.00 70.51 H new ATOM 0 HZ2 LYS A 63 15.764 1.581 0.837 1.00 70.51 H new ATOM 0 HZ3 LYS A 63 14.642 0.708 1.765 1.00 70.51 H new ATOM 1057 N THR A 64 9.025 -1.177 -0.838 1.00 72.35 N ATOM 1058 CA THR A 64 7.734 -1.325 -0.179 1.00 12.23 C ATOM 1059 C THR A 64 6.957 -0.011 -0.189 1.00 43.44 C ATOM 1060 O THR A 64 5.740 -0.002 -0.366 1.00 20.41 O ATOM 1061 CB THR A 64 7.896 -1.800 1.276 1.00 33.23 C ATOM 1062 OG1 THR A 64 6.700 -1.531 2.016 1.00 33.33 O ATOM 1063 CG2 THR A 64 9.075 -1.110 1.943 1.00 63.11 C ATOM 0 H THR A 64 9.811 -1.567 -0.317 1.00 72.35 H new ATOM 0 HA THR A 64 7.179 -2.077 -0.739 1.00 12.23 H new ATOM 0 HB THR A 64 8.082 -2.874 1.264 1.00 33.23 H new ATOM 0 HG1 THR A 64 5.925 -1.869 1.520 1.00 33.33 H new ATOM 0 HG21 THR A 64 9.169 -1.462 2.970 1.00 63.11 H new ATOM 0 HG22 THR A 64 9.989 -1.340 1.395 1.00 63.11 H new ATOM 0 HG23 THR A 64 8.914 -0.032 1.942 1.00 63.11 H new ATOM 1071 N TRP A 65 7.671 1.092 -0.001 1.00 75.50 N ATOM 1072 CA TRP A 65 7.049 2.411 0.012 1.00 50.32 C ATOM 1073 C TRP A 65 7.133 3.064 -1.365 1.00 31.34 C ATOM 1074 O TRP A 65 8.165 2.995 -2.032 1.00 21.21 O ATOM 1075 CB TRP A 65 7.719 3.305 1.056 1.00 12.22 C ATOM 1076 CG TRP A 65 7.220 3.066 2.449 1.00 65.43 C ATOM 1077 CD1 TRP A 65 7.376 1.932 3.193 1.00 62.31 C ATOM 1078 CD2 TRP A 65 6.482 3.983 3.264 1.00 11.32 C ATOM 1079 NE1 TRP A 65 6.780 2.087 4.421 1.00 1.14 N ATOM 1080 CE2 TRP A 65 6.225 3.338 4.490 1.00 51.34 C ATOM 1081 CE3 TRP A 65 6.014 5.288 3.077 1.00 65.34 C ATOM 1082 CZ2 TRP A 65 5.521 3.954 5.521 1.00 14.52 C ATOM 1083 CZ3 TRP A 65 5.316 5.897 4.103 1.00 42.13 C ATOM 1084 CH2 TRP A 65 5.075 5.231 5.312 1.00 12.01 C ATOM 0 H TRP A 65 8.681 1.100 0.145 1.00 75.50 H new ATOM 0 HA TRP A 65 5.998 2.288 0.273 1.00 50.32 H new ATOM 0 HB2 TRP A 65 8.796 3.138 1.030 1.00 12.22 H new ATOM 0 HB3 TRP A 65 7.551 4.349 0.792 1.00 12.22 H new ATOM 0 HD1 TRP A 65 7.893 1.043 2.864 1.00 62.31 H new ATOM 0 HE1 TRP A 65 6.755 1.385 5.161 1.00 1.14 H new ATOM 0 HE3 TRP A 65 6.195 5.810 2.149 1.00 65.34 H new ATOM 0 HZ2 TRP A 65 5.333 3.442 6.453 1.00 14.52 H new ATOM 0 HZ3 TRP A 65 4.950 6.904 3.970 1.00 42.13 H new ATOM 0 HH2 TRP A 65 4.527 5.735 6.094 1.00 12.01 H new ATOM 1095 N TRP A 66 6.044 3.700 -1.780 1.00 22.24 N ATOM 1096 CA TRP A 66 5.996 4.366 -3.077 1.00 35.13 C ATOM 1097 C TRP A 66 5.905 5.879 -2.908 1.00 52.13 C ATOM 1098 O TRP A 66 5.417 6.371 -1.890 1.00 5.32 O ATOM 1099 CB TRP A 66 4.804 3.860 -3.891 1.00 72.34 C ATOM 1100 CG TRP A 66 4.830 2.379 -4.122 1.00 50.54 C ATOM 1101 CD1 TRP A 66 5.879 1.532 -3.899 1.00 31.43 C ATOM 1102 CD2 TRP A 66 3.760 1.571 -4.625 1.00 51.15 C ATOM 1103 NE1 TRP A 66 5.524 0.247 -4.231 1.00 11.54 N ATOM 1104 CE2 TRP A 66 4.229 0.243 -4.679 1.00 11.34 C ATOM 1105 CE3 TRP A 66 2.450 1.839 -5.032 1.00 4.41 C ATOM 1106 CZ2 TRP A 66 3.435 -0.809 -5.125 1.00 5.02 C ATOM 1107 CZ3 TRP A 66 1.663 0.793 -5.475 1.00 3.31 C ATOM 1108 CH2 TRP A 66 2.157 -0.518 -5.519 1.00 2.13 C ATOM 0 H TRP A 66 5.183 3.769 -1.238 1.00 22.24 H new ATOM 0 HA TRP A 66 6.917 4.132 -3.611 1.00 35.13 H new ATOM 0 HB2 TRP A 66 3.881 4.124 -3.374 1.00 72.34 H new ATOM 0 HB3 TRP A 66 4.787 4.371 -4.854 1.00 72.34 H new ATOM 0 HD1 TRP A 66 6.845 1.829 -3.518 1.00 31.43 H new ATOM 0 HE1 TRP A 66 6.127 -0.572 -4.156 1.00 11.54 H new ATOM 0 HE3 TRP A 66 2.060 2.846 -5.001 1.00 4.41 H new ATOM 0 HZ2 TRP A 66 3.814 -1.820 -5.159 1.00 5.02 H new ATOM 0 HZ3 TRP A 66 0.650 0.989 -5.793 1.00 3.31 H new ATOM 0 HH2 TRP A 66 1.517 -1.314 -5.871 1.00 2.13 H new ATOM 1119 N ARG A 67 6.377 6.612 -3.913 1.00 22.41 N ATOM 1120 CA ARG A 67 6.349 8.069 -3.873 1.00 54.20 C ATOM 1121 C ARG A 67 5.461 8.625 -4.983 1.00 22.44 C ATOM 1122 O ARG A 67 5.626 8.284 -6.154 1.00 11.33 O ATOM 1123 CB ARG A 67 7.765 8.630 -4.008 1.00 4.55 C ATOM 1124 CG ARG A 67 7.805 10.132 -4.244 1.00 42.44 C ATOM 1125 CD ARG A 67 9.010 10.770 -3.572 1.00 61.40 C ATOM 1126 NE ARG A 67 8.623 11.829 -2.644 1.00 52.45 N ATOM 1127 CZ ARG A 67 9.495 12.586 -1.989 1.00 33.25 C ATOM 1128 NH1 ARG A 67 10.797 12.403 -2.157 1.00 33.03 N ATOM 1129 NH2 ARG A 67 9.063 13.532 -1.162 1.00 41.01 N ATOM 0 H ARG A 67 6.783 6.221 -4.763 1.00 22.41 H new ATOM 0 HA ARG A 67 5.935 8.375 -2.912 1.00 54.20 H new ATOM 0 HB2 ARG A 67 8.327 8.398 -3.103 1.00 4.55 H new ATOM 0 HB3 ARG A 67 8.269 8.127 -4.834 1.00 4.55 H new ATOM 0 HG2 ARG A 67 7.836 10.332 -5.315 1.00 42.44 H new ATOM 0 HG3 ARG A 67 6.891 10.586 -3.861 1.00 42.44 H new ATOM 0 HD2 ARG A 67 9.573 10.006 -3.036 1.00 61.40 H new ATOM 0 HD3 ARG A 67 9.674 11.180 -4.333 1.00 61.40 H new ATOM 0 HE ARG A 67 7.629 11.996 -2.491 1.00 52.45 H new ATOM 0 HH11 ARG A 67 11.132 11.678 -2.792 1.00 33.03 H new ATOM 0 HH12 ARG A 67 11.463 12.987 -1.652 1.00 33.03 H new ATOM 0 HH21 ARG A 67 8.062 13.676 -1.031 1.00 41.01 H new ATOM 0 HH22 ARG A 67 9.733 14.114 -0.658 1.00 41.01 H new ATOM 1143 N VAL A 68 4.519 9.483 -4.604 1.00 53.11 N ATOM 1144 CA VAL A 68 3.605 10.088 -5.567 1.00 72.20 C ATOM 1145 C VAL A 68 3.479 11.589 -5.335 1.00 53.43 C ATOM 1146 O VAL A 68 4.020 12.127 -4.370 1.00 44.13 O ATOM 1147 CB VAL A 68 2.207 9.448 -5.491 1.00 52.31 C ATOM 1148 CG1 VAL A 68 2.282 7.962 -5.809 1.00 75.05 C ATOM 1149 CG2 VAL A 68 1.589 9.676 -4.119 1.00 40.21 C ATOM 0 H VAL A 68 4.369 9.775 -3.638 1.00 53.11 H new ATOM 0 HA VAL A 68 4.024 9.910 -6.558 1.00 72.20 H new ATOM 0 HB VAL A 68 1.569 9.924 -6.235 1.00 52.31 H new ATOM 0 HG11 VAL A 68 1.284 7.527 -5.750 1.00 75.05 H new ATOM 0 HG12 VAL A 68 2.679 7.825 -6.815 1.00 75.05 H new ATOM 0 HG13 VAL A 68 2.936 7.469 -5.090 1.00 75.05 H new ATOM 0 HG21 VAL A 68 0.601 9.217 -4.084 1.00 40.21 H new ATOM 0 HG22 VAL A 68 2.225 9.229 -3.355 1.00 40.21 H new ATOM 0 HG23 VAL A 68 1.498 10.746 -3.934 1.00 40.21 H new ATOM 1159 N ARG A 69 2.759 12.261 -6.229 1.00 72.24 N ATOM 1160 CA ARG A 69 2.560 13.702 -6.122 1.00 63.21 C ATOM 1161 C ARG A 69 1.086 14.060 -6.278 1.00 34.12 C ATOM 1162 O ARG A 69 0.376 13.471 -7.092 1.00 2.01 O ATOM 1163 CB ARG A 69 3.388 14.432 -7.181 1.00 41.03 C ATOM 1164 CG ARG A 69 3.316 15.946 -7.074 1.00 52.14 C ATOM 1165 CD ARG A 69 3.636 16.613 -8.401 1.00 52.42 C ATOM 1166 NE ARG A 69 2.465 16.692 -9.271 1.00 41.53 N ATOM 1167 CZ ARG A 69 2.467 17.295 -10.454 1.00 54.31 C ATOM 1168 NH1 ARG A 69 3.573 17.869 -10.908 1.00 2.15 N ATOM 1169 NH2 ARG A 69 1.361 17.325 -11.187 1.00 40.45 N ATOM 0 H ARG A 69 2.304 11.831 -7.034 1.00 72.24 H new ATOM 0 HA ARG A 69 2.890 14.017 -5.132 1.00 63.21 H new ATOM 0 HB2 ARG A 69 4.429 14.119 -7.095 1.00 41.03 H new ATOM 0 HB3 ARG A 69 3.045 14.130 -8.170 1.00 41.03 H new ATOM 0 HG2 ARG A 69 2.319 16.242 -6.748 1.00 52.14 H new ATOM 0 HG3 ARG A 69 4.016 16.292 -6.313 1.00 52.14 H new ATOM 0 HD2 ARG A 69 4.020 17.617 -8.219 1.00 52.42 H new ATOM 0 HD3 ARG A 69 4.425 16.056 -8.906 1.00 52.42 H new ATOM 0 HE ARG A 69 1.598 16.260 -8.952 1.00 41.53 H new ATOM 0 HH11 ARG A 69 4.425 17.848 -10.348 1.00 2.15 H new ATOM 0 HH12 ARG A 69 3.571 18.331 -11.817 1.00 2.15 H new ATOM 0 HH21 ARG A 69 0.508 16.885 -10.842 1.00 40.45 H new ATOM 0 HH22 ARG A 69 1.364 17.789 -12.096 1.00 40.45 H new ATOM 1183 N ASN A 70 0.633 15.032 -5.491 1.00 73.01 N ATOM 1184 CA ASN A 70 -0.759 15.469 -5.542 1.00 71.22 C ATOM 1185 C ASN A 70 -0.927 16.642 -6.502 1.00 62.21 C ATOM 1186 O ASN A 70 0.023 17.050 -7.170 1.00 13.41 O ATOM 1187 CB ASN A 70 -1.241 15.865 -4.146 1.00 4.04 C ATOM 1188 CG ASN A 70 -0.207 16.672 -3.384 1.00 42.34 C ATOM 1189 OD1 ASN A 70 0.659 17.313 -3.981 1.00 41.10 O ATOM 1190 ND2 ASN A 70 -0.294 16.646 -2.059 1.00 63.14 N ATOM 0 H ASN A 70 1.208 15.531 -4.812 1.00 73.01 H new ATOM 0 HA ASN A 70 -1.362 14.637 -5.906 1.00 71.22 H new ATOM 0 HB2 ASN A 70 -2.159 16.446 -4.233 1.00 4.04 H new ATOM 0 HB3 ASN A 70 -1.485 14.966 -3.580 1.00 4.04 H new ATOM 0 HD21 ASN A 70 0.373 17.171 -1.494 1.00 63.14 H new ATOM 0 HD22 ASN A 70 -1.028 16.101 -1.607 1.00 63.14 H new ATOM 1197 N ALA A 71 -2.139 17.179 -6.566 1.00 33.15 N ATOM 1198 CA ALA A 71 -2.431 18.307 -7.442 1.00 3.33 C ATOM 1199 C ALA A 71 -1.805 19.591 -6.910 1.00 51.20 C ATOM 1200 O ALA A 71 -1.801 20.619 -7.589 1.00 75.31 O ATOM 1201 CB ALA A 71 -3.935 18.477 -7.601 1.00 62.11 C ATOM 0 H ALA A 71 -2.937 16.851 -6.021 1.00 33.15 H new ATOM 0 HA ALA A 71 -1.995 18.099 -8.419 1.00 3.33 H new ATOM 0 HB1 ALA A 71 -4.138 19.323 -8.258 1.00 62.11 H new ATOM 0 HB2 ALA A 71 -4.360 17.571 -8.034 1.00 62.11 H new ATOM 0 HB3 ALA A 71 -4.386 18.659 -6.625 1.00 62.11 H new ATOM 1207 N ALA A 72 -1.275 19.526 -5.693 1.00 75.14 N ATOM 1208 CA ALA A 72 -0.645 20.684 -5.072 1.00 64.52 C ATOM 1209 C ALA A 72 0.840 20.747 -5.408 1.00 65.31 C ATOM 1210 O ALA A 72 1.591 21.518 -4.811 1.00 15.32 O ATOM 1211 CB ALA A 72 -0.845 20.648 -3.564 1.00 60.22 C ATOM 0 H ALA A 72 -1.270 18.684 -5.118 1.00 75.14 H new ATOM 0 HA ALA A 72 -1.119 21.581 -5.470 1.00 64.52 H new ATOM 0 HB1 ALA A 72 -0.369 21.519 -3.113 1.00 60.22 H new ATOM 0 HB2 ALA A 72 -1.911 20.659 -3.338 1.00 60.22 H new ATOM 0 HB3 ALA A 72 -0.398 19.740 -3.159 1.00 60.22 H new ATOM 1217 N ASN A 73 1.260 19.929 -6.367 1.00 61.35 N ATOM 1218 CA ASN A 73 2.658 19.890 -6.782 1.00 44.51 C ATOM 1219 C ASN A 73 3.553 19.419 -5.639 1.00 34.53 C ATOM 1220 O ASN A 73 4.772 19.590 -5.679 1.00 14.53 O ATOM 1221 CB ASN A 73 3.109 21.273 -7.259 1.00 14.41 C ATOM 1222 CG ASN A 73 1.990 22.043 -7.936 1.00 42.50 C ATOM 1223 OD1 ASN A 73 1.551 23.083 -7.443 1.00 53.10 O ATOM 1224 ND2 ASN A 73 1.525 21.534 -9.070 1.00 13.42 N ATOM 0 H ASN A 73 0.652 19.284 -6.872 1.00 61.35 H new ATOM 0 HA ASN A 73 2.746 19.181 -7.605 1.00 44.51 H new ATOM 0 HB2 ASN A 73 3.478 21.846 -6.408 1.00 14.41 H new ATOM 0 HB3 ASN A 73 3.942 21.161 -7.953 1.00 14.41 H new ATOM 0 HD21 ASN A 73 0.773 22.007 -9.571 1.00 13.42 H new ATOM 0 HD22 ASN A 73 1.920 20.670 -9.441 1.00 13.42 H new ATOM 1231 N ARG A 74 2.939 18.823 -4.623 1.00 21.42 N ATOM 1232 CA ARG A 74 3.678 18.328 -3.468 1.00 73.34 C ATOM 1233 C ARG A 74 4.012 16.847 -3.631 1.00 14.25 C ATOM 1234 O ARG A 74 3.229 16.081 -4.193 1.00 0.23 O ATOM 1235 CB ARG A 74 2.869 18.541 -2.186 1.00 53.51 C ATOM 1236 CG ARG A 74 3.703 18.457 -0.919 1.00 52.11 C ATOM 1237 CD ARG A 74 3.994 19.837 -0.350 1.00 40.31 C ATOM 1238 NE ARG A 74 5.139 20.467 -1.001 1.00 3.34 N ATOM 1239 CZ ARG A 74 5.814 21.484 -0.477 1.00 44.42 C ATOM 1240 NH1 ARG A 74 5.462 21.981 0.700 1.00 33.25 N ATOM 1241 NH2 ARG A 74 6.847 22.004 -1.131 1.00 20.33 N ATOM 0 H ARG A 74 1.931 18.671 -4.576 1.00 21.42 H new ATOM 0 HA ARG A 74 4.610 18.889 -3.398 1.00 73.34 H new ATOM 0 HB2 ARG A 74 2.386 19.517 -2.229 1.00 53.51 H new ATOM 0 HB3 ARG A 74 2.076 17.795 -2.139 1.00 53.51 H new ATOM 0 HG2 ARG A 74 3.177 17.859 -0.175 1.00 52.11 H new ATOM 0 HG3 ARG A 74 4.641 17.945 -1.133 1.00 52.11 H new ATOM 0 HD2 ARG A 74 3.115 20.471 -0.469 1.00 40.31 H new ATOM 0 HD3 ARG A 74 4.185 19.755 0.720 1.00 40.31 H new ATOM 0 HE ARG A 74 5.437 20.107 -1.908 1.00 3.34 H new ATOM 0 HH11 ARG A 74 4.671 21.583 1.206 1.00 33.25 H new ATOM 0 HH12 ARG A 74 5.982 22.762 1.100 1.00 33.25 H new ATOM 0 HH21 ARG A 74 7.122 21.622 -2.036 1.00 20.33 H new ATOM 0 HH22 ARG A 74 7.365 22.785 -0.728 1.00 20.33 H new ATOM 1255 N THR A 75 5.180 16.451 -3.134 1.00 53.15 N ATOM 1256 CA THR A 75 5.618 15.064 -3.226 1.00 22.43 C ATOM 1257 C THR A 75 5.927 14.493 -1.847 1.00 72.31 C ATOM 1258 O THR A 75 6.561 15.147 -1.020 1.00 42.35 O ATOM 1259 CB THR A 75 6.867 14.928 -4.117 1.00 42.24 C ATOM 1260 OG1 THR A 75 7.742 16.042 -3.908 1.00 72.35 O ATOM 1261 CG2 THR A 75 6.479 14.850 -5.586 1.00 35.55 C ATOM 0 H THR A 75 5.839 17.071 -2.664 1.00 53.15 H new ATOM 0 HA THR A 75 4.798 14.502 -3.674 1.00 22.43 H new ATOM 0 HB THR A 75 7.381 14.006 -3.844 1.00 42.24 H new ATOM 0 HG1 THR A 75 8.534 15.947 -4.477 1.00 72.35 H new ATOM 0 HG21 THR A 75 7.378 14.754 -6.195 1.00 35.55 H new ATOM 0 HG22 THR A 75 5.837 13.984 -5.747 1.00 35.55 H new ATOM 0 HG23 THR A 75 5.943 15.756 -5.869 1.00 35.55 H new ATOM 1269 N GLY A 76 5.474 13.267 -1.603 1.00 12.21 N ATOM 1270 CA GLY A 76 5.713 12.627 -0.323 1.00 12.14 C ATOM 1271 C GLY A 76 5.809 11.119 -0.436 1.00 70.21 C ATOM 1272 O GLY A 76 5.751 10.567 -1.536 1.00 10.05 O ATOM 0 H GLY A 76 4.945 12.705 -2.270 1.00 12.21 H new ATOM 0 HA2 GLY A 76 6.636 13.015 0.107 1.00 12.14 H new ATOM 0 HA3 GLY A 76 4.908 12.886 0.365 1.00 12.14 H new ATOM 1276 N TYR A 77 5.958 10.451 0.701 1.00 71.23 N ATOM 1277 CA TYR A 77 6.065 8.996 0.725 1.00 42.24 C ATOM 1278 C TYR A 77 4.842 8.370 1.385 1.00 40.23 C ATOM 1279 O TYR A 77 4.225 8.965 2.268 1.00 55.42 O ATOM 1280 CB TYR A 77 7.335 8.571 1.468 1.00 53.13 C ATOM 1281 CG TYR A 77 8.587 8.661 0.625 1.00 41.23 C ATOM 1282 CD1 TYR A 77 8.886 7.685 -0.317 1.00 63.33 C ATOM 1283 CD2 TYR A 77 9.471 9.722 0.771 1.00 2.31 C ATOM 1284 CE1 TYR A 77 10.031 7.762 -1.088 1.00 33.42 C ATOM 1285 CE2 TYR A 77 10.617 9.809 0.003 1.00 25.25 C ATOM 1286 CZ TYR A 77 10.892 8.826 -0.924 1.00 24.25 C ATOM 1287 OH TYR A 77 12.032 8.908 -1.690 1.00 11.11 O ATOM 0 H TYR A 77 6.008 10.893 1.619 1.00 71.23 H new ATOM 0 HA TYR A 77 6.118 8.643 -0.305 1.00 42.24 H new ATOM 0 HB2 TYR A 77 7.456 9.198 2.352 1.00 53.13 H new ATOM 0 HB3 TYR A 77 7.215 7.546 1.818 1.00 53.13 H new ATOM 0 HD1 TYR A 77 8.212 6.851 -0.449 1.00 63.33 H new ATOM 0 HD2 TYR A 77 9.259 10.493 1.497 1.00 2.31 H new ATOM 0 HE1 TYR A 77 10.250 6.993 -1.814 1.00 33.42 H new ATOM 0 HE2 TYR A 77 11.293 10.642 0.128 1.00 25.25 H new ATOM 0 HH TYR A 77 12.529 9.718 -1.451 1.00 11.11 H new ATOM 1297 N VAL A 78 4.498 7.162 0.950 1.00 62.34 N ATOM 1298 CA VAL A 78 3.349 6.450 1.499 1.00 33.30 C ATOM 1299 C VAL A 78 3.517 4.942 1.356 1.00 51.24 C ATOM 1300 O VAL A 78 4.136 4.447 0.412 1.00 63.14 O ATOM 1301 CB VAL A 78 2.041 6.879 0.808 1.00 62.04 C ATOM 1302 CG1 VAL A 78 1.650 8.286 1.231 1.00 4.43 C ATOM 1303 CG2 VAL A 78 2.183 6.787 -0.703 1.00 43.33 C ATOM 0 H VAL A 78 4.998 6.656 0.219 1.00 62.34 H new ATOM 0 HA VAL A 78 3.293 6.707 2.557 1.00 33.30 H new ATOM 0 HB VAL A 78 1.247 6.200 1.117 1.00 62.04 H new ATOM 0 HG11 VAL A 78 0.724 8.572 0.733 1.00 4.43 H new ATOM 0 HG12 VAL A 78 1.505 8.314 2.311 1.00 4.43 H new ATOM 0 HG13 VAL A 78 2.441 8.983 0.953 1.00 4.43 H new ATOM 0 HG21 VAL A 78 1.250 7.094 -1.175 1.00 43.33 H new ATOM 0 HG22 VAL A 78 2.989 7.442 -1.033 1.00 43.33 H new ATOM 0 HG23 VAL A 78 2.412 5.759 -0.985 1.00 43.33 H new ATOM 1313 N PRO A 79 2.953 4.190 2.312 1.00 25.44 N ATOM 1314 CA PRO A 79 3.024 2.725 2.314 1.00 44.32 C ATOM 1315 C PRO A 79 2.194 2.103 1.198 1.00 41.54 C ATOM 1316 O PRO A 79 0.993 2.352 1.091 1.00 71.14 O ATOM 1317 CB PRO A 79 2.454 2.344 3.682 1.00 62.13 C ATOM 1318 CG PRO A 79 1.565 3.480 4.052 1.00 51.42 C ATOM 1319 CD PRO A 79 2.199 4.710 3.466 1.00 3.33 C ATOM 0 HA PRO A 79 4.039 2.366 2.146 1.00 44.32 H new ATOM 0 HB2 PRO A 79 1.899 1.407 3.633 1.00 62.13 H new ATOM 0 HB3 PRO A 79 3.247 2.206 4.417 1.00 62.13 H new ATOM 0 HG2 PRO A 79 0.560 3.333 3.657 1.00 51.42 H new ATOM 0 HG3 PRO A 79 1.473 3.567 5.135 1.00 51.42 H new ATOM 0 HD2 PRO A 79 1.450 5.441 3.160 1.00 3.33 H new ATOM 0 HD3 PRO A 79 2.854 5.205 4.183 1.00 3.33 H new ATOM 1327 N SER A 80 2.840 1.291 0.366 1.00 2.12 N ATOM 1328 CA SER A 80 2.161 0.636 -0.745 1.00 74.43 C ATOM 1329 C SER A 80 1.029 -0.255 -0.240 1.00 13.02 C ATOM 1330 O SER A 80 0.142 -0.640 -1.001 1.00 61.31 O ATOM 1331 CB SER A 80 3.155 -0.196 -1.558 1.00 75.45 C ATOM 1332 OG SER A 80 3.580 -1.335 -0.833 1.00 63.34 O ATOM 0 H SER A 80 3.833 1.072 0.441 1.00 2.12 H new ATOM 0 HA SER A 80 1.735 1.409 -1.385 1.00 74.43 H new ATOM 0 HB2 SER A 80 2.692 -0.509 -2.494 1.00 75.45 H new ATOM 0 HB3 SER A 80 4.019 0.416 -1.819 1.00 75.45 H new ATOM 0 HG SER A 80 4.460 -1.162 -0.438 1.00 63.34 H new ATOM 1338 N ASN A 81 1.068 -0.578 1.049 1.00 12.14 N ATOM 1339 CA ASN A 81 0.046 -1.423 1.656 1.00 64.23 C ATOM 1340 C ASN A 81 -1.272 -0.668 1.794 1.00 51.25 C ATOM 1341 O ASN A 81 -2.348 -1.266 1.757 1.00 2.03 O ATOM 1342 CB ASN A 81 0.512 -1.914 3.028 1.00 60.53 C ATOM 1343 CG ASN A 81 1.481 -3.076 2.928 1.00 4.10 C ATOM 1344 OD1 ASN A 81 2.042 -3.341 1.865 1.00 51.43 O ATOM 1345 ND2 ASN A 81 1.682 -3.775 4.038 1.00 62.52 N ATOM 0 H ASN A 81 1.796 -0.268 1.693 1.00 12.14 H new ATOM 0 HA ASN A 81 -0.115 -2.282 1.005 1.00 64.23 H new ATOM 0 HB2 ASN A 81 0.989 -1.092 3.562 1.00 60.53 H new ATOM 0 HB3 ASN A 81 -0.354 -2.217 3.616 1.00 60.53 H new ATOM 0 HD21 ASN A 81 2.323 -4.568 4.032 1.00 62.52 H new ATOM 0 HD22 ASN A 81 1.195 -3.519 4.897 1.00 62.52 H new ATOM 1352 N TYR A 82 -1.181 0.648 1.951 1.00 70.33 N ATOM 1353 CA TYR A 82 -2.366 1.484 2.097 1.00 15.50 C ATOM 1354 C TYR A 82 -2.761 2.106 0.761 1.00 13.45 C ATOM 1355 O TYR A 82 -3.696 2.902 0.685 1.00 14.14 O ATOM 1356 CB TYR A 82 -2.118 2.583 3.130 1.00 41.11 C ATOM 1357 CG TYR A 82 -1.918 2.059 4.535 1.00 40.43 C ATOM 1358 CD1 TYR A 82 -0.765 1.365 4.880 1.00 20.43 C ATOM 1359 CD2 TYR A 82 -2.881 2.260 5.515 1.00 70.21 C ATOM 1360 CE1 TYR A 82 -0.580 0.884 6.162 1.00 64.03 C ATOM 1361 CE2 TYR A 82 -2.704 1.783 6.800 1.00 13.32 C ATOM 1362 CZ TYR A 82 -1.551 1.095 7.119 1.00 2.43 C ATOM 1363 OH TYR A 82 -1.370 0.619 8.397 1.00 13.10 O ATOM 0 H TYR A 82 -0.298 1.159 1.980 1.00 70.33 H new ATOM 0 HA TYR A 82 -3.185 0.852 2.440 1.00 15.50 H new ATOM 0 HB2 TYR A 82 -1.238 3.155 2.836 1.00 41.11 H new ATOM 0 HB3 TYR A 82 -2.962 3.272 3.125 1.00 41.11 H new ATOM 0 HD1 TYR A 82 -0.001 1.199 4.135 1.00 20.43 H new ATOM 0 HD2 TYR A 82 -3.784 2.799 5.269 1.00 70.21 H new ATOM 0 HE1 TYR A 82 0.321 0.345 6.414 1.00 64.03 H new ATOM 0 HE2 TYR A 82 -3.463 1.948 7.550 1.00 13.32 H new ATOM 0 HH TYR A 82 -1.778 -0.269 8.476 1.00 13.10 H new ATOM 1373 N VAL A 83 -2.040 1.736 -0.293 1.00 10.14 N ATOM 1374 CA VAL A 83 -2.314 2.255 -1.628 1.00 23.33 C ATOM 1375 C VAL A 83 -2.410 1.127 -2.648 1.00 30.13 C ATOM 1376 O VAL A 83 -1.900 0.030 -2.424 1.00 71.50 O ATOM 1377 CB VAL A 83 -1.226 3.249 -2.077 1.00 43.15 C ATOM 1378 CG1 VAL A 83 -0.110 2.521 -2.813 1.00 22.13 C ATOM 1379 CG2 VAL A 83 -1.829 4.339 -2.951 1.00 63.33 C ATOM 0 H VAL A 83 -1.261 1.079 -0.248 1.00 10.14 H new ATOM 0 HA VAL A 83 -3.271 2.774 -1.576 1.00 23.33 H new ATOM 0 HB VAL A 83 -0.799 3.720 -1.191 1.00 43.15 H new ATOM 0 HG11 VAL A 83 0.650 3.238 -3.123 1.00 22.13 H new ATOM 0 HG12 VAL A 83 0.339 1.780 -2.152 1.00 22.13 H new ATOM 0 HG13 VAL A 83 -0.519 2.023 -3.692 1.00 22.13 H new ATOM 0 HG21 VAL A 83 -1.047 5.033 -3.259 1.00 63.33 H new ATOM 0 HG22 VAL A 83 -2.283 3.888 -3.834 1.00 63.33 H new ATOM 0 HG23 VAL A 83 -2.590 4.878 -2.387 1.00 63.33 H new ATOM 1389 N GLU A 84 -3.068 1.405 -3.768 1.00 44.45 N ATOM 1390 CA GLU A 84 -3.230 0.412 -4.824 1.00 70.43 C ATOM 1391 C GLU A 84 -3.575 1.080 -6.153 1.00 74.30 C ATOM 1392 O GLU A 84 -4.607 1.739 -6.278 1.00 10.33 O ATOM 1393 CB GLU A 84 -4.322 -0.592 -4.447 1.00 32.01 C ATOM 1394 CG GLU A 84 -4.673 -1.559 -5.564 1.00 64.04 C ATOM 1395 CD GLU A 84 -6.108 -1.416 -6.032 1.00 35.45 C ATOM 1396 OE1 GLU A 84 -6.991 -2.077 -5.445 1.00 4.41 O ATOM 1397 OE2 GLU A 84 -6.348 -0.645 -6.984 1.00 74.34 O ATOM 0 H GLU A 84 -3.497 2.308 -3.968 1.00 44.45 H new ATOM 0 HA GLU A 84 -2.283 -0.116 -4.938 1.00 70.43 H new ATOM 0 HB2 GLU A 84 -3.996 -1.160 -3.576 1.00 32.01 H new ATOM 0 HB3 GLU A 84 -5.219 -0.047 -4.155 1.00 32.01 H new ATOM 0 HG2 GLU A 84 -4.002 -1.393 -6.407 1.00 64.04 H new ATOM 0 HG3 GLU A 84 -4.507 -2.580 -5.221 1.00 64.04 H new ATOM 1404 N ARG A 85 -2.704 0.903 -7.141 1.00 10.04 N ATOM 1405 CA ARG A 85 -2.914 1.490 -8.458 1.00 34.23 C ATOM 1406 C ARG A 85 -4.081 0.816 -9.174 1.00 70.12 C ATOM 1407 O ARG A 85 -4.487 -0.291 -8.817 1.00 42.24 O ATOM 1408 CB ARG A 85 -1.645 1.368 -9.304 1.00 20.32 C ATOM 1409 CG ARG A 85 -1.164 -0.064 -9.475 1.00 52.21 C ATOM 1410 CD ARG A 85 0.347 -0.126 -9.647 1.00 74.22 C ATOM 1411 NE ARG A 85 0.951 -1.157 -8.807 1.00 1.34 N ATOM 1412 CZ ARG A 85 2.148 -1.684 -9.037 1.00 55.45 C ATOM 1413 NH1 ARG A 85 2.865 -1.281 -10.077 1.00 70.01 N ATOM 1414 NH2 ARG A 85 2.630 -2.618 -8.228 1.00 40.00 N ATOM 0 H ARG A 85 -1.846 0.358 -7.054 1.00 10.04 H new ATOM 0 HA ARG A 85 -3.152 2.545 -8.323 1.00 34.23 H new ATOM 0 HB2 ARG A 85 -1.831 1.800 -10.287 1.00 20.32 H new ATOM 0 HB3 ARG A 85 -0.852 1.956 -8.842 1.00 20.32 H new ATOM 0 HG2 ARG A 85 -1.457 -0.654 -8.607 1.00 52.21 H new ATOM 0 HG3 ARG A 85 -1.649 -0.511 -10.343 1.00 52.21 H new ATOM 0 HD2 ARG A 85 0.585 -0.324 -10.692 1.00 74.22 H new ATOM 0 HD3 ARG A 85 0.780 0.843 -9.400 1.00 74.22 H new ATOM 0 HE ARG A 85 0.425 -1.490 -8.000 1.00 1.34 H new ATOM 0 HH11 ARG A 85 2.497 -0.564 -10.703 1.00 70.01 H new ATOM 0 HH12 ARG A 85 3.784 -1.688 -10.251 1.00 70.01 H new ATOM 0 HH21 ARG A 85 2.081 -2.932 -7.428 1.00 40.00 H new ATOM 0 HH22 ARG A 85 3.550 -3.022 -8.406 1.00 40.00 H new ATOM 1428 N LYS A 86 -4.618 1.490 -10.185 1.00 34.53 N ATOM 1429 CA LYS A 86 -5.738 0.957 -10.951 1.00 71.52 C ATOM 1430 C LYS A 86 -5.435 -0.452 -11.449 1.00 20.31 C ATOM 1431 O LYS A 86 -6.105 -0.960 -12.349 1.00 63.02 O ATOM 1432 CB LYS A 86 -6.052 1.871 -12.137 1.00 53.20 C ATOM 1433 CG LYS A 86 -4.932 1.950 -13.159 1.00 22.24 C ATOM 1434 CD LYS A 86 -5.254 2.937 -14.268 1.00 30.43 C ATOM 1435 CE LYS A 86 -6.229 2.346 -15.273 1.00 42.41 C ATOM 1436 NZ LYS A 86 -5.901 2.752 -16.668 1.00 14.33 N ATOM 0 H LYS A 86 -4.295 2.407 -10.493 1.00 34.53 H new ATOM 0 HA LYS A 86 -6.606 0.913 -10.294 1.00 71.52 H new ATOM 0 HB2 LYS A 86 -6.957 1.515 -12.629 1.00 53.20 H new ATOM 0 HB3 LYS A 86 -6.265 2.873 -11.766 1.00 53.20 H new ATOM 0 HG2 LYS A 86 -4.008 2.247 -12.664 1.00 22.24 H new ATOM 0 HG3 LYS A 86 -4.760 0.963 -13.588 1.00 22.24 H new ATOM 0 HD2 LYS A 86 -5.679 3.844 -13.838 1.00 30.43 H new ATOM 0 HD3 LYS A 86 -4.335 3.226 -14.778 1.00 30.43 H new ATOM 0 HE2 LYS A 86 -6.214 1.259 -15.198 1.00 42.41 H new ATOM 0 HE3 LYS A 86 -7.241 2.668 -15.029 1.00 42.41 H new ATOM 0 HZ1 LYS A 86 -6.589 2.329 -17.323 1.00 14.33 H new ATOM 0 HZ2 LYS A 86 -5.940 3.788 -16.746 1.00 14.33 H new ATOM 0 HZ3 LYS A 86 -4.945 2.423 -16.910 1.00 14.33 H new