USER MOD reduce.3.24.130724 H: found=0, std=0, add=798, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 798 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 70 ASN : amide:sc= -0.322 K(o=-1.3,f=-10!) USER MOD Set 1.2: A 93 HIS : no HD1:sc= -1.02 K(o=-1.3,f=0.81) USER MOD Set 2.1: A 26 ASN : amide:sc= -0.414 K(o=-0.15,f=-2.3!) USER MOD Set 2.2: A 84 ASN : amide:sc= 0.268 K(o=-0.15,f=-6.8!) USER MOD Single : A 1 GLY N :NH3+ -127:sc= 0.0638 (180deg=0) USER MOD Single : A 10 THR OG1 : rot 114:sc= 0.207 USER MOD Single : A 14 ASN : amide:sc= -0.969 K(o=-0.97,f=-0.014) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ -168:sc= -0.0208 (180deg=-0.154) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot -65:sc= -0.323 USER MOD Single : A 34 LYS NZ :NH3+ -178:sc= 1.12 (180deg=1.11) USER MOD Single : A 42 ASN : amide:sc= 0 X(o=0,f=-0.024) USER MOD Single : A 46 ASN : amide:sc= -0.0577 K(o=-0.058,f=-6.3!) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= -0.533 X(o=-0.53,f=-0.53) USER MOD Single : A 51 HIS : no HD1:sc= -1.76! K(o=-1.8!,f=-0.028) USER MOD Single : A 56 ASN : amide:sc= -0.271 K(o=-0.27,f=-3.5!) USER MOD Single : A 59 THR OG1 : rot 180:sc= -0.256 USER MOD Single : A 66 THR OG1 : rot -49:sc= 1.25 USER MOD Single : A 67 ASN : amide:sc= -0.574 K(o=-0.57,f=-6.7!) USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 180:sc=-0.00728 USER MOD Single : A 79 GLN : amide:sc= -0.472 X(o=-0.47,f=-0.42) USER MOD Single : A 94 HIS : no HD1:sc= -1.02 K(o=-1,f=0.1) USER MOD Single : A 95 HIS : no HD1:sc=-0.00368 X(o=-0.0037,f=0) USER MOD Single : A 96 HIS : no HD1:sc= -0.0226 X(o=-0.023,f=-0.023) USER MOD Single : A 97 HIS : no HD1:sc= -0.796 K(o=-0.8,f=-1.6) USER MOD Single : A 98 HIS : no HE2:sc= 0.19 K(o=0.19,f=-5.6!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -61.862 8.019 -15.314 1.00 72.50 N ATOM 2 CA GLY A 1 -60.631 7.208 -15.529 1.00 22.14 C ATOM 3 C GLY A 1 -59.562 7.462 -14.472 1.00 2.10 C ATOM 4 O GLY A 1 -59.766 8.259 -13.559 1.00 54.52 O ATOM 0 H1 GLY A 1 -62.692 7.393 -15.302 1.00 72.50 H new ATOM 0 H2 GLY A 1 -61.793 8.520 -14.405 1.00 72.50 H new ATOM 0 H3 GLY A 1 -61.961 8.711 -16.084 1.00 72.50 H new ATOM 0 HA2 GLY A 1 -60.894 6.150 -15.526 1.00 22.14 H new ATOM 0 HA3 GLY A 1 -60.222 7.432 -16.514 1.00 22.14 H new ATOM 10 N ASP A 2 -58.418 6.788 -14.594 1.00 52.12 N ATOM 11 CA ASP A 2 -57.315 6.961 -13.646 1.00 71.30 C ATOM 12 C ASP A 2 -56.284 7.967 -14.183 1.00 55.11 C ATOM 13 O ASP A 2 -55.746 7.793 -15.277 1.00 71.42 O ATOM 14 CB ASP A 2 -56.641 5.613 -13.383 1.00 62.21 C ATOM 15 CG ASP A 2 -55.725 5.652 -12.174 1.00 31.15 C ATOM 16 OD1 ASP A 2 -54.561 6.085 -12.308 1.00 51.20 O ATOM 17 OD2 ASP A 2 -56.170 5.259 -11.076 1.00 20.33 O ATOM 0 H ASP A 2 -58.230 6.117 -15.339 1.00 52.12 H new ATOM 0 HA ASP A 2 -57.720 7.351 -12.713 1.00 71.30 H new ATOM 0 HB2 ASP A 2 -57.405 4.851 -13.232 1.00 62.21 H new ATOM 0 HB3 ASP A 2 -56.067 5.319 -14.262 1.00 62.21 H new ATOM 22 N ARG A 3 -56.016 9.020 -13.413 1.00 2.22 N ATOM 23 CA ARG A 3 -55.061 10.061 -13.823 1.00 32.21 C ATOM 24 C ARG A 3 -53.770 10.028 -12.985 1.00 43.12 C ATOM 25 O ARG A 3 -52.929 10.921 -13.102 1.00 44.43 O ATOM 26 CB ARG A 3 -55.705 11.452 -13.697 1.00 14.51 C ATOM 27 CG ARG A 3 -57.017 11.621 -14.462 1.00 33.12 C ATOM 28 CD ARG A 3 -56.858 11.332 -15.954 1.00 61.05 C ATOM 29 NE ARG A 3 -55.755 12.084 -16.552 1.00 34.34 N ATOM 30 CZ ARG A 3 -55.751 12.542 -17.775 1.00 52.32 C ATOM 31 NH1 ARG A 3 -56.813 12.477 -18.512 1.00 60.52 N ATOM 32 NH2 ARG A 3 -54.688 13.107 -18.245 1.00 15.42 N ATOM 0 H ARG A 3 -56.444 9.180 -12.501 1.00 2.22 H new ATOM 0 HA ARG A 3 -54.798 9.860 -14.861 1.00 32.21 H new ATOM 0 HB2 ARG A 3 -55.886 11.659 -12.642 1.00 14.51 H new ATOM 0 HB3 ARG A 3 -54.995 12.199 -14.051 1.00 14.51 H new ATOM 0 HG2 ARG A 3 -57.769 10.952 -14.042 1.00 33.12 H new ATOM 0 HG3 ARG A 3 -57.385 12.638 -14.328 1.00 33.12 H new ATOM 0 HD2 ARG A 3 -56.688 10.265 -16.099 1.00 61.05 H new ATOM 0 HD3 ARG A 3 -57.785 11.580 -16.470 1.00 61.05 H new ATOM 0 HE ARG A 3 -54.933 12.263 -15.975 1.00 34.34 H new ATOM 0 HH11 ARG A 3 -57.668 12.064 -18.139 1.00 60.52 H new ATOM 0 HH12 ARG A 3 -56.795 12.839 -19.465 1.00 60.52 H new ATOM 0 HH21 ARG A 3 -53.856 13.194 -17.661 1.00 15.42 H new ATOM 0 HH22 ARG A 3 -54.681 13.466 -19.200 1.00 15.42 H new ATOM 46 N ARG A 4 -53.606 8.998 -12.155 1.00 71.43 N ATOM 47 CA ARG A 4 -52.469 8.926 -11.222 1.00 12.42 C ATOM 48 C ARG A 4 -51.129 8.669 -11.938 1.00 51.02 C ATOM 49 O ARG A 4 -51.086 8.108 -13.036 1.00 54.11 O ATOM 50 CB ARG A 4 -52.727 7.854 -10.154 1.00 41.01 C ATOM 51 CG ARG A 4 -53.834 8.234 -9.170 1.00 60.10 C ATOM 52 CD ARG A 4 -54.117 7.124 -8.161 1.00 53.43 C ATOM 53 NE ARG A 4 -54.683 5.939 -8.798 1.00 22.42 N ATOM 54 CZ ARG A 4 -54.987 4.838 -8.168 1.00 15.55 C ATOM 55 NH1 ARG A 4 -54.785 4.721 -6.897 1.00 63.14 N ATOM 56 NH2 ARG A 4 -55.506 3.856 -8.822 1.00 31.42 N ATOM 0 H ARG A 4 -54.241 8.201 -12.105 1.00 71.43 H new ATOM 0 HA ARG A 4 -52.385 9.901 -10.741 1.00 12.42 H new ATOM 0 HB2 ARG A 4 -52.993 6.918 -10.645 1.00 41.01 H new ATOM 0 HB3 ARG A 4 -51.805 7.673 -9.601 1.00 41.01 H new ATOM 0 HG2 ARG A 4 -53.549 9.142 -8.638 1.00 60.10 H new ATOM 0 HG3 ARG A 4 -54.746 8.461 -9.722 1.00 60.10 H new ATOM 0 HD2 ARG A 4 -53.193 6.855 -7.649 1.00 53.43 H new ATOM 0 HD3 ARG A 4 -54.806 7.492 -7.401 1.00 53.43 H new ATOM 0 HE ARG A 4 -54.852 5.974 -9.803 1.00 22.42 H new ATOM 0 HH11 ARG A 4 -54.382 5.497 -6.371 1.00 63.14 H new ATOM 0 HH12 ARG A 4 -55.028 3.853 -6.420 1.00 63.14 H new ATOM 0 HH21 ARG A 4 -55.676 3.944 -9.824 1.00 31.42 H new ATOM 0 HH22 ARG A 4 -55.747 2.991 -8.338 1.00 31.42 H new ATOM 70 N VAL A 5 -50.039 9.085 -11.292 1.00 34.22 N ATOM 71 CA VAL A 5 -48.690 9.013 -11.878 1.00 63.21 C ATOM 72 C VAL A 5 -48.062 7.613 -11.726 1.00 62.32 C ATOM 73 O VAL A 5 -48.415 6.858 -10.819 1.00 60.32 O ATOM 74 CB VAL A 5 -47.757 10.073 -11.224 1.00 51.40 C ATOM 75 CG1 VAL A 5 -46.380 10.096 -11.891 1.00 12.15 C ATOM 76 CG2 VAL A 5 -48.405 11.457 -11.269 1.00 72.12 C ATOM 0 H VAL A 5 -50.060 9.480 -10.352 1.00 34.22 H new ATOM 0 HA VAL A 5 -48.795 9.220 -12.943 1.00 63.21 H new ATOM 0 HB VAL A 5 -47.612 9.791 -10.181 1.00 51.40 H new ATOM 0 HG11 VAL A 5 -45.755 10.848 -11.409 1.00 12.15 H new ATOM 0 HG12 VAL A 5 -45.912 9.117 -11.792 1.00 12.15 H new ATOM 0 HG13 VAL A 5 -46.491 10.340 -12.947 1.00 12.15 H new ATOM 0 HG21 VAL A 5 -47.739 12.186 -10.807 1.00 72.12 H new ATOM 0 HG22 VAL A 5 -48.589 11.739 -12.306 1.00 72.12 H new ATOM 0 HG23 VAL A 5 -49.350 11.434 -10.726 1.00 72.12 H new ATOM 86 N ARG A 6 -47.136 7.277 -12.630 1.00 2.01 N ATOM 87 CA ARG A 6 -46.427 5.987 -12.595 1.00 44.45 C ATOM 88 C ARG A 6 -45.534 5.851 -11.344 1.00 22.45 C ATOM 89 O ARG A 6 -44.928 6.823 -10.884 1.00 12.53 O ATOM 90 CB ARG A 6 -45.562 5.828 -13.857 1.00 21.24 C ATOM 91 CG ARG A 6 -44.449 6.870 -13.972 1.00 21.34 C ATOM 92 CD ARG A 6 -43.542 6.610 -15.170 1.00 64.12 C ATOM 93 NE ARG A 6 -44.256 6.719 -16.439 1.00 21.42 N ATOM 94 CZ ARG A 6 -43.820 6.241 -17.571 1.00 12.51 C ATOM 95 NH1 ARG A 6 -42.692 5.606 -17.633 1.00 11.44 N ATOM 96 NH2 ARG A 6 -44.516 6.403 -18.646 1.00 40.50 N ATOM 0 H ARG A 6 -46.856 7.883 -13.401 1.00 2.01 H new ATOM 0 HA ARG A 6 -47.183 5.203 -12.557 1.00 44.45 H new ATOM 0 HB2 ARG A 6 -45.118 4.833 -13.860 1.00 21.24 H new ATOM 0 HB3 ARG A 6 -46.202 5.894 -14.737 1.00 21.24 H new ATOM 0 HG2 ARG A 6 -44.890 7.863 -14.060 1.00 21.34 H new ATOM 0 HG3 ARG A 6 -43.853 6.866 -13.059 1.00 21.34 H new ATOM 0 HD2 ARG A 6 -42.716 7.321 -15.158 1.00 64.12 H new ATOM 0 HD3 ARG A 6 -43.107 5.614 -15.085 1.00 64.12 H new ATOM 0 HE ARG A 6 -45.155 7.201 -16.440 1.00 21.42 H new ATOM 0 HH11 ARG A 6 -42.133 5.475 -16.790 1.00 11.44 H new ATOM 0 HH12 ARG A 6 -42.363 5.237 -18.525 1.00 11.44 H new ATOM 0 HH21 ARG A 6 -45.404 6.904 -18.608 1.00 40.50 H new ATOM 0 HH22 ARG A 6 -44.178 6.030 -19.533 1.00 40.50 H new ATOM 110 N LEU A 7 -45.443 4.634 -10.810 1.00 75.13 N ATOM 111 CA LEU A 7 -44.630 4.358 -9.615 1.00 45.44 C ATOM 112 C LEU A 7 -43.423 3.457 -9.939 1.00 72.25 C ATOM 113 O LEU A 7 -42.641 3.109 -9.055 1.00 34.31 O ATOM 114 CB LEU A 7 -45.505 3.695 -8.539 1.00 12.41 C ATOM 115 CG LEU A 7 -46.763 4.485 -8.129 1.00 43.50 C ATOM 116 CD1 LEU A 7 -47.554 3.726 -7.064 1.00 1.31 C ATOM 117 CD2 LEU A 7 -46.391 5.886 -7.638 1.00 34.54 C ATOM 0 H LEU A 7 -45.923 3.816 -11.185 1.00 75.13 H new ATOM 0 HA LEU A 7 -44.242 5.307 -9.246 1.00 45.44 H new ATOM 0 HB2 LEU A 7 -45.815 2.714 -8.900 1.00 12.41 H new ATOM 0 HB3 LEU A 7 -44.895 3.529 -7.651 1.00 12.41 H new ATOM 0 HG LEU A 7 -47.397 4.595 -9.009 1.00 43.50 H new ATOM 0 HD11 LEU A 7 -48.438 4.301 -6.789 1.00 1.31 H new ATOM 0 HD12 LEU A 7 -47.860 2.757 -7.459 1.00 1.31 H new ATOM 0 HD13 LEU A 7 -46.929 3.578 -6.183 1.00 1.31 H new ATOM 0 HD21 LEU A 7 -47.295 6.424 -7.354 1.00 34.54 H new ATOM 0 HD22 LEU A 7 -45.731 5.806 -6.774 1.00 34.54 H new ATOM 0 HD23 LEU A 7 -45.881 6.427 -8.435 1.00 34.54 H new ATOM 129 N ILE A 8 -43.275 3.085 -11.210 1.00 14.30 N ATOM 130 CA ILE A 8 -42.192 2.186 -11.639 1.00 53.43 C ATOM 131 C ILE A 8 -40.869 2.939 -11.895 1.00 75.43 C ATOM 132 O ILE A 8 -40.816 3.894 -12.675 1.00 24.14 O ATOM 133 CB ILE A 8 -42.600 1.397 -12.917 1.00 10.42 C ATOM 134 CG1 ILE A 8 -41.475 0.446 -13.372 1.00 3.13 C ATOM 135 CG2 ILE A 8 -42.986 2.347 -14.047 1.00 42.44 C ATOM 136 CD1 ILE A 8 -41.144 -0.635 -12.366 1.00 25.15 C ATOM 0 H ILE A 8 -43.889 3.390 -11.965 1.00 14.30 H new ATOM 0 HA ILE A 8 -42.026 1.488 -10.819 1.00 53.43 H new ATOM 0 HB ILE A 8 -43.471 0.793 -12.664 1.00 10.42 H new ATOM 0 HG12 ILE A 8 -41.766 -0.023 -14.312 1.00 3.13 H new ATOM 0 HG13 ILE A 8 -40.577 1.030 -13.572 1.00 3.13 H new ATOM 0 HG21 ILE A 8 -43.267 1.770 -14.928 1.00 42.44 H new ATOM 0 HG22 ILE A 8 -43.829 2.963 -13.733 1.00 42.44 H new ATOM 0 HG23 ILE A 8 -42.138 2.988 -14.289 1.00 42.44 H new ATOM 0 HD11 ILE A 8 -40.344 -1.264 -12.757 1.00 25.15 H new ATOM 0 HD12 ILE A 8 -40.821 -0.176 -11.432 1.00 25.15 H new ATOM 0 HD13 ILE A 8 -42.029 -1.245 -12.183 1.00 25.15 H new ATOM 148 N ARG A 9 -39.800 2.502 -11.226 1.00 31.32 N ATOM 149 CA ARG A 9 -38.456 3.061 -11.442 1.00 74.50 C ATOM 150 C ARG A 9 -37.518 2.028 -12.096 1.00 74.32 C ATOM 151 O ARG A 9 -37.864 0.850 -12.227 1.00 14.32 O ATOM 152 CB ARG A 9 -37.847 3.599 -10.126 1.00 23.35 C ATOM 153 CG ARG A 9 -38.131 2.753 -8.883 1.00 22.15 C ATOM 154 CD ARG A 9 -39.506 3.063 -8.293 1.00 51.34 C ATOM 155 NE ARG A 9 -39.799 2.262 -7.107 1.00 12.44 N ATOM 156 CZ ARG A 9 -40.495 2.689 -6.088 1.00 50.10 C ATOM 157 NH1 ARG A 9 -40.895 3.918 -6.028 1.00 31.22 N ATOM 158 NH2 ARG A 9 -40.760 1.889 -5.112 1.00 65.24 N ATOM 0 H ARG A 9 -39.835 1.760 -10.527 1.00 31.32 H new ATOM 0 HA ARG A 9 -38.563 3.901 -12.128 1.00 74.50 H new ATOM 0 HB2 ARG A 9 -36.767 3.681 -10.251 1.00 23.35 H new ATOM 0 HB3 ARG A 9 -38.226 4.607 -9.954 1.00 23.35 H new ATOM 0 HG2 ARG A 9 -38.076 1.696 -9.142 1.00 22.15 H new ATOM 0 HG3 ARG A 9 -37.362 2.938 -8.133 1.00 22.15 H new ATOM 0 HD2 ARG A 9 -39.557 4.121 -8.035 1.00 51.34 H new ATOM 0 HD3 ARG A 9 -40.271 2.882 -9.048 1.00 51.34 H new ATOM 0 HE ARG A 9 -39.437 1.309 -7.073 1.00 12.44 H new ATOM 0 HH11 ARG A 9 -40.667 4.566 -6.782 1.00 31.22 H new ATOM 0 HH12 ARG A 9 -41.438 4.239 -5.226 1.00 31.22 H new ATOM 0 HH21 ARG A 9 -40.426 0.926 -5.137 1.00 65.24 H new ATOM 0 HH22 ARG A 9 -41.303 2.220 -4.315 1.00 65.24 H new ATOM 172 N THR A 10 -36.329 2.480 -12.504 1.00 21.14 N ATOM 173 CA THR A 10 -35.393 1.640 -13.274 1.00 22.24 C ATOM 174 C THR A 10 -34.461 0.810 -12.373 1.00 23.13 C ATOM 175 O THR A 10 -34.664 -0.393 -12.213 1.00 25.34 O ATOM 176 CB THR A 10 -34.540 2.495 -14.243 1.00 33.33 C ATOM 177 OG1 THR A 10 -33.746 3.441 -13.509 1.00 53.14 O ATOM 178 CG2 THR A 10 -35.429 3.241 -15.234 1.00 23.14 C ATOM 0 H THR A 10 -35.987 3.422 -12.316 1.00 21.14 H new ATOM 0 HA THR A 10 -36.012 0.949 -13.846 1.00 22.24 H new ATOM 0 HB THR A 10 -33.883 1.822 -14.794 1.00 33.33 H new ATOM 0 HG1 THR A 10 -32.797 3.220 -13.611 1.00 53.14 H new ATOM 0 HG21 THR A 10 -34.808 3.835 -15.904 1.00 23.14 H new ATOM 0 HG22 THR A 10 -36.007 2.523 -15.816 1.00 23.14 H new ATOM 0 HG23 THR A 10 -36.108 3.898 -14.691 1.00 23.14 H new ATOM 186 N ARG A 11 -33.446 1.458 -11.796 1.00 14.51 N ATOM 187 CA ARG A 11 -32.465 0.794 -10.915 1.00 14.31 C ATOM 188 C ARG A 11 -31.552 -0.180 -11.696 1.00 70.23 C ATOM 189 O ARG A 11 -32.025 -1.087 -12.386 1.00 21.42 O ATOM 190 CB ARG A 11 -33.190 0.076 -9.752 1.00 11.22 C ATOM 191 CG ARG A 11 -32.278 -0.419 -8.624 1.00 71.13 C ATOM 192 CD ARG A 11 -31.639 -1.773 -8.931 1.00 64.05 C ATOM 193 NE ARG A 11 -30.748 -2.203 -7.855 1.00 42.02 N ATOM 194 CZ ARG A 11 -30.258 -3.408 -7.735 1.00 44.31 C ATOM 195 NH1 ARG A 11 -30.563 -4.336 -8.584 1.00 41.43 N ATOM 196 NH2 ARG A 11 -29.468 -3.680 -6.750 1.00 4.24 N ATOM 0 H ARG A 11 -33.276 2.456 -11.922 1.00 14.51 H new ATOM 0 HA ARG A 11 -31.816 1.564 -10.497 1.00 14.31 H new ATOM 0 HB2 ARG A 11 -33.928 0.757 -9.329 1.00 11.22 H new ATOM 0 HB3 ARG A 11 -33.737 -0.776 -10.156 1.00 11.22 H new ATOM 0 HG2 ARG A 11 -31.493 0.317 -8.448 1.00 71.13 H new ATOM 0 HG3 ARG A 11 -32.856 -0.495 -7.703 1.00 71.13 H new ATOM 0 HD2 ARG A 11 -32.420 -2.519 -9.078 1.00 64.05 H new ATOM 0 HD3 ARG A 11 -31.079 -1.709 -9.864 1.00 64.05 H new ATOM 0 HE ARG A 11 -30.491 -1.514 -7.148 1.00 42.02 H new ATOM 0 HH11 ARG A 11 -31.193 -4.131 -9.359 1.00 41.43 H new ATOM 0 HH12 ARG A 11 -30.173 -5.272 -8.478 1.00 41.43 H new ATOM 0 HH21 ARG A 11 -29.230 -2.956 -6.072 1.00 4.24 H new ATOM 0 HH22 ARG A 11 -29.082 -4.619 -6.650 1.00 4.24 H new ATOM 210 N GLY A 12 -30.238 0.018 -11.576 1.00 4.04 N ATOM 211 CA GLY A 12 -29.275 -0.846 -12.259 1.00 52.51 C ATOM 212 C GLY A 12 -27.848 -0.307 -12.196 1.00 42.52 C ATOM 213 O GLY A 12 -27.623 0.812 -11.734 1.00 0.41 O ATOM 0 H GLY A 12 -29.820 0.762 -11.018 1.00 4.04 H new ATOM 0 HA2 GLY A 12 -29.303 -1.839 -11.811 1.00 52.51 H new ATOM 0 HA3 GLY A 12 -29.570 -0.958 -13.302 1.00 52.51 H new ATOM 217 N GLY A 13 -26.879 -1.102 -12.649 1.00 3.33 N ATOM 218 CA GLY A 13 -25.484 -0.664 -12.634 1.00 23.32 C ATOM 219 C GLY A 13 -24.484 -1.816 -12.745 1.00 11.14 C ATOM 220 O GLY A 13 -24.675 -2.877 -12.144 1.00 44.34 O ATOM 0 H GLY A 13 -27.030 -2.038 -13.025 1.00 3.33 H new ATOM 0 HA2 GLY A 13 -25.320 0.030 -13.458 1.00 23.32 H new ATOM 0 HA3 GLY A 13 -25.293 -0.115 -11.712 1.00 23.32 H new ATOM 224 N ASN A 14 -23.410 -1.608 -13.507 1.00 55.04 N ATOM 225 CA ASN A 14 -22.373 -2.638 -13.700 1.00 4.40 C ATOM 226 C ASN A 14 -21.080 -2.300 -12.936 1.00 23.51 C ATOM 227 O ASN A 14 -20.871 -1.164 -12.504 1.00 31.31 O ATOM 228 CB ASN A 14 -22.082 -2.824 -15.194 1.00 4.31 C ATOM 229 CG ASN A 14 -23.272 -3.388 -15.957 1.00 13.12 C ATOM 230 OD1 ASN A 14 -23.509 -3.046 -17.109 1.00 61.10 O ATOM 231 ND2 ASN A 14 -24.024 -4.275 -15.331 1.00 72.33 N ATOM 0 H ASN A 14 -23.230 -0.736 -14.004 1.00 55.04 H new ATOM 0 HA ASN A 14 -22.756 -3.574 -13.293 1.00 4.40 H new ATOM 0 HB2 ASN A 14 -21.799 -1.865 -15.627 1.00 4.31 H new ATOM 0 HB3 ASN A 14 -21.229 -3.492 -15.314 1.00 4.31 H new ATOM 0 HD21 ASN A 14 -24.824 -4.692 -15.807 1.00 72.33 H new ATOM 0 HD22 ASN A 14 -23.805 -4.543 -14.371 1.00 72.33 H new ATOM 238 N THR A 15 -20.207 -3.296 -12.788 1.00 24.01 N ATOM 239 CA THR A 15 -18.994 -3.156 -11.966 1.00 43.33 C ATOM 240 C THR A 15 -17.711 -3.308 -12.798 1.00 21.23 C ATOM 241 O THR A 15 -17.579 -4.239 -13.598 1.00 72.53 O ATOM 242 CB THR A 15 -18.974 -4.208 -10.824 1.00 1.42 C ATOM 243 OG1 THR A 15 -20.193 -4.144 -10.060 1.00 14.10 O ATOM 244 CG2 THR A 15 -17.784 -3.993 -9.892 1.00 12.32 C ATOM 0 H THR A 15 -20.313 -4.212 -13.225 1.00 24.01 H new ATOM 0 HA THR A 15 -19.021 -2.151 -11.546 1.00 43.33 H new ATOM 0 HB THR A 15 -18.883 -5.191 -11.286 1.00 1.42 H new ATOM 0 HG1 THR A 15 -20.167 -4.814 -9.345 1.00 14.10 H new ATOM 0 HG21 THR A 15 -17.799 -4.745 -9.104 1.00 12.32 H new ATOM 0 HG22 THR A 15 -16.857 -4.080 -10.459 1.00 12.32 H new ATOM 0 HG23 THR A 15 -17.845 -3.000 -9.447 1.00 12.32 H new ATOM 252 N LYS A 16 -16.772 -2.381 -12.613 1.00 62.34 N ATOM 253 CA LYS A 16 -15.450 -2.471 -13.246 1.00 1.11 C ATOM 254 C LYS A 16 -14.462 -3.257 -12.366 1.00 63.23 C ATOM 255 O LYS A 16 -14.518 -3.194 -11.137 1.00 3.02 O ATOM 256 CB LYS A 16 -14.897 -1.068 -13.549 1.00 31.14 C ATOM 257 CG LYS A 16 -15.454 -0.452 -14.831 1.00 55.31 C ATOM 258 CD LYS A 16 -14.970 -1.210 -16.069 1.00 64.31 C ATOM 259 CE LYS A 16 -15.589 -0.670 -17.355 1.00 54.13 C ATOM 260 NZ LYS A 16 -17.067 -0.839 -17.381 1.00 11.20 N ATOM 0 H LYS A 16 -16.900 -1.555 -12.028 1.00 62.34 H new ATOM 0 HA LYS A 16 -15.568 -3.010 -14.186 1.00 1.11 H new ATOM 0 HB2 LYS A 16 -15.124 -0.409 -12.711 1.00 31.14 H new ATOM 0 HB3 LYS A 16 -13.811 -1.124 -13.625 1.00 31.14 H new ATOM 0 HG2 LYS A 16 -16.543 -0.463 -14.798 1.00 55.31 H new ATOM 0 HG3 LYS A 16 -15.147 0.592 -14.898 1.00 55.31 H new ATOM 0 HD2 LYS A 16 -13.884 -1.141 -16.134 1.00 64.31 H new ATOM 0 HD3 LYS A 16 -15.216 -2.267 -15.965 1.00 64.31 H new ATOM 0 HE2 LYS A 16 -15.344 0.387 -17.458 1.00 54.13 H new ATOM 0 HE3 LYS A 16 -15.151 -1.184 -18.211 1.00 54.13 H new ATOM 0 HZ1 LYS A 16 -17.421 -0.650 -18.340 1.00 11.20 H new ATOM 0 HZ2 LYS A 16 -17.310 -1.813 -17.107 1.00 11.20 H new ATOM 0 HZ3 LYS A 16 -17.504 -0.172 -16.713 1.00 11.20 H new ATOM 274 N VAL A 17 -13.563 -4.000 -13.009 1.00 40.41 N ATOM 275 CA VAL A 17 -12.593 -4.841 -12.297 1.00 42.00 C ATOM 276 C VAL A 17 -11.485 -4.013 -11.619 1.00 15.02 C ATOM 277 O VAL A 17 -10.953 -3.058 -12.191 1.00 43.12 O ATOM 278 CB VAL A 17 -11.957 -5.887 -13.251 1.00 75.11 C ATOM 279 CG1 VAL A 17 -11.227 -5.204 -14.409 1.00 24.23 C ATOM 280 CG2 VAL A 17 -11.021 -6.827 -12.487 1.00 75.43 C ATOM 0 H VAL A 17 -13.483 -4.039 -14.025 1.00 40.41 H new ATOM 0 HA VAL A 17 -13.148 -5.359 -11.515 1.00 42.00 H new ATOM 0 HB VAL A 17 -12.762 -6.488 -13.674 1.00 75.11 H new ATOM 0 HG11 VAL A 17 -10.791 -5.961 -15.061 1.00 24.23 H new ATOM 0 HG12 VAL A 17 -11.933 -4.598 -14.977 1.00 24.23 H new ATOM 0 HG13 VAL A 17 -10.436 -4.566 -14.015 1.00 24.23 H new ATOM 0 HG21 VAL A 17 -10.588 -7.550 -13.178 1.00 75.43 H new ATOM 0 HG22 VAL A 17 -10.224 -6.247 -12.022 1.00 75.43 H new ATOM 0 HG23 VAL A 17 -11.584 -7.353 -11.716 1.00 75.43 H new ATOM 290 N ARG A 18 -11.141 -4.412 -10.395 1.00 12.12 N ATOM 291 CA ARG A 18 -10.121 -3.729 -9.579 1.00 72.45 C ATOM 292 C ARG A 18 -8.713 -3.712 -10.216 1.00 15.13 C ATOM 293 O ARG A 18 -7.806 -3.063 -9.695 1.00 11.25 O ATOM 294 CB ARG A 18 -10.068 -4.366 -8.171 1.00 54.23 C ATOM 295 CG ARG A 18 -10.193 -5.896 -8.146 1.00 15.32 C ATOM 296 CD ARG A 18 -9.015 -6.609 -8.808 1.00 52.35 C ATOM 297 NE ARG A 18 -9.231 -8.050 -8.896 1.00 43.22 N ATOM 298 CZ ARG A 18 -8.340 -8.908 -9.313 1.00 33.41 C ATOM 299 NH1 ARG A 18 -7.149 -8.524 -9.652 1.00 61.34 N ATOM 300 NH2 ARG A 18 -8.641 -10.159 -9.386 1.00 11.02 N ATOM 0 H ARG A 18 -11.560 -5.220 -9.934 1.00 12.12 H new ATOM 0 HA ARG A 18 -10.427 -2.685 -9.512 1.00 72.45 H new ATOM 0 HB2 ARG A 18 -9.127 -4.086 -7.697 1.00 54.23 H new ATOM 0 HB3 ARG A 18 -10.869 -3.941 -7.566 1.00 54.23 H new ATOM 0 HG2 ARG A 18 -10.276 -6.230 -7.112 1.00 15.32 H new ATOM 0 HG3 ARG A 18 -11.115 -6.187 -8.650 1.00 15.32 H new ATOM 0 HD2 ARG A 18 -8.860 -6.203 -9.808 1.00 52.35 H new ATOM 0 HD3 ARG A 18 -8.106 -6.412 -8.240 1.00 52.35 H new ATOM 0 HE ARG A 18 -10.141 -8.412 -8.612 1.00 43.22 H new ATOM 0 HH11 ARG A 18 -6.896 -7.538 -9.595 1.00 61.34 H new ATOM 0 HH12 ARG A 18 -6.465 -9.208 -9.976 1.00 61.34 H new ATOM 0 HH21 ARG A 18 -9.573 -10.476 -9.118 1.00 11.02 H new ATOM 0 HH22 ARG A 18 -7.947 -10.832 -9.711 1.00 11.02 H new ATOM 314 N LEU A 19 -8.523 -4.429 -11.322 1.00 72.24 N ATOM 315 CA LEU A 19 -7.217 -4.462 -11.990 1.00 13.52 C ATOM 316 C LEU A 19 -7.361 -4.845 -13.471 1.00 51.32 C ATOM 317 O LEU A 19 -7.767 -5.964 -13.801 1.00 30.11 O ATOM 318 CB LEU A 19 -6.273 -5.439 -11.258 1.00 32.42 C ATOM 319 CG LEU A 19 -4.764 -5.292 -11.568 1.00 53.41 C ATOM 320 CD1 LEU A 19 -3.928 -5.999 -10.504 1.00 61.40 C ATOM 321 CD2 LEU A 19 -4.419 -5.840 -12.955 1.00 54.22 C ATOM 0 H LEU A 19 -9.246 -4.990 -11.773 1.00 72.24 H new ATOM 0 HA LEU A 19 -6.784 -3.462 -11.950 1.00 13.52 H new ATOM 0 HB2 LEU A 19 -6.416 -5.314 -10.185 1.00 32.42 H new ATOM 0 HB3 LEU A 19 -6.576 -6.457 -11.504 1.00 32.42 H new ATOM 0 HG LEU A 19 -4.529 -4.228 -11.558 1.00 53.41 H new ATOM 0 HD11 LEU A 19 -2.870 -5.885 -10.738 1.00 61.40 H new ATOM 0 HD12 LEU A 19 -4.133 -5.559 -9.528 1.00 61.40 H new ATOM 0 HD13 LEU A 19 -4.184 -7.058 -10.485 1.00 61.40 H new ATOM 0 HD21 LEU A 19 -3.351 -5.720 -13.138 1.00 54.22 H new ATOM 0 HD22 LEU A 19 -4.679 -6.897 -13.003 1.00 54.22 H new ATOM 0 HD23 LEU A 19 -4.981 -5.293 -13.712 1.00 54.22 H new ATOM 333 N ALA A 20 -7.034 -3.902 -14.351 1.00 75.13 N ATOM 334 CA ALA A 20 -7.038 -4.139 -15.798 1.00 52.41 C ATOM 335 C ALA A 20 -5.980 -3.272 -16.505 1.00 30.25 C ATOM 336 O ALA A 20 -6.176 -2.065 -16.683 1.00 1.02 O ATOM 337 CB ALA A 20 -8.421 -3.869 -16.377 1.00 23.54 C ATOM 0 H ALA A 20 -6.760 -2.956 -14.086 1.00 75.13 H new ATOM 0 HA ALA A 20 -6.785 -5.185 -15.969 1.00 52.41 H new ATOM 0 HB1 ALA A 20 -8.407 -4.049 -17.452 1.00 23.54 H new ATOM 0 HB2 ALA A 20 -9.148 -4.532 -15.907 1.00 23.54 H new ATOM 0 HB3 ALA A 20 -8.699 -2.832 -16.187 1.00 23.54 H new ATOM 343 N SER A 21 -4.854 -3.893 -16.874 1.00 60.23 N ATOM 344 CA SER A 21 -3.733 -3.217 -17.568 1.00 50.53 C ATOM 345 C SER A 21 -2.916 -2.314 -16.626 1.00 24.23 C ATOM 346 O SER A 21 -1.683 -2.341 -16.639 1.00 71.23 O ATOM 347 CB SER A 21 -4.226 -2.398 -18.776 1.00 62.32 C ATOM 348 OG SER A 21 -4.926 -3.213 -19.706 1.00 72.13 O ATOM 0 H SER A 21 -4.686 -4.884 -16.702 1.00 60.23 H new ATOM 0 HA SER A 21 -3.077 -4.012 -17.924 1.00 50.53 H new ATOM 0 HB2 SER A 21 -4.878 -1.595 -18.431 1.00 62.32 H new ATOM 0 HB3 SER A 21 -3.376 -1.928 -19.270 1.00 62.32 H new ATOM 0 HG SER A 21 -5.227 -2.664 -20.460 1.00 72.13 H new ATOM 354 N ASP A 22 -3.603 -1.513 -15.817 1.00 10.51 N ATOM 355 CA ASP A 22 -2.948 -0.587 -14.884 1.00 2.25 C ATOM 356 C ASP A 22 -3.147 -1.040 -13.426 1.00 24.54 C ATOM 357 O ASP A 22 -4.169 -1.641 -13.088 1.00 52.14 O ATOM 358 CB ASP A 22 -3.507 0.827 -15.099 1.00 65.44 C ATOM 359 CG ASP A 22 -2.863 1.867 -14.198 1.00 30.24 C ATOM 360 OD1 ASP A 22 -1.620 1.858 -14.070 1.00 44.43 O ATOM 361 OD2 ASP A 22 -3.599 2.692 -13.618 1.00 24.21 O ATOM 0 H ASP A 22 -4.622 -1.483 -15.785 1.00 10.51 H new ATOM 0 HA ASP A 22 -1.876 -0.583 -15.080 1.00 2.25 H new ATOM 0 HB2 ASP A 22 -3.359 1.115 -16.140 1.00 65.44 H new ATOM 0 HB3 ASP A 22 -4.582 0.817 -14.921 1.00 65.44 H new ATOM 366 N THR A 23 -2.177 -0.739 -12.566 1.00 22.31 N ATOM 367 CA THR A 23 -2.215 -1.194 -11.165 1.00 12.33 C ATOM 368 C THR A 23 -2.099 -0.015 -10.188 1.00 52.11 C ATOM 369 O THR A 23 -1.065 0.644 -10.116 1.00 34.13 O ATOM 370 CB THR A 23 -1.071 -2.200 -10.866 1.00 62.34 C ATOM 371 OG1 THR A 23 -1.147 -3.329 -11.750 1.00 35.22 O ATOM 372 CG2 THR A 23 -1.125 -2.693 -9.423 1.00 55.30 C ATOM 0 H THR A 23 -1.355 -0.185 -12.806 1.00 22.31 H new ATOM 0 HA THR A 23 -3.177 -1.686 -11.025 1.00 12.33 H new ATOM 0 HB THR A 23 -0.129 -1.674 -11.023 1.00 62.34 H new ATOM 0 HG1 THR A 23 -0.418 -3.952 -11.549 1.00 35.22 H new ATOM 0 HG21 THR A 23 -0.310 -3.396 -9.248 1.00 55.30 H new ATOM 0 HG22 THR A 23 -1.025 -1.845 -8.745 1.00 55.30 H new ATOM 0 HG23 THR A 23 -2.078 -3.191 -9.244 1.00 55.30 H new ATOM 380 N ARG A 24 -3.162 0.230 -9.420 1.00 34.54 N ATOM 381 CA ARG A 24 -3.187 1.334 -8.448 1.00 60.32 C ATOM 382 C ARG A 24 -3.564 0.841 -7.042 1.00 74.30 C ATOM 383 O ARG A 24 -4.291 -0.143 -6.891 1.00 54.44 O ATOM 384 CB ARG A 24 -4.191 2.407 -8.890 1.00 13.32 C ATOM 385 CG ARG A 24 -3.863 3.055 -10.231 1.00 35.33 C ATOM 386 CD ARG A 24 -4.916 4.088 -10.617 1.00 75.44 C ATOM 387 NE ARG A 24 -4.614 4.733 -11.890 1.00 43.22 N ATOM 388 CZ ARG A 24 -5.433 5.528 -12.519 1.00 44.21 C ATOM 389 NH1 ARG A 24 -6.615 5.772 -12.048 1.00 22.40 N ATOM 390 NH2 ARG A 24 -5.065 6.078 -13.630 1.00 72.52 N ATOM 0 H ARG A 24 -4.020 -0.320 -9.450 1.00 34.54 H new ATOM 0 HA ARG A 24 -2.183 1.757 -8.409 1.00 60.32 H new ATOM 0 HB2 ARG A 24 -5.183 1.959 -8.949 1.00 13.32 H new ATOM 0 HB3 ARG A 24 -4.237 3.183 -8.126 1.00 13.32 H new ATOM 0 HG2 ARG A 24 -2.884 3.532 -10.178 1.00 35.33 H new ATOM 0 HG3 ARG A 24 -3.802 2.288 -11.003 1.00 35.33 H new ATOM 0 HD2 ARG A 24 -5.891 3.605 -10.679 1.00 75.44 H new ATOM 0 HD3 ARG A 24 -4.984 4.845 -9.835 1.00 75.44 H new ATOM 0 HE ARG A 24 -3.705 4.550 -12.315 1.00 43.22 H new ATOM 0 HH11 ARG A 24 -6.915 5.340 -11.174 1.00 22.40 H new ATOM 0 HH12 ARG A 24 -7.246 6.396 -12.551 1.00 22.40 H new ATOM 0 HH21 ARG A 24 -4.138 5.889 -14.010 1.00 72.52 H new ATOM 0 HH22 ARG A 24 -5.702 6.701 -14.126 1.00 72.52 H new ATOM 404 N ILE A 25 -3.070 1.537 -6.018 1.00 34.22 N ATOM 405 CA ILE A 25 -3.406 1.219 -4.623 1.00 50.32 C ATOM 406 C ILE A 25 -3.464 2.493 -3.754 1.00 24.42 C ATOM 407 O ILE A 25 -2.644 3.402 -3.903 1.00 21.35 O ATOM 408 CB ILE A 25 -2.389 0.215 -4.010 1.00 41.32 C ATOM 409 CG1 ILE A 25 -2.795 -0.162 -2.572 1.00 43.44 C ATOM 410 CG2 ILE A 25 -0.969 0.786 -4.042 1.00 24.22 C ATOM 411 CD1 ILE A 25 -1.864 -1.156 -1.906 1.00 21.44 C ATOM 0 H ILE A 25 -2.434 2.327 -6.125 1.00 34.22 H new ATOM 0 HA ILE A 25 -4.393 0.756 -4.633 1.00 50.32 H new ATOM 0 HB ILE A 25 -2.401 -0.691 -4.616 1.00 41.32 H new ATOM 0 HG12 ILE A 25 -2.834 0.744 -1.968 1.00 43.44 H new ATOM 0 HG13 ILE A 25 -3.802 -0.578 -2.588 1.00 43.44 H new ATOM 0 HG21 ILE A 25 -0.277 0.065 -3.608 1.00 24.22 H new ATOM 0 HG22 ILE A 25 -0.682 0.989 -5.074 1.00 24.22 H new ATOM 0 HG23 ILE A 25 -0.936 1.712 -3.467 1.00 24.22 H new ATOM 0 HD11 ILE A 25 -2.220 -1.368 -0.898 1.00 21.44 H new ATOM 0 HD12 ILE A 25 -1.843 -2.079 -2.485 1.00 21.44 H new ATOM 0 HD13 ILE A 25 -0.859 -0.736 -1.855 1.00 21.44 H new ATOM 423 N ASN A 26 -4.452 2.560 -2.867 1.00 34.34 N ATOM 424 CA ASN A 26 -4.578 3.670 -1.921 1.00 62.31 C ATOM 425 C ASN A 26 -3.617 3.478 -0.738 1.00 61.30 C ATOM 426 O ASN A 26 -3.868 2.663 0.150 1.00 71.01 O ATOM 427 CB ASN A 26 -6.020 3.763 -1.405 1.00 52.53 C ATOM 428 CG ASN A 26 -7.028 4.001 -2.516 1.00 45.10 C ATOM 429 OD1 ASN A 26 -6.749 4.678 -3.499 1.00 12.21 O ATOM 430 ND2 ASN A 26 -8.212 3.441 -2.372 1.00 52.43 N ATOM 0 H ASN A 26 -5.183 1.854 -2.781 1.00 34.34 H new ATOM 0 HA ASN A 26 -4.322 4.595 -2.438 1.00 62.31 H new ATOM 0 HB2 ASN A 26 -6.274 2.841 -0.881 1.00 52.53 H new ATOM 0 HB3 ASN A 26 -6.090 4.572 -0.678 1.00 52.53 H new ATOM 0 HD21 ASN A 26 -8.926 3.566 -3.090 1.00 52.43 H new ATOM 0 HD22 ASN A 26 -8.415 2.883 -1.543 1.00 52.43 H new ATOM 437 N VAL A 27 -2.518 4.223 -0.737 1.00 72.42 N ATOM 438 CA VAL A 27 -1.502 4.103 0.309 1.00 14.30 C ATOM 439 C VAL A 27 -1.733 5.119 1.440 1.00 10.04 C ATOM 440 O VAL A 27 -1.620 6.326 1.237 1.00 1.22 O ATOM 441 CB VAL A 27 -0.084 4.307 -0.276 1.00 62.12 C ATOM 442 CG1 VAL A 27 0.987 4.104 0.791 1.00 25.34 C ATOM 443 CG2 VAL A 27 0.145 3.378 -1.465 1.00 21.53 C ATOM 0 H VAL A 27 -2.305 4.920 -1.451 1.00 72.42 H new ATOM 0 HA VAL A 27 -1.585 3.097 0.720 1.00 14.30 H new ATOM 0 HB VAL A 27 -0.008 5.336 -0.628 1.00 62.12 H new ATOM 0 HG11 VAL A 27 1.973 4.254 0.350 1.00 25.34 H new ATOM 0 HG12 VAL A 27 0.837 4.821 1.598 1.00 25.34 H new ATOM 0 HG13 VAL A 27 0.917 3.091 1.188 1.00 25.34 H new ATOM 0 HG21 VAL A 27 1.147 3.536 -1.863 1.00 21.53 H new ATOM 0 HG22 VAL A 27 0.042 2.342 -1.142 1.00 21.53 H new ATOM 0 HG23 VAL A 27 -0.591 3.591 -2.240 1.00 21.53 H new ATOM 453 N VAL A 28 -2.056 4.618 2.627 1.00 22.12 N ATOM 454 CA VAL A 28 -2.263 5.467 3.803 1.00 34.50 C ATOM 455 C VAL A 28 -0.979 5.560 4.637 1.00 32.12 C ATOM 456 O VAL A 28 -0.481 4.553 5.140 1.00 1.14 O ATOM 457 CB VAL A 28 -3.402 4.920 4.705 1.00 74.40 C ATOM 458 CG1 VAL A 28 -3.711 5.896 5.842 1.00 54.21 C ATOM 459 CG2 VAL A 28 -4.653 4.618 3.881 1.00 11.42 C ATOM 0 H VAL A 28 -2.182 3.621 2.805 1.00 22.12 H new ATOM 0 HA VAL A 28 -2.541 6.456 3.438 1.00 34.50 H new ATOM 0 HB VAL A 28 -3.063 3.984 5.150 1.00 74.40 H new ATOM 0 HG11 VAL A 28 -4.512 5.492 6.461 1.00 54.21 H new ATOM 0 HG12 VAL A 28 -2.819 6.039 6.451 1.00 54.21 H new ATOM 0 HG13 VAL A 28 -4.023 6.854 5.425 1.00 54.21 H new ATOM 0 HG21 VAL A 28 -5.436 4.236 4.536 1.00 11.42 H new ATOM 0 HG22 VAL A 28 -4.998 5.531 3.396 1.00 11.42 H new ATOM 0 HG23 VAL A 28 -4.418 3.871 3.123 1.00 11.42 H new ATOM 469 N ASP A 29 -0.441 6.766 4.775 1.00 51.22 N ATOM 470 CA ASP A 29 0.774 6.976 5.561 1.00 4.20 C ATOM 471 C ASP A 29 0.468 6.936 7.072 1.00 52.42 C ATOM 472 O ASP A 29 -0.438 7.622 7.545 1.00 32.01 O ATOM 473 CB ASP A 29 1.417 8.310 5.176 1.00 32.01 C ATOM 474 CG ASP A 29 2.760 8.518 5.852 1.00 40.44 C ATOM 475 OD1 ASP A 29 3.779 8.086 5.291 1.00 42.35 O ATOM 476 OD2 ASP A 29 2.793 9.101 6.951 1.00 25.30 O ATOM 0 H ASP A 29 -0.824 7.613 4.355 1.00 51.22 H new ATOM 0 HA ASP A 29 1.474 6.169 5.342 1.00 4.20 H new ATOM 0 HB2 ASP A 29 1.547 8.349 4.095 1.00 32.01 H new ATOM 0 HB3 ASP A 29 0.746 9.126 5.446 1.00 32.01 H new ATOM 481 N PRO A 30 1.215 6.131 7.852 1.00 50.51 N ATOM 482 CA PRO A 30 0.953 5.961 9.291 1.00 31.01 C ATOM 483 C PRO A 30 1.437 7.145 10.150 1.00 73.52 C ATOM 484 O PRO A 30 0.938 7.365 11.259 1.00 42.22 O ATOM 485 CB PRO A 30 1.735 4.688 9.631 1.00 4.01 C ATOM 486 CG PRO A 30 2.880 4.684 8.673 1.00 35.33 C ATOM 487 CD PRO A 30 2.367 5.320 7.402 1.00 14.51 C ATOM 0 HA PRO A 30 -0.115 5.904 9.502 1.00 31.01 H new ATOM 0 HB2 PRO A 30 2.082 4.700 10.664 1.00 4.01 H new ATOM 0 HB3 PRO A 30 1.116 3.799 9.513 1.00 4.01 H new ATOM 0 HG2 PRO A 30 3.726 5.243 9.074 1.00 35.33 H new ATOM 0 HG3 PRO A 30 3.229 3.668 8.487 1.00 35.33 H new ATOM 0 HD2 PRO A 30 3.130 5.938 6.928 1.00 14.51 H new ATOM 0 HD3 PRO A 30 2.066 4.569 6.672 1.00 14.51 H new ATOM 495 N GLU A 31 2.397 7.907 9.634 1.00 21.24 N ATOM 496 CA GLU A 31 3.015 9.000 10.393 1.00 24.13 C ATOM 497 C GLU A 31 2.245 10.322 10.224 1.00 20.24 C ATOM 498 O GLU A 31 2.151 11.125 11.155 1.00 20.34 O ATOM 499 CB GLU A 31 4.472 9.177 9.943 1.00 2.54 C ATOM 500 CG GLU A 31 5.274 7.877 9.936 1.00 3.24 C ATOM 501 CD GLU A 31 6.718 8.067 9.496 1.00 11.50 C ATOM 502 OE1 GLU A 31 6.949 8.735 8.469 1.00 32.23 O ATOM 503 OE2 GLU A 31 7.631 7.536 10.168 1.00 4.42 O ATOM 0 H GLU A 31 2.768 7.790 8.691 1.00 21.24 H new ATOM 0 HA GLU A 31 2.983 8.737 11.450 1.00 24.13 H new ATOM 0 HB2 GLU A 31 4.484 9.607 8.941 1.00 2.54 H new ATOM 0 HB3 GLU A 31 4.962 9.893 10.603 1.00 2.54 H new ATOM 0 HG2 GLU A 31 5.260 7.443 10.936 1.00 3.24 H new ATOM 0 HG3 GLU A 31 4.789 7.162 9.271 1.00 3.24 H new ATOM 510 N THR A 32 1.703 10.542 9.028 1.00 21.32 N ATOM 511 CA THR A 32 0.962 11.774 8.708 1.00 41.40 C ATOM 512 C THR A 32 -0.546 11.518 8.592 1.00 61.24 C ATOM 513 O THR A 32 -1.358 12.388 8.907 1.00 5.33 O ATOM 514 CB THR A 32 1.449 12.391 7.375 1.00 65.24 C ATOM 515 OG1 THR A 32 1.274 11.444 6.308 1.00 62.31 O ATOM 516 CG2 THR A 32 2.918 12.797 7.461 1.00 43.21 C ATOM 0 H THR A 32 1.761 9.880 8.254 1.00 21.32 H new ATOM 0 HA THR A 32 1.151 12.465 9.530 1.00 41.40 H new ATOM 0 HB THR A 32 0.856 13.284 7.177 1.00 65.24 H new ATOM 0 HG1 THR A 32 1.860 10.673 6.456 1.00 62.31 H new ATOM 0 HG21 THR A 32 3.233 13.227 6.510 1.00 43.21 H new ATOM 0 HG22 THR A 32 3.046 13.535 8.253 1.00 43.21 H new ATOM 0 HG23 THR A 32 3.526 11.919 7.681 1.00 43.21 H new ATOM 524 N GLY A 33 -0.915 10.317 8.141 1.00 44.22 N ATOM 525 CA GLY A 33 -2.327 9.962 7.998 1.00 45.44 C ATOM 526 C GLY A 33 -2.908 10.305 6.628 1.00 61.34 C ATOM 527 O GLY A 33 -4.122 10.237 6.432 1.00 34.04 O ATOM 0 H GLY A 33 -0.262 9.581 7.871 1.00 44.22 H new ATOM 0 HA2 GLY A 33 -2.444 8.893 8.176 1.00 45.44 H new ATOM 0 HA3 GLY A 33 -2.902 10.478 8.767 1.00 45.44 H new ATOM 531 N LYS A 34 -2.049 10.676 5.677 1.00 50.00 N ATOM 532 CA LYS A 34 -2.503 11.051 4.332 1.00 63.20 C ATOM 533 C LYS A 34 -2.804 9.818 3.463 1.00 42.53 C ATOM 534 O LYS A 34 -2.063 8.831 3.483 1.00 65.33 O ATOM 535 CB LYS A 34 -1.458 11.942 3.636 1.00 34.52 C ATOM 536 CG LYS A 34 -0.112 11.263 3.381 1.00 4.21 C ATOM 537 CD LYS A 34 0.892 12.224 2.744 1.00 14.24 C ATOM 538 CE LYS A 34 2.266 11.586 2.555 1.00 71.54 C ATOM 539 NZ LYS A 34 2.250 10.477 1.561 1.00 64.12 N ATOM 0 H LYS A 34 -1.039 10.726 5.810 1.00 50.00 H new ATOM 0 HA LYS A 34 -3.431 11.611 4.450 1.00 63.20 H new ATOM 0 HB2 LYS A 34 -1.865 12.281 2.684 1.00 34.52 H new ATOM 0 HB3 LYS A 34 -1.292 12.830 4.246 1.00 34.52 H new ATOM 0 HG2 LYS A 34 0.290 10.887 4.322 1.00 4.21 H new ATOM 0 HG3 LYS A 34 -0.256 10.402 2.729 1.00 4.21 H new ATOM 0 HD2 LYS A 34 0.512 12.555 1.778 1.00 14.24 H new ATOM 0 HD3 LYS A 34 0.989 13.111 3.369 1.00 14.24 H new ATOM 0 HE2 LYS A 34 2.975 12.348 2.232 1.00 71.54 H new ATOM 0 HE3 LYS A 34 2.621 11.206 3.513 1.00 71.54 H new ATOM 0 HZ1 LYS A 34 3.199 10.056 1.495 1.00 64.12 H new ATOM 0 HZ2 LYS A 34 1.569 9.751 1.862 1.00 64.12 H new ATOM 0 HZ3 LYS A 34 1.971 10.849 0.631 1.00 64.12 H new ATOM 553 N VAL A 35 -3.901 9.881 2.710 1.00 65.35 N ATOM 554 CA VAL A 35 -4.270 8.817 1.773 1.00 32.05 C ATOM 555 C VAL A 35 -3.816 9.178 0.350 1.00 41.41 C ATOM 556 O VAL A 35 -4.405 10.044 -0.304 1.00 31.33 O ATOM 557 CB VAL A 35 -5.799 8.563 1.775 1.00 74.43 C ATOM 558 CG1 VAL A 35 -6.168 7.413 0.836 1.00 54.24 C ATOM 559 CG2 VAL A 35 -6.299 8.289 3.192 1.00 62.31 C ATOM 0 H VAL A 35 -4.555 10.663 2.730 1.00 65.35 H new ATOM 0 HA VAL A 35 -3.768 7.906 2.099 1.00 32.05 H new ATOM 0 HB VAL A 35 -6.290 9.464 1.408 1.00 74.43 H new ATOM 0 HG11 VAL A 35 -7.247 7.257 0.858 1.00 54.24 H new ATOM 0 HG12 VAL A 35 -5.857 7.658 -0.180 1.00 54.24 H new ATOM 0 HG13 VAL A 35 -5.663 6.503 1.160 1.00 54.24 H new ATOM 0 HG21 VAL A 35 -7.375 8.113 3.171 1.00 62.31 H new ATOM 0 HG22 VAL A 35 -5.795 7.409 3.592 1.00 62.31 H new ATOM 0 HG23 VAL A 35 -6.084 9.149 3.826 1.00 62.31 H new ATOM 569 N GLU A 36 -2.768 8.515 -0.124 1.00 62.44 N ATOM 570 CA GLU A 36 -2.148 8.847 -1.412 1.00 51.14 C ATOM 571 C GLU A 36 -1.999 7.603 -2.306 1.00 4.34 C ATOM 572 O GLU A 36 -1.543 6.556 -1.859 1.00 40.11 O ATOM 573 CB GLU A 36 -0.786 9.507 -1.151 1.00 13.23 C ATOM 574 CG GLU A 36 -0.026 9.930 -2.405 1.00 3.42 C ATOM 575 CD GLU A 36 1.158 10.830 -2.088 1.00 43.45 C ATOM 576 OE1 GLU A 36 1.910 10.524 -1.141 1.00 54.11 O ATOM 577 OE2 GLU A 36 1.333 11.859 -2.775 1.00 12.53 O ATOM 0 H GLU A 36 -2.323 7.738 0.365 1.00 62.44 H new ATOM 0 HA GLU A 36 -2.793 9.542 -1.949 1.00 51.14 H new ATOM 0 HB2 GLU A 36 -0.938 10.385 -0.523 1.00 13.23 H new ATOM 0 HB3 GLU A 36 -0.165 8.813 -0.584 1.00 13.23 H new ATOM 0 HG2 GLU A 36 0.326 9.042 -2.930 1.00 3.42 H new ATOM 0 HG3 GLU A 36 -0.705 10.451 -3.080 1.00 3.42 H new ATOM 584 N ILE A 37 -2.395 7.734 -3.571 1.00 23.30 N ATOM 585 CA ILE A 37 -2.398 6.607 -4.514 1.00 43.21 C ATOM 586 C ILE A 37 -1.002 6.337 -5.113 1.00 4.44 C ATOM 587 O ILE A 37 -0.257 7.271 -5.433 1.00 55.33 O ATOM 588 CB ILE A 37 -3.404 6.864 -5.668 1.00 61.34 C ATOM 589 CG1 ILE A 37 -4.800 7.182 -5.099 1.00 62.15 C ATOM 590 CG2 ILE A 37 -3.465 5.659 -6.610 1.00 43.22 C ATOM 591 CD1 ILE A 37 -5.831 7.526 -6.156 1.00 62.43 C ATOM 0 H ILE A 37 -2.721 8.613 -3.972 1.00 23.30 H new ATOM 0 HA ILE A 37 -2.699 5.727 -3.945 1.00 43.21 H new ATOM 0 HB ILE A 37 -3.060 7.725 -6.242 1.00 61.34 H new ATOM 0 HG12 ILE A 37 -5.153 6.323 -4.527 1.00 62.15 H new ATOM 0 HG13 ILE A 37 -4.716 8.016 -4.402 1.00 62.15 H new ATOM 0 HG21 ILE A 37 -4.176 5.860 -7.412 1.00 43.22 H new ATOM 0 HG22 ILE A 37 -2.478 5.480 -7.036 1.00 43.22 H new ATOM 0 HG23 ILE A 37 -3.785 4.778 -6.054 1.00 43.22 H new ATOM 0 HD11 ILE A 37 -6.787 7.737 -5.677 1.00 62.43 H new ATOM 0 HD12 ILE A 37 -5.502 8.404 -6.713 1.00 62.43 H new ATOM 0 HD13 ILE A 37 -5.946 6.685 -6.840 1.00 62.43 H new ATOM 603 N ALA A 38 -0.662 5.056 -5.262 1.00 43.54 N ATOM 604 CA ALA A 38 0.607 4.637 -5.876 1.00 13.22 C ATOM 605 C ALA A 38 0.421 3.362 -6.720 1.00 32.01 C ATOM 606 O ALA A 38 -0.616 2.701 -6.636 1.00 10.31 O ATOM 607 CB ALA A 38 1.657 4.404 -4.793 1.00 2.52 C ATOM 0 H ALA A 38 -1.253 4.280 -4.963 1.00 43.54 H new ATOM 0 HA ALA A 38 0.946 5.433 -6.539 1.00 13.22 H new ATOM 0 HB1 ALA A 38 2.594 4.094 -5.255 1.00 2.52 H new ATOM 0 HB2 ALA A 38 1.816 5.327 -4.235 1.00 2.52 H new ATOM 0 HB3 ALA A 38 1.312 3.624 -4.114 1.00 2.52 H new ATOM 613 N GLU A 39 1.419 3.023 -7.539 1.00 34.24 N ATOM 614 CA GLU A 39 1.369 1.792 -8.346 1.00 63.22 C ATOM 615 C GLU A 39 2.158 0.656 -7.672 1.00 62.54 C ATOM 616 O GLU A 39 3.238 0.878 -7.120 1.00 0.32 O ATOM 617 CB GLU A 39 1.938 2.020 -9.759 1.00 3.11 C ATOM 618 CG GLU A 39 1.414 3.263 -10.478 1.00 33.13 C ATOM 619 CD GLU A 39 2.189 4.521 -10.112 1.00 41.34 C ATOM 620 OE1 GLU A 39 3.379 4.621 -10.497 1.00 42.31 O ATOM 621 OE2 GLU A 39 1.619 5.415 -9.453 1.00 73.10 O ATOM 0 H GLU A 39 2.267 3.576 -7.664 1.00 34.24 H new ATOM 0 HA GLU A 39 0.319 1.511 -8.425 1.00 63.22 H new ATOM 0 HB2 GLU A 39 3.023 2.091 -9.689 1.00 3.11 H new ATOM 0 HB3 GLU A 39 1.714 1.145 -10.369 1.00 3.11 H new ATOM 0 HG2 GLU A 39 1.471 3.106 -11.555 1.00 33.13 H new ATOM 0 HG3 GLU A 39 0.362 3.404 -10.231 1.00 33.13 H new ATOM 628 N ILE A 40 1.627 -0.564 -7.736 1.00 21.04 N ATOM 629 CA ILE A 40 2.295 -1.732 -7.145 1.00 10.24 C ATOM 630 C ILE A 40 3.291 -2.376 -8.128 1.00 24.12 C ATOM 631 O ILE A 40 2.902 -2.893 -9.178 1.00 21.34 O ATOM 632 CB ILE A 40 1.268 -2.800 -6.689 1.00 52.14 C ATOM 633 CG1 ILE A 40 0.302 -2.203 -5.650 1.00 22.05 C ATOM 634 CG2 ILE A 40 1.978 -4.031 -6.119 1.00 12.15 C ATOM 635 CD1 ILE A 40 -0.737 -3.180 -5.140 1.00 40.11 C ATOM 0 H ILE A 40 0.738 -0.774 -8.190 1.00 21.04 H new ATOM 0 HA ILE A 40 2.843 -1.368 -6.276 1.00 10.24 H new ATOM 0 HB ILE A 40 0.692 -3.115 -7.559 1.00 52.14 H new ATOM 0 HG12 ILE A 40 0.880 -1.829 -4.805 1.00 22.05 H new ATOM 0 HG13 ILE A 40 -0.206 -1.346 -6.092 1.00 22.05 H new ATOM 0 HG21 ILE A 40 1.237 -4.766 -5.806 1.00 12.15 H new ATOM 0 HG22 ILE A 40 2.621 -4.467 -6.884 1.00 12.15 H new ATOM 0 HG23 ILE A 40 2.583 -3.737 -5.261 1.00 12.15 H new ATOM 0 HD11 ILE A 40 -1.378 -2.682 -4.412 1.00 40.11 H new ATOM 0 HD12 ILE A 40 -1.342 -3.536 -5.974 1.00 40.11 H new ATOM 0 HD13 ILE A 40 -0.239 -4.026 -4.666 1.00 40.11 H new ATOM 647 N ARG A 41 4.576 -2.330 -7.777 1.00 14.33 N ATOM 648 CA ARG A 41 5.633 -2.947 -8.588 1.00 50.31 C ATOM 649 C ARG A 41 5.722 -4.464 -8.311 1.00 60.41 C ATOM 650 O ARG A 41 5.644 -5.288 -9.228 1.00 23.55 O ATOM 651 CB ARG A 41 6.993 -2.286 -8.282 1.00 20.24 C ATOM 652 CG ARG A 41 6.969 -0.755 -8.266 1.00 13.02 C ATOM 653 CD ARG A 41 6.577 -0.158 -9.615 1.00 11.34 C ATOM 654 NE ARG A 41 6.601 1.306 -9.585 1.00 72.50 N ATOM 655 CZ ARG A 41 5.721 2.072 -10.173 1.00 55.42 C ATOM 656 NH1 ARG A 41 4.804 1.561 -10.930 1.00 54.25 N ATOM 657 NH2 ARG A 41 5.787 3.355 -10.032 1.00 22.51 N ATOM 0 H ARG A 41 4.914 -1.870 -6.932 1.00 14.33 H new ATOM 0 HA ARG A 41 5.385 -2.796 -9.639 1.00 50.31 H new ATOM 0 HB2 ARG A 41 7.345 -2.641 -7.313 1.00 20.24 H new ATOM 0 HB3 ARG A 41 7.718 -2.617 -9.025 1.00 20.24 H new ATOM 0 HG2 ARG A 41 6.267 -0.415 -7.505 1.00 13.02 H new ATOM 0 HG3 ARG A 41 7.953 -0.383 -7.981 1.00 13.02 H new ATOM 0 HD2 ARG A 41 7.260 -0.518 -10.385 1.00 11.34 H new ATOM 0 HD3 ARG A 41 5.579 -0.500 -9.889 1.00 11.34 H new ATOM 0 HE ARG A 41 7.356 1.758 -9.070 1.00 72.50 H new ATOM 0 HH11 ARG A 41 4.764 0.552 -11.072 1.00 54.25 H new ATOM 0 HH12 ARG A 41 4.122 2.168 -11.385 1.00 54.25 H new ATOM 0 HH21 ARG A 41 6.525 3.768 -9.462 1.00 22.51 H new ATOM 0 HH22 ARG A 41 5.101 3.954 -10.490 1.00 22.51 H new ATOM 671 N ASN A 42 5.866 -4.822 -7.033 1.00 74.43 N ATOM 672 CA ASN A 42 5.997 -6.230 -6.619 1.00 72.22 C ATOM 673 C ASN A 42 4.861 -6.651 -5.670 1.00 23.12 C ATOM 674 O ASN A 42 4.566 -5.962 -4.694 1.00 13.33 O ATOM 675 CB ASN A 42 7.355 -6.456 -5.943 1.00 24.43 C ATOM 676 CG ASN A 42 8.515 -6.261 -6.903 1.00 41.12 C ATOM 677 OD1 ASN A 42 8.995 -5.153 -7.101 1.00 31.40 O ATOM 678 ND2 ASN A 42 8.987 -7.341 -7.500 1.00 64.40 N ATOM 0 H ASN A 42 5.895 -4.157 -6.260 1.00 74.43 H new ATOM 0 HA ASN A 42 5.930 -6.847 -7.515 1.00 72.22 H new ATOM 0 HB2 ASN A 42 7.460 -5.767 -5.105 1.00 24.43 H new ATOM 0 HB3 ASN A 42 7.391 -7.465 -5.533 1.00 24.43 H new ATOM 0 HD21 ASN A 42 9.773 -7.264 -8.146 1.00 64.40 H new ATOM 0 HD22 ASN A 42 8.566 -8.251 -7.315 1.00 64.40 H new ATOM 685 N VAL A 43 4.234 -7.790 -5.966 1.00 35.12 N ATOM 686 CA VAL A 43 3.104 -8.300 -5.172 1.00 64.43 C ATOM 687 C VAL A 43 3.552 -9.090 -3.918 1.00 74.50 C ATOM 688 O VAL A 43 2.805 -9.208 -2.947 1.00 13.40 O ATOM 689 CB VAL A 43 2.193 -9.203 -6.051 1.00 41.42 C ATOM 690 CG1 VAL A 43 2.967 -10.415 -6.578 1.00 31.13 C ATOM 691 CG2 VAL A 43 0.944 -9.641 -5.284 1.00 34.15 C ATOM 0 H VAL A 43 4.488 -8.384 -6.755 1.00 35.12 H new ATOM 0 HA VAL A 43 2.551 -7.426 -4.826 1.00 64.43 H new ATOM 0 HB VAL A 43 1.867 -8.614 -6.908 1.00 41.42 H new ATOM 0 HG11 VAL A 43 2.307 -11.030 -7.190 1.00 31.13 H new ATOM 0 HG12 VAL A 43 3.809 -10.075 -7.181 1.00 31.13 H new ATOM 0 HG13 VAL A 43 3.337 -11.004 -5.738 1.00 31.13 H new ATOM 0 HG21 VAL A 43 0.326 -10.271 -5.924 1.00 34.15 H new ATOM 0 HG22 VAL A 43 1.240 -10.203 -4.398 1.00 34.15 H new ATOM 0 HG23 VAL A 43 0.375 -8.761 -4.983 1.00 34.15 H new ATOM 701 N VAL A 44 4.773 -9.623 -3.942 1.00 71.10 N ATOM 702 CA VAL A 44 5.270 -10.473 -2.848 1.00 55.43 C ATOM 703 C VAL A 44 6.119 -9.679 -1.835 1.00 74.34 C ATOM 704 O VAL A 44 6.815 -8.728 -2.202 1.00 63.31 O ATOM 705 CB VAL A 44 6.099 -11.662 -3.405 1.00 41.33 C ATOM 706 CG1 VAL A 44 7.349 -11.168 -4.136 1.00 31.12 C ATOM 707 CG2 VAL A 44 6.467 -12.649 -2.292 1.00 61.14 C ATOM 0 H VAL A 44 5.439 -9.485 -4.702 1.00 71.10 H new ATOM 0 HA VAL A 44 4.393 -10.856 -2.326 1.00 55.43 H new ATOM 0 HB VAL A 44 5.477 -12.191 -4.127 1.00 41.33 H new ATOM 0 HG11 VAL A 44 7.910 -12.022 -4.515 1.00 31.12 H new ATOM 0 HG12 VAL A 44 7.055 -10.528 -4.968 1.00 31.12 H new ATOM 0 HG13 VAL A 44 7.974 -10.601 -3.446 1.00 31.12 H new ATOM 0 HG21 VAL A 44 7.047 -13.471 -2.712 1.00 61.14 H new ATOM 0 HG22 VAL A 44 7.059 -12.137 -1.533 1.00 61.14 H new ATOM 0 HG23 VAL A 44 5.557 -13.042 -1.838 1.00 61.14 H new ATOM 717 N GLU A 45 6.053 -10.077 -0.563 1.00 33.34 N ATOM 718 CA GLU A 45 6.827 -9.422 0.503 1.00 34.24 C ATOM 719 C GLU A 45 8.093 -10.222 0.869 1.00 61.53 C ATOM 720 O GLU A 45 8.522 -11.115 0.136 1.00 42.45 O ATOM 721 CB GLU A 45 5.964 -9.230 1.766 1.00 72.14 C ATOM 722 CG GLU A 45 5.513 -10.530 2.436 1.00 12.55 C ATOM 723 CD GLU A 45 4.248 -11.113 1.826 1.00 1.13 C ATOM 724 OE1 GLU A 45 3.147 -10.738 2.279 1.00 72.22 O ATOM 725 OE2 GLU A 45 4.346 -11.950 0.902 1.00 44.12 O ATOM 0 H GLU A 45 5.471 -10.851 -0.242 1.00 33.34 H new ATOM 0 HA GLU A 45 7.134 -8.449 0.118 1.00 34.24 H new ATOM 0 HB2 GLU A 45 6.528 -8.641 2.489 1.00 72.14 H new ATOM 0 HB3 GLU A 45 5.081 -8.648 1.501 1.00 72.14 H new ATOM 0 HG2 GLU A 45 6.315 -11.265 2.364 1.00 12.55 H new ATOM 0 HG3 GLU A 45 5.345 -10.345 3.497 1.00 12.55 H new ATOM 732 N ASN A 46 8.691 -9.882 2.016 1.00 41.05 N ATOM 733 CA ASN A 46 9.879 -10.580 2.517 1.00 14.14 C ATOM 734 C ASN A 46 9.549 -12.026 2.942 1.00 25.44 C ATOM 735 O ASN A 46 8.888 -12.263 3.954 1.00 5.41 O ATOM 736 CB ASN A 46 10.504 -9.798 3.686 1.00 33.24 C ATOM 737 CG ASN A 46 9.515 -9.470 4.796 1.00 54.25 C ATOM 738 OD1 ASN A 46 8.327 -9.271 4.562 1.00 44.14 O ATOM 739 ND2 ASN A 46 10.003 -9.408 6.019 1.00 55.32 N ATOM 0 H ASN A 46 8.369 -9.124 2.617 1.00 41.05 H new ATOM 0 HA ASN A 46 10.603 -10.635 1.704 1.00 14.14 H new ATOM 0 HB2 ASN A 46 11.326 -10.379 4.103 1.00 33.24 H new ATOM 0 HB3 ASN A 46 10.931 -8.870 3.305 1.00 33.24 H new ATOM 0 HD21 ASN A 46 9.388 -9.190 6.803 1.00 55.32 H new ATOM 0 HD22 ASN A 46 10.995 -9.578 6.181 1.00 55.32 H new ATOM 746 N THR A 47 10.012 -12.988 2.151 1.00 43.14 N ATOM 747 CA THR A 47 9.745 -14.410 2.407 1.00 40.25 C ATOM 748 C THR A 47 10.747 -15.013 3.404 1.00 3.43 C ATOM 749 O THR A 47 11.933 -14.687 3.385 1.00 71.32 O ATOM 750 CB THR A 47 9.786 -15.232 1.095 1.00 4.33 C ATOM 751 OG1 THR A 47 11.076 -15.108 0.472 1.00 64.23 O ATOM 752 CG2 THR A 47 8.703 -14.768 0.124 1.00 34.10 C ATOM 0 H THR A 47 10.578 -12.813 1.321 1.00 43.14 H new ATOM 0 HA THR A 47 8.746 -14.462 2.840 1.00 40.25 H new ATOM 0 HB THR A 47 9.603 -16.277 1.347 1.00 4.33 H new ATOM 0 HG1 THR A 47 11.091 -15.633 -0.355 1.00 64.23 H new ATOM 0 HG21 THR A 47 8.754 -15.362 -0.789 1.00 34.10 H new ATOM 0 HG22 THR A 47 7.723 -14.894 0.585 1.00 34.10 H new ATOM 0 HG23 THR A 47 8.857 -13.716 -0.118 1.00 34.10 H new ATOM 760 N ALA A 48 10.265 -15.906 4.268 1.00 30.12 N ATOM 761 CA ALA A 48 11.113 -16.538 5.290 1.00 30.53 C ATOM 762 C ALA A 48 11.788 -17.819 4.768 1.00 34.24 C ATOM 763 O ALA A 48 12.695 -18.361 5.406 1.00 1.12 O ATOM 764 CB ALA A 48 10.287 -16.844 6.534 1.00 50.14 C ATOM 0 H ALA A 48 9.292 -16.211 4.284 1.00 30.12 H new ATOM 0 HA ALA A 48 11.906 -15.835 5.544 1.00 30.53 H new ATOM 0 HB1 ALA A 48 10.922 -17.312 7.286 1.00 50.14 H new ATOM 0 HB2 ALA A 48 9.874 -15.918 6.933 1.00 50.14 H new ATOM 0 HB3 ALA A 48 9.474 -17.521 6.273 1.00 50.14 H new ATOM 770 N ASN A 49 11.341 -18.296 3.609 1.00 20.20 N ATOM 771 CA ASN A 49 11.908 -19.498 2.988 1.00 70.33 C ATOM 772 C ASN A 49 11.861 -19.400 1.450 1.00 14.30 C ATOM 773 O ASN A 49 10.817 -19.636 0.837 1.00 63.23 O ATOM 774 CB ASN A 49 11.151 -20.746 3.467 1.00 4.24 C ATOM 775 CG ASN A 49 11.709 -22.035 2.888 1.00 23.53 C ATOM 776 OD1 ASN A 49 12.899 -22.150 2.613 1.00 75.23 O ATOM 777 ND2 ASN A 49 10.856 -23.024 2.708 1.00 61.53 N ATOM 0 H ASN A 49 10.584 -17.868 3.076 1.00 20.20 H new ATOM 0 HA ASN A 49 12.952 -19.579 3.289 1.00 70.33 H new ATOM 0 HB2 ASN A 49 11.193 -20.795 4.555 1.00 4.24 H new ATOM 0 HB3 ASN A 49 10.100 -20.655 3.192 1.00 4.24 H new ATOM 0 HD21 ASN A 49 11.180 -23.915 2.331 1.00 61.53 H new ATOM 0 HD22 ASN A 49 9.872 -22.899 2.946 1.00 61.53 H new ATOM 784 N PRO A 50 12.978 -19.005 0.810 1.00 62.10 N ATOM 785 CA PRO A 50 13.070 -18.920 -0.658 1.00 33.14 C ATOM 786 C PRO A 50 13.136 -20.303 -1.334 1.00 1.13 C ATOM 787 O PRO A 50 13.356 -21.320 -0.673 1.00 2.03 O ATOM 788 CB PRO A 50 14.382 -18.138 -0.899 1.00 54.24 C ATOM 789 CG PRO A 50 14.798 -17.627 0.446 1.00 35.33 C ATOM 790 CD PRO A 50 14.234 -18.591 1.450 1.00 62.14 C ATOM 0 HA PRO A 50 12.189 -18.442 -1.085 1.00 33.14 H new ATOM 0 HB2 PRO A 50 15.149 -18.782 -1.328 1.00 54.24 H new ATOM 0 HB3 PRO A 50 14.226 -17.317 -1.599 1.00 54.24 H new ATOM 0 HG2 PRO A 50 15.884 -17.574 0.524 1.00 35.33 H new ATOM 0 HG3 PRO A 50 14.417 -16.620 0.615 1.00 35.33 H new ATOM 0 HD2 PRO A 50 14.901 -19.436 1.623 1.00 62.14 H new ATOM 0 HD3 PRO A 50 14.062 -18.118 2.417 1.00 62.14 H new ATOM 798 N HIS A 51 12.931 -20.327 -2.656 1.00 24.04 N ATOM 799 CA HIS A 51 13.009 -21.560 -3.469 1.00 22.11 C ATOM 800 C HIS A 51 11.819 -22.515 -3.232 1.00 22.45 C ATOM 801 O HIS A 51 11.603 -23.443 -4.013 1.00 34.32 O ATOM 802 CB HIS A 51 14.332 -22.312 -3.221 1.00 75.14 C ATOM 803 CG HIS A 51 15.561 -21.555 -3.635 1.00 31.30 C ATOM 804 ND1 HIS A 51 16.274 -21.850 -4.775 1.00 12.01 N ATOM 805 CD2 HIS A 51 16.214 -20.523 -3.047 1.00 61.43 C ATOM 806 CE1 HIS A 51 17.305 -21.037 -4.874 1.00 21.54 C ATOM 807 NE2 HIS A 51 17.295 -20.221 -3.840 1.00 11.33 N ATOM 0 H HIS A 51 12.706 -19.494 -3.199 1.00 24.04 H new ATOM 0 HA HIS A 51 12.967 -21.232 -4.508 1.00 22.11 H new ATOM 0 HB2 HIS A 51 14.407 -22.551 -2.160 1.00 75.14 H new ATOM 0 HB3 HIS A 51 14.304 -23.259 -3.760 1.00 75.14 H new ATOM 0 HD2 HIS A 51 15.937 -20.030 -2.127 1.00 61.43 H new ATOM 0 HE1 HIS A 51 18.036 -21.039 -5.669 1.00 21.54 H new ATOM 0 HE2 HIS A 51 17.978 -19.485 -3.658 1.00 11.33 H new ATOM 816 N PHE A 52 11.046 -22.287 -2.169 1.00 62.45 N ATOM 817 CA PHE A 52 9.943 -23.189 -1.809 1.00 62.52 C ATOM 818 C PHE A 52 8.635 -22.418 -1.561 1.00 43.12 C ATOM 819 O PHE A 52 8.488 -21.739 -0.542 1.00 50.54 O ATOM 820 CB PHE A 52 10.326 -24.009 -0.565 1.00 72.24 C ATOM 821 CG PHE A 52 9.296 -25.044 -0.165 1.00 53.05 C ATOM 822 CD1 PHE A 52 9.099 -26.182 -0.937 1.00 62.13 C ATOM 823 CD2 PHE A 52 8.526 -24.879 0.981 1.00 61.35 C ATOM 824 CE1 PHE A 52 8.157 -27.131 -0.575 1.00 74.51 C ATOM 825 CE2 PHE A 52 7.585 -25.823 1.346 1.00 0.22 C ATOM 826 CZ PHE A 52 7.400 -26.950 0.567 1.00 4.31 C ATOM 0 H PHE A 52 11.160 -21.490 -1.543 1.00 62.45 H new ATOM 0 HA PHE A 52 9.770 -23.863 -2.648 1.00 62.52 H new ATOM 0 HB2 PHE A 52 11.276 -24.511 -0.752 1.00 72.24 H new ATOM 0 HB3 PHE A 52 10.485 -23.328 0.271 1.00 72.24 H new ATOM 0 HD1 PHE A 52 9.688 -26.329 -1.831 1.00 62.13 H new ATOM 0 HD2 PHE A 52 8.665 -24.001 1.594 1.00 61.35 H new ATOM 0 HE1 PHE A 52 8.014 -28.011 -1.184 1.00 74.51 H new ATOM 0 HE2 PHE A 52 6.995 -25.680 2.239 1.00 0.22 H new ATOM 0 HZ PHE A 52 6.665 -27.688 0.851 1.00 4.31 H new ATOM 836 N VAL A 53 7.695 -22.542 -2.506 1.00 52.32 N ATOM 837 CA VAL A 53 6.366 -21.907 -2.420 1.00 51.23 C ATOM 838 C VAL A 53 6.429 -20.370 -2.548 1.00 11.45 C ATOM 839 O VAL A 53 7.278 -19.708 -1.953 1.00 12.24 O ATOM 840 CB VAL A 53 5.621 -22.293 -1.112 1.00 1.43 C ATOM 841 CG1 VAL A 53 4.251 -21.615 -1.033 1.00 34.12 C ATOM 842 CG2 VAL A 53 5.480 -23.812 -0.999 1.00 62.45 C ATOM 0 H VAL A 53 7.832 -23.087 -3.357 1.00 52.32 H new ATOM 0 HA VAL A 53 5.804 -22.292 -3.271 1.00 51.23 H new ATOM 0 HB VAL A 53 6.217 -21.939 -0.271 1.00 1.43 H new ATOM 0 HG11 VAL A 53 3.755 -21.905 -0.107 1.00 34.12 H new ATOM 0 HG12 VAL A 53 4.379 -20.533 -1.053 1.00 34.12 H new ATOM 0 HG13 VAL A 53 3.643 -21.924 -1.883 1.00 34.12 H new ATOM 0 HG21 VAL A 53 4.956 -24.061 -0.076 1.00 62.45 H new ATOM 0 HG22 VAL A 53 4.914 -24.189 -1.851 1.00 62.45 H new ATOM 0 HG23 VAL A 53 6.469 -24.269 -0.989 1.00 62.45 H new ATOM 852 N ARG A 54 5.511 -19.809 -3.331 1.00 53.42 N ATOM 853 CA ARG A 54 5.433 -18.358 -3.536 1.00 41.10 C ATOM 854 C ARG A 54 3.990 -17.931 -3.841 1.00 43.40 C ATOM 855 O ARG A 54 3.216 -18.699 -4.415 1.00 24.25 O ATOM 856 CB ARG A 54 6.369 -17.907 -4.675 1.00 44.21 C ATOM 857 CG ARG A 54 6.047 -18.498 -6.049 1.00 11.45 C ATOM 858 CD ARG A 54 6.381 -19.986 -6.137 1.00 65.53 C ATOM 859 NE ARG A 54 6.064 -20.543 -7.448 1.00 74.20 N ATOM 860 CZ ARG A 54 6.205 -21.798 -7.770 1.00 62.13 C ATOM 861 NH1 ARG A 54 6.644 -22.661 -6.910 1.00 52.25 N ATOM 862 NH2 ARG A 54 5.892 -22.189 -8.959 1.00 2.34 N ATOM 0 H ARG A 54 4.803 -20.339 -3.840 1.00 53.42 H new ATOM 0 HA ARG A 54 5.756 -17.875 -2.614 1.00 41.10 H new ATOM 0 HB2 ARG A 54 6.332 -16.820 -4.746 1.00 44.21 H new ATOM 0 HB3 ARG A 54 7.392 -18.175 -4.412 1.00 44.21 H new ATOM 0 HG2 ARG A 54 4.988 -18.353 -6.265 1.00 11.45 H new ATOM 0 HG3 ARG A 54 6.605 -17.958 -6.814 1.00 11.45 H new ATOM 0 HD2 ARG A 54 7.441 -20.132 -5.928 1.00 65.53 H new ATOM 0 HD3 ARG A 54 5.827 -20.527 -5.370 1.00 65.53 H new ATOM 0 HE ARG A 54 5.708 -19.907 -8.161 1.00 74.20 H new ATOM 0 HH11 ARG A 54 6.885 -22.362 -5.965 1.00 52.25 H new ATOM 0 HH12 ARG A 54 6.749 -23.640 -7.178 1.00 52.25 H new ATOM 0 HH21 ARG A 54 5.537 -21.518 -9.640 1.00 2.34 H new ATOM 0 HH22 ARG A 54 6.000 -23.170 -9.218 1.00 2.34 H new ATOM 876 N ARG A 55 3.629 -16.708 -3.463 1.00 60.41 N ATOM 877 CA ARG A 55 2.255 -16.220 -3.641 1.00 64.44 C ATOM 878 C ARG A 55 2.202 -15.060 -4.652 1.00 14.43 C ATOM 879 O ARG A 55 3.052 -14.170 -4.634 1.00 15.22 O ATOM 880 CB ARG A 55 1.682 -15.785 -2.286 1.00 22.25 C ATOM 881 CG ARG A 55 0.158 -15.717 -2.256 1.00 51.35 C ATOM 882 CD ARG A 55 -0.370 -15.479 -0.844 1.00 41.24 C ATOM 883 NE ARG A 55 -1.802 -15.756 -0.740 1.00 63.30 N ATOM 884 CZ ARG A 55 -2.438 -15.902 0.389 1.00 15.32 C ATOM 885 NH1 ARG A 55 -1.809 -15.815 1.518 1.00 53.23 N ATOM 886 NH2 ARG A 55 -3.702 -16.161 0.385 1.00 1.44 N ATOM 0 H ARG A 55 4.263 -16.035 -3.032 1.00 60.41 H new ATOM 0 HA ARG A 55 1.648 -17.032 -4.042 1.00 64.44 H new ATOM 0 HB2 ARG A 55 2.021 -16.481 -1.518 1.00 22.25 H new ATOM 0 HB3 ARG A 55 2.085 -14.806 -2.029 1.00 22.25 H new ATOM 0 HG2 ARG A 55 -0.183 -14.916 -2.912 1.00 51.35 H new ATOM 0 HG3 ARG A 55 -0.255 -16.647 -2.647 1.00 51.35 H new ATOM 0 HD2 ARG A 55 0.173 -16.112 -0.142 1.00 41.24 H new ATOM 0 HD3 ARG A 55 -0.179 -14.446 -0.555 1.00 41.24 H new ATOM 0 HE ARG A 55 -2.337 -15.840 -1.604 1.00 63.30 H new ATOM 0 HH11 ARG A 55 -0.806 -15.631 1.530 1.00 53.23 H new ATOM 0 HH12 ARG A 55 -2.317 -15.931 2.395 1.00 53.23 H new ATOM 0 HH21 ARG A 55 -4.201 -16.251 -0.500 1.00 1.44 H new ATOM 0 HH22 ARG A 55 -4.202 -16.276 1.267 1.00 1.44 H new ATOM 900 N ASN A 56 1.196 -15.075 -5.529 1.00 51.14 N ATOM 901 CA ASN A 56 1.092 -14.080 -6.612 1.00 23.10 C ATOM 902 C ASN A 56 -0.170 -13.201 -6.498 1.00 72.10 C ATOM 903 O ASN A 56 -0.443 -12.380 -7.377 1.00 4.00 O ATOM 904 CB ASN A 56 1.111 -14.795 -7.973 1.00 2.40 C ATOM 905 CG ASN A 56 0.053 -15.887 -8.081 1.00 72.13 C ATOM 906 OD1 ASN A 56 -0.998 -15.822 -7.453 1.00 14.34 O ATOM 907 ND2 ASN A 56 0.315 -16.901 -8.883 1.00 12.12 N ATOM 0 H ASN A 56 0.441 -15.761 -5.515 1.00 51.14 H new ATOM 0 HA ASN A 56 1.951 -13.415 -6.522 1.00 23.10 H new ATOM 0 HB2 ASN A 56 0.953 -14.063 -8.765 1.00 2.40 H new ATOM 0 HB3 ASN A 56 2.096 -15.233 -8.135 1.00 2.40 H new ATOM 0 HD21 ASN A 56 -0.364 -17.654 -8.992 1.00 12.12 H new ATOM 0 HD22 ASN A 56 1.197 -16.932 -9.395 1.00 12.12 H new ATOM 914 N ILE A 57 -0.921 -13.359 -5.413 1.00 25.01 N ATOM 915 CA ILE A 57 -2.180 -12.622 -5.227 1.00 31.45 C ATOM 916 C ILE A 57 -2.091 -11.613 -4.066 1.00 55.20 C ATOM 917 O ILE A 57 -1.464 -11.877 -3.040 1.00 64.32 O ATOM 918 CB ILE A 57 -3.371 -13.592 -4.980 1.00 63.52 C ATOM 919 CG1 ILE A 57 -4.694 -12.812 -4.823 1.00 60.44 C ATOM 920 CG2 ILE A 57 -3.109 -14.468 -3.753 1.00 44.31 C ATOM 921 CD1 ILE A 57 -5.903 -13.690 -4.561 1.00 21.20 C ATOM 0 H ILE A 57 -0.686 -13.989 -4.646 1.00 25.01 H new ATOM 0 HA ILE A 57 -2.354 -12.070 -6.151 1.00 31.45 H new ATOM 0 HB ILE A 57 -3.464 -14.242 -5.850 1.00 63.52 H new ATOM 0 HG12 ILE A 57 -4.589 -12.102 -4.003 1.00 60.44 H new ATOM 0 HG13 ILE A 57 -4.870 -12.230 -5.728 1.00 60.44 H new ATOM 0 HG21 ILE A 57 -3.954 -15.139 -3.598 1.00 44.31 H new ATOM 0 HG22 ILE A 57 -2.204 -15.055 -3.911 1.00 44.31 H new ATOM 0 HG23 ILE A 57 -2.982 -13.835 -2.875 1.00 44.31 H new ATOM 0 HD11 ILE A 57 -6.791 -13.066 -4.463 1.00 21.20 H new ATOM 0 HD12 ILE A 57 -6.036 -14.383 -5.392 1.00 21.20 H new ATOM 0 HD13 ILE A 57 -5.751 -14.253 -3.640 1.00 21.20 H new ATOM 933 N ILE A 58 -2.726 -10.455 -4.245 1.00 70.20 N ATOM 934 CA ILE A 58 -2.778 -9.419 -3.209 1.00 53.11 C ATOM 935 C ILE A 58 -3.865 -9.734 -2.162 1.00 72.13 C ATOM 936 O ILE A 58 -5.008 -10.031 -2.514 1.00 32.42 O ATOM 937 CB ILE A 58 -3.068 -8.028 -3.835 1.00 24.53 C ATOM 938 CG1 ILE A 58 -2.020 -7.696 -4.911 1.00 44.52 C ATOM 939 CG2 ILE A 58 -3.103 -6.943 -2.757 1.00 10.22 C ATOM 940 CD1 ILE A 58 -2.277 -6.394 -5.641 1.00 12.30 C ATOM 0 H ILE A 58 -3.216 -10.208 -5.105 1.00 70.20 H new ATOM 0 HA ILE A 58 -1.804 -9.402 -2.719 1.00 53.11 H new ATOM 0 HB ILE A 58 -4.049 -8.062 -4.309 1.00 24.53 H new ATOM 0 HG12 ILE A 58 -1.036 -7.650 -4.444 1.00 44.52 H new ATOM 0 HG13 ILE A 58 -1.990 -8.508 -5.637 1.00 44.52 H new ATOM 0 HG21 ILE A 58 -3.308 -5.977 -3.219 1.00 10.22 H new ATOM 0 HG22 ILE A 58 -3.886 -7.173 -2.035 1.00 10.22 H new ATOM 0 HG23 ILE A 58 -2.140 -6.905 -2.248 1.00 10.22 H new ATOM 0 HD11 ILE A 58 -1.495 -6.232 -6.382 1.00 12.30 H new ATOM 0 HD12 ILE A 58 -3.245 -6.441 -6.139 1.00 12.30 H new ATOM 0 HD13 ILE A 58 -2.276 -5.570 -4.927 1.00 12.30 H new ATOM 952 N THR A 59 -3.507 -9.678 -0.879 1.00 41.12 N ATOM 953 CA THR A 59 -4.475 -9.908 0.205 1.00 23.35 C ATOM 954 C THR A 59 -4.140 -9.072 1.448 1.00 11.01 C ATOM 955 O THR A 59 -3.037 -8.533 1.569 1.00 71.41 O ATOM 956 CB THR A 59 -4.545 -11.399 0.615 1.00 54.52 C ATOM 957 OG1 THR A 59 -5.549 -11.584 1.627 1.00 4.43 O ATOM 958 CG2 THR A 59 -3.193 -11.895 1.126 1.00 43.01 C ATOM 0 H THR A 59 -2.559 -9.477 -0.561 1.00 41.12 H new ATOM 0 HA THR A 59 -5.444 -9.602 -0.189 1.00 23.35 H new ATOM 0 HB THR A 59 -4.809 -11.981 -0.268 1.00 54.52 H new ATOM 0 HG1 THR A 59 -5.588 -12.530 1.880 1.00 4.43 H new ATOM 0 HG21 THR A 59 -3.273 -12.945 1.406 1.00 43.01 H new ATOM 0 HG22 THR A 59 -2.445 -11.785 0.341 1.00 43.01 H new ATOM 0 HG23 THR A 59 -2.895 -11.309 1.996 1.00 43.01 H new ATOM 966 N ARG A 60 -5.091 -8.984 2.375 1.00 55.44 N ATOM 967 CA ARG A 60 -4.910 -8.198 3.603 1.00 24.53 C ATOM 968 C ARG A 60 -3.800 -8.788 4.487 1.00 41.44 C ATOM 969 O ARG A 60 -3.743 -9.999 4.710 1.00 51.20 O ATOM 970 CB ARG A 60 -6.222 -8.126 4.395 1.00 70.00 C ATOM 971 CG ARG A 60 -6.123 -7.300 5.675 1.00 61.32 C ATOM 972 CD ARG A 60 -7.453 -7.253 6.416 1.00 61.23 C ATOM 973 NE ARG A 60 -7.889 -8.579 6.852 1.00 4.23 N ATOM 974 CZ ARG A 60 -9.086 -9.066 6.649 1.00 42.14 C ATOM 975 NH1 ARG A 60 -9.955 -8.413 5.948 1.00 2.41 N ATOM 976 NH2 ARG A 60 -9.402 -10.221 7.133 1.00 72.33 N ATOM 0 H ARG A 60 -5.997 -9.446 2.303 1.00 55.44 H new ATOM 0 HA ARG A 60 -4.614 -7.191 3.308 1.00 24.53 H new ATOM 0 HB2 ARG A 60 -6.997 -7.701 3.758 1.00 70.00 H new ATOM 0 HB3 ARG A 60 -6.538 -9.138 4.650 1.00 70.00 H new ATOM 0 HG2 ARG A 60 -5.358 -7.725 6.325 1.00 61.32 H new ATOM 0 HG3 ARG A 60 -5.806 -6.286 5.431 1.00 61.32 H new ATOM 0 HD2 ARG A 60 -7.361 -6.599 7.283 1.00 61.23 H new ATOM 0 HD3 ARG A 60 -8.213 -6.817 5.768 1.00 61.23 H new ATOM 0 HE ARG A 60 -7.215 -9.163 7.347 1.00 4.23 H new ATOM 0 HH11 ARG A 60 -9.710 -7.508 5.546 1.00 2.41 H new ATOM 0 HH12 ARG A 60 -10.885 -8.803 5.797 1.00 2.41 H new ATOM 0 HH21 ARG A 60 -8.719 -10.752 7.673 1.00 72.33 H new ATOM 0 HH22 ARG A 60 -10.335 -10.602 6.976 1.00 72.33 H new ATOM 990 N GLY A 61 -2.924 -7.921 4.990 1.00 43.33 N ATOM 991 CA GLY A 61 -1.798 -8.363 5.805 1.00 2.14 C ATOM 992 C GLY A 61 -0.497 -8.434 5.012 1.00 73.43 C ATOM 993 O GLY A 61 0.591 -8.298 5.575 1.00 22.43 O ATOM 0 H GLY A 61 -2.973 -6.912 4.848 1.00 43.33 H new ATOM 0 HA2 GLY A 61 -1.671 -7.680 6.645 1.00 2.14 H new ATOM 0 HA3 GLY A 61 -2.019 -9.345 6.223 1.00 2.14 H new ATOM 997 N ALA A 62 -0.613 -8.636 3.698 1.00 14.40 N ATOM 998 CA ALA A 62 0.554 -8.739 2.813 1.00 31.13 C ATOM 999 C ALA A 62 1.243 -7.379 2.616 1.00 75.41 C ATOM 1000 O ALA A 62 0.627 -6.328 2.784 1.00 43.23 O ATOM 1001 CB ALA A 62 0.133 -9.313 1.466 1.00 41.35 C ATOM 0 H ALA A 62 -1.508 -8.732 3.219 1.00 14.40 H new ATOM 0 HA ALA A 62 1.274 -9.407 3.286 1.00 31.13 H new ATOM 0 HB1 ALA A 62 1.003 -9.387 0.814 1.00 41.35 H new ATOM 0 HB2 ALA A 62 -0.297 -10.304 1.611 1.00 41.35 H new ATOM 0 HB3 ALA A 62 -0.609 -8.659 1.008 1.00 41.35 H new ATOM 1007 N VAL A 63 2.523 -7.408 2.254 1.00 73.51 N ATOM 1008 CA VAL A 63 3.290 -6.175 2.025 1.00 12.44 C ATOM 1009 C VAL A 63 3.805 -6.096 0.577 1.00 44.50 C ATOM 1010 O VAL A 63 4.646 -6.888 0.163 1.00 1.13 O ATOM 1011 CB VAL A 63 4.492 -6.064 2.999 1.00 23.44 C ATOM 1012 CG1 VAL A 63 5.236 -4.745 2.795 1.00 21.13 C ATOM 1013 CG2 VAL A 63 4.034 -6.213 4.450 1.00 62.05 C ATOM 0 H VAL A 63 3.055 -8.267 2.112 1.00 73.51 H new ATOM 0 HA VAL A 63 2.608 -5.345 2.207 1.00 12.44 H new ATOM 0 HB VAL A 63 5.182 -6.879 2.779 1.00 23.44 H new ATOM 0 HG11 VAL A 63 6.075 -4.689 3.489 1.00 21.13 H new ATOM 0 HG12 VAL A 63 5.607 -4.691 1.772 1.00 21.13 H new ATOM 0 HG13 VAL A 63 4.557 -3.912 2.979 1.00 21.13 H new ATOM 0 HG21 VAL A 63 4.895 -6.132 5.113 1.00 62.05 H new ATOM 0 HG22 VAL A 63 3.317 -5.427 4.688 1.00 62.05 H new ATOM 0 HG23 VAL A 63 3.563 -7.187 4.585 1.00 62.05 H new ATOM 1023 N VAL A 64 3.302 -5.125 -0.184 1.00 32.22 N ATOM 1024 CA VAL A 64 3.681 -4.968 -1.595 1.00 1.24 C ATOM 1025 C VAL A 64 4.673 -3.806 -1.801 1.00 64.23 C ATOM 1026 O VAL A 64 4.716 -2.860 -1.010 1.00 74.43 O ATOM 1027 CB VAL A 64 2.430 -4.727 -2.481 1.00 62.12 C ATOM 1028 CG1 VAL A 64 1.477 -5.919 -2.415 1.00 14.21 C ATOM 1029 CG2 VAL A 64 1.713 -3.437 -2.077 1.00 14.32 C ATOM 0 H VAL A 64 2.631 -4.433 0.149 1.00 32.22 H new ATOM 0 HA VAL A 64 4.168 -5.897 -1.891 1.00 1.24 H new ATOM 0 HB VAL A 64 2.766 -4.618 -3.512 1.00 62.12 H new ATOM 0 HG11 VAL A 64 0.608 -5.726 -3.044 1.00 14.21 H new ATOM 0 HG12 VAL A 64 1.989 -6.814 -2.768 1.00 14.21 H new ATOM 0 HG13 VAL A 64 1.153 -6.069 -1.385 1.00 14.21 H new ATOM 0 HG21 VAL A 64 0.840 -3.291 -2.713 1.00 14.32 H new ATOM 0 HG22 VAL A 64 1.396 -3.507 -1.036 1.00 14.32 H new ATOM 0 HG23 VAL A 64 2.392 -2.592 -2.193 1.00 14.32 H new ATOM 1039 N GLU A 65 5.471 -3.879 -2.865 1.00 61.14 N ATOM 1040 CA GLU A 65 6.423 -2.807 -3.189 1.00 0.44 C ATOM 1041 C GLU A 65 5.797 -1.799 -4.164 1.00 70.24 C ATOM 1042 O GLU A 65 5.280 -2.178 -5.213 1.00 13.32 O ATOM 1043 CB GLU A 65 7.717 -3.384 -3.785 1.00 73.32 C ATOM 1044 CG GLU A 65 8.754 -2.320 -4.138 1.00 73.25 C ATOM 1045 CD GLU A 65 10.086 -2.912 -4.575 1.00 3.44 C ATOM 1046 OE1 GLU A 65 10.858 -3.347 -3.696 1.00 1.11 O ATOM 1047 OE2 GLU A 65 10.363 -2.949 -5.797 1.00 51.22 O ATOM 0 H GLU A 65 5.481 -4.663 -3.517 1.00 61.14 H new ATOM 0 HA GLU A 65 6.670 -2.289 -2.262 1.00 0.44 H new ATOM 0 HB2 GLU A 65 8.155 -4.084 -3.073 1.00 73.32 H new ATOM 0 HB3 GLU A 65 7.472 -3.953 -4.682 1.00 73.32 H new ATOM 0 HG2 GLU A 65 8.363 -1.690 -4.937 1.00 73.25 H new ATOM 0 HG3 GLU A 65 8.915 -1.676 -3.274 1.00 73.25 H new ATOM 1054 N THR A 66 5.842 -0.516 -3.809 1.00 4.44 N ATOM 1055 CA THR A 66 5.281 0.558 -4.644 1.00 1.34 C ATOM 1056 C THR A 66 6.305 1.680 -4.844 1.00 74.40 C ATOM 1057 O THR A 66 7.391 1.648 -4.269 1.00 22.02 O ATOM 1058 CB THR A 66 4.009 1.177 -4.009 1.00 50.14 C ATOM 1059 OG1 THR A 66 4.354 1.888 -2.810 1.00 44.42 O ATOM 1060 CG2 THR A 66 2.967 0.108 -3.692 1.00 41.12 C ATOM 0 H THR A 66 6.265 -0.187 -2.941 1.00 4.44 H new ATOM 0 HA THR A 66 5.022 0.104 -5.601 1.00 1.34 H new ATOM 0 HB THR A 66 3.577 1.868 -4.733 1.00 50.14 H new ATOM 0 HG1 THR A 66 4.921 1.322 -2.246 1.00 44.42 H new ATOM 0 HG21 THR A 66 2.089 0.576 -3.248 1.00 41.12 H new ATOM 0 HG22 THR A 66 2.680 -0.404 -4.610 1.00 41.12 H new ATOM 0 HG23 THR A 66 3.387 -0.613 -2.991 1.00 41.12 H new ATOM 1068 N ASN A 67 5.948 2.682 -5.646 1.00 25.34 N ATOM 1069 CA ASN A 67 6.827 3.839 -5.880 1.00 11.21 C ATOM 1070 C ASN A 67 7.043 4.665 -4.596 1.00 13.12 C ATOM 1071 O ASN A 67 8.071 5.324 -4.436 1.00 23.52 O ATOM 1072 CB ASN A 67 6.246 4.720 -6.992 1.00 51.12 C ATOM 1073 CG ASN A 67 4.822 5.144 -6.703 1.00 75.45 C ATOM 1074 OD1 ASN A 67 3.878 4.433 -7.021 1.00 41.43 O ATOM 1075 ND2 ASN A 67 4.655 6.300 -6.096 1.00 4.31 N ATOM 0 H ASN A 67 5.060 2.721 -6.146 1.00 25.34 H new ATOM 0 HA ASN A 67 7.801 3.461 -6.190 1.00 11.21 H new ATOM 0 HB2 ASN A 67 6.869 5.606 -7.114 1.00 51.12 H new ATOM 0 HB3 ASN A 67 6.277 4.177 -7.936 1.00 51.12 H new ATOM 0 HD21 ASN A 67 3.715 6.629 -5.876 1.00 4.31 H new ATOM 0 HD22 ASN A 67 5.466 6.866 -5.846 1.00 4.31 H new ATOM 1082 N LEU A 68 6.069 4.627 -3.685 1.00 53.01 N ATOM 1083 CA LEU A 68 6.192 5.314 -2.390 1.00 73.40 C ATOM 1084 C LEU A 68 7.000 4.471 -1.391 1.00 73.23 C ATOM 1085 O LEU A 68 7.573 4.995 -0.433 1.00 11.41 O ATOM 1086 CB LEU A 68 4.799 5.614 -1.807 1.00 31.44 C ATOM 1087 CG LEU A 68 3.929 6.577 -2.634 1.00 24.42 C ATOM 1088 CD1 LEU A 68 2.558 6.767 -1.984 1.00 23.43 C ATOM 1089 CD2 LEU A 68 4.631 7.922 -2.808 1.00 62.23 C ATOM 0 H LEU A 68 5.188 4.131 -3.816 1.00 53.01 H new ATOM 0 HA LEU A 68 6.721 6.252 -2.560 1.00 73.40 H new ATOM 0 HB2 LEU A 68 4.261 4.673 -1.693 1.00 31.44 H new ATOM 0 HB3 LEU A 68 4.924 6.032 -0.808 1.00 31.44 H new ATOM 0 HG LEU A 68 3.780 6.136 -3.620 1.00 24.42 H new ATOM 0 HD11 LEU A 68 1.961 7.452 -2.587 1.00 23.43 H new ATOM 0 HD12 LEU A 68 2.050 5.805 -1.918 1.00 23.43 H new ATOM 0 HD13 LEU A 68 2.684 7.180 -0.983 1.00 23.43 H new ATOM 0 HD21 LEU A 68 4.000 8.589 -3.395 1.00 62.23 H new ATOM 0 HD22 LEU A 68 4.815 8.365 -1.830 1.00 62.23 H new ATOM 0 HD23 LEU A 68 5.580 7.773 -3.323 1.00 62.23 H new ATOM 1101 N GLY A 69 7.045 3.161 -1.627 1.00 11.44 N ATOM 1102 CA GLY A 69 7.738 2.244 -0.727 1.00 13.11 C ATOM 1103 C GLY A 69 6.951 0.960 -0.482 1.00 44.14 C ATOM 1104 O GLY A 69 6.164 0.535 -1.327 1.00 12.12 O ATOM 0 H GLY A 69 6.610 2.712 -2.433 1.00 11.44 H new ATOM 0 HA2 GLY A 69 8.712 1.995 -1.147 1.00 13.11 H new ATOM 0 HA3 GLY A 69 7.920 2.742 0.225 1.00 13.11 H new ATOM 1108 N ASN A 70 7.150 0.341 0.675 1.00 1.43 N ATOM 1109 CA ASN A 70 6.443 -0.897 1.019 1.00 63.22 C ATOM 1110 C ASN A 70 5.076 -0.593 1.649 1.00 32.41 C ATOM 1111 O ASN A 70 4.970 0.224 2.559 1.00 13.51 O ATOM 1112 CB ASN A 70 7.296 -1.737 1.971 1.00 55.14 C ATOM 1113 CG ASN A 70 8.640 -2.100 1.367 1.00 12.42 C ATOM 1114 OD1 ASN A 70 9.638 -2.191 2.070 1.00 33.31 O ATOM 1115 ND2 ASN A 70 8.682 -2.327 0.066 1.00 45.10 N ATOM 0 H ASN A 70 7.794 0.672 1.394 1.00 1.43 H new ATOM 0 HA ASN A 70 6.271 -1.463 0.103 1.00 63.22 H new ATOM 0 HB2 ASN A 70 7.453 -1.185 2.898 1.00 55.14 H new ATOM 0 HB3 ASN A 70 6.758 -2.649 2.230 1.00 55.14 H new ATOM 0 HD21 ASN A 70 9.563 -2.586 -0.378 1.00 45.10 H new ATOM 0 HD22 ASN A 70 7.834 -2.243 -0.494 1.00 45.10 H new ATOM 1122 N VAL A 71 4.033 -1.252 1.157 1.00 14.45 N ATOM 1123 CA VAL A 71 2.665 -0.994 1.615 1.00 53.54 C ATOM 1124 C VAL A 71 1.989 -2.269 2.145 1.00 34.13 C ATOM 1125 O VAL A 71 1.875 -3.264 1.430 1.00 42.22 O ATOM 1126 CB VAL A 71 1.805 -0.399 0.470 1.00 13.34 C ATOM 1127 CG1 VAL A 71 0.385 -0.093 0.942 1.00 73.42 C ATOM 1128 CG2 VAL A 71 2.467 0.854 -0.107 1.00 2.24 C ATOM 0 H VAL A 71 4.105 -1.972 0.438 1.00 14.45 H new ATOM 0 HA VAL A 71 2.735 -0.275 2.431 1.00 53.54 H new ATOM 0 HB VAL A 71 1.737 -1.148 -0.319 1.00 13.34 H new ATOM 0 HG11 VAL A 71 -0.191 0.323 0.116 1.00 73.42 H new ATOM 0 HG12 VAL A 71 -0.089 -1.011 1.289 1.00 73.42 H new ATOM 0 HG13 VAL A 71 0.420 0.628 1.759 1.00 73.42 H new ATOM 0 HG21 VAL A 71 1.848 1.256 -0.909 1.00 2.24 H new ATOM 0 HG22 VAL A 71 2.575 1.603 0.678 1.00 2.24 H new ATOM 0 HG23 VAL A 71 3.450 0.597 -0.502 1.00 2.24 H new ATOM 1138 N ARG A 72 1.543 -2.236 3.401 1.00 72.12 N ATOM 1139 CA ARG A 72 0.828 -3.366 3.998 1.00 32.01 C ATOM 1140 C ARG A 72 -0.676 -3.278 3.680 1.00 35.51 C ATOM 1141 O ARG A 72 -1.369 -2.383 4.165 1.00 15.24 O ATOM 1142 CB ARG A 72 1.051 -3.401 5.517 1.00 3.20 C ATOM 1143 CG ARG A 72 0.486 -4.646 6.194 1.00 44.22 C ATOM 1144 CD ARG A 72 0.738 -4.642 7.699 1.00 32.10 C ATOM 1145 NE ARG A 72 2.166 -4.657 8.024 1.00 5.34 N ATOM 1146 CZ ARG A 72 2.676 -4.163 9.122 1.00 43.52 C ATOM 1147 NH1 ARG A 72 1.922 -3.611 10.016 1.00 64.43 N ATOM 1148 NH2 ARG A 72 3.946 -4.236 9.339 1.00 72.44 N ATOM 0 H ARG A 72 1.664 -1.439 4.026 1.00 72.12 H new ATOM 0 HA ARG A 72 1.221 -4.288 3.569 1.00 32.01 H new ATOM 0 HB2 ARG A 72 2.120 -3.343 5.719 1.00 3.20 H new ATOM 0 HB3 ARG A 72 0.594 -2.517 5.962 1.00 3.20 H new ATOM 0 HG2 ARG A 72 -0.586 -4.706 6.006 1.00 44.22 H new ATOM 0 HG3 ARG A 72 0.937 -5.535 5.753 1.00 44.22 H new ATOM 0 HD2 ARG A 72 0.277 -3.758 8.140 1.00 32.10 H new ATOM 0 HD3 ARG A 72 0.256 -5.511 8.148 1.00 32.10 H new ATOM 0 HE ARG A 72 2.804 -5.080 7.350 1.00 5.34 H new ATOM 0 HH11 ARG A 72 0.914 -3.556 9.870 1.00 64.43 H new ATOM 0 HH12 ARG A 72 2.335 -3.230 10.867 1.00 64.43 H new ATOM 0 HH21 ARG A 72 4.556 -4.680 8.653 1.00 72.44 H new ATOM 0 HH22 ARG A 72 4.340 -3.849 10.197 1.00 72.44 H new ATOM 1162 N VAL A 73 -1.163 -4.210 2.869 1.00 42.31 N ATOM 1163 CA VAL A 73 -2.544 -4.184 2.370 1.00 33.53 C ATOM 1164 C VAL A 73 -3.583 -4.329 3.498 1.00 61.52 C ATOM 1165 O VAL A 73 -3.523 -5.261 4.301 1.00 15.12 O ATOM 1166 CB VAL A 73 -2.767 -5.302 1.321 1.00 45.43 C ATOM 1167 CG1 VAL A 73 -4.174 -5.224 0.726 1.00 1.00 C ATOM 1168 CG2 VAL A 73 -1.700 -5.235 0.226 1.00 25.21 C ATOM 0 H VAL A 73 -0.618 -5.005 2.536 1.00 42.31 H new ATOM 0 HA VAL A 73 -2.687 -3.207 1.907 1.00 33.53 H new ATOM 0 HB VAL A 73 -2.674 -6.264 1.825 1.00 45.43 H new ATOM 0 HG11 VAL A 73 -4.304 -6.020 -0.007 1.00 1.00 H new ATOM 0 HG12 VAL A 73 -4.912 -5.339 1.520 1.00 1.00 H new ATOM 0 HG13 VAL A 73 -4.311 -4.258 0.240 1.00 1.00 H new ATOM 0 HG21 VAL A 73 -1.874 -6.028 -0.501 1.00 25.21 H new ATOM 0 HG22 VAL A 73 -1.752 -4.268 -0.274 1.00 25.21 H new ATOM 0 HG23 VAL A 73 -0.713 -5.361 0.671 1.00 25.21 H new ATOM 1178 N THR A 74 -4.531 -3.397 3.548 1.00 13.00 N ATOM 1179 CA THR A 74 -5.613 -3.416 4.548 1.00 11.31 C ATOM 1180 C THR A 74 -6.934 -3.905 3.943 1.00 31.34 C ATOM 1181 O THR A 74 -7.750 -4.535 4.621 1.00 4.05 O ATOM 1182 CB THR A 74 -5.851 -2.012 5.144 1.00 65.52 C ATOM 1183 OG1 THR A 74 -6.171 -1.087 4.093 1.00 41.40 O ATOM 1184 CG2 THR A 74 -4.623 -1.521 5.904 1.00 25.02 C ATOM 0 H THR A 74 -4.578 -2.608 2.903 1.00 13.00 H new ATOM 0 HA THR A 74 -5.292 -4.103 5.331 1.00 11.31 H new ATOM 0 HB THR A 74 -6.684 -2.076 5.845 1.00 65.52 H new ATOM 0 HG1 THR A 74 -6.323 -0.197 4.475 1.00 41.40 H new ATOM 0 HG21 THR A 74 -4.820 -0.530 6.312 1.00 25.02 H new ATOM 0 HG22 THR A 74 -4.399 -2.211 6.718 1.00 25.02 H new ATOM 0 HG23 THR A 74 -3.771 -1.471 5.226 1.00 25.02 H new ATOM 1192 N SER A 75 -7.151 -3.594 2.669 1.00 24.03 N ATOM 1193 CA SER A 75 -8.395 -3.962 1.976 1.00 54.12 C ATOM 1194 C SER A 75 -8.251 -5.285 1.207 1.00 12.44 C ATOM 1195 O SER A 75 -7.213 -5.942 1.253 1.00 33.32 O ATOM 1196 CB SER A 75 -8.814 -2.837 1.015 1.00 63.44 C ATOM 1197 OG SER A 75 -10.045 -3.131 0.369 1.00 22.40 O ATOM 0 H SER A 75 -6.483 -3.087 2.088 1.00 24.03 H new ATOM 0 HA SER A 75 -9.167 -4.102 2.733 1.00 54.12 H new ATOM 0 HB2 SER A 75 -8.907 -1.902 1.567 1.00 63.44 H new ATOM 0 HB3 SER A 75 -8.036 -2.689 0.266 1.00 63.44 H new ATOM 0 HG SER A 75 -10.283 -2.395 -0.233 1.00 22.40 H new ATOM 1203 N ARG A 76 -9.310 -5.665 0.500 1.00 20.03 N ATOM 1204 CA ARG A 76 -9.328 -6.901 -0.289 1.00 63.31 C ATOM 1205 C ARG A 76 -9.626 -6.573 -1.766 1.00 40.02 C ATOM 1206 O ARG A 76 -10.620 -5.904 -2.060 1.00 42.52 O ATOM 1207 CB ARG A 76 -10.397 -7.861 0.273 1.00 21.44 C ATOM 1208 CG ARG A 76 -10.272 -9.305 -0.213 1.00 22.31 C ATOM 1209 CD ARG A 76 -9.098 -10.033 0.445 1.00 3.13 C ATOM 1210 NE ARG A 76 -8.983 -11.418 -0.013 1.00 4.44 N ATOM 1211 CZ ARG A 76 -8.672 -12.433 0.755 1.00 11.40 C ATOM 1212 NH1 ARG A 76 -8.490 -12.276 2.027 1.00 0.12 N ATOM 1213 NH2 ARG A 76 -8.566 -13.615 0.248 1.00 33.43 N ATOM 0 H ARG A 76 -10.178 -5.131 0.455 1.00 20.03 H new ATOM 0 HA ARG A 76 -8.353 -7.384 -0.227 1.00 63.31 H new ATOM 0 HB2 ARG A 76 -10.339 -7.851 1.361 1.00 21.44 H new ATOM 0 HB3 ARG A 76 -11.383 -7.484 0.003 1.00 21.44 H new ATOM 0 HG2 ARG A 76 -11.197 -9.841 0.002 1.00 22.31 H new ATOM 0 HG3 ARG A 76 -10.143 -9.313 -1.295 1.00 22.31 H new ATOM 0 HD2 ARG A 76 -8.173 -9.501 0.225 1.00 3.13 H new ATOM 0 HD3 ARG A 76 -9.224 -10.019 1.528 1.00 3.13 H new ATOM 0 HE ARG A 76 -9.157 -11.607 -1.000 1.00 4.44 H new ATOM 0 HH11 ARG A 76 -8.588 -11.351 2.446 1.00 0.12 H new ATOM 0 HH12 ARG A 76 -8.248 -13.077 2.610 1.00 0.12 H new ATOM 0 HH21 ARG A 76 -8.724 -13.758 -0.749 1.00 33.43 H new ATOM 0 HH22 ARG A 76 -8.324 -14.406 0.845 1.00 33.43 H new ATOM 1227 N PRO A 77 -8.770 -7.023 -2.715 1.00 24.11 N ATOM 1228 CA PRO A 77 -8.944 -6.720 -4.146 1.00 23.22 C ATOM 1229 C PRO A 77 -10.375 -6.954 -4.650 1.00 14.11 C ATOM 1230 O PRO A 77 -10.781 -8.084 -4.926 1.00 2.44 O ATOM 1231 CB PRO A 77 -7.969 -7.677 -4.837 1.00 44.14 C ATOM 1232 CG PRO A 77 -6.904 -7.915 -3.828 1.00 50.21 C ATOM 1233 CD PRO A 77 -7.571 -7.851 -2.474 1.00 3.12 C ATOM 0 HA PRO A 77 -8.754 -5.667 -4.352 1.00 23.22 H new ATOM 0 HB2 PRO A 77 -8.461 -8.607 -5.122 1.00 44.14 H new ATOM 0 HB3 PRO A 77 -7.562 -7.239 -5.748 1.00 44.14 H new ATOM 0 HG2 PRO A 77 -6.434 -8.886 -3.983 1.00 50.21 H new ATOM 0 HG3 PRO A 77 -6.118 -7.164 -3.909 1.00 50.21 H new ATOM 0 HD2 PRO A 77 -7.836 -8.844 -2.111 1.00 3.12 H new ATOM 0 HD3 PRO A 77 -6.917 -7.402 -1.726 1.00 3.12 H new ATOM 1241 N GLY A 78 -11.135 -5.873 -4.755 1.00 60.24 N ATOM 1242 CA GLY A 78 -12.510 -5.966 -5.216 1.00 41.44 C ATOM 1243 C GLY A 78 -13.406 -4.892 -4.610 1.00 64.11 C ATOM 1244 O GLY A 78 -14.385 -4.465 -5.223 1.00 41.44 O ATOM 0 H GLY A 78 -10.824 -4.928 -4.529 1.00 60.24 H new ATOM 0 HA2 GLY A 78 -12.531 -5.881 -6.302 1.00 41.44 H new ATOM 0 HA3 GLY A 78 -12.908 -6.949 -4.965 1.00 41.44 H new ATOM 1248 N GLN A 79 -13.060 -4.452 -3.399 1.00 74.51 N ATOM 1249 CA GLN A 79 -13.840 -3.435 -2.681 1.00 44.11 C ATOM 1250 C GLN A 79 -13.949 -2.134 -3.499 1.00 3.24 C ATOM 1251 O GLN A 79 -12.979 -1.387 -3.626 1.00 41.00 O ATOM 1252 CB GLN A 79 -13.199 -3.144 -1.313 1.00 3.01 C ATOM 1253 CG GLN A 79 -12.944 -4.392 -0.469 1.00 12.43 C ATOM 1254 CD GLN A 79 -14.213 -5.143 -0.109 1.00 14.42 C ATOM 1255 OE1 GLN A 79 -15.277 -4.554 0.054 1.00 34.43 O ATOM 1256 NE2 GLN A 79 -14.115 -6.453 0.002 1.00 41.54 N ATOM 0 H GLN A 79 -12.241 -4.784 -2.890 1.00 74.51 H new ATOM 0 HA GLN A 79 -14.846 -3.827 -2.531 1.00 44.11 H new ATOM 0 HB2 GLN A 79 -12.254 -2.624 -1.469 1.00 3.01 H new ATOM 0 HB3 GLN A 79 -13.847 -2.467 -0.756 1.00 3.01 H new ATOM 0 HG2 GLN A 79 -12.277 -5.060 -1.013 1.00 12.43 H new ATOM 0 HG3 GLN A 79 -12.429 -4.104 0.447 1.00 12.43 H new ATOM 0 HE21 GLN A 79 -13.215 -6.911 -0.140 1.00 41.54 H new ATOM 0 HE22 GLN A 79 -14.939 -7.009 0.230 1.00 41.54 H new ATOM 1265 N ASP A 80 -15.131 -1.893 -4.079 1.00 55.23 N ATOM 1266 CA ASP A 80 -15.380 -0.698 -4.905 1.00 22.04 C ATOM 1267 C ASP A 80 -14.392 -0.589 -6.082 1.00 1.41 C ATOM 1268 O ASP A 80 -14.197 0.493 -6.648 1.00 4.50 O ATOM 1269 CB ASP A 80 -15.324 0.571 -4.044 1.00 44.33 C ATOM 1270 CG ASP A 80 -16.378 0.568 -2.954 1.00 64.11 C ATOM 1271 OD1 ASP A 80 -17.578 0.450 -3.285 1.00 33.33 O ATOM 1272 OD2 ASP A 80 -16.015 0.673 -1.762 1.00 30.13 O ATOM 0 H ASP A 80 -15.937 -2.512 -3.992 1.00 55.23 H new ATOM 0 HA ASP A 80 -16.380 -0.801 -5.327 1.00 22.04 H new ATOM 0 HB2 ASP A 80 -14.336 0.658 -3.592 1.00 44.33 H new ATOM 0 HB3 ASP A 80 -15.463 1.446 -4.679 1.00 44.33 H new ATOM 1277 N GLY A 81 -13.792 -1.719 -6.460 1.00 45.41 N ATOM 1278 CA GLY A 81 -12.843 -1.738 -7.570 1.00 40.43 C ATOM 1279 C GLY A 81 -11.482 -1.126 -7.235 1.00 4.04 C ATOM 1280 O GLY A 81 -10.727 -0.763 -8.138 1.00 70.31 O ATOM 0 H GLY A 81 -13.946 -2.625 -6.017 1.00 45.41 H new ATOM 0 HA2 GLY A 81 -12.697 -2.769 -7.892 1.00 40.43 H new ATOM 0 HA3 GLY A 81 -13.275 -1.199 -8.413 1.00 40.43 H new ATOM 1284 N VAL A 82 -11.156 -1.017 -5.949 1.00 40.41 N ATOM 1285 CA VAL A 82 -9.873 -0.437 -5.525 1.00 45.10 C ATOM 1286 C VAL A 82 -9.263 -1.212 -4.336 1.00 51.41 C ATOM 1287 O VAL A 82 -9.945 -1.996 -3.673 1.00 73.22 O ATOM 1288 CB VAL A 82 -10.043 1.063 -5.147 1.00 42.33 C ATOM 1289 CG1 VAL A 82 -10.844 1.220 -3.854 1.00 73.14 C ATOM 1290 CG2 VAL A 82 -8.688 1.766 -5.048 1.00 44.13 C ATOM 0 H VAL A 82 -11.756 -1.320 -5.182 1.00 40.41 H new ATOM 0 HA VAL A 82 -9.189 -0.516 -6.370 1.00 45.10 H new ATOM 0 HB VAL A 82 -10.607 1.544 -5.946 1.00 42.33 H new ATOM 0 HG11 VAL A 82 -10.946 2.279 -3.616 1.00 73.14 H new ATOM 0 HG12 VAL A 82 -11.833 0.780 -3.983 1.00 73.14 H new ATOM 0 HG13 VAL A 82 -10.325 0.713 -3.040 1.00 73.14 H new ATOM 0 HG21 VAL A 82 -8.839 2.812 -4.783 1.00 44.13 H new ATOM 0 HG22 VAL A 82 -8.082 1.282 -4.283 1.00 44.13 H new ATOM 0 HG23 VAL A 82 -8.176 1.706 -6.008 1.00 44.13 H new ATOM 1300 N ILE A 83 -7.967 -1.005 -4.092 1.00 20.24 N ATOM 1301 CA ILE A 83 -7.260 -1.648 -2.973 1.00 32.44 C ATOM 1302 C ILE A 83 -6.648 -0.592 -2.032 1.00 61.20 C ATOM 1303 O ILE A 83 -6.175 0.444 -2.485 1.00 75.21 O ATOM 1304 CB ILE A 83 -6.131 -2.582 -3.494 1.00 62.32 C ATOM 1305 CG1 ILE A 83 -6.696 -3.600 -4.500 1.00 23.14 C ATOM 1306 CG2 ILE A 83 -5.433 -3.300 -2.336 1.00 54.51 C ATOM 1307 CD1 ILE A 83 -5.648 -4.509 -5.113 1.00 33.53 C ATOM 0 H ILE A 83 -7.379 -0.393 -4.657 1.00 20.24 H new ATOM 0 HA ILE A 83 -7.990 -2.241 -2.422 1.00 32.44 H new ATOM 0 HB ILE A 83 -5.390 -1.966 -4.003 1.00 62.32 H new ATOM 0 HG12 ILE A 83 -7.445 -4.213 -3.999 1.00 23.14 H new ATOM 0 HG13 ILE A 83 -7.207 -3.061 -5.298 1.00 23.14 H new ATOM 0 HG21 ILE A 83 -4.648 -3.946 -2.729 1.00 54.51 H new ATOM 0 HG22 ILE A 83 -4.994 -2.564 -1.663 1.00 54.51 H new ATOM 0 HG23 ILE A 83 -6.160 -3.902 -1.790 1.00 54.51 H new ATOM 0 HD11 ILE A 83 -6.126 -5.197 -5.810 1.00 33.53 H new ATOM 0 HD12 ILE A 83 -4.911 -3.907 -5.645 1.00 33.53 H new ATOM 0 HD13 ILE A 83 -5.153 -5.077 -4.325 1.00 33.53 H new ATOM 1319 N ASN A 84 -6.663 -0.859 -0.724 1.00 35.32 N ATOM 1320 CA ASN A 84 -6.091 0.064 0.273 1.00 12.40 C ATOM 1321 C ASN A 84 -4.954 -0.607 1.068 1.00 71.44 C ATOM 1322 O ASN A 84 -4.930 -1.831 1.223 1.00 13.41 O ATOM 1323 CB ASN A 84 -7.175 0.551 1.249 1.00 40.11 C ATOM 1324 CG ASN A 84 -8.272 1.372 0.584 1.00 33.31 C ATOM 1325 OD1 ASN A 84 -8.641 1.143 -0.563 1.00 13.33 O ATOM 1326 ND2 ASN A 84 -8.805 2.341 1.302 1.00 44.52 N ATOM 0 H ASN A 84 -7.065 -1.707 -0.325 1.00 35.32 H new ATOM 0 HA ASN A 84 -5.684 0.917 -0.270 1.00 12.40 H new ATOM 0 HB2 ASN A 84 -7.625 -0.313 1.738 1.00 40.11 H new ATOM 0 HB3 ASN A 84 -6.706 1.151 2.029 1.00 40.11 H new ATOM 0 HD21 ASN A 84 -9.544 2.922 0.906 1.00 44.52 H new ATOM 0 HD22 ASN A 84 -8.479 2.509 2.254 1.00 44.52 H new ATOM 1333 N GLY A 85 -4.019 0.204 1.568 1.00 44.01 N ATOM 1334 CA GLY A 85 -2.911 -0.308 2.375 1.00 43.44 C ATOM 1335 C GLY A 85 -2.223 0.781 3.200 1.00 3.11 C ATOM 1336 O GLY A 85 -2.588 1.950 3.114 1.00 2.53 O ATOM 0 H GLY A 85 -4.007 1.214 1.429 1.00 44.01 H new ATOM 0 HA2 GLY A 85 -3.284 -1.083 3.045 1.00 43.44 H new ATOM 0 HA3 GLY A 85 -2.178 -0.778 1.720 1.00 43.44 H new ATOM 1340 N VAL A 86 -1.225 0.400 4.005 1.00 74.41 N ATOM 1341 CA VAL A 86 -0.486 1.361 4.846 1.00 14.31 C ATOM 1342 C VAL A 86 0.996 1.438 4.436 1.00 50.54 C ATOM 1343 O VAL A 86 1.627 0.415 4.175 1.00 2.13 O ATOM 1344 CB VAL A 86 -0.552 0.975 6.348 1.00 53.45 C ATOM 1345 CG1 VAL A 86 -0.118 2.142 7.230 1.00 22.41 C ATOM 1346 CG2 VAL A 86 -1.948 0.494 6.730 1.00 11.41 C ATOM 0 H VAL A 86 -0.907 -0.565 4.095 1.00 74.41 H new ATOM 0 HA VAL A 86 -0.964 2.329 4.696 1.00 14.31 H new ATOM 0 HB VAL A 86 0.142 0.151 6.512 1.00 53.45 H new ATOM 0 HG11 VAL A 86 -0.173 1.846 8.278 1.00 22.41 H new ATOM 0 HG12 VAL A 86 0.907 2.422 6.985 1.00 22.41 H new ATOM 0 HG13 VAL A 86 -0.777 2.993 7.058 1.00 22.41 H new ATOM 0 HG21 VAL A 86 -1.965 0.230 7.787 1.00 11.41 H new ATOM 0 HG22 VAL A 86 -2.671 1.288 6.542 1.00 11.41 H new ATOM 0 HG23 VAL A 86 -2.207 -0.381 6.134 1.00 11.41 H new ATOM 1356 N LEU A 87 1.555 2.648 4.410 1.00 60.24 N ATOM 1357 CA LEU A 87 2.958 2.847 4.007 1.00 23.13 C ATOM 1358 C LEU A 87 3.936 2.495 5.145 1.00 1.34 C ATOM 1359 O LEU A 87 4.065 3.231 6.119 1.00 62.42 O ATOM 1360 CB LEU A 87 3.180 4.301 3.562 1.00 23.24 C ATOM 1361 CG LEU A 87 4.583 4.614 3.009 1.00 64.42 C ATOM 1362 CD1 LEU A 87 4.900 3.737 1.800 1.00 72.53 C ATOM 1363 CD2 LEU A 87 4.705 6.094 2.649 1.00 51.14 C ATOM 0 H LEU A 87 1.064 3.506 4.661 1.00 60.24 H new ATOM 0 HA LEU A 87 3.158 2.174 3.173 1.00 23.13 H new ATOM 0 HB2 LEU A 87 2.443 4.546 2.797 1.00 23.24 H new ATOM 0 HB3 LEU A 87 2.988 4.957 4.411 1.00 23.24 H new ATOM 0 HG LEU A 87 5.311 4.391 3.789 1.00 64.42 H new ATOM 0 HD11 LEU A 87 5.896 3.977 1.428 1.00 72.53 H new ATOM 0 HD12 LEU A 87 4.865 2.688 2.093 1.00 72.53 H new ATOM 0 HD13 LEU A 87 4.166 3.920 1.015 1.00 72.53 H new ATOM 0 HD21 LEU A 87 5.704 6.293 2.260 1.00 51.14 H new ATOM 0 HD22 LEU A 87 3.964 6.346 1.891 1.00 51.14 H new ATOM 0 HD23 LEU A 87 4.535 6.700 3.539 1.00 51.14 H new ATOM 1375 N ILE A 88 4.621 1.362 5.012 1.00 53.33 N ATOM 1376 CA ILE A 88 5.609 0.925 6.008 1.00 32.03 C ATOM 1377 C ILE A 88 6.997 0.747 5.374 1.00 40.43 C ATOM 1378 O ILE A 88 7.184 0.966 4.177 1.00 14.41 O ATOM 1379 CB ILE A 88 5.190 -0.409 6.681 1.00 2.41 C ATOM 1380 CG1 ILE A 88 5.242 -1.562 5.663 1.00 50.04 C ATOM 1381 CG2 ILE A 88 3.797 -0.287 7.300 1.00 21.51 C ATOM 1382 CD1 ILE A 88 4.759 -2.888 6.211 1.00 41.50 C ATOM 0 H ILE A 88 4.513 0.725 4.223 1.00 53.33 H new ATOM 0 HA ILE A 88 5.654 1.707 6.766 1.00 32.03 H new ATOM 0 HB ILE A 88 5.895 -0.630 7.483 1.00 2.41 H new ATOM 0 HG12 ILE A 88 4.636 -1.296 4.797 1.00 50.04 H new ATOM 0 HG13 ILE A 88 6.267 -1.677 5.312 1.00 50.04 H new ATOM 0 HG21 ILE A 88 3.522 -1.233 7.767 1.00 21.51 H new ATOM 0 HG22 ILE A 88 3.801 0.501 8.053 1.00 21.51 H new ATOM 0 HG23 ILE A 88 3.073 -0.042 6.522 1.00 21.51 H new ATOM 0 HD11 ILE A 88 4.827 -3.649 5.434 1.00 41.50 H new ATOM 0 HD12 ILE A 88 5.379 -3.179 7.059 1.00 41.50 H new ATOM 0 HD13 ILE A 88 3.723 -2.792 6.536 1.00 41.50 H new ATOM 1394 N ARG A 89 7.972 0.354 6.188 1.00 51.53 N ATOM 1395 CA ARG A 89 9.345 0.130 5.716 1.00 44.35 C ATOM 1396 C ARG A 89 9.788 -1.322 5.977 1.00 73.24 C ATOM 1397 O ARG A 89 9.938 -1.736 7.127 1.00 61.40 O ATOM 1398 CB ARG A 89 10.333 1.104 6.395 1.00 54.33 C ATOM 1399 CG ARG A 89 10.154 2.581 6.024 1.00 24.20 C ATOM 1400 CD ARG A 89 8.910 3.208 6.656 1.00 30.13 C ATOM 1401 NE ARG A 89 8.922 3.121 8.117 1.00 5.22 N ATOM 1402 CZ ARG A 89 8.548 4.085 8.915 1.00 32.02 C ATOM 1403 NH1 ARG A 89 8.193 5.240 8.442 1.00 24.22 N ATOM 1404 NH2 ARG A 89 8.557 3.892 10.193 1.00 63.34 N ATOM 0 H ARG A 89 7.841 0.182 7.185 1.00 51.53 H new ATOM 0 HA ARG A 89 9.354 0.314 4.642 1.00 44.35 H new ATOM 0 HB2 ARG A 89 10.233 1.003 7.476 1.00 54.33 H new ATOM 0 HB3 ARG A 89 11.349 0.802 6.139 1.00 54.33 H new ATOM 0 HG2 ARG A 89 11.036 3.139 6.339 1.00 24.20 H new ATOM 0 HG3 ARG A 89 10.090 2.673 4.940 1.00 24.20 H new ATOM 0 HD2 ARG A 89 8.842 4.254 6.358 1.00 30.13 H new ATOM 0 HD3 ARG A 89 8.020 2.709 6.272 1.00 30.13 H new ATOM 0 HE ARG A 89 9.244 2.250 8.540 1.00 5.22 H new ATOM 0 HH11 ARG A 89 8.204 5.404 7.435 1.00 24.22 H new ATOM 0 HH12 ARG A 89 7.903 5.984 9.077 1.00 24.22 H new ATOM 0 HH21 ARG A 89 8.855 2.993 10.571 1.00 63.34 H new ATOM 0 HH22 ARG A 89 8.267 4.639 10.824 1.00 63.34 H new ATOM 1418 N GLU A 90 9.998 -2.089 4.905 1.00 53.32 N ATOM 1419 CA GLU A 90 10.413 -3.498 5.021 1.00 11.12 C ATOM 1420 C GLU A 90 11.741 -3.774 4.293 1.00 5.23 C ATOM 1421 O GLU A 90 12.778 -3.981 4.925 1.00 33.30 O ATOM 1422 CB GLU A 90 9.320 -4.427 4.463 1.00 14.33 C ATOM 1423 CG GLU A 90 8.038 -4.456 5.285 1.00 62.20 C ATOM 1424 CD GLU A 90 8.235 -5.057 6.669 1.00 74.33 C ATOM 1425 OE1 GLU A 90 8.700 -6.215 6.758 1.00 45.21 O ATOM 1426 OE2 GLU A 90 7.911 -4.391 7.673 1.00 64.51 O ATOM 0 H GLU A 90 9.889 -1.763 3.945 1.00 53.32 H new ATOM 0 HA GLU A 90 10.563 -3.699 6.082 1.00 11.12 H new ATOM 0 HB2 GLU A 90 9.079 -4.114 3.447 1.00 14.33 H new ATOM 0 HB3 GLU A 90 9.719 -5.439 4.399 1.00 14.33 H new ATOM 0 HG2 GLU A 90 7.655 -3.441 5.387 1.00 62.20 H new ATOM 0 HG3 GLU A 90 7.282 -5.030 4.749 1.00 62.20 H new ATOM 1433 N LEU A 91 11.697 -3.780 2.961 1.00 64.34 N ATOM 1434 CA LEU A 91 12.869 -4.110 2.138 1.00 4.34 C ATOM 1435 C LEU A 91 13.556 -2.854 1.574 1.00 52.22 C ATOM 1436 O LEU A 91 13.175 -1.725 1.884 1.00 3.33 O ATOM 1437 CB LEU A 91 12.444 -5.035 0.985 1.00 53.14 C ATOM 1438 CG LEU A 91 11.837 -6.382 1.413 1.00 60.21 C ATOM 1439 CD1 LEU A 91 11.381 -7.184 0.193 1.00 40.15 C ATOM 1440 CD2 LEU A 91 12.838 -7.182 2.248 1.00 22.14 C ATOM 0 H LEU A 91 10.859 -3.559 2.423 1.00 64.34 H new ATOM 0 HA LEU A 91 13.591 -4.616 2.778 1.00 4.34 H new ATOM 0 HB2 LEU A 91 11.717 -4.508 0.367 1.00 53.14 H new ATOM 0 HB3 LEU A 91 13.314 -5.230 0.358 1.00 53.14 H new ATOM 0 HG LEU A 91 10.962 -6.182 2.031 1.00 60.21 H new ATOM 0 HD11 LEU A 91 10.955 -8.133 0.520 1.00 40.15 H new ATOM 0 HD12 LEU A 91 10.628 -6.617 -0.354 1.00 40.15 H new ATOM 0 HD13 LEU A 91 12.235 -7.374 -0.457 1.00 40.15 H new ATOM 0 HD21 LEU A 91 12.390 -8.132 2.541 1.00 22.14 H new ATOM 0 HD22 LEU A 91 13.735 -7.371 1.658 1.00 22.14 H new ATOM 0 HD23 LEU A 91 13.103 -6.615 3.140 1.00 22.14 H new ATOM 1452 N GLU A 92 14.570 -3.070 0.739 1.00 62.21 N ATOM 1453 CA GLU A 92 15.326 -1.976 0.118 1.00 54.31 C ATOM 1454 C GLU A 92 14.482 -1.263 -0.953 1.00 5.51 C ATOM 1455 O GLU A 92 13.815 -1.911 -1.758 1.00 32.51 O ATOM 1456 CB GLU A 92 16.608 -2.536 -0.511 1.00 4.15 C ATOM 1457 CG GLU A 92 17.454 -3.364 0.456 1.00 0.35 C ATOM 1458 CD GLU A 92 18.668 -3.993 -0.214 1.00 52.42 C ATOM 1459 OE1 GLU A 92 18.519 -5.061 -0.848 1.00 55.30 O ATOM 1460 OE2 GLU A 92 19.769 -3.413 -0.121 1.00 11.35 O ATOM 0 H GLU A 92 14.892 -4.001 0.473 1.00 62.21 H new ATOM 0 HA GLU A 92 15.583 -1.247 0.887 1.00 54.31 H new ATOM 0 HB2 GLU A 92 16.342 -3.154 -1.368 1.00 4.15 H new ATOM 0 HB3 GLU A 92 17.209 -1.709 -0.889 1.00 4.15 H new ATOM 0 HG2 GLU A 92 17.786 -2.729 1.277 1.00 0.35 H new ATOM 0 HG3 GLU A 92 16.836 -4.150 0.891 1.00 0.35 H new ATOM 1467 N HIS A 93 14.507 0.071 -0.961 1.00 71.05 N ATOM 1468 CA HIS A 93 13.667 0.855 -1.889 1.00 62.44 C ATOM 1469 C HIS A 93 14.464 1.393 -3.088 1.00 41.04 C ATOM 1470 O HIS A 93 13.879 1.845 -4.073 1.00 73.15 O ATOM 1471 CB HIS A 93 13.012 2.028 -1.152 1.00 62.53 C ATOM 1472 CG HIS A 93 12.374 1.650 0.147 1.00 4.01 C ATOM 1473 ND1 HIS A 93 11.600 0.522 0.318 1.00 21.30 N ATOM 1474 CD2 HIS A 93 12.422 2.254 1.355 1.00 40.42 C ATOM 1475 CE1 HIS A 93 11.200 0.455 1.571 1.00 32.10 C ATOM 1476 NE2 HIS A 93 11.687 1.490 2.224 1.00 3.13 N ATOM 0 H HIS A 93 15.092 0.634 -0.344 1.00 71.05 H new ATOM 0 HA HIS A 93 12.903 0.178 -2.270 1.00 62.44 H new ATOM 0 HB2 HIS A 93 13.766 2.793 -0.966 1.00 62.53 H new ATOM 0 HB3 HIS A 93 12.257 2.475 -1.799 1.00 62.53 H new ATOM 0 HD2 HIS A 93 12.943 3.170 1.592 1.00 40.42 H new ATOM 0 HE1 HIS A 93 10.577 -0.320 1.993 1.00 32.10 H new ATOM 0 HE2 HIS A 93 11.541 1.690 3.213 1.00 3.13 H new ATOM 1485 N HIS A 94 15.793 1.358 -3.001 1.00 21.44 N ATOM 1486 CA HIS A 94 16.648 1.904 -4.063 1.00 54.34 C ATOM 1487 C HIS A 94 16.451 1.174 -5.400 1.00 20.11 C ATOM 1488 O HIS A 94 16.068 0.003 -5.437 1.00 0.14 O ATOM 1489 CB HIS A 94 18.131 1.852 -3.657 1.00 20.24 C ATOM 1490 CG HIS A 94 18.658 0.475 -3.354 1.00 30.31 C ATOM 1491 ND1 HIS A 94 19.179 0.127 -2.128 1.00 4.31 N ATOM 1492 CD2 HIS A 94 18.770 -0.636 -4.128 1.00 61.22 C ATOM 1493 CE1 HIS A 94 19.591 -1.122 -2.158 1.00 43.05 C ATOM 1494 NE2 HIS A 94 19.352 -1.611 -3.358 1.00 64.32 N ATOM 0 H HIS A 94 16.302 0.960 -2.212 1.00 21.44 H new ATOM 0 HA HIS A 94 16.349 2.943 -4.201 1.00 54.34 H new ATOM 0 HB2 HIS A 94 18.728 2.285 -4.460 1.00 20.24 H new ATOM 0 HB3 HIS A 94 18.274 2.481 -2.779 1.00 20.24 H new ATOM 0 HD2 HIS A 94 18.459 -0.733 -5.158 1.00 61.22 H new ATOM 0 HE1 HIS A 94 20.048 -1.656 -1.338 1.00 43.05 H new ATOM 0 HE2 HIS A 94 19.565 -2.560 -3.665 1.00 64.32 H new ATOM 1503 N HIS A 95 16.736 1.870 -6.499 1.00 2.43 N ATOM 1504 CA HIS A 95 16.689 1.254 -7.827 1.00 21.11 C ATOM 1505 C HIS A 95 17.712 0.110 -7.909 1.00 74.55 C ATOM 1506 O HIS A 95 18.919 0.338 -7.843 1.00 3.52 O ATOM 1507 CB HIS A 95 16.957 2.305 -8.916 1.00 72.32 C ATOM 1508 CG HIS A 95 15.939 3.408 -8.941 1.00 32.42 C ATOM 1509 ND1 HIS A 95 14.843 3.403 -9.775 1.00 32.34 N ATOM 1510 CD2 HIS A 95 15.852 4.553 -8.223 1.00 42.32 C ATOM 1511 CE1 HIS A 95 14.126 4.486 -9.564 1.00 42.53 C ATOM 1512 NE2 HIS A 95 14.715 5.199 -8.631 1.00 33.55 N ATOM 0 H HIS A 95 17.001 2.855 -6.499 1.00 2.43 H new ATOM 0 HA HIS A 95 15.693 0.843 -7.992 1.00 21.11 H new ATOM 0 HB2 HIS A 95 17.946 2.736 -8.759 1.00 72.32 H new ATOM 0 HB3 HIS A 95 16.974 1.814 -9.889 1.00 72.32 H new ATOM 0 HD2 HIS A 95 16.548 4.893 -7.470 1.00 42.32 H new ATOM 0 HE1 HIS A 95 13.209 4.745 -10.072 1.00 42.53 H new ATOM 0 HE2 HIS A 95 14.379 6.091 -8.268 1.00 33.55 H new ATOM 1521 N HIS A 96 17.213 -1.117 -8.048 1.00 43.53 N ATOM 1522 CA HIS A 96 18.043 -2.323 -7.920 1.00 34.30 C ATOM 1523 C HIS A 96 19.251 -2.312 -8.875 1.00 12.31 C ATOM 1524 O HIS A 96 20.381 -2.069 -8.451 1.00 11.01 O ATOM 1525 CB HIS A 96 17.187 -3.580 -8.133 1.00 15.43 C ATOM 1526 CG HIS A 96 16.042 -3.693 -7.164 1.00 34.00 C ATOM 1527 ND1 HIS A 96 16.177 -4.193 -5.883 1.00 25.41 N ATOM 1528 CD2 HIS A 96 14.733 -3.358 -7.290 1.00 21.34 C ATOM 1529 CE1 HIS A 96 15.010 -4.160 -5.272 1.00 62.11 C ATOM 1530 NE2 HIS A 96 14.120 -3.658 -6.101 1.00 43.41 N ATOM 0 H HIS A 96 16.232 -1.307 -8.251 1.00 43.53 H new ATOM 0 HA HIS A 96 18.447 -2.334 -6.908 1.00 34.30 H new ATOM 0 HB2 HIS A 96 16.794 -3.575 -9.150 1.00 15.43 H new ATOM 0 HB3 HIS A 96 17.820 -4.462 -8.040 1.00 15.43 H new ATOM 0 HD2 HIS A 96 14.262 -2.934 -8.164 1.00 21.34 H new ATOM 0 HE1 HIS A 96 14.817 -4.489 -4.262 1.00 62.11 H new ATOM 0 HE2 HIS A 96 13.132 -3.515 -5.892 1.00 43.41 H new ATOM 1539 N HIS A 97 19.015 -2.546 -10.162 1.00 53.14 N ATOM 1540 CA HIS A 97 20.114 -2.568 -11.138 1.00 73.31 C ATOM 1541 C HIS A 97 20.428 -1.150 -11.654 1.00 55.31 C ATOM 1542 O HIS A 97 19.678 -0.579 -12.448 1.00 21.34 O ATOM 1543 CB HIS A 97 19.797 -3.525 -12.300 1.00 12.22 C ATOM 1544 CG HIS A 97 18.530 -3.211 -13.041 1.00 22.01 C ATOM 1545 ND1 HIS A 97 18.486 -2.365 -14.127 1.00 40.10 N ATOM 1546 CD2 HIS A 97 17.258 -3.640 -12.857 1.00 60.15 C ATOM 1547 CE1 HIS A 97 17.251 -2.284 -14.575 1.00 64.03 C ATOM 1548 NE2 HIS A 97 16.486 -3.048 -13.823 1.00 4.14 N ATOM 0 H HIS A 97 18.090 -2.721 -10.555 1.00 53.14 H new ATOM 0 HA HIS A 97 21.005 -2.940 -10.632 1.00 73.31 H new ATOM 0 HB2 HIS A 97 20.628 -3.507 -13.005 1.00 12.22 H new ATOM 0 HB3 HIS A 97 19.732 -4.541 -11.909 1.00 12.22 H new ATOM 0 HD2 HIS A 97 16.916 -4.321 -12.092 1.00 60.15 H new ATOM 0 HE1 HIS A 97 16.921 -1.692 -15.416 1.00 64.03 H new ATOM 0 HE2 HIS A 97 15.481 -3.178 -13.940 1.00 4.14 H new ATOM 1557 N HIS A 98 21.532 -0.577 -11.176 1.00 60.02 N ATOM 1558 CA HIS A 98 21.948 0.778 -11.575 1.00 31.13 C ATOM 1559 C HIS A 98 23.447 0.828 -11.961 1.00 32.01 C ATOM 1560 O HIS A 98 24.297 1.103 -11.090 1.00 37.14 O ATOM 1561 CB HIS A 98 21.614 1.782 -10.450 1.00 3.35 C ATOM 1562 CG HIS A 98 22.121 1.387 -9.087 1.00 52.54 C ATOM 1563 ND1 HIS A 98 21.513 0.428 -8.304 1.00 70.41 N ATOM 1564 CD2 HIS A 98 23.180 1.832 -8.365 1.00 11.01 C ATOM 1565 CE1 HIS A 98 22.172 0.301 -7.172 1.00 65.02 C ATOM 1566 NE2 HIS A 98 23.185 1.137 -7.182 1.00 33.23 N ATOM 1567 OXT HIS A 98 23.770 0.565 -13.139 1.00 37.14 O ATOM 0 H HIS A 98 22.160 -1.027 -10.510 1.00 60.02 H new ATOM 0 HA HIS A 98 21.390 1.061 -12.467 1.00 31.13 H new ATOM 0 HB2 HIS A 98 22.033 2.754 -10.712 1.00 3.35 H new ATOM 0 HB3 HIS A 98 20.532 1.905 -10.399 1.00 3.35 H new ATOM 0 HD1 HIS A 98 20.680 -0.101 -8.563 1.00 70.41 H new ATOM 0 HD2 HIS A 98 23.887 2.591 -8.665 1.00 11.01 H new ATOM 0 HE1 HIS A 98 21.922 -0.377 -6.369 1.00 65.02 H new TER 1576 HIS A 98