USER MOD reduce.3.24.130724 H: found=0, std=0, add=607, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 603 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 52 LYS NZ :NH3+ -104:sc= 0.222 (180deg=0) USER MOD Set 1.2: A 54 HIS : no HD1:sc= 0.265 K(o=0.49,f=-0.11) USER MOD Set 2.1: A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 66 THR OG1 : rot 150:sc= 0 USER MOD Set 3.1: A 23 SER OG : rot 180:sc= -0.203 USER MOD Set 3.2: A 56 SER OG : rot 180:sc= 0 USER MOD Set 4.1: A 12 LYS NZ :NH3+ -114:sc= 0.303 (180deg=-0.408) USER MOD Set 4.2: A 72 TYR OH : rot 30:sc= 0.288 USER MOD Set 5.1: A 7 ASN : amide:sc= -0.525 X(o=-0.52,f=-0.54) USER MOD Set 5.2: A 67 ASN : amide:sc= 0 X(o=-0.52,f=-0.54) USER MOD Single : A 1 MET CE :methyl -108:sc= -0.061 (180deg=-2.17!) USER MOD Single : A 1 MET N :NH3+ 127:sc= 0.0484 (180deg=-0.393) USER MOD Single : A 13 LYS NZ :NH3+ 156:sc= -0.0117 (180deg=-0.352) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 CYS SG : rot -74:sc= -0.909 USER MOD Single : A 28 LYS NZ :NH3+ 159:sc= 0.0152 (180deg=-0.16) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot -32:sc= 0.319 USER MOD Single : A 34 GLN : amide:sc= -0.462 X(o=-0.46,f=-0.048) USER MOD Single : A 37 THR OG1 : rot 53:sc= -1.63 USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 ASN : amide:sc= 0 X(o=0,f=0.11) USER MOD Single : A 41 LYS NZ :NH3+ 167:sc= -0.0939 (180deg=-0.35) USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=0.18) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot 30:sc= -0.872 USER MOD Single : A 63 HIS : no HD1:sc= -0.355 X(o=-0.36,f=-0.07) USER MOD Single : A 65 GLN : amide:sc= -0.2 K(o=-0.2,f=-0.71) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 10.788 5.081 6.232 1.00 0.61 N ATOM 2 CA MET A 1 9.612 4.528 5.492 1.00 0.45 C ATOM 3 C MET A 1 8.312 4.874 6.232 1.00 0.40 C ATOM 4 O MET A 1 8.318 5.188 7.410 1.00 0.59 O ATOM 5 CB MET A 1 9.747 3.002 5.366 1.00 0.60 C ATOM 6 CG MET A 1 9.727 2.352 6.754 1.00 0.82 C ATOM 7 SD MET A 1 11.200 1.320 6.958 1.00 0.97 S ATOM 8 CE MET A 1 10.600 -0.121 6.041 1.00 1.39 C ATOM 0 H1 MET A 1 11.479 4.322 6.403 1.00 0.61 H new ATOM 0 H2 MET A 1 11.232 5.833 5.667 1.00 0.61 H new ATOM 0 H3 MET A 1 10.472 5.473 7.142 1.00 0.61 H new ATOM 0 HA MET A 1 9.581 4.970 4.496 1.00 0.45 H new ATOM 0 HB2 MET A 1 8.932 2.606 4.760 1.00 0.60 H new ATOM 0 HB3 MET A 1 10.676 2.753 4.853 1.00 0.60 H new ATOM 0 HG2 MET A 1 9.698 3.120 7.527 1.00 0.82 H new ATOM 0 HG3 MET A 1 8.827 1.748 6.872 1.00 0.82 H new ATOM 0 HE1 MET A 1 10.380 -0.930 6.738 1.00 1.39 H new ATOM 0 HE2 MET A 1 9.694 0.145 5.497 1.00 1.39 H new ATOM 0 HE3 MET A 1 11.364 -0.447 5.335 1.00 1.39 H new ATOM 18 N ILE A 2 7.198 4.816 5.541 1.00 0.29 N ATOM 19 CA ILE A 2 5.885 5.137 6.184 1.00 0.27 C ATOM 20 C ILE A 2 5.006 3.881 6.223 1.00 0.26 C ATOM 21 O ILE A 2 5.238 2.925 5.505 1.00 0.31 O ATOM 22 CB ILE A 2 5.170 6.240 5.388 1.00 0.28 C ATOM 23 CG1 ILE A 2 4.946 5.779 3.940 1.00 0.31 C ATOM 24 CG2 ILE A 2 6.028 7.509 5.389 1.00 0.34 C ATOM 25 CD1 ILE A 2 3.860 6.639 3.286 1.00 0.44 C ATOM 0 H ILE A 2 7.142 4.559 4.555 1.00 0.29 H new ATOM 0 HA ILE A 2 6.063 5.485 7.201 1.00 0.27 H new ATOM 0 HB ILE A 2 4.206 6.448 5.853 1.00 0.28 H new ATOM 0 HG12 ILE A 2 5.875 5.858 3.375 1.00 0.31 H new ATOM 0 HG13 ILE A 2 4.651 4.730 3.924 1.00 0.31 H new ATOM 0 HG21 ILE A 2 5.521 8.291 4.824 1.00 0.34 H new ATOM 0 HG22 ILE A 2 6.182 7.843 6.415 1.00 0.34 H new ATOM 0 HG23 ILE A 2 6.993 7.296 4.928 1.00 0.34 H new ATOM 0 HD11 ILE A 2 3.704 6.309 2.259 1.00 0.44 H new ATOM 0 HD12 ILE A 2 2.930 6.538 3.845 1.00 0.44 H new ATOM 0 HD13 ILE A 2 4.172 7.683 3.288 1.00 0.44 H new ATOM 37 N GLU A 3 3.995 3.885 7.057 1.00 0.27 N ATOM 38 CA GLU A 3 3.083 2.704 7.156 1.00 0.29 C ATOM 39 C GLU A 3 1.729 3.069 6.539 1.00 0.26 C ATOM 40 O GLU A 3 1.059 3.978 6.992 1.00 0.38 O ATOM 41 CB GLU A 3 2.896 2.325 8.630 1.00 0.37 C ATOM 42 CG GLU A 3 2.824 0.799 8.772 1.00 0.44 C ATOM 43 CD GLU A 3 1.516 0.278 8.163 1.00 0.44 C ATOM 44 OE1 GLU A 3 0.484 0.432 8.797 1.00 0.68 O ATOM 45 OE2 GLU A 3 1.570 -0.268 7.073 1.00 0.67 O ATOM 0 H GLU A 3 3.761 4.661 7.677 1.00 0.27 H new ATOM 0 HA GLU A 3 3.513 1.857 6.622 1.00 0.29 H new ATOM 0 HB2 GLU A 3 3.723 2.715 9.223 1.00 0.37 H new ATOM 0 HB3 GLU A 3 1.984 2.778 9.018 1.00 0.37 H new ATOM 0 HG2 GLU A 3 3.676 0.338 8.273 1.00 0.44 H new ATOM 0 HG3 GLU A 3 2.882 0.520 9.824 1.00 0.44 H new ATOM 52 N VAL A 4 1.327 2.369 5.504 1.00 0.25 N ATOM 53 CA VAL A 4 0.018 2.677 4.841 1.00 0.24 C ATOM 54 C VAL A 4 -0.890 1.439 4.874 1.00 0.26 C ATOM 55 O VAL A 4 -0.432 0.323 5.053 1.00 0.37 O ATOM 56 CB VAL A 4 0.264 3.101 3.385 1.00 0.27 C ATOM 57 CG1 VAL A 4 1.141 4.356 3.355 1.00 0.33 C ATOM 58 CG2 VAL A 4 0.970 1.975 2.625 1.00 0.35 C ATOM 0 H VAL A 4 1.849 1.597 5.089 1.00 0.25 H new ATOM 0 HA VAL A 4 -0.471 3.491 5.376 1.00 0.24 H new ATOM 0 HB VAL A 4 -0.695 3.312 2.911 1.00 0.27 H new ATOM 0 HG11 VAL A 4 1.314 4.654 2.321 1.00 0.33 H new ATOM 0 HG12 VAL A 4 0.638 5.164 3.887 1.00 0.33 H new ATOM 0 HG13 VAL A 4 2.096 4.144 3.836 1.00 0.33 H new ATOM 0 HG21 VAL A 4 1.141 2.283 1.594 1.00 0.35 H new ATOM 0 HG22 VAL A 4 1.926 1.758 3.102 1.00 0.35 H new ATOM 0 HG23 VAL A 4 0.347 1.081 2.638 1.00 0.35 H new ATOM 68 N VAL A 5 -2.176 1.634 4.697 1.00 0.26 N ATOM 69 CA VAL A 5 -3.130 0.479 4.712 1.00 0.30 C ATOM 70 C VAL A 5 -3.815 0.358 3.344 1.00 0.30 C ATOM 71 O VAL A 5 -4.367 1.314 2.829 1.00 0.45 O ATOM 72 CB VAL A 5 -4.191 0.680 5.807 1.00 0.35 C ATOM 73 CG1 VAL A 5 -3.533 0.581 7.186 1.00 0.46 C ATOM 74 CG2 VAL A 5 -4.850 2.058 5.660 1.00 0.42 C ATOM 0 H VAL A 5 -2.607 2.546 4.542 1.00 0.26 H new ATOM 0 HA VAL A 5 -2.575 -0.435 4.922 1.00 0.30 H new ATOM 0 HB VAL A 5 -4.951 -0.094 5.705 1.00 0.35 H new ATOM 0 HG11 VAL A 5 -4.287 0.724 7.960 1.00 0.46 H new ATOM 0 HG12 VAL A 5 -3.076 -0.402 7.301 1.00 0.46 H new ATOM 0 HG13 VAL A 5 -2.767 1.351 7.280 1.00 0.46 H new ATOM 0 HG21 VAL A 5 -5.599 2.188 6.441 1.00 0.42 H new ATOM 0 HG22 VAL A 5 -4.092 2.836 5.751 1.00 0.42 H new ATOM 0 HG23 VAL A 5 -5.328 2.130 4.683 1.00 0.42 H new ATOM 84 N VAL A 6 -3.779 -0.816 2.758 1.00 0.25 N ATOM 85 CA VAL A 6 -4.424 -1.020 1.423 1.00 0.25 C ATOM 86 C VAL A 6 -5.633 -1.951 1.589 1.00 0.24 C ATOM 87 O VAL A 6 -5.516 -3.048 2.108 1.00 0.33 O ATOM 88 CB VAL A 6 -3.422 -1.650 0.442 1.00 0.30 C ATOM 89 CG1 VAL A 6 -3.929 -1.464 -0.990 1.00 0.38 C ATOM 90 CG2 VAL A 6 -2.049 -0.978 0.580 1.00 0.41 C ATOM 0 H VAL A 6 -3.329 -1.644 3.149 1.00 0.25 H new ATOM 0 HA VAL A 6 -4.747 -0.057 1.027 1.00 0.25 H new ATOM 0 HB VAL A 6 -3.325 -2.712 0.669 1.00 0.30 H new ATOM 0 HG11 VAL A 6 -3.220 -1.910 -1.688 1.00 0.38 H new ATOM 0 HG12 VAL A 6 -4.899 -1.949 -1.098 1.00 0.38 H new ATOM 0 HG13 VAL A 6 -4.029 -0.400 -1.205 1.00 0.38 H new ATOM 0 HG21 VAL A 6 -1.349 -1.434 -0.120 1.00 0.41 H new ATOM 0 HG22 VAL A 6 -2.141 0.086 0.361 1.00 0.41 H new ATOM 0 HG23 VAL A 6 -1.681 -1.108 1.598 1.00 0.41 H new ATOM 100 N ASN A 7 -6.791 -1.515 1.157 1.00 0.23 N ATOM 101 CA ASN A 7 -8.019 -2.358 1.286 1.00 0.23 C ATOM 102 C ASN A 7 -8.376 -2.965 -0.075 1.00 0.23 C ATOM 103 O ASN A 7 -8.649 -2.255 -1.028 1.00 0.27 O ATOM 104 CB ASN A 7 -9.182 -1.493 1.786 1.00 0.29 C ATOM 105 CG ASN A 7 -8.977 -1.161 3.267 1.00 0.36 C ATOM 106 OD1 ASN A 7 -9.526 -1.817 4.130 1.00 0.51 O ATOM 107 ND2 ASN A 7 -8.202 -0.163 3.600 1.00 0.49 N ATOM 0 H ASN A 7 -6.938 -0.606 0.718 1.00 0.23 H new ATOM 0 HA ASN A 7 -7.832 -3.162 1.998 1.00 0.23 H new ATOM 0 HB2 ASN A 7 -9.242 -0.575 1.202 1.00 0.29 H new ATOM 0 HB3 ASN A 7 -10.126 -2.021 1.649 1.00 0.29 H new ATOM 0 HD21 ASN A 7 -8.058 0.065 4.584 1.00 0.49 H new ATOM 0 HD22 ASN A 7 -7.741 0.388 2.876 1.00 0.49 H new ATOM 114 N ASP A 8 -8.377 -4.275 -0.167 1.00 0.24 N ATOM 115 CA ASP A 8 -8.718 -4.946 -1.460 1.00 0.26 C ATOM 116 C ASP A 8 -10.232 -4.876 -1.685 1.00 0.26 C ATOM 117 O ASP A 8 -10.692 -4.357 -2.685 1.00 0.36 O ATOM 118 CB ASP A 8 -8.266 -6.413 -1.414 1.00 0.29 C ATOM 119 CG ASP A 8 -8.438 -7.053 -2.797 1.00 0.34 C ATOM 120 OD1 ASP A 8 -7.545 -6.901 -3.616 1.00 0.45 O ATOM 121 OD2 ASP A 8 -9.458 -7.687 -3.013 1.00 0.46 O ATOM 0 H ASP A 8 -8.155 -4.909 0.601 1.00 0.24 H new ATOM 0 HA ASP A 8 -8.207 -4.440 -2.279 1.00 0.26 H new ATOM 0 HB2 ASP A 8 -7.223 -6.472 -1.103 1.00 0.29 H new ATOM 0 HB3 ASP A 8 -8.851 -6.960 -0.675 1.00 0.29 H new ATOM 126 N ARG A 9 -11.005 -5.391 -0.757 1.00 0.32 N ATOM 127 CA ARG A 9 -12.495 -5.360 -0.895 1.00 0.38 C ATOM 128 C ARG A 9 -13.124 -4.867 0.418 1.00 0.43 C ATOM 129 O ARG A 9 -12.428 -4.499 1.349 1.00 0.51 O ATOM 130 CB ARG A 9 -13.004 -6.770 -1.217 1.00 0.42 C ATOM 131 CG ARG A 9 -13.667 -6.773 -2.599 1.00 0.53 C ATOM 132 CD ARG A 9 -12.835 -7.614 -3.573 1.00 0.57 C ATOM 133 NE ARG A 9 -12.683 -6.882 -4.864 1.00 0.69 N ATOM 134 CZ ARG A 9 -11.493 -6.683 -5.368 1.00 0.93 C ATOM 135 NH1 ARG A 9 -10.897 -7.637 -6.037 1.00 1.29 N ATOM 136 NH2 ARG A 9 -10.898 -5.528 -5.205 1.00 1.29 N ATOM 0 H ARG A 9 -10.664 -5.834 0.096 1.00 0.32 H new ATOM 0 HA ARG A 9 -12.774 -4.682 -1.701 1.00 0.38 H new ATOM 0 HB2 ARG A 9 -12.177 -7.480 -1.198 1.00 0.42 H new ATOM 0 HB3 ARG A 9 -13.718 -7.092 -0.459 1.00 0.42 H new ATOM 0 HG2 ARG A 9 -14.677 -7.177 -2.527 1.00 0.53 H new ATOM 0 HG3 ARG A 9 -13.757 -5.752 -2.971 1.00 0.53 H new ATOM 0 HD2 ARG A 9 -11.855 -7.822 -3.144 1.00 0.57 H new ATOM 0 HD3 ARG A 9 -13.319 -8.576 -3.744 1.00 0.57 H new ATOM 0 HE ARG A 9 -13.508 -6.536 -5.354 1.00 0.69 H new ATOM 0 HH11 ARG A 9 -11.361 -8.536 -6.165 1.00 1.29 H new ATOM 0 HH12 ARG A 9 -9.969 -7.481 -6.430 1.00 1.29 H new ATOM 0 HH21 ARG A 9 -11.363 -4.784 -4.685 1.00 1.29 H new ATOM 0 HH22 ARG A 9 -9.970 -5.373 -5.598 1.00 1.29 H new ATOM 150 N LEU A 10 -14.436 -4.856 0.497 1.00 0.50 N ATOM 151 CA LEU A 10 -15.116 -4.384 1.745 1.00 0.61 C ATOM 152 C LEU A 10 -14.841 -5.375 2.886 1.00 0.64 C ATOM 153 O LEU A 10 -15.341 -6.488 2.890 1.00 0.80 O ATOM 154 CB LEU A 10 -16.626 -4.274 1.500 1.00 0.76 C ATOM 155 CG LEU A 10 -17.111 -2.883 1.917 1.00 1.22 C ATOM 156 CD1 LEU A 10 -17.592 -2.115 0.682 1.00 1.71 C ATOM 157 CD2 LEU A 10 -18.264 -3.024 2.913 1.00 1.66 C ATOM 0 H LEU A 10 -15.064 -5.154 -0.250 1.00 0.50 H new ATOM 0 HA LEU A 10 -14.728 -3.403 2.021 1.00 0.61 H new ATOM 0 HB2 LEU A 10 -16.848 -4.448 0.447 1.00 0.76 H new ATOM 0 HB3 LEU A 10 -17.154 -5.040 2.068 1.00 0.76 H new ATOM 0 HG LEU A 10 -16.291 -2.338 2.384 1.00 1.22 H new ATOM 0 HD11 LEU A 10 -17.937 -1.125 0.981 1.00 1.71 H new ATOM 0 HD12 LEU A 10 -16.770 -2.014 -0.027 1.00 1.71 H new ATOM 0 HD13 LEU A 10 -18.412 -2.658 0.212 1.00 1.71 H new ATOM 0 HD21 LEU A 10 -18.610 -2.034 3.211 1.00 1.66 H new ATOM 0 HD22 LEU A 10 -19.084 -3.570 2.446 1.00 1.66 H new ATOM 0 HD23 LEU A 10 -17.920 -3.568 3.793 1.00 1.66 H new ATOM 169 N GLY A 11 -14.041 -4.974 3.848 1.00 0.63 N ATOM 170 CA GLY A 11 -13.713 -5.877 4.994 1.00 0.69 C ATOM 171 C GLY A 11 -12.235 -6.283 4.933 1.00 0.61 C ATOM 172 O GLY A 11 -11.572 -6.387 5.949 1.00 0.80 O ATOM 0 H GLY A 11 -13.600 -4.055 3.886 1.00 0.63 H new ATOM 0 HA2 GLY A 11 -13.922 -5.372 5.937 1.00 0.69 H new ATOM 0 HA3 GLY A 11 -14.345 -6.765 4.961 1.00 0.69 H new ATOM 176 N LYS A 12 -11.720 -6.521 3.745 1.00 0.44 N ATOM 177 CA LYS A 12 -10.289 -6.932 3.603 1.00 0.39 C ATOM 178 C LYS A 12 -9.369 -5.718 3.784 1.00 0.34 C ATOM 179 O LYS A 12 -9.542 -4.692 3.147 1.00 0.41 O ATOM 180 CB LYS A 12 -10.068 -7.535 2.211 1.00 0.39 C ATOM 181 CG LYS A 12 -9.471 -8.939 2.346 1.00 0.72 C ATOM 182 CD LYS A 12 -8.497 -9.193 1.194 1.00 0.75 C ATOM 183 CE LYS A 12 -7.098 -8.724 1.602 1.00 1.01 C ATOM 184 NZ LYS A 12 -6.140 -8.972 0.489 1.00 1.16 N ATOM 0 H LYS A 12 -12.234 -6.447 2.867 1.00 0.44 H new ATOM 0 HA LYS A 12 -10.055 -7.672 4.368 1.00 0.39 H new ATOM 0 HB2 LYS A 12 -11.013 -7.582 1.670 1.00 0.39 H new ATOM 0 HB3 LYS A 12 -9.399 -6.899 1.631 1.00 0.39 H new ATOM 0 HG2 LYS A 12 -8.954 -9.036 3.301 1.00 0.72 H new ATOM 0 HG3 LYS A 12 -10.265 -9.686 2.336 1.00 0.72 H new ATOM 0 HD2 LYS A 12 -8.479 -10.254 0.945 1.00 0.75 H new ATOM 0 HD3 LYS A 12 -8.825 -8.661 0.301 1.00 0.75 H new ATOM 0 HE2 LYS A 12 -7.117 -7.662 1.848 1.00 1.01 H new ATOM 0 HE3 LYS A 12 -6.774 -9.253 2.498 1.00 1.01 H new ATOM 0 HZ1 LYS A 12 -5.446 -9.689 0.782 1.00 1.16 H new ATOM 0 HZ2 LYS A 12 -6.658 -9.312 -0.346 1.00 1.16 H new ATOM 0 HZ3 LYS A 12 -5.646 -8.088 0.253 1.00 1.16 H new ATOM 198 N LYS A 13 -8.388 -5.838 4.651 1.00 0.35 N ATOM 199 CA LYS A 13 -7.436 -4.712 4.893 1.00 0.33 C ATOM 200 C LYS A 13 -6.018 -5.270 5.089 1.00 0.33 C ATOM 201 O LYS A 13 -5.816 -6.222 5.823 1.00 0.48 O ATOM 202 CB LYS A 13 -7.859 -3.940 6.147 1.00 0.41 C ATOM 203 CG LYS A 13 -7.084 -2.622 6.216 1.00 0.50 C ATOM 204 CD LYS A 13 -7.251 -1.996 7.603 1.00 0.79 C ATOM 205 CE LYS A 13 -7.790 -0.567 7.463 1.00 1.07 C ATOM 206 NZ LYS A 13 -7.184 0.307 8.508 1.00 1.26 N ATOM 0 H LYS A 13 -8.208 -6.676 5.204 1.00 0.35 H new ATOM 0 HA LYS A 13 -7.447 -4.041 4.034 1.00 0.33 H new ATOM 0 HB2 LYS A 13 -8.931 -3.744 6.123 1.00 0.41 H new ATOM 0 HB3 LYS A 13 -7.664 -4.537 7.038 1.00 0.41 H new ATOM 0 HG2 LYS A 13 -6.028 -2.799 6.011 1.00 0.50 H new ATOM 0 HG3 LYS A 13 -7.446 -1.936 5.451 1.00 0.50 H new ATOM 0 HD2 LYS A 13 -7.935 -2.596 8.203 1.00 0.79 H new ATOM 0 HD3 LYS A 13 -6.294 -1.985 8.125 1.00 0.79 H new ATOM 0 HE2 LYS A 13 -7.559 -0.177 6.472 1.00 1.07 H new ATOM 0 HE3 LYS A 13 -8.876 -0.567 7.561 1.00 1.07 H new ATOM 0 HZ1 LYS A 13 -7.209 1.297 8.190 1.00 1.26 H new ATOM 0 HZ2 LYS A 13 -7.722 0.214 9.393 1.00 1.26 H new ATOM 0 HZ3 LYS A 13 -6.197 0.021 8.671 1.00 1.26 H new ATOM 220 N VAL A 14 -5.040 -4.682 4.437 1.00 0.30 N ATOM 221 CA VAL A 14 -3.631 -5.171 4.579 1.00 0.31 C ATOM 222 C VAL A 14 -2.707 -3.992 4.926 1.00 0.27 C ATOM 223 O VAL A 14 -2.937 -2.868 4.514 1.00 0.36 O ATOM 224 CB VAL A 14 -3.172 -5.820 3.263 1.00 0.40 C ATOM 225 CG1 VAL A 14 -1.831 -6.529 3.478 1.00 0.51 C ATOM 226 CG2 VAL A 14 -4.212 -6.848 2.801 1.00 0.60 C ATOM 0 H VAL A 14 -5.158 -3.884 3.813 1.00 0.30 H new ATOM 0 HA VAL A 14 -3.586 -5.911 5.378 1.00 0.31 H new ATOM 0 HB VAL A 14 -3.061 -5.045 2.505 1.00 0.40 H new ATOM 0 HG11 VAL A 14 -1.508 -6.988 2.544 1.00 0.51 H new ATOM 0 HG12 VAL A 14 -1.084 -5.804 3.803 1.00 0.51 H new ATOM 0 HG13 VAL A 14 -1.945 -7.300 4.240 1.00 0.51 H new ATOM 0 HG21 VAL A 14 -3.882 -7.305 1.868 1.00 0.60 H new ATOM 0 HG22 VAL A 14 -4.325 -7.619 3.563 1.00 0.60 H new ATOM 0 HG23 VAL A 14 -5.169 -6.351 2.643 1.00 0.60 H new ATOM 236 N ARG A 15 -1.663 -4.247 5.683 1.00 0.26 N ATOM 237 CA ARG A 15 -0.713 -3.154 6.069 1.00 0.27 C ATOM 238 C ARG A 15 0.620 -3.345 5.332 1.00 0.26 C ATOM 239 O ARG A 15 1.113 -4.452 5.200 1.00 0.37 O ATOM 240 CB ARG A 15 -0.469 -3.193 7.581 1.00 0.34 C ATOM 241 CG ARG A 15 -1.670 -2.582 8.312 1.00 0.49 C ATOM 242 CD ARG A 15 -2.468 -3.686 9.015 1.00 0.71 C ATOM 243 NE ARG A 15 -3.895 -3.617 8.580 1.00 0.97 N ATOM 244 CZ ARG A 15 -4.855 -3.957 9.403 1.00 1.42 C ATOM 245 NH1 ARG A 15 -5.209 -5.214 9.511 1.00 1.88 N ATOM 246 NH2 ARG A 15 -5.464 -3.040 10.112 1.00 1.87 N ATOM 0 H ARG A 15 -1.428 -5.169 6.051 1.00 0.26 H new ATOM 0 HA ARG A 15 -1.144 -2.191 5.796 1.00 0.27 H new ATOM 0 HB2 ARG A 15 -0.316 -4.221 7.908 1.00 0.34 H new ATOM 0 HB3 ARG A 15 0.438 -2.642 7.827 1.00 0.34 H new ATOM 0 HG2 ARG A 15 -1.328 -1.848 9.041 1.00 0.49 H new ATOM 0 HG3 ARG A 15 -2.308 -2.054 7.603 1.00 0.49 H new ATOM 0 HD2 ARG A 15 -2.049 -4.663 8.774 1.00 0.71 H new ATOM 0 HD3 ARG A 15 -2.399 -3.568 10.096 1.00 0.71 H new ATOM 0 HE ARG A 15 -4.123 -3.303 7.637 1.00 0.97 H new ATOM 0 HH11 ARG A 15 -4.737 -5.926 8.954 1.00 1.88 H new ATOM 0 HH12 ARG A 15 -5.957 -5.480 10.152 1.00 1.88 H new ATOM 0 HH21 ARG A 15 -5.191 -2.061 10.023 1.00 1.87 H new ATOM 0 HH22 ARG A 15 -6.212 -3.304 10.753 1.00 1.87 H new ATOM 260 N VAL A 16 1.200 -2.271 4.852 1.00 0.24 N ATOM 261 CA VAL A 16 2.500 -2.372 4.116 1.00 0.24 C ATOM 262 C VAL A 16 3.326 -1.093 4.341 1.00 0.25 C ATOM 263 O VAL A 16 2.822 0.011 4.220 1.00 0.33 O ATOM 264 CB VAL A 16 2.212 -2.573 2.619 1.00 0.27 C ATOM 265 CG1 VAL A 16 1.411 -1.387 2.072 1.00 0.33 C ATOM 266 CG2 VAL A 16 3.529 -2.696 1.847 1.00 0.35 C ATOM 0 H VAL A 16 0.827 -1.325 4.939 1.00 0.24 H new ATOM 0 HA VAL A 16 3.074 -3.221 4.487 1.00 0.24 H new ATOM 0 HB VAL A 16 1.631 -3.487 2.494 1.00 0.27 H new ATOM 0 HG11 VAL A 16 1.213 -1.540 1.011 1.00 0.33 H new ATOM 0 HG12 VAL A 16 0.466 -1.307 2.610 1.00 0.33 H new ATOM 0 HG13 VAL A 16 1.983 -0.469 2.205 1.00 0.33 H new ATOM 0 HG21 VAL A 16 3.318 -2.838 0.787 1.00 0.35 H new ATOM 0 HG22 VAL A 16 4.116 -1.787 1.981 1.00 0.35 H new ATOM 0 HG23 VAL A 16 4.092 -3.550 2.222 1.00 0.35 H new ATOM 276 N LYS A 17 4.590 -1.240 4.676 1.00 0.28 N ATOM 277 CA LYS A 17 5.457 -0.040 4.919 1.00 0.31 C ATOM 278 C LYS A 17 6.395 0.192 3.723 1.00 0.29 C ATOM 279 O LYS A 17 7.072 -0.712 3.265 1.00 0.42 O ATOM 280 CB LYS A 17 6.290 -0.237 6.198 1.00 0.42 C ATOM 281 CG LYS A 17 7.064 -1.561 6.140 1.00 0.53 C ATOM 282 CD LYS A 17 6.511 -2.526 7.194 1.00 0.78 C ATOM 283 CE LYS A 17 6.719 -3.973 6.732 1.00 0.90 C ATOM 284 NZ LYS A 17 5.432 -4.722 6.814 1.00 1.15 N ATOM 0 H LYS A 17 5.057 -2.139 4.791 1.00 0.28 H new ATOM 0 HA LYS A 17 4.814 0.832 5.041 1.00 0.31 H new ATOM 0 HB2 LYS A 17 6.987 0.593 6.316 1.00 0.42 H new ATOM 0 HB3 LYS A 17 5.635 -0.230 7.069 1.00 0.42 H new ATOM 0 HG2 LYS A 17 6.976 -2.002 5.147 1.00 0.53 H new ATOM 0 HG3 LYS A 17 8.125 -1.382 6.317 1.00 0.53 H new ATOM 0 HD2 LYS A 17 7.012 -2.363 8.148 1.00 0.78 H new ATOM 0 HD3 LYS A 17 5.450 -2.335 7.355 1.00 0.78 H new ATOM 0 HE2 LYS A 17 7.093 -3.987 5.708 1.00 0.90 H new ATOM 0 HE3 LYS A 17 7.472 -4.458 7.353 1.00 0.90 H new ATOM 0 HZ1 LYS A 17 5.580 -5.702 6.499 1.00 1.15 H new ATOM 0 HZ2 LYS A 17 5.092 -4.721 7.797 1.00 1.15 H new ATOM 0 HZ3 LYS A 17 4.725 -4.265 6.203 1.00 1.15 H new ATOM 298 N CYS A 18 6.440 1.408 3.222 1.00 0.25 N ATOM 299 CA CYS A 18 7.333 1.728 2.062 1.00 0.24 C ATOM 300 C CYS A 18 7.773 3.198 2.140 1.00 0.23 C ATOM 301 O CYS A 18 7.073 4.036 2.681 1.00 0.33 O ATOM 302 CB CYS A 18 6.581 1.488 0.748 1.00 0.30 C ATOM 303 SG CYS A 18 7.177 -0.039 -0.020 1.00 0.61 S ATOM 0 H CYS A 18 5.893 2.195 3.570 1.00 0.25 H new ATOM 0 HA CYS A 18 8.212 1.084 2.097 1.00 0.24 H new ATOM 0 HB2 CYS A 18 5.510 1.418 0.937 1.00 0.30 H new ATOM 0 HB3 CYS A 18 6.731 2.330 0.072 1.00 0.30 H new ATOM 0 HG CYS A 18 8.354 0.164 -0.533 1.00 0.61 H new ATOM 309 N LEU A 19 8.928 3.515 1.602 1.00 0.23 N ATOM 310 CA LEU A 19 9.425 4.927 1.638 1.00 0.24 C ATOM 311 C LEU A 19 8.734 5.747 0.543 1.00 0.24 C ATOM 312 O LEU A 19 8.406 5.236 -0.515 1.00 0.29 O ATOM 313 CB LEU A 19 10.943 4.941 1.407 1.00 0.31 C ATOM 314 CG LEU A 19 11.661 5.412 2.677 1.00 0.65 C ATOM 315 CD1 LEU A 19 12.943 4.601 2.871 1.00 1.05 C ATOM 316 CD2 LEU A 19 12.015 6.897 2.548 1.00 0.98 C ATOM 0 H LEU A 19 9.550 2.853 1.138 1.00 0.23 H new ATOM 0 HA LEU A 19 9.200 5.364 2.611 1.00 0.24 H new ATOM 0 HB2 LEU A 19 11.287 3.944 1.133 1.00 0.31 H new ATOM 0 HB3 LEU A 19 11.187 5.602 0.575 1.00 0.31 H new ATOM 0 HG LEU A 19 11.005 5.268 3.535 1.00 0.65 H new ATOM 0 HD11 LEU A 19 13.453 4.937 3.774 1.00 1.05 H new ATOM 0 HD12 LEU A 19 12.694 3.544 2.966 1.00 1.05 H new ATOM 0 HD13 LEU A 19 13.597 4.743 2.011 1.00 1.05 H new ATOM 0 HD21 LEU A 19 12.525 7.229 3.452 1.00 0.98 H new ATOM 0 HD22 LEU A 19 12.669 7.042 1.688 1.00 0.98 H new ATOM 0 HD23 LEU A 19 11.103 7.478 2.412 1.00 0.98 H new ATOM 328 N ALA A 20 8.518 7.019 0.790 1.00 0.26 N ATOM 329 CA ALA A 20 7.857 7.893 -0.232 1.00 0.32 C ATOM 330 C ALA A 20 8.747 8.004 -1.481 1.00 0.31 C ATOM 331 O ALA A 20 8.269 8.293 -2.564 1.00 0.36 O ATOM 332 CB ALA A 20 7.629 9.288 0.359 1.00 0.40 C ATOM 0 H ALA A 20 8.772 7.490 1.658 1.00 0.26 H new ATOM 0 HA ALA A 20 6.900 7.454 -0.513 1.00 0.32 H new ATOM 0 HB1 ALA A 20 7.148 9.924 -0.384 1.00 0.40 H new ATOM 0 HB2 ALA A 20 6.990 9.211 1.238 1.00 0.40 H new ATOM 0 HB3 ALA A 20 8.587 9.723 0.644 1.00 0.40 H new ATOM 338 N GLU A 21 10.033 7.763 -1.338 1.00 0.29 N ATOM 339 CA GLU A 21 10.959 7.840 -2.509 1.00 0.33 C ATOM 340 C GLU A 21 10.888 6.537 -3.317 1.00 0.31 C ATOM 341 O GLU A 21 11.232 6.509 -4.484 1.00 0.37 O ATOM 342 CB GLU A 21 12.399 8.061 -2.019 1.00 0.39 C ATOM 343 CG GLU A 21 12.822 6.920 -1.082 1.00 0.41 C ATOM 344 CD GLU A 21 13.844 6.018 -1.786 1.00 0.64 C ATOM 345 OE1 GLU A 21 15.008 6.386 -1.817 1.00 1.01 O ATOM 346 OE2 GLU A 21 13.446 4.974 -2.277 1.00 0.90 O ATOM 0 H GLU A 21 10.479 7.515 -0.455 1.00 0.29 H new ATOM 0 HA GLU A 21 10.660 8.674 -3.144 1.00 0.33 H new ATOM 0 HB2 GLU A 21 13.077 8.112 -2.871 1.00 0.39 H new ATOM 0 HB3 GLU A 21 12.471 9.015 -1.497 1.00 0.39 H new ATOM 0 HG2 GLU A 21 13.253 7.329 -0.168 1.00 0.41 H new ATOM 0 HG3 GLU A 21 11.950 6.336 -0.789 1.00 0.41 H new ATOM 353 N ASP A 22 10.445 5.458 -2.704 1.00 0.28 N ATOM 354 CA ASP A 22 10.352 4.158 -3.436 1.00 0.30 C ATOM 355 C ASP A 22 9.274 4.249 -4.523 1.00 0.27 C ATOM 356 O ASP A 22 8.393 5.089 -4.469 1.00 0.39 O ATOM 357 CB ASP A 22 9.999 3.034 -2.452 1.00 0.35 C ATOM 358 CG ASP A 22 11.284 2.384 -1.931 1.00 0.42 C ATOM 359 OD1 ASP A 22 11.841 1.561 -2.641 1.00 0.56 O ATOM 360 OD2 ASP A 22 11.691 2.719 -0.831 1.00 0.59 O ATOM 0 H ASP A 22 10.145 5.427 -1.729 1.00 0.28 H new ATOM 0 HA ASP A 22 11.313 3.941 -3.902 1.00 0.30 H new ATOM 0 HB2 ASP A 22 9.419 3.434 -1.620 1.00 0.35 H new ATOM 0 HB3 ASP A 22 9.376 2.288 -2.945 1.00 0.35 H new ATOM 365 N SER A 23 9.345 3.391 -5.512 1.00 0.27 N ATOM 366 CA SER A 23 8.334 3.421 -6.614 1.00 0.27 C ATOM 367 C SER A 23 7.185 2.451 -6.310 1.00 0.24 C ATOM 368 O SER A 23 7.238 1.681 -5.367 1.00 0.28 O ATOM 369 CB SER A 23 9.004 3.021 -7.931 1.00 0.33 C ATOM 370 OG SER A 23 9.132 4.168 -8.762 1.00 0.60 O ATOM 0 H SER A 23 10.061 2.670 -5.603 1.00 0.27 H new ATOM 0 HA SER A 23 7.931 4.430 -6.696 1.00 0.27 H new ATOM 0 HB2 SER A 23 9.985 2.588 -7.736 1.00 0.33 H new ATOM 0 HB3 SER A 23 8.413 2.257 -8.435 1.00 0.33 H new ATOM 0 HG SER A 23 9.562 3.915 -9.605 1.00 0.60 H new ATOM 376 N VAL A 24 6.147 2.484 -7.119 1.00 0.25 N ATOM 377 CA VAL A 24 4.983 1.567 -6.906 1.00 0.26 C ATOM 378 C VAL A 24 5.453 0.111 -7.036 1.00 0.24 C ATOM 379 O VAL A 24 4.921 -0.774 -6.391 1.00 0.28 O ATOM 380 CB VAL A 24 3.898 1.861 -7.950 1.00 0.28 C ATOM 381 CG1 VAL A 24 2.714 0.912 -7.751 1.00 0.39 C ATOM 382 CG2 VAL A 24 3.417 3.307 -7.796 1.00 0.34 C ATOM 0 H VAL A 24 6.059 3.110 -7.919 1.00 0.25 H new ATOM 0 HA VAL A 24 4.570 1.725 -5.910 1.00 0.26 H new ATOM 0 HB VAL A 24 4.314 1.716 -8.947 1.00 0.28 H new ATOM 0 HG11 VAL A 24 1.947 1.126 -8.495 1.00 0.39 H new ATOM 0 HG12 VAL A 24 3.051 -0.119 -7.863 1.00 0.39 H new ATOM 0 HG13 VAL A 24 2.300 1.052 -6.753 1.00 0.39 H new ATOM 0 HG21 VAL A 24 2.646 3.515 -8.538 1.00 0.34 H new ATOM 0 HG22 VAL A 24 3.006 3.449 -6.796 1.00 0.34 H new ATOM 0 HG23 VAL A 24 4.256 3.987 -7.944 1.00 0.34 H new ATOM 392 N GLY A 25 6.458 -0.138 -7.853 1.00 0.23 N ATOM 393 CA GLY A 25 6.982 -1.530 -8.013 1.00 0.24 C ATOM 394 C GLY A 25 7.461 -2.042 -6.650 1.00 0.23 C ATOM 395 O GLY A 25 7.153 -3.150 -6.253 1.00 0.28 O ATOM 0 H GLY A 25 6.935 0.568 -8.414 1.00 0.23 H new ATOM 0 HA2 GLY A 25 6.203 -2.182 -8.408 1.00 0.24 H new ATOM 0 HA3 GLY A 25 7.803 -1.543 -8.730 1.00 0.24 H new ATOM 399 N ASP A 26 8.195 -1.224 -5.924 1.00 0.22 N ATOM 400 CA ASP A 26 8.682 -1.634 -4.570 1.00 0.24 C ATOM 401 C ASP A 26 7.475 -1.786 -3.632 1.00 0.23 C ATOM 402 O ASP A 26 7.447 -2.659 -2.783 1.00 0.29 O ATOM 403 CB ASP A 26 9.633 -0.562 -4.021 1.00 0.29 C ATOM 404 CG ASP A 26 10.412 -1.123 -2.827 1.00 0.41 C ATOM 405 OD1 ASP A 26 11.434 -1.750 -3.053 1.00 0.66 O ATOM 406 OD2 ASP A 26 9.975 -0.912 -1.706 1.00 0.60 O ATOM 0 H ASP A 26 8.476 -0.288 -6.216 1.00 0.22 H new ATOM 0 HA ASP A 26 9.215 -2.582 -4.639 1.00 0.24 H new ATOM 0 HB2 ASP A 26 10.325 -0.242 -4.801 1.00 0.29 H new ATOM 0 HB3 ASP A 26 9.067 0.318 -3.717 1.00 0.29 H new ATOM 411 N PHE A 27 6.474 -0.946 -3.799 1.00 0.22 N ATOM 412 CA PHE A 27 5.247 -1.029 -2.946 1.00 0.24 C ATOM 413 C PHE A 27 4.587 -2.400 -3.149 1.00 0.24 C ATOM 414 O PHE A 27 4.162 -3.037 -2.203 1.00 0.29 O ATOM 415 CB PHE A 27 4.274 0.081 -3.367 1.00 0.28 C ATOM 416 CG PHE A 27 3.188 0.251 -2.327 1.00 0.27 C ATOM 417 CD1 PHE A 27 2.130 -0.663 -2.263 1.00 0.32 C ATOM 418 CD2 PHE A 27 3.233 1.331 -1.436 1.00 0.41 C ATOM 419 CE1 PHE A 27 1.121 -0.501 -1.309 1.00 0.33 C ATOM 420 CE2 PHE A 27 2.223 1.493 -0.484 1.00 0.44 C ATOM 421 CZ PHE A 27 1.167 0.577 -0.419 1.00 0.33 C ATOM 0 H PHE A 27 6.459 -0.202 -4.497 1.00 0.22 H new ATOM 0 HA PHE A 27 5.510 -0.906 -1.895 1.00 0.24 H new ATOM 0 HB2 PHE A 27 4.815 1.019 -3.494 1.00 0.28 H new ATOM 0 HB3 PHE A 27 3.828 -0.163 -4.331 1.00 0.28 H new ATOM 0 HD1 PHE A 27 2.093 -1.494 -2.951 1.00 0.32 H new ATOM 0 HD2 PHE A 27 4.048 2.038 -1.485 1.00 0.41 H new ATOM 0 HE1 PHE A 27 0.306 -1.208 -1.259 1.00 0.33 H new ATOM 0 HE2 PHE A 27 2.257 2.326 0.202 1.00 0.44 H new ATOM 0 HZ PHE A 27 0.388 0.702 0.318 1.00 0.33 H new ATOM 431 N LYS A 28 4.509 -2.858 -4.381 1.00 0.24 N ATOM 432 CA LYS A 28 3.889 -4.189 -4.665 1.00 0.26 C ATOM 433 C LYS A 28 4.814 -5.312 -4.169 1.00 0.24 C ATOM 434 O LYS A 28 4.356 -6.373 -3.791 1.00 0.30 O ATOM 435 CB LYS A 28 3.670 -4.340 -6.175 1.00 0.31 C ATOM 436 CG LYS A 28 2.552 -3.396 -6.627 1.00 0.41 C ATOM 437 CD LYS A 28 2.102 -3.766 -8.044 1.00 0.51 C ATOM 438 CE LYS A 28 2.133 -2.522 -8.939 1.00 0.47 C ATOM 439 NZ LYS A 28 0.771 -1.911 -9.008 1.00 0.79 N ATOM 0 H LYS A 28 4.851 -2.361 -5.203 1.00 0.24 H new ATOM 0 HA LYS A 28 2.932 -4.256 -4.148 1.00 0.26 H new ATOM 0 HB2 LYS A 28 4.591 -4.112 -6.711 1.00 0.31 H new ATOM 0 HB3 LYS A 28 3.409 -5.371 -6.414 1.00 0.31 H new ATOM 0 HG2 LYS A 28 1.709 -3.460 -5.939 1.00 0.41 H new ATOM 0 HG3 LYS A 28 2.903 -2.364 -6.605 1.00 0.41 H new ATOM 0 HD2 LYS A 28 2.755 -4.536 -8.454 1.00 0.51 H new ATOM 0 HD3 LYS A 28 1.095 -4.182 -8.019 1.00 0.51 H new ATOM 0 HE2 LYS A 28 2.846 -1.798 -8.545 1.00 0.47 H new ATOM 0 HE3 LYS A 28 2.471 -2.791 -9.940 1.00 0.47 H new ATOM 0 HZ1 LYS A 28 0.851 -0.915 -9.298 1.00 0.79 H new ATOM 0 HZ2 LYS A 28 0.193 -2.428 -9.702 1.00 0.79 H new ATOM 0 HZ3 LYS A 28 0.319 -1.964 -8.073 1.00 0.79 H new ATOM 453 N LYS A 29 6.110 -5.083 -4.165 1.00 0.24 N ATOM 454 CA LYS A 29 7.073 -6.131 -3.692 1.00 0.25 C ATOM 455 C LYS A 29 6.885 -6.371 -2.187 1.00 0.24 C ATOM 456 O LYS A 29 6.928 -7.496 -1.724 1.00 0.28 O ATOM 457 CB LYS A 29 8.506 -5.664 -3.959 1.00 0.28 C ATOM 458 CG LYS A 29 8.856 -5.912 -5.429 1.00 0.30 C ATOM 459 CD LYS A 29 10.279 -5.426 -5.706 1.00 0.60 C ATOM 460 CE LYS A 29 10.385 -4.965 -7.161 1.00 0.92 C ATOM 461 NZ LYS A 29 11.483 -3.963 -7.288 1.00 1.49 N ATOM 0 H LYS A 29 6.542 -4.211 -4.471 1.00 0.24 H new ATOM 0 HA LYS A 29 6.885 -7.060 -4.230 1.00 0.25 H new ATOM 0 HB2 LYS A 29 8.605 -4.604 -3.724 1.00 0.28 H new ATOM 0 HB3 LYS A 29 9.201 -6.200 -3.313 1.00 0.28 H new ATOM 0 HG2 LYS A 29 8.772 -6.974 -5.659 1.00 0.30 H new ATOM 0 HG3 LYS A 29 8.150 -5.389 -6.075 1.00 0.30 H new ATOM 0 HD2 LYS A 29 10.532 -4.606 -5.034 1.00 0.60 H new ATOM 0 HD3 LYS A 29 10.992 -6.227 -5.514 1.00 0.60 H new ATOM 0 HE2 LYS A 29 10.580 -5.818 -7.810 1.00 0.92 H new ATOM 0 HE3 LYS A 29 9.440 -4.528 -7.485 1.00 0.92 H new ATOM 0 HZ1 LYS A 29 11.555 -3.650 -8.277 1.00 1.49 H new ATOM 0 HZ2 LYS A 29 11.278 -3.145 -6.680 1.00 1.49 H new ATOM 0 HZ3 LYS A 29 12.383 -4.395 -6.996 1.00 1.49 H new ATOM 475 N VAL A 30 6.677 -5.322 -1.424 1.00 0.23 N ATOM 476 CA VAL A 30 6.478 -5.483 0.052 1.00 0.24 C ATOM 477 C VAL A 30 5.040 -5.944 0.322 1.00 0.24 C ATOM 478 O VAL A 30 4.798 -6.762 1.190 1.00 0.30 O ATOM 479 CB VAL A 30 6.731 -4.143 0.759 1.00 0.30 C ATOM 480 CG1 VAL A 30 6.639 -4.334 2.275 1.00 0.35 C ATOM 481 CG2 VAL A 30 8.131 -3.628 0.404 1.00 0.35 C ATOM 0 H VAL A 30 6.637 -4.360 -1.761 1.00 0.23 H new ATOM 0 HA VAL A 30 7.178 -6.226 0.434 1.00 0.24 H new ATOM 0 HB VAL A 30 5.981 -3.422 0.434 1.00 0.30 H new ATOM 0 HG11 VAL A 30 6.819 -3.381 2.773 1.00 0.35 H new ATOM 0 HG12 VAL A 30 5.645 -4.698 2.536 1.00 0.35 H new ATOM 0 HG13 VAL A 30 7.387 -5.059 2.596 1.00 0.35 H new ATOM 0 HG21 VAL A 30 8.307 -2.677 0.907 1.00 0.35 H new ATOM 0 HG22 VAL A 30 8.878 -4.353 0.726 1.00 0.35 H new ATOM 0 HG23 VAL A 30 8.204 -3.487 -0.674 1.00 0.35 H new ATOM 491 N LEU A 31 4.089 -5.425 -0.423 1.00 0.24 N ATOM 492 CA LEU A 31 2.660 -5.823 -0.225 1.00 0.26 C ATOM 493 C LEU A 31 2.467 -7.294 -0.628 1.00 0.24 C ATOM 494 O LEU A 31 1.739 -8.022 0.019 1.00 0.30 O ATOM 495 CB LEU A 31 1.762 -4.929 -1.087 1.00 0.30 C ATOM 496 CG LEU A 31 0.290 -5.183 -0.745 1.00 0.32 C ATOM 497 CD1 LEU A 31 -0.012 -4.665 0.664 1.00 0.54 C ATOM 498 CD2 LEU A 31 -0.597 -4.453 -1.755 1.00 0.37 C ATOM 0 H LEU A 31 4.245 -4.740 -1.162 1.00 0.24 H new ATOM 0 HA LEU A 31 2.393 -5.705 0.825 1.00 0.26 H new ATOM 0 HB2 LEU A 31 2.008 -3.881 -0.918 1.00 0.30 H new ATOM 0 HB3 LEU A 31 1.939 -5.131 -2.143 1.00 0.30 H new ATOM 0 HG LEU A 31 0.090 -6.254 -0.785 1.00 0.32 H new ATOM 0 HD11 LEU A 31 -1.060 -4.848 0.902 1.00 0.54 H new ATOM 0 HD12 LEU A 31 0.620 -5.183 1.385 1.00 0.54 H new ATOM 0 HD13 LEU A 31 0.189 -3.595 0.709 1.00 0.54 H new ATOM 0 HD21 LEU A 31 -1.645 -4.632 -1.515 1.00 0.37 H new ATOM 0 HD22 LEU A 31 -0.392 -3.383 -1.713 1.00 0.37 H new ATOM 0 HD23 LEU A 31 -0.387 -4.823 -2.758 1.00 0.37 H new ATOM 510 N SER A 32 3.115 -7.730 -1.689 1.00 0.23 N ATOM 511 CA SER A 32 2.976 -9.154 -2.148 1.00 0.27 C ATOM 512 C SER A 32 3.375 -10.129 -1.027 1.00 0.26 C ATOM 513 O SER A 32 2.936 -11.262 -1.008 1.00 0.31 O ATOM 514 CB SER A 32 3.868 -9.394 -3.372 1.00 0.30 C ATOM 515 OG SER A 32 5.222 -9.106 -3.046 1.00 0.33 O ATOM 0 H SER A 32 3.737 -7.157 -2.259 1.00 0.23 H new ATOM 0 HA SER A 32 1.933 -9.330 -2.412 1.00 0.27 H new ATOM 0 HB2 SER A 32 3.776 -10.429 -3.703 1.00 0.30 H new ATOM 0 HB3 SER A 32 3.542 -8.764 -4.200 1.00 0.30 H new ATOM 0 HG SER A 32 5.252 -8.388 -2.380 1.00 0.33 H new ATOM 521 N LEU A 33 4.200 -9.703 -0.096 1.00 0.26 N ATOM 522 CA LEU A 33 4.616 -10.612 1.018 1.00 0.31 C ATOM 523 C LEU A 33 3.448 -10.800 2.000 1.00 0.32 C ATOM 524 O LEU A 33 3.300 -11.851 2.600 1.00 0.40 O ATOM 525 CB LEU A 33 5.811 -10.001 1.756 1.00 0.35 C ATOM 526 CG LEU A 33 7.065 -10.115 0.885 1.00 0.51 C ATOM 527 CD1 LEU A 33 8.029 -8.975 1.220 1.00 0.63 C ATOM 528 CD2 LEU A 33 7.751 -11.458 1.151 1.00 0.82 C ATOM 0 H LEU A 33 4.601 -8.766 -0.062 1.00 0.26 H new ATOM 0 HA LEU A 33 4.898 -11.581 0.606 1.00 0.31 H new ATOM 0 HB2 LEU A 33 5.611 -8.955 1.989 1.00 0.35 H new ATOM 0 HB3 LEU A 33 5.967 -10.515 2.705 1.00 0.35 H new ATOM 0 HG LEU A 33 6.782 -10.052 -0.166 1.00 0.51 H new ATOM 0 HD11 LEU A 33 8.921 -9.058 0.599 1.00 0.63 H new ATOM 0 HD12 LEU A 33 7.542 -8.019 1.029 1.00 0.63 H new ATOM 0 HD13 LEU A 33 8.312 -9.035 2.271 1.00 0.63 H new ATOM 0 HD21 LEU A 33 8.644 -11.540 0.531 1.00 0.82 H new ATOM 0 HD22 LEU A 33 8.032 -11.521 2.202 1.00 0.82 H new ATOM 0 HD23 LEU A 33 7.066 -12.271 0.909 1.00 0.82 H new ATOM 540 N GLN A 34 2.627 -9.787 2.173 1.00 0.29 N ATOM 541 CA GLN A 34 1.470 -9.889 3.120 1.00 0.35 C ATOM 542 C GLN A 34 0.277 -10.589 2.449 1.00 0.37 C ATOM 543 O GLN A 34 -0.349 -11.450 3.040 1.00 0.52 O ATOM 544 CB GLN A 34 1.050 -8.483 3.560 1.00 0.37 C ATOM 545 CG GLN A 34 2.042 -7.945 4.599 1.00 0.39 C ATOM 546 CD GLN A 34 3.111 -7.096 3.903 1.00 0.36 C ATOM 547 OE1 GLN A 34 4.273 -7.452 3.897 1.00 0.47 O ATOM 548 NE2 GLN A 34 2.768 -5.982 3.314 1.00 0.42 N ATOM 0 H GLN A 34 2.711 -8.890 1.695 1.00 0.29 H new ATOM 0 HA GLN A 34 1.778 -10.476 3.985 1.00 0.35 H new ATOM 0 HB2 GLN A 34 1.016 -7.817 2.698 1.00 0.37 H new ATOM 0 HB3 GLN A 34 0.046 -8.509 3.982 1.00 0.37 H new ATOM 0 HG2 GLN A 34 1.516 -7.346 5.342 1.00 0.39 H new ATOM 0 HG3 GLN A 34 2.511 -8.773 5.131 1.00 0.39 H new ATOM 0 HE21 GLN A 34 1.793 -5.682 3.318 1.00 0.42 H new ATOM 0 HE22 GLN A 34 3.475 -5.412 2.850 1.00 0.42 H new ATOM 557 N ILE A 35 -0.055 -10.215 1.231 1.00 0.35 N ATOM 558 CA ILE A 35 -1.226 -10.850 0.536 1.00 0.41 C ATOM 559 C ILE A 35 -0.780 -12.088 -0.259 1.00 0.40 C ATOM 560 O ILE A 35 -1.427 -13.119 -0.213 1.00 0.55 O ATOM 561 CB ILE A 35 -1.908 -9.835 -0.401 1.00 0.45 C ATOM 562 CG1 ILE A 35 -0.873 -9.161 -1.315 1.00 0.44 C ATOM 563 CG2 ILE A 35 -2.609 -8.766 0.441 1.00 0.50 C ATOM 564 CD1 ILE A 35 -1.567 -8.133 -2.213 1.00 0.52 C ATOM 0 H ILE A 35 0.433 -9.500 0.691 1.00 0.35 H new ATOM 0 HA ILE A 35 -1.943 -11.166 1.294 1.00 0.41 H new ATOM 0 HB ILE A 35 -2.633 -10.362 -1.022 1.00 0.45 H new ATOM 0 HG12 ILE A 35 -0.106 -8.673 -0.714 1.00 0.44 H new ATOM 0 HG13 ILE A 35 -0.370 -9.911 -1.926 1.00 0.44 H new ATOM 0 HG21 ILE A 35 -3.094 -8.045 -0.217 1.00 0.50 H new ATOM 0 HG22 ILE A 35 -3.358 -9.237 1.077 1.00 0.50 H new ATOM 0 HG23 ILE A 35 -1.875 -8.254 1.063 1.00 0.50 H new ATOM 0 HD11 ILE A 35 -0.829 -7.658 -2.859 1.00 0.52 H new ATOM 0 HD12 ILE A 35 -2.318 -8.633 -2.825 1.00 0.52 H new ATOM 0 HD13 ILE A 35 -2.049 -7.376 -1.594 1.00 0.52 H new ATOM 576 N GLY A 36 0.317 -12.003 -0.977 1.00 0.30 N ATOM 577 CA GLY A 36 0.803 -13.181 -1.765 1.00 0.33 C ATOM 578 C GLY A 36 0.310 -13.089 -3.213 1.00 0.32 C ATOM 579 O GLY A 36 -0.381 -13.967 -3.695 1.00 0.43 O ATOM 0 H GLY A 36 0.897 -11.167 -1.051 1.00 0.30 H new ATOM 0 HA2 GLY A 36 1.892 -13.216 -1.746 1.00 0.33 H new ATOM 0 HA3 GLY A 36 0.446 -14.105 -1.310 1.00 0.33 H new ATOM 583 N THR A 37 0.669 -12.034 -3.908 1.00 0.28 N ATOM 584 CA THR A 37 0.233 -11.874 -5.336 1.00 0.29 C ATOM 585 C THR A 37 1.435 -11.503 -6.226 1.00 0.27 C ATOM 586 O THR A 37 1.274 -11.271 -7.410 1.00 0.30 O ATOM 587 CB THR A 37 -0.837 -10.768 -5.445 1.00 0.32 C ATOM 588 OG1 THR A 37 -0.849 -9.972 -4.266 1.00 0.35 O ATOM 589 CG2 THR A 37 -2.214 -11.400 -5.644 1.00 0.39 C ATOM 0 H THR A 37 1.247 -11.274 -3.548 1.00 0.28 H new ATOM 0 HA THR A 37 -0.187 -12.822 -5.673 1.00 0.29 H new ATOM 0 HB THR A 37 -0.597 -10.134 -6.299 1.00 0.32 H new ATOM 0 HG1 THR A 37 0.057 -9.647 -4.081 1.00 0.35 H new ATOM 0 HG21 THR A 37 -2.967 -10.615 -5.720 1.00 0.39 H new ATOM 0 HG22 THR A 37 -2.213 -11.993 -6.559 1.00 0.39 H new ATOM 0 HG23 THR A 37 -2.445 -12.043 -4.795 1.00 0.39 H new ATOM 597 N GLN A 38 2.635 -11.451 -5.668 1.00 0.27 N ATOM 598 CA GLN A 38 3.857 -11.097 -6.467 1.00 0.28 C ATOM 599 C GLN A 38 3.751 -9.655 -7.003 1.00 0.28 C ATOM 600 O GLN A 38 2.664 -9.128 -7.159 1.00 0.30 O ATOM 601 CB GLN A 38 4.012 -12.075 -7.641 1.00 0.32 C ATOM 602 CG GLN A 38 4.744 -13.332 -7.166 1.00 0.50 C ATOM 603 CD GLN A 38 3.824 -14.547 -7.315 1.00 1.29 C ATOM 604 OE1 GLN A 38 3.810 -15.190 -8.346 1.00 1.88 O ATOM 605 NE2 GLN A 38 3.049 -14.892 -6.321 1.00 1.74 N ATOM 0 H GLN A 38 2.815 -11.642 -4.682 1.00 0.27 H new ATOM 0 HA GLN A 38 4.730 -11.167 -5.818 1.00 0.28 H new ATOM 0 HB2 GLN A 38 3.032 -12.340 -8.039 1.00 0.32 H new ATOM 0 HB3 GLN A 38 4.567 -11.602 -8.451 1.00 0.32 H new ATOM 0 HG2 GLN A 38 5.654 -13.478 -7.749 1.00 0.50 H new ATOM 0 HG3 GLN A 38 5.047 -13.218 -6.125 1.00 0.50 H new ATOM 0 HE21 GLN A 38 3.060 -14.353 -5.455 1.00 1.74 H new ATOM 0 HE22 GLN A 38 2.433 -15.700 -6.411 1.00 1.74 H new ATOM 614 N PRO A 39 4.893 -9.058 -7.275 1.00 0.30 N ATOM 615 CA PRO A 39 4.967 -7.679 -7.803 1.00 0.32 C ATOM 616 C PRO A 39 4.625 -7.673 -9.305 1.00 0.35 C ATOM 617 O PRO A 39 5.451 -7.357 -10.146 1.00 0.46 O ATOM 618 CB PRO A 39 6.425 -7.278 -7.548 1.00 0.38 C ATOM 619 CG PRO A 39 7.227 -8.595 -7.428 1.00 0.40 C ATOM 620 CD PRO A 39 6.212 -9.699 -7.078 1.00 0.35 C ATOM 0 HA PRO A 39 4.265 -6.989 -7.336 1.00 0.32 H new ATOM 0 HB2 PRO A 39 6.807 -6.664 -8.364 1.00 0.38 H new ATOM 0 HB3 PRO A 39 6.511 -6.687 -6.636 1.00 0.38 H new ATOM 0 HG2 PRO A 39 7.740 -8.823 -8.362 1.00 0.40 H new ATOM 0 HG3 PRO A 39 7.992 -8.514 -6.656 1.00 0.40 H new ATOM 0 HD2 PRO A 39 6.332 -10.569 -7.724 1.00 0.35 H new ATOM 0 HD3 PRO A 39 6.337 -10.044 -6.052 1.00 0.35 H new ATOM 628 N ASN A 40 3.405 -8.030 -9.636 1.00 0.33 N ATOM 629 CA ASN A 40 2.969 -8.069 -11.068 1.00 0.37 C ATOM 630 C ASN A 40 1.447 -8.255 -11.135 1.00 0.36 C ATOM 631 O ASN A 40 0.773 -7.626 -11.932 1.00 0.42 O ATOM 632 CB ASN A 40 3.652 -9.245 -11.780 1.00 0.41 C ATOM 633 CG ASN A 40 4.210 -8.783 -13.131 1.00 0.58 C ATOM 634 OD1 ASN A 40 5.186 -8.062 -13.184 1.00 1.08 O ATOM 635 ND2 ASN A 40 3.627 -9.175 -14.233 1.00 1.44 N ATOM 0 H ASN A 40 2.685 -8.299 -8.965 1.00 0.33 H new ATOM 0 HA ASN A 40 3.246 -7.134 -11.555 1.00 0.37 H new ATOM 0 HB2 ASN A 40 4.457 -9.639 -11.160 1.00 0.41 H new ATOM 0 HB3 ASN A 40 2.938 -10.055 -11.929 1.00 0.41 H new ATOM 0 HD21 ASN A 40 3.992 -8.875 -15.137 1.00 1.44 H new ATOM 0 HD22 ASN A 40 2.807 -9.781 -14.189 1.00 1.44 H new ATOM 642 N LYS A 41 0.903 -9.114 -10.298 1.00 0.32 N ATOM 643 CA LYS A 41 -0.575 -9.352 -10.295 1.00 0.35 C ATOM 644 C LYS A 41 -1.260 -8.424 -9.274 1.00 0.31 C ATOM 645 O LYS A 41 -2.442 -8.555 -9.007 1.00 0.35 O ATOM 646 CB LYS A 41 -0.846 -10.815 -9.925 1.00 0.40 C ATOM 647 CG LYS A 41 -2.078 -11.316 -10.683 1.00 0.53 C ATOM 648 CD LYS A 41 -2.561 -12.631 -10.065 1.00 0.60 C ATOM 649 CE LYS A 41 -3.645 -12.343 -9.018 1.00 0.71 C ATOM 650 NZ LYS A 41 -4.994 -12.563 -9.616 1.00 0.81 N ATOM 0 H LYS A 41 1.426 -9.662 -9.614 1.00 0.32 H new ATOM 0 HA LYS A 41 -0.977 -9.140 -11.286 1.00 0.35 H new ATOM 0 HB2 LYS A 41 0.020 -11.429 -10.171 1.00 0.40 H new ATOM 0 HB3 LYS A 41 -1.006 -10.905 -8.851 1.00 0.40 H new ATOM 0 HG2 LYS A 41 -2.871 -10.570 -10.641 1.00 0.53 H new ATOM 0 HG3 LYS A 41 -1.835 -11.464 -11.735 1.00 0.53 H new ATOM 0 HD2 LYS A 41 -2.957 -13.285 -10.842 1.00 0.60 H new ATOM 0 HD3 LYS A 41 -1.725 -13.155 -9.602 1.00 0.60 H new ATOM 0 HE2 LYS A 41 -3.510 -12.992 -8.153 1.00 0.71 H new ATOM 0 HE3 LYS A 41 -3.557 -11.316 -8.663 1.00 0.71 H new ATOM 0 HZ1 LYS A 41 -5.709 -12.584 -8.861 1.00 0.81 H new ATOM 0 HZ2 LYS A 41 -5.211 -11.790 -10.277 1.00 0.81 H new ATOM 0 HZ3 LYS A 41 -5.004 -13.469 -10.127 1.00 0.81 H new ATOM 664 N ILE A 42 -0.530 -7.486 -8.706 1.00 0.27 N ATOM 665 CA ILE A 42 -1.132 -6.550 -7.706 1.00 0.26 C ATOM 666 C ILE A 42 -1.512 -5.236 -8.403 1.00 0.25 C ATOM 667 O ILE A 42 -0.759 -4.701 -9.199 1.00 0.33 O ATOM 668 CB ILE A 42 -0.114 -6.258 -6.593 1.00 0.26 C ATOM 669 CG1 ILE A 42 0.226 -7.556 -5.854 1.00 0.30 C ATOM 670 CG2 ILE A 42 -0.703 -5.250 -5.600 1.00 0.32 C ATOM 671 CD1 ILE A 42 1.421 -7.322 -4.925 1.00 0.36 C ATOM 0 H ILE A 42 0.460 -7.332 -8.896 1.00 0.27 H new ATOM 0 HA ILE A 42 -2.022 -7.007 -7.273 1.00 0.26 H new ATOM 0 HB ILE A 42 0.790 -5.842 -7.038 1.00 0.26 H new ATOM 0 HG12 ILE A 42 -0.635 -7.894 -5.277 1.00 0.30 H new ATOM 0 HG13 ILE A 42 0.459 -8.344 -6.571 1.00 0.30 H new ATOM 0 HG21 ILE A 42 0.024 -5.047 -4.813 1.00 0.32 H new ATOM 0 HG22 ILE A 42 -0.942 -4.323 -6.121 1.00 0.32 H new ATOM 0 HG23 ILE A 42 -1.610 -5.662 -5.158 1.00 0.32 H new ATOM 0 HD11 ILE A 42 1.661 -8.247 -4.401 1.00 0.36 H new ATOM 0 HD12 ILE A 42 2.282 -7.005 -5.513 1.00 0.36 H new ATOM 0 HD13 ILE A 42 1.172 -6.548 -4.199 1.00 0.36 H new ATOM 683 N VAL A 43 -2.678 -4.716 -8.099 1.00 0.25 N ATOM 684 CA VAL A 43 -3.132 -3.436 -8.722 1.00 0.26 C ATOM 685 C VAL A 43 -3.431 -2.424 -7.608 1.00 0.25 C ATOM 686 O VAL A 43 -4.321 -2.626 -6.799 1.00 0.35 O ATOM 687 CB VAL A 43 -4.398 -3.691 -9.554 1.00 0.31 C ATOM 688 CG1 VAL A 43 -4.833 -2.396 -10.248 1.00 0.37 C ATOM 689 CG2 VAL A 43 -4.109 -4.763 -10.611 1.00 0.41 C ATOM 0 H VAL A 43 -3.338 -5.129 -7.440 1.00 0.25 H new ATOM 0 HA VAL A 43 -2.354 -3.041 -9.376 1.00 0.26 H new ATOM 0 HB VAL A 43 -5.197 -4.033 -8.896 1.00 0.31 H new ATOM 0 HG11 VAL A 43 -5.731 -2.583 -10.837 1.00 0.37 H new ATOM 0 HG12 VAL A 43 -5.043 -1.634 -9.498 1.00 0.37 H new ATOM 0 HG13 VAL A 43 -4.035 -2.049 -10.904 1.00 0.37 H new ATOM 0 HG21 VAL A 43 -5.007 -4.944 -11.201 1.00 0.41 H new ATOM 0 HG22 VAL A 43 -3.307 -4.421 -11.266 1.00 0.41 H new ATOM 0 HG23 VAL A 43 -3.806 -5.687 -10.119 1.00 0.41 H new ATOM 699 N LEU A 44 -2.690 -1.344 -7.557 1.00 0.24 N ATOM 700 CA LEU A 44 -2.916 -0.318 -6.491 1.00 0.25 C ATOM 701 C LEU A 44 -3.760 0.835 -7.048 1.00 0.27 C ATOM 702 O LEU A 44 -3.511 1.329 -8.135 1.00 0.37 O ATOM 703 CB LEU A 44 -1.565 0.220 -6.008 1.00 0.30 C ATOM 704 CG LEU A 44 -0.944 -0.768 -5.016 1.00 0.54 C ATOM 705 CD1 LEU A 44 0.578 -0.755 -5.167 1.00 0.78 C ATOM 706 CD2 LEU A 44 -1.320 -0.359 -3.588 1.00 0.86 C ATOM 0 H LEU A 44 -1.936 -1.128 -8.209 1.00 0.24 H new ATOM 0 HA LEU A 44 -3.446 -0.776 -5.656 1.00 0.25 H new ATOM 0 HB2 LEU A 44 -0.897 0.368 -6.856 1.00 0.30 H new ATOM 0 HB3 LEU A 44 -1.698 1.192 -5.534 1.00 0.30 H new ATOM 0 HG LEU A 44 -1.319 -1.771 -5.218 1.00 0.54 H new ATOM 0 HD11 LEU A 44 1.020 -1.458 -4.461 1.00 0.78 H new ATOM 0 HD12 LEU A 44 0.845 -1.045 -6.183 1.00 0.78 H new ATOM 0 HD13 LEU A 44 0.955 0.247 -4.965 1.00 0.78 H new ATOM 0 HD21 LEU A 44 -0.879 -1.061 -2.880 1.00 0.86 H new ATOM 0 HD22 LEU A 44 -0.944 0.644 -3.386 1.00 0.86 H new ATOM 0 HD23 LEU A 44 -2.405 -0.369 -3.480 1.00 0.86 H new ATOM 718 N GLN A 45 -4.758 1.263 -6.308 1.00 0.28 N ATOM 719 CA GLN A 45 -5.628 2.387 -6.782 1.00 0.32 C ATOM 720 C GLN A 45 -5.609 3.516 -5.744 1.00 0.31 C ATOM 721 O GLN A 45 -5.884 3.302 -4.576 1.00 0.47 O ATOM 722 CB GLN A 45 -7.072 1.896 -6.979 1.00 0.38 C ATOM 723 CG GLN A 45 -7.076 0.473 -7.551 1.00 0.43 C ATOM 724 CD GLN A 45 -8.117 0.370 -8.670 1.00 0.60 C ATOM 725 OE1 GLN A 45 -9.254 0.020 -8.428 1.00 0.84 O ATOM 726 NE2 GLN A 45 -7.771 0.663 -9.896 1.00 1.02 N ATOM 0 H GLN A 45 -5.007 0.881 -5.395 1.00 0.28 H new ATOM 0 HA GLN A 45 -5.247 2.754 -7.735 1.00 0.32 H new ATOM 0 HB2 GLN A 45 -7.603 1.914 -6.027 1.00 0.38 H new ATOM 0 HB3 GLN A 45 -7.603 2.568 -7.653 1.00 0.38 H new ATOM 0 HG2 GLN A 45 -6.088 0.223 -7.936 1.00 0.43 H new ATOM 0 HG3 GLN A 45 -7.302 -0.245 -6.763 1.00 0.43 H new ATOM 0 HE21 GLN A 45 -6.816 0.957 -10.100 1.00 1.02 H new ATOM 0 HE22 GLN A 45 -8.456 0.598 -10.649 1.00 1.02 H new ATOM 735 N LYS A 46 -5.281 4.714 -6.166 1.00 0.32 N ATOM 736 CA LYS A 46 -5.232 5.870 -5.218 1.00 0.35 C ATOM 737 C LYS A 46 -6.224 6.949 -5.676 1.00 0.43 C ATOM 738 O LYS A 46 -5.935 7.738 -6.561 1.00 0.53 O ATOM 739 CB LYS A 46 -3.808 6.439 -5.195 1.00 0.41 C ATOM 740 CG LYS A 46 -3.578 7.214 -3.894 1.00 0.66 C ATOM 741 CD LYS A 46 -2.076 7.449 -3.702 1.00 0.69 C ATOM 742 CE LYS A 46 -1.852 8.455 -2.570 1.00 0.70 C ATOM 743 NZ LYS A 46 -2.036 7.783 -1.250 1.00 0.82 N ATOM 0 H LYS A 46 -5.044 4.941 -7.132 1.00 0.32 H new ATOM 0 HA LYS A 46 -5.505 5.541 -4.215 1.00 0.35 H new ATOM 0 HB2 LYS A 46 -3.082 5.630 -5.280 1.00 0.41 H new ATOM 0 HB3 LYS A 46 -3.655 7.096 -6.052 1.00 0.41 H new ATOM 0 HG2 LYS A 46 -4.105 8.167 -3.927 1.00 0.66 H new ATOM 0 HG3 LYS A 46 -3.981 6.656 -3.049 1.00 0.66 H new ATOM 0 HD2 LYS A 46 -1.578 6.508 -3.469 1.00 0.69 H new ATOM 0 HD3 LYS A 46 -1.635 7.823 -4.626 1.00 0.69 H new ATOM 0 HE2 LYS A 46 -0.848 8.874 -2.638 1.00 0.70 H new ATOM 0 HE3 LYS A 46 -2.552 9.285 -2.666 1.00 0.70 H new ATOM 0 HZ1 LYS A 46 -1.883 8.471 -0.486 1.00 0.82 H new ATOM 0 HZ2 LYS A 46 -3.002 7.403 -1.185 1.00 0.82 H new ATOM 0 HZ3 LYS A 46 -1.352 7.005 -1.158 1.00 0.82 H new ATOM 757 N GLY A 47 -7.395 6.982 -5.078 1.00 0.59 N ATOM 758 CA GLY A 47 -8.423 7.999 -5.464 1.00 0.76 C ATOM 759 C GLY A 47 -8.864 7.771 -6.914 1.00 0.64 C ATOM 760 O GLY A 47 -8.936 8.701 -7.699 1.00 0.73 O ATOM 0 H GLY A 47 -7.681 6.344 -4.336 1.00 0.59 H new ATOM 0 HA2 GLY A 47 -9.283 7.930 -4.798 1.00 0.76 H new ATOM 0 HA3 GLY A 47 -8.013 9.003 -5.353 1.00 0.76 H new ATOM 764 N GLY A 48 -9.158 6.541 -7.273 1.00 0.57 N ATOM 765 CA GLY A 48 -9.595 6.236 -8.672 1.00 0.55 C ATOM 766 C GLY A 48 -8.431 6.465 -9.643 1.00 0.50 C ATOM 767 O GLY A 48 -8.591 7.094 -10.674 1.00 0.64 O ATOM 0 H GLY A 48 -9.113 5.733 -6.652 1.00 0.57 H new ATOM 0 HA2 GLY A 48 -9.938 5.203 -8.738 1.00 0.55 H new ATOM 0 HA3 GLY A 48 -10.438 6.870 -8.945 1.00 0.55 H new ATOM 771 N SER A 49 -7.263 5.955 -9.320 1.00 0.41 N ATOM 772 CA SER A 49 -6.077 6.130 -10.216 1.00 0.43 C ATOM 773 C SER A 49 -5.201 4.873 -10.146 1.00 0.35 C ATOM 774 O SER A 49 -4.868 4.401 -9.073 1.00 0.36 O ATOM 775 CB SER A 49 -5.267 7.346 -9.756 1.00 0.54 C ATOM 776 OG SER A 49 -4.845 8.087 -10.895 1.00 1.04 O ATOM 0 H SER A 49 -7.082 5.423 -8.469 1.00 0.41 H new ATOM 0 HA SER A 49 -6.411 6.285 -11.242 1.00 0.43 H new ATOM 0 HB2 SER A 49 -5.872 7.974 -9.102 1.00 0.54 H new ATOM 0 HB3 SER A 49 -4.402 7.023 -9.177 1.00 0.54 H new ATOM 0 HG SER A 49 -4.328 8.867 -10.605 1.00 1.04 H new ATOM 782 N VAL A 50 -4.829 4.328 -11.279 1.00 0.37 N ATOM 783 CA VAL A 50 -3.978 3.095 -11.283 1.00 0.36 C ATOM 784 C VAL A 50 -2.513 3.477 -11.031 1.00 0.31 C ATOM 785 O VAL A 50 -1.917 4.227 -11.786 1.00 0.41 O ATOM 786 CB VAL A 50 -4.108 2.382 -12.638 1.00 0.50 C ATOM 787 CG1 VAL A 50 -3.289 1.088 -12.623 1.00 0.61 C ATOM 788 CG2 VAL A 50 -5.581 2.042 -12.894 1.00 0.61 C ATOM 0 H VAL A 50 -5.078 4.683 -12.202 1.00 0.37 H new ATOM 0 HA VAL A 50 -4.312 2.423 -10.493 1.00 0.36 H new ATOM 0 HB VAL A 50 -3.737 3.037 -13.426 1.00 0.50 H new ATOM 0 HG11 VAL A 50 -3.384 0.586 -13.586 1.00 0.61 H new ATOM 0 HG12 VAL A 50 -2.241 1.323 -12.438 1.00 0.61 H new ATOM 0 HG13 VAL A 50 -3.658 0.433 -11.834 1.00 0.61 H new ATOM 0 HG21 VAL A 50 -5.676 1.536 -13.855 1.00 0.61 H new ATOM 0 HG22 VAL A 50 -5.946 1.388 -12.102 1.00 0.61 H new ATOM 0 HG23 VAL A 50 -6.169 2.960 -12.907 1.00 0.61 H new ATOM 798 N LEU A 51 -1.935 2.961 -9.969 1.00 0.26 N ATOM 799 CA LEU A 51 -0.509 3.277 -9.647 1.00 0.26 C ATOM 800 C LEU A 51 0.404 2.313 -10.414 1.00 0.28 C ATOM 801 O LEU A 51 0.279 1.105 -10.301 1.00 0.44 O ATOM 802 CB LEU A 51 -0.265 3.127 -8.136 1.00 0.33 C ATOM 803 CG LEU A 51 -1.363 3.854 -7.345 1.00 0.29 C ATOM 804 CD1 LEU A 51 -1.071 3.746 -5.846 1.00 0.42 C ATOM 805 CD2 LEU A 51 -1.402 5.333 -7.746 1.00 0.31 C ATOM 0 H LEU A 51 -2.394 2.332 -9.310 1.00 0.26 H new ATOM 0 HA LEU A 51 -0.291 4.304 -9.940 1.00 0.26 H new ATOM 0 HB2 LEU A 51 -0.251 2.071 -7.866 1.00 0.33 H new ATOM 0 HB3 LEU A 51 0.711 3.536 -7.876 1.00 0.33 H new ATOM 0 HG LEU A 51 -2.326 3.393 -7.567 1.00 0.29 H new ATOM 0 HD11 LEU A 51 -1.850 4.262 -5.285 1.00 0.42 H new ATOM 0 HD12 LEU A 51 -1.049 2.696 -5.554 1.00 0.42 H new ATOM 0 HD13 LEU A 51 -0.105 4.203 -5.630 1.00 0.42 H new ATOM 0 HD21 LEU A 51 -2.183 5.843 -7.181 1.00 0.31 H new ATOM 0 HD22 LEU A 51 -0.438 5.794 -7.530 1.00 0.31 H new ATOM 0 HD23 LEU A 51 -1.613 5.415 -8.812 1.00 0.31 H new ATOM 817 N LYS A 52 1.314 2.841 -11.198 1.00 0.27 N ATOM 818 CA LYS A 52 2.236 1.968 -11.988 1.00 0.29 C ATOM 819 C LYS A 52 3.633 1.975 -11.359 1.00 0.26 C ATOM 820 O LYS A 52 4.055 2.951 -10.762 1.00 0.27 O ATOM 821 CB LYS A 52 2.320 2.485 -13.427 1.00 0.35 C ATOM 822 CG LYS A 52 1.710 1.453 -14.377 1.00 0.62 C ATOM 823 CD LYS A 52 2.828 0.653 -15.054 1.00 0.95 C ATOM 824 CE LYS A 52 2.645 0.700 -16.573 1.00 1.39 C ATOM 825 NZ LYS A 52 3.958 0.974 -17.223 1.00 2.15 N ATOM 0 H LYS A 52 1.457 3.843 -11.324 1.00 0.27 H new ATOM 0 HA LYS A 52 1.850 0.948 -11.987 1.00 0.29 H new ATOM 0 HB2 LYS A 52 1.791 3.434 -13.515 1.00 0.35 H new ATOM 0 HB3 LYS A 52 3.359 2.674 -13.697 1.00 0.35 H new ATOM 0 HG2 LYS A 52 1.051 0.782 -13.826 1.00 0.62 H new ATOM 0 HG3 LYS A 52 1.100 1.953 -15.129 1.00 0.62 H new ATOM 0 HD2 LYS A 52 3.800 1.065 -14.782 1.00 0.95 H new ATOM 0 HD3 LYS A 52 2.811 -0.380 -14.707 1.00 0.95 H new ATOM 0 HE2 LYS A 52 2.240 -0.247 -16.931 1.00 1.39 H new ATOM 0 HE3 LYS A 52 1.926 1.475 -16.840 1.00 1.39 H new ATOM 0 HZ1 LYS A 52 3.989 1.965 -17.538 1.00 2.15 H new ATOM 0 HZ2 LYS A 52 4.725 0.803 -16.542 1.00 2.15 H new ATOM 0 HZ3 LYS A 52 4.077 0.346 -18.043 1.00 2.15 H new ATOM 839 N ASP A 53 4.351 0.884 -11.499 1.00 0.29 N ATOM 840 CA ASP A 53 5.731 0.789 -10.923 1.00 0.31 C ATOM 841 C ASP A 53 6.659 1.824 -11.578 1.00 0.32 C ATOM 842 O ASP A 53 7.617 2.272 -10.975 1.00 0.38 O ATOM 843 CB ASP A 53 6.290 -0.623 -11.163 1.00 0.38 C ATOM 844 CG ASP A 53 6.417 -0.893 -12.670 1.00 0.42 C ATOM 845 OD1 ASP A 53 5.414 -1.226 -13.283 1.00 0.53 O ATOM 846 OD2 ASP A 53 7.517 -0.764 -13.183 1.00 0.52 O ATOM 0 H ASP A 53 4.036 0.048 -11.992 1.00 0.29 H new ATOM 0 HA ASP A 53 5.680 0.990 -9.853 1.00 0.31 H new ATOM 0 HB2 ASP A 53 7.264 -0.723 -10.685 1.00 0.38 H new ATOM 0 HB3 ASP A 53 5.634 -1.364 -10.707 1.00 0.38 H new ATOM 851 N HIS A 54 6.380 2.202 -12.807 1.00 0.32 N ATOM 852 CA HIS A 54 7.239 3.202 -13.516 1.00 0.37 C ATOM 853 C HIS A 54 7.149 4.583 -12.836 1.00 0.36 C ATOM 854 O HIS A 54 7.959 5.454 -13.100 1.00 0.50 O ATOM 855 CB HIS A 54 6.775 3.319 -14.972 1.00 0.42 C ATOM 856 CG HIS A 54 7.368 2.195 -15.779 1.00 0.50 C ATOM 857 ND1 HIS A 54 6.847 0.911 -15.752 1.00 0.76 N ATOM 858 CD2 HIS A 54 8.440 2.146 -16.635 1.00 0.67 C ATOM 859 CE1 HIS A 54 7.601 0.151 -16.567 1.00 0.82 C ATOM 860 NE2 HIS A 54 8.585 0.855 -17.131 1.00 0.75 N ATOM 0 H HIS A 54 5.589 1.857 -13.350 1.00 0.32 H new ATOM 0 HA HIS A 54 8.275 2.865 -13.477 1.00 0.37 H new ATOM 0 HB2 HIS A 54 5.687 3.282 -15.022 1.00 0.42 H new ATOM 0 HB3 HIS A 54 7.081 4.280 -15.386 1.00 0.42 H new ATOM 0 HD2 HIS A 54 9.075 2.983 -16.885 1.00 0.67 H new ATOM 0 HE1 HIS A 54 7.431 -0.901 -16.743 1.00 0.82 H new ATOM 0 HE2 HIS A 54 9.291 0.518 -17.785 1.00 0.75 H new ATOM 868 N ILE A 55 6.181 4.790 -11.968 1.00 0.27 N ATOM 869 CA ILE A 55 6.049 6.114 -11.280 1.00 0.29 C ATOM 870 C ILE A 55 6.449 5.970 -9.805 1.00 0.26 C ATOM 871 O ILE A 55 6.169 4.966 -9.170 1.00 0.28 O ATOM 872 CB ILE A 55 4.598 6.604 -11.385 1.00 0.32 C ATOM 873 CG1 ILE A 55 4.242 6.836 -12.859 1.00 0.41 C ATOM 874 CG2 ILE A 55 4.440 7.922 -10.619 1.00 0.38 C ATOM 875 CD1 ILE A 55 3.622 5.567 -13.448 1.00 0.49 C ATOM 0 H ILE A 55 5.478 4.098 -11.708 1.00 0.27 H new ATOM 0 HA ILE A 55 6.707 6.840 -11.758 1.00 0.29 H new ATOM 0 HB ILE A 55 3.935 5.852 -10.958 1.00 0.32 H new ATOM 0 HG12 ILE A 55 3.543 7.668 -12.947 1.00 0.41 H new ATOM 0 HG13 ILE A 55 5.136 7.109 -13.420 1.00 0.41 H new ATOM 0 HG21 ILE A 55 3.409 8.266 -10.696 1.00 0.38 H new ATOM 0 HG22 ILE A 55 4.693 7.766 -9.570 1.00 0.38 H new ATOM 0 HG23 ILE A 55 5.106 8.673 -11.045 1.00 0.38 H new ATOM 0 HD11 ILE A 55 3.371 5.737 -14.495 1.00 0.49 H new ATOM 0 HD12 ILE A 55 4.335 4.746 -13.374 1.00 0.49 H new ATOM 0 HD13 ILE A 55 2.718 5.313 -12.895 1.00 0.49 H new ATOM 887 N SER A 56 7.105 6.969 -9.262 1.00 0.28 N ATOM 888 CA SER A 56 7.535 6.909 -7.831 1.00 0.28 C ATOM 889 C SER A 56 6.352 7.229 -6.909 1.00 0.25 C ATOM 890 O SER A 56 5.435 7.942 -7.282 1.00 0.28 O ATOM 891 CB SER A 56 8.657 7.922 -7.588 1.00 0.33 C ATOM 892 OG SER A 56 9.615 7.359 -6.701 1.00 0.67 O ATOM 0 H SER A 56 7.361 7.826 -9.752 1.00 0.28 H new ATOM 0 HA SER A 56 7.895 5.903 -7.613 1.00 0.28 H new ATOM 0 HB2 SER A 56 9.132 8.189 -8.532 1.00 0.33 H new ATOM 0 HB3 SER A 56 8.248 8.840 -7.165 1.00 0.33 H new ATOM 0 HG SER A 56 10.335 8.005 -6.545 1.00 0.67 H new ATOM 898 N LEU A 57 6.375 6.709 -5.702 1.00 0.26 N ATOM 899 CA LEU A 57 5.266 6.975 -4.731 1.00 0.28 C ATOM 900 C LEU A 57 5.184 8.482 -4.448 1.00 0.29 C ATOM 901 O LEU A 57 4.109 9.023 -4.264 1.00 0.35 O ATOM 902 CB LEU A 57 5.533 6.221 -3.424 1.00 0.31 C ATOM 903 CG LEU A 57 5.367 4.714 -3.652 1.00 0.35 C ATOM 904 CD1 LEU A 57 6.003 3.947 -2.491 1.00 0.41 C ATOM 905 CD2 LEU A 57 3.875 4.368 -3.734 1.00 0.44 C ATOM 0 H LEU A 57 7.119 6.109 -5.348 1.00 0.26 H new ATOM 0 HA LEU A 57 4.323 6.634 -5.157 1.00 0.28 H new ATOM 0 HB2 LEU A 57 6.541 6.436 -3.069 1.00 0.31 H new ATOM 0 HB3 LEU A 57 4.844 6.559 -2.651 1.00 0.31 H new ATOM 0 HG LEU A 57 5.857 4.434 -4.585 1.00 0.35 H new ATOM 0 HD11 LEU A 57 5.884 2.876 -2.654 1.00 0.41 H new ATOM 0 HD12 LEU A 57 7.064 4.190 -2.432 1.00 0.41 H new ATOM 0 HD13 LEU A 57 5.514 4.228 -1.558 1.00 0.41 H new ATOM 0 HD21 LEU A 57 3.758 3.296 -3.896 1.00 0.44 H new ATOM 0 HD22 LEU A 57 3.384 4.650 -2.802 1.00 0.44 H new ATOM 0 HD23 LEU A 57 3.420 4.912 -4.562 1.00 0.44 H new ATOM 917 N GLU A 58 6.313 9.158 -4.422 1.00 0.29 N ATOM 918 CA GLU A 58 6.317 10.633 -4.165 1.00 0.34 C ATOM 919 C GLU A 58 5.508 11.350 -5.257 1.00 0.35 C ATOM 920 O GLU A 58 4.838 12.332 -4.991 1.00 0.43 O ATOM 921 CB GLU A 58 7.761 11.151 -4.169 1.00 0.41 C ATOM 922 CG GLU A 58 8.063 11.847 -2.838 1.00 0.56 C ATOM 923 CD GLU A 58 9.571 11.815 -2.566 1.00 0.55 C ATOM 924 OE1 GLU A 58 10.255 12.716 -3.020 1.00 0.83 O ATOM 925 OE2 GLU A 58 10.015 10.889 -1.905 1.00 0.81 O ATOM 0 H GLU A 58 7.235 8.746 -4.569 1.00 0.29 H new ATOM 0 HA GLU A 58 5.865 10.832 -3.193 1.00 0.34 H new ATOM 0 HB2 GLU A 58 8.454 10.324 -4.323 1.00 0.41 H new ATOM 0 HB3 GLU A 58 7.906 11.847 -4.995 1.00 0.41 H new ATOM 0 HG2 GLU A 58 7.711 12.878 -2.868 1.00 0.56 H new ATOM 0 HG3 GLU A 58 7.527 11.351 -2.028 1.00 0.56 H new ATOM 932 N ASP A 59 5.554 10.857 -6.479 1.00 0.34 N ATOM 933 CA ASP A 59 4.777 11.495 -7.589 1.00 0.38 C ATOM 934 C ASP A 59 3.278 11.354 -7.302 1.00 0.38 C ATOM 935 O ASP A 59 2.522 12.298 -7.441 1.00 0.44 O ATOM 936 CB ASP A 59 5.104 10.805 -8.920 1.00 0.46 C ATOM 937 CG ASP A 59 6.539 11.136 -9.338 1.00 0.52 C ATOM 938 OD1 ASP A 59 6.733 12.169 -9.960 1.00 0.62 O ATOM 939 OD2 ASP A 59 7.420 10.350 -9.033 1.00 0.72 O ATOM 0 H ASP A 59 6.099 10.039 -6.751 1.00 0.34 H new ATOM 0 HA ASP A 59 5.045 12.549 -7.655 1.00 0.38 H new ATOM 0 HB2 ASP A 59 4.985 9.726 -8.820 1.00 0.46 H new ATOM 0 HB3 ASP A 59 4.406 11.133 -9.691 1.00 0.46 H new ATOM 944 N TYR A 60 2.852 10.180 -6.890 1.00 0.37 N ATOM 945 CA TYR A 60 1.407 9.960 -6.572 1.00 0.41 C ATOM 946 C TYR A 60 1.035 10.707 -5.278 1.00 0.42 C ATOM 947 O TYR A 60 -0.132 10.919 -4.997 1.00 0.50 O ATOM 948 CB TYR A 60 1.146 8.458 -6.393 1.00 0.44 C ATOM 949 CG TYR A 60 1.140 7.779 -7.744 1.00 0.37 C ATOM 950 CD1 TYR A 60 0.242 8.195 -8.735 1.00 0.35 C ATOM 951 CD2 TYR A 60 2.034 6.732 -8.006 1.00 0.44 C ATOM 952 CE1 TYR A 60 0.238 7.569 -9.986 1.00 0.39 C ATOM 953 CE2 TYR A 60 2.029 6.105 -9.258 1.00 0.47 C ATOM 954 CZ TYR A 60 1.131 6.522 -10.248 1.00 0.43 C ATOM 955 OH TYR A 60 1.131 5.903 -11.484 1.00 0.55 O ATOM 0 H TYR A 60 3.449 9.363 -6.761 1.00 0.37 H new ATOM 0 HA TYR A 60 0.797 10.341 -7.391 1.00 0.41 H new ATOM 0 HB2 TYR A 60 1.915 8.018 -5.757 1.00 0.44 H new ATOM 0 HB3 TYR A 60 0.191 8.302 -5.892 1.00 0.44 H new ATOM 0 HD1 TYR A 60 -0.449 9.000 -8.533 1.00 0.35 H new ATOM 0 HD2 TYR A 60 2.726 6.409 -7.243 1.00 0.44 H new ATOM 0 HE1 TYR A 60 -0.454 7.893 -10.750 1.00 0.39 H new ATOM 0 HE2 TYR A 60 2.719 5.299 -9.460 1.00 0.47 H new ATOM 0 HH TYR A 60 0.852 6.544 -12.171 1.00 0.55 H new ATOM 965 N GLU A 61 2.023 11.101 -4.492 1.00 0.39 N ATOM 966 CA GLU A 61 1.763 11.832 -3.209 1.00 0.44 C ATOM 967 C GLU A 61 1.220 10.848 -2.163 1.00 0.41 C ATOM 968 O GLU A 61 0.093 10.955 -1.709 1.00 0.53 O ATOM 969 CB GLU A 61 0.764 12.978 -3.444 1.00 0.57 C ATOM 970 CG GLU A 61 1.171 14.198 -2.607 1.00 0.70 C ATOM 971 CD GLU A 61 0.547 14.105 -1.208 1.00 1.49 C ATOM 972 OE1 GLU A 61 1.182 13.535 -0.333 1.00 2.09 O ATOM 973 OE2 GLU A 61 -0.552 14.605 -1.034 1.00 2.15 O ATOM 0 H GLU A 61 3.010 10.942 -4.694 1.00 0.39 H new ATOM 0 HA GLU A 61 2.695 12.263 -2.842 1.00 0.44 H new ATOM 0 HB2 GLU A 61 0.740 13.242 -4.501 1.00 0.57 H new ATOM 0 HB3 GLU A 61 -0.242 12.658 -3.173 1.00 0.57 H new ATOM 0 HG2 GLU A 61 2.257 14.249 -2.527 1.00 0.70 H new ATOM 0 HG3 GLU A 61 0.844 15.113 -3.100 1.00 0.70 H new ATOM 980 N VAL A 62 2.030 9.890 -1.774 1.00 0.36 N ATOM 981 CA VAL A 62 1.590 8.892 -0.754 1.00 0.37 C ATOM 982 C VAL A 62 1.923 9.433 0.642 1.00 0.38 C ATOM 983 O VAL A 62 3.077 9.643 0.976 1.00 0.57 O ATOM 984 CB VAL A 62 2.317 7.557 -0.988 1.00 0.41 C ATOM 985 CG1 VAL A 62 1.923 6.553 0.101 1.00 0.50 C ATOM 986 CG2 VAL A 62 1.928 6.995 -2.359 1.00 0.46 C ATOM 0 H VAL A 62 2.980 9.759 -2.122 1.00 0.36 H new ATOM 0 HA VAL A 62 0.516 8.725 -0.836 1.00 0.37 H new ATOM 0 HB VAL A 62 3.393 7.725 -0.953 1.00 0.41 H new ATOM 0 HG11 VAL A 62 2.441 5.609 -0.070 1.00 0.50 H new ATOM 0 HG12 VAL A 62 2.201 6.948 1.078 1.00 0.50 H new ATOM 0 HG13 VAL A 62 0.846 6.387 0.070 1.00 0.50 H new ATOM 0 HG21 VAL A 62 2.444 6.049 -2.524 1.00 0.46 H new ATOM 0 HG22 VAL A 62 0.851 6.832 -2.393 1.00 0.46 H new ATOM 0 HG23 VAL A 62 2.212 7.704 -3.137 1.00 0.46 H new ATOM 996 N HIS A 63 0.918 9.668 1.456 1.00 0.33 N ATOM 997 CA HIS A 63 1.168 10.204 2.833 1.00 0.41 C ATOM 998 C HIS A 63 1.263 9.050 3.839 1.00 0.36 C ATOM 999 O HIS A 63 0.868 7.930 3.558 1.00 0.38 O ATOM 1000 CB HIS A 63 0.023 11.142 3.239 1.00 0.51 C ATOM 1001 CG HIS A 63 0.591 12.397 3.845 1.00 0.86 C ATOM 1002 ND1 HIS A 63 0.054 12.975 4.984 1.00 1.88 N ATOM 1003 CD2 HIS A 63 1.644 13.198 3.479 1.00 1.16 C ATOM 1004 CE1 HIS A 63 0.782 14.074 5.261 1.00 2.11 C ATOM 1005 NE2 HIS A 63 1.762 14.255 4.374 1.00 1.58 N ATOM 0 H HIS A 63 -0.063 9.512 1.225 1.00 0.33 H new ATOM 0 HA HIS A 63 2.108 10.755 2.831 1.00 0.41 H new ATOM 0 HB2 HIS A 63 -0.585 11.389 2.368 1.00 0.51 H new ATOM 0 HB3 HIS A 63 -0.632 10.645 3.954 1.00 0.51 H new ATOM 0 HD2 HIS A 63 2.284 13.032 2.625 1.00 1.16 H new ATOM 0 HE1 HIS A 63 0.595 14.729 6.099 1.00 2.11 H new ATOM 0 HE2 HIS A 63 2.450 15.008 4.356 1.00 1.58 H new ATOM 1013 N ASP A 64 1.789 9.320 5.011 1.00 0.39 N ATOM 1014 CA ASP A 64 1.917 8.252 6.050 1.00 0.38 C ATOM 1015 C ASP A 64 0.526 7.875 6.575 1.00 0.30 C ATOM 1016 O ASP A 64 -0.312 8.730 6.806 1.00 0.36 O ATOM 1017 CB ASP A 64 2.797 8.753 7.208 1.00 0.48 C ATOM 1018 CG ASP A 64 2.148 9.971 7.881 1.00 0.70 C ATOM 1019 OD1 ASP A 64 2.255 11.058 7.333 1.00 0.96 O ATOM 1020 OD2 ASP A 64 1.561 9.796 8.936 1.00 0.95 O ATOM 0 H ASP A 64 2.136 10.237 5.292 1.00 0.39 H new ATOM 0 HA ASP A 64 2.383 7.372 5.606 1.00 0.38 H new ATOM 0 HB2 ASP A 64 2.937 7.956 7.939 1.00 0.48 H new ATOM 0 HB3 ASP A 64 3.786 9.019 6.834 1.00 0.48 H new ATOM 1025 N GLN A 65 0.279 6.596 6.754 1.00 0.29 N ATOM 1026 CA GLN A 65 -1.054 6.128 7.257 1.00 0.31 C ATOM 1027 C GLN A 65 -2.155 6.513 6.252 1.00 0.31 C ATOM 1028 O GLN A 65 -3.276 6.809 6.626 1.00 0.44 O ATOM 1029 CB GLN A 65 -1.336 6.763 8.627 1.00 0.40 C ATOM 1030 CG GLN A 65 -1.711 5.672 9.635 1.00 0.53 C ATOM 1031 CD GLN A 65 -0.529 4.713 9.825 1.00 0.74 C ATOM 1032 OE1 GLN A 65 -0.620 3.546 9.496 1.00 0.92 O ATOM 1033 NE2 GLN A 65 0.584 5.158 10.345 1.00 0.94 N ATOM 0 H GLN A 65 0.951 5.851 6.571 1.00 0.29 H new ATOM 0 HA GLN A 65 -1.043 5.043 7.364 1.00 0.31 H new ATOM 0 HB2 GLN A 65 -0.457 7.306 8.975 1.00 0.40 H new ATOM 0 HB3 GLN A 65 -2.146 7.488 8.543 1.00 0.40 H new ATOM 0 HG2 GLN A 65 -1.982 6.123 10.589 1.00 0.53 H new ATOM 0 HG3 GLN A 65 -2.584 5.123 9.283 1.00 0.53 H new ATOM 0 HE21 GLN A 65 0.662 6.137 10.622 1.00 0.94 H new ATOM 0 HE22 GLN A 65 1.375 4.527 10.474 1.00 0.94 H new ATOM 1042 N THR A 66 -1.838 6.499 4.975 1.00 0.30 N ATOM 1043 CA THR A 66 -2.853 6.854 3.935 1.00 0.32 C ATOM 1044 C THR A 66 -3.657 5.599 3.559 1.00 0.29 C ATOM 1045 O THR A 66 -3.200 4.481 3.737 1.00 0.32 O ATOM 1046 CB THR A 66 -2.143 7.425 2.696 1.00 0.37 C ATOM 1047 OG1 THR A 66 -3.099 8.031 1.837 1.00 0.45 O ATOM 1048 CG2 THR A 66 -1.411 6.311 1.939 1.00 0.36 C ATOM 0 H THR A 66 -0.917 6.256 4.611 1.00 0.30 H new ATOM 0 HA THR A 66 -3.535 7.608 4.327 1.00 0.32 H new ATOM 0 HB THR A 66 -1.415 8.169 3.020 1.00 0.37 H new ATOM 0 HG1 THR A 66 -2.678 8.768 1.347 1.00 0.45 H new ATOM 0 HG21 THR A 66 -0.914 6.731 1.065 1.00 0.36 H new ATOM 0 HG22 THR A 66 -0.669 5.853 2.593 1.00 0.36 H new ATOM 0 HG23 THR A 66 -2.129 5.556 1.620 1.00 0.36 H new ATOM 1056 N ASN A 67 -4.849 5.777 3.040 1.00 0.31 N ATOM 1057 CA ASN A 67 -5.688 4.600 2.654 1.00 0.30 C ATOM 1058 C ASN A 67 -5.552 4.342 1.150 1.00 0.29 C ATOM 1059 O ASN A 67 -5.832 5.203 0.333 1.00 0.42 O ATOM 1060 CB ASN A 67 -7.156 4.877 2.999 1.00 0.36 C ATOM 1061 CG ASN A 67 -7.825 3.581 3.467 1.00 0.70 C ATOM 1062 OD1 ASN A 67 -8.287 2.796 2.662 1.00 1.02 O ATOM 1063 ND2 ASN A 67 -7.896 3.322 4.746 1.00 1.06 N ATOM 0 H ASN A 67 -5.276 6.687 2.867 1.00 0.31 H new ATOM 0 HA ASN A 67 -5.349 3.721 3.203 1.00 0.30 H new ATOM 0 HB2 ASN A 67 -7.220 5.634 3.780 1.00 0.36 H new ATOM 0 HB3 ASN A 67 -7.677 5.273 2.127 1.00 0.36 H new ATOM 0 HD21 ASN A 67 -8.339 2.462 5.068 1.00 1.06 H new ATOM 0 HD22 ASN A 67 -7.508 3.980 5.422 1.00 1.06 H new ATOM 1070 N LEU A 68 -5.120 3.159 0.787 1.00 0.26 N ATOM 1071 CA LEU A 68 -4.955 2.813 -0.658 1.00 0.26 C ATOM 1072 C LEU A 68 -5.926 1.683 -1.028 1.00 0.25 C ATOM 1073 O LEU A 68 -6.456 1.001 -0.169 1.00 0.33 O ATOM 1074 CB LEU A 68 -3.514 2.354 -0.910 1.00 0.30 C ATOM 1075 CG LEU A 68 -2.615 3.575 -1.128 1.00 0.43 C ATOM 1076 CD1 LEU A 68 -1.268 3.350 -0.436 1.00 0.69 C ATOM 1077 CD2 LEU A 68 -2.387 3.782 -2.628 1.00 0.84 C ATOM 0 H LEU A 68 -4.873 2.412 1.436 1.00 0.26 H new ATOM 0 HA LEU A 68 -5.170 3.689 -1.270 1.00 0.26 H new ATOM 0 HB2 LEU A 68 -3.154 1.772 -0.062 1.00 0.30 H new ATOM 0 HB3 LEU A 68 -3.477 1.702 -1.783 1.00 0.30 H new ATOM 0 HG LEU A 68 -3.097 4.458 -0.708 1.00 0.43 H new ATOM 0 HD11 LEU A 68 -0.629 4.219 -0.592 1.00 0.69 H new ATOM 0 HD12 LEU A 68 -1.428 3.204 0.632 1.00 0.69 H new ATOM 0 HD13 LEU A 68 -0.787 2.466 -0.855 1.00 0.69 H new ATOM 0 HD21 LEU A 68 -1.747 4.651 -2.782 1.00 0.84 H new ATOM 0 HD22 LEU A 68 -1.907 2.898 -3.048 1.00 0.84 H new ATOM 0 HD23 LEU A 68 -3.345 3.944 -3.123 1.00 0.84 H new ATOM 1089 N GLU A 69 -6.157 1.483 -2.303 1.00 0.28 N ATOM 1090 CA GLU A 69 -7.089 0.399 -2.745 1.00 0.28 C ATOM 1091 C GLU A 69 -6.284 -0.746 -3.369 1.00 0.25 C ATOM 1092 O GLU A 69 -5.333 -0.523 -4.097 1.00 0.32 O ATOM 1093 CB GLU A 69 -8.070 0.962 -3.777 1.00 0.35 C ATOM 1094 CG GLU A 69 -9.492 0.499 -3.443 1.00 0.43 C ATOM 1095 CD GLU A 69 -9.892 -0.650 -4.376 1.00 0.42 C ATOM 1096 OE1 GLU A 69 -10.348 -0.366 -5.472 1.00 0.58 O ATOM 1097 OE2 GLU A 69 -9.737 -1.793 -3.977 1.00 0.46 O ATOM 0 H GLU A 69 -5.739 2.026 -3.059 1.00 0.28 H new ATOM 0 HA GLU A 69 -7.644 0.022 -1.886 1.00 0.28 H new ATOM 0 HB2 GLU A 69 -8.023 2.051 -3.781 1.00 0.35 H new ATOM 0 HB3 GLU A 69 -7.793 0.627 -4.777 1.00 0.35 H new ATOM 0 HG2 GLU A 69 -9.544 0.172 -2.404 1.00 0.43 H new ATOM 0 HG3 GLU A 69 -10.190 1.329 -3.552 1.00 0.43 H new ATOM 1104 N LEU A 70 -6.660 -1.972 -3.085 1.00 0.22 N ATOM 1105 CA LEU A 70 -5.923 -3.142 -3.652 1.00 0.21 C ATOM 1106 C LEU A 70 -6.824 -3.895 -4.641 1.00 0.20 C ATOM 1107 O LEU A 70 -8.007 -4.074 -4.413 1.00 0.27 O ATOM 1108 CB LEU A 70 -5.501 -4.081 -2.513 1.00 0.22 C ATOM 1109 CG LEU A 70 -4.787 -5.315 -3.084 1.00 0.28 C ATOM 1110 CD1 LEU A 70 -3.472 -4.897 -3.748 1.00 0.41 C ATOM 1111 CD2 LEU A 70 -4.493 -6.300 -1.951 1.00 0.36 C ATOM 0 H LEU A 70 -7.448 -2.210 -2.483 1.00 0.22 H new ATOM 0 HA LEU A 70 -5.035 -2.790 -4.178 1.00 0.21 H new ATOM 0 HB2 LEU A 70 -4.840 -3.555 -1.824 1.00 0.22 H new ATOM 0 HB3 LEU A 70 -6.377 -4.390 -1.942 1.00 0.22 H new ATOM 0 HG LEU A 70 -5.429 -5.789 -3.827 1.00 0.28 H new ATOM 0 HD11 LEU A 70 -2.972 -5.778 -4.150 1.00 0.41 H new ATOM 0 HD12 LEU A 70 -3.679 -4.196 -4.557 1.00 0.41 H new ATOM 0 HD13 LEU A 70 -2.828 -4.419 -3.010 1.00 0.41 H new ATOM 0 HD21 LEU A 70 -3.986 -7.177 -2.354 1.00 0.36 H new ATOM 0 HD22 LEU A 70 -3.855 -5.821 -1.209 1.00 0.36 H new ATOM 0 HD23 LEU A 70 -5.429 -6.605 -1.482 1.00 0.36 H new ATOM 1123 N TYR A 71 -6.257 -4.340 -5.735 1.00 0.21 N ATOM 1124 CA TYR A 71 -7.046 -5.091 -6.756 1.00 0.22 C ATOM 1125 C TYR A 71 -6.178 -6.215 -7.337 1.00 0.23 C ATOM 1126 O TYR A 71 -4.961 -6.167 -7.268 1.00 0.32 O ATOM 1127 CB TYR A 71 -7.479 -4.137 -7.874 1.00 0.26 C ATOM 1128 CG TYR A 71 -8.987 -4.061 -7.917 1.00 0.31 C ATOM 1129 CD1 TYR A 71 -9.714 -5.018 -8.635 1.00 0.48 C ATOM 1130 CD2 TYR A 71 -9.658 -3.037 -7.238 1.00 0.44 C ATOM 1131 CE1 TYR A 71 -11.112 -4.950 -8.674 1.00 0.58 C ATOM 1132 CE2 TYR A 71 -11.055 -2.969 -7.277 1.00 0.53 C ATOM 1133 CZ TYR A 71 -11.782 -3.926 -7.995 1.00 0.54 C ATOM 1134 OH TYR A 71 -13.161 -3.861 -8.032 1.00 0.67 O ATOM 0 H TYR A 71 -5.271 -4.213 -5.965 1.00 0.21 H new ATOM 0 HA TYR A 71 -7.934 -5.521 -6.292 1.00 0.22 H new ATOM 0 HB2 TYR A 71 -7.059 -3.146 -7.703 1.00 0.26 H new ATOM 0 HB3 TYR A 71 -7.095 -4.485 -8.833 1.00 0.26 H new ATOM 0 HD1 TYR A 71 -9.197 -5.808 -9.159 1.00 0.48 H new ATOM 0 HD2 TYR A 71 -9.097 -2.299 -6.684 1.00 0.44 H new ATOM 0 HE1 TYR A 71 -11.673 -5.688 -9.228 1.00 0.58 H new ATOM 0 HE2 TYR A 71 -11.572 -2.179 -6.753 1.00 0.53 H new ATOM 0 HH TYR A 71 -13.466 -3.091 -7.508 1.00 0.67 H new ATOM 1144 N TYR A 72 -6.791 -7.228 -7.899 1.00 0.27 N ATOM 1145 CA TYR A 72 -6.002 -8.361 -8.473 1.00 0.30 C ATOM 1146 C TYR A 72 -6.051 -8.317 -10.004 1.00 0.35 C ATOM 1147 O TYR A 72 -7.099 -8.121 -10.597 1.00 0.49 O ATOM 1148 CB TYR A 72 -6.581 -9.690 -7.974 1.00 0.39 C ATOM 1149 CG TYR A 72 -6.475 -9.755 -6.466 1.00 0.41 C ATOM 1150 CD1 TYR A 72 -5.244 -9.519 -5.838 1.00 0.52 C ATOM 1151 CD2 TYR A 72 -7.608 -10.046 -5.696 1.00 0.56 C ATOM 1152 CE1 TYR A 72 -5.147 -9.575 -4.443 1.00 0.64 C ATOM 1153 CE2 TYR A 72 -7.511 -10.101 -4.301 1.00 0.65 C ATOM 1154 CZ TYR A 72 -6.280 -9.866 -3.674 1.00 0.64 C ATOM 1155 OH TYR A 72 -6.180 -9.916 -2.296 1.00 0.79 O ATOM 0 H TYR A 72 -7.803 -7.319 -7.985 1.00 0.27 H new ATOM 0 HA TYR A 72 -4.964 -8.272 -8.152 1.00 0.30 H new ATOM 0 HB2 TYR A 72 -7.623 -9.782 -8.280 1.00 0.39 H new ATOM 0 HB3 TYR A 72 -6.042 -10.524 -8.423 1.00 0.39 H new ATOM 0 HD1 TYR A 72 -4.370 -9.294 -6.431 1.00 0.52 H new ATOM 0 HD2 TYR A 72 -8.557 -10.228 -6.179 1.00 0.56 H new ATOM 0 HE1 TYR A 72 -4.198 -9.394 -3.960 1.00 0.64 H new ATOM 0 HE2 TYR A 72 -8.385 -10.325 -3.707 1.00 0.65 H new ATOM 0 HH TYR A 72 -5.476 -9.303 -1.997 1.00 0.79 H new ATOM 1165 N LEU A 73 -4.919 -8.503 -10.643 1.00 0.38 N ATOM 1166 CA LEU A 73 -4.874 -8.480 -12.138 1.00 0.47 C ATOM 1167 C LEU A 73 -5.424 -9.803 -12.694 1.00 0.53 C ATOM 1168 O LEU A 73 -6.318 -9.745 -13.522 1.00 0.64 O ATOM 1169 CB LEU A 73 -3.423 -8.284 -12.602 1.00 0.56 C ATOM 1170 CG LEU A 73 -3.391 -7.327 -13.797 1.00 0.74 C ATOM 1171 CD1 LEU A 73 -2.422 -6.179 -13.506 1.00 1.00 C ATOM 1172 CD2 LEU A 73 -2.925 -8.083 -15.046 1.00 1.23 C ATOM 1173 OXT LEU A 73 -4.947 -10.852 -12.282 1.00 0.58 O ATOM 0 H LEU A 73 -4.021 -8.670 -10.189 1.00 0.38 H new ATOM 0 HA LEU A 73 -5.486 -7.657 -12.507 1.00 0.47 H new ATOM 0 HB2 LEU A 73 -2.821 -7.884 -11.786 1.00 0.56 H new ATOM 0 HB3 LEU A 73 -2.987 -9.243 -12.880 1.00 0.56 H new ATOM 0 HG LEU A 73 -4.390 -6.926 -13.967 1.00 0.74 H new ATOM 0 HD11 LEU A 73 -2.399 -5.498 -14.357 1.00 1.00 H new ATOM 0 HD12 LEU A 73 -2.753 -5.640 -12.618 1.00 1.00 H new ATOM 0 HD13 LEU A 73 -1.423 -6.580 -13.336 1.00 1.00 H new ATOM 0 HD21 LEU A 73 -2.902 -7.402 -15.896 1.00 1.23 H new ATOM 0 HD22 LEU A 73 -1.926 -8.485 -14.876 1.00 1.23 H new ATOM 0 HD23 LEU A 73 -3.615 -8.901 -15.255 1.00 1.23 H new TER 1185 LEU A 73