USER MOD reduce.3.24.130724 H: found=0, std=0, add=775, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 770 hydrogens (30 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 NoAdj-H: A 39 HIS HE2 : A 39 HIS NE2 : A 95 HEMFE :(H bumps) USER MOD NoAdj-H: A 63 HIS HE2 : A 63 HIS NE2 : A 95 HEMFE :(H bumps) USER MOD Set 1.1: A 89 LYS NZ :NH3+ -159:sc= 0 (180deg=0) USER MOD Set 1.2: A 91 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 21 THR OG1 : rot -140:sc= 0 USER MOD Set 2.2: A 33 THR OG1 : rot -130:sc= -0.709 USER MOD Set 3.1: A 30 TYR OH : rot -33:sc= 0.456 USER MOD Set 3.2: A 71 SER OG : rot -97:sc= 0.728 USER MOD Set 4.1: A 26 HIS : no HE2:sc= -1.04 K(o=-1.2,f=-5.9!) USER MOD Set 4.2: A 27 HIS : no HD1:sc= -0.191 K(o=-1.2,f=-2.4) USER MOD Set 5.1: A 15 HIS : no HD1:sc= -2.6 X(o=-2.5,f=-2.3) USER MOD Set 5.2: A 20 SER OG : rot -154:sc= 0.123 USER MOD Single : A 1 ASP N :NH3+ -177:sc= 0.734 (180deg=0.654) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 168:sc= 0.667 (180deg=0.554) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0.262 USER MOD Single : A 13 LYS NZ :NH3+ -166:sc= -0.0446 (180deg=-0.363) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 ASN : amide:sc= -0.813 K(o=-0.81,f=-5.8!) USER MOD Single : A 17 HIS : no HD1:sc= -1.81 X(o=-1.8,f=-2.1!) USER MOD Single : A 18 SER OG : rot -50:sc= 0.268 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ -172:sc= 0.496 (180deg=0.331) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.0146 K(o=-0.015,f=-1.4) USER MOD Single : A 55 THR OG1 : rot -100:sc= -0.838 USER MOD Single : A 57 ASN : amide:sc= -0.51 K(o=-0.51,f=-2.2!) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00122) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 HIS : no HD1:sc= -0.959 K(o=-0.96,f=-2.9) USER MOD Single : A 85 SER OG : rot -41:sc= 0.132 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 HEM CMA :methyl 150:sc= -0.954 (180deg=-0.954) USER MOD Single : A 95 HEM CMB :methyl -30:sc= -2.61 (180deg=-5.65!) USER MOD Single : A 95 HEM CMC :methyl 150:sc= -2.1 (180deg=-2.1) USER MOD Single : A 95 HEM CMD :methyl -30:sc= -0.628 (180deg=-3.05!) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 -18.051 -2.757 9.587 1.00 8.44 N ATOM 2 CA ASP A 1 -17.601 -4.157 9.420 1.00 8.05 C ATOM 3 C ASP A 1 -18.608 -4.807 8.487 1.00 7.32 C ATOM 4 O ASP A 1 -19.546 -4.112 8.093 1.00 7.54 O ATOM 5 CB ASP A 1 -16.172 -4.292 8.866 1.00 8.70 C ATOM 6 CG ASP A 1 -15.225 -3.226 9.405 1.00 9.65 C ATOM 7 OD1 ASP A 1 -15.554 -2.700 10.490 1.00 10.06 O ATOM 8 OD2 ASP A 1 -14.246 -2.906 8.702 1.00 10.31 O ATOM 0 H1 ASP A 1 -17.369 -2.242 10.179 1.00 8.44 H new ATOM 0 H2 ASP A 1 -18.115 -2.300 8.655 1.00 8.44 H new ATOM 0 H3 ASP A 1 -18.985 -2.745 10.044 1.00 8.44 H new ATOM 0 HA ASP A 1 -17.558 -4.644 10.394 1.00 8.05 H new ATOM 0 HB2 ASP A 1 -15.782 -5.278 9.117 1.00 8.70 H new ATOM 0 HB3 ASP A 1 -16.202 -4.228 7.778 1.00 8.70 H new ATOM 15 N LYS A 2 -18.457 -6.090 8.129 1.00 7.11 N ATOM 16 CA LYS A 2 -19.293 -6.762 7.128 1.00 6.81 C ATOM 17 C LYS A 2 -18.907 -6.275 5.729 1.00 5.75 C ATOM 18 O LYS A 2 -18.365 -7.047 4.947 1.00 5.91 O ATOM 19 CB LYS A 2 -20.801 -6.592 7.449 1.00 7.67 C ATOM 20 CG LYS A 2 -21.526 -7.920 7.684 1.00 8.81 C ATOM 21 CD LYS A 2 -22.712 -7.734 8.645 1.00 9.97 C ATOM 22 CE LYS A 2 -23.901 -7.013 7.992 1.00 10.50 C ATOM 23 NZ LYS A 2 -24.171 -5.683 8.583 1.00 11.04 N ATOM 0 H LYS A 2 -17.742 -6.696 8.532 1.00 7.11 H new ATOM 0 HA LYS A 2 -19.111 -7.836 7.158 1.00 6.81 H new ATOM 0 HB2 LYS A 2 -20.908 -5.966 8.335 1.00 7.67 H new ATOM 0 HB3 LYS A 2 -21.283 -6.064 6.626 1.00 7.67 H new ATOM 0 HG2 LYS A 2 -21.882 -8.318 6.734 1.00 8.81 H new ATOM 0 HG3 LYS A 2 -20.830 -8.651 8.096 1.00 8.81 H new ATOM 0 HD2 LYS A 2 -23.038 -8.710 9.005 1.00 9.97 H new ATOM 0 HD3 LYS A 2 -22.383 -7.167 9.515 1.00 9.97 H new ATOM 0 HE2 LYS A 2 -23.707 -6.897 6.926 1.00 10.50 H new ATOM 0 HE3 LYS A 2 -24.792 -7.634 8.088 1.00 10.50 H new ATOM 0 HZ1 LYS A 2 -24.983 -5.247 8.101 1.00 11.04 H new ATOM 0 HZ2 LYS A 2 -24.386 -5.790 9.595 1.00 11.04 H new ATOM 0 HZ3 LYS A 2 -23.334 -5.076 8.469 1.00 11.04 H new ATOM 37 N ASP A 3 -19.169 -5.008 5.421 1.00 5.20 N ATOM 38 CA ASP A 3 -18.738 -4.383 4.181 1.00 4.45 C ATOM 39 C ASP A 3 -17.265 -4.007 4.263 1.00 3.59 C ATOM 40 O ASP A 3 -16.710 -3.895 5.355 1.00 4.06 O ATOM 41 CB ASP A 3 -19.584 -3.131 3.915 1.00 4.96 C ATOM 42 CG ASP A 3 -20.410 -3.348 2.659 1.00 5.71 C ATOM 43 OD1 ASP A 3 -19.765 -3.441 1.593 1.00 5.90 O ATOM 44 OD2 ASP A 3 -21.649 -3.458 2.797 1.00 6.67 O ATOM 0 H ASP A 3 -19.692 -4.383 6.034 1.00 5.20 H new ATOM 0 HA ASP A 3 -18.872 -5.090 3.362 1.00 4.45 H new ATOM 0 HB2 ASP A 3 -20.237 -2.931 4.765 1.00 4.96 H new ATOM 0 HB3 ASP A 3 -18.940 -2.260 3.796 1.00 4.96 H new ATOM 49 N VAL A 4 -16.643 -3.749 3.112 1.00 2.57 N ATOM 50 CA VAL A 4 -15.247 -3.370 3.018 1.00 1.94 C ATOM 51 C VAL A 4 -15.186 -2.141 2.111 1.00 1.52 C ATOM 52 O VAL A 4 -15.946 -1.194 2.308 1.00 2.09 O ATOM 53 CB VAL A 4 -14.396 -4.565 2.540 1.00 1.45 C ATOM 54 CG1 VAL A 4 -12.912 -4.289 2.821 1.00 1.87 C ATOM 55 CG2 VAL A 4 -14.780 -5.884 3.219 1.00 1.92 C ATOM 0 H VAL A 4 -17.110 -3.801 2.207 1.00 2.57 H new ATOM 0 HA VAL A 4 -14.819 -3.103 3.984 1.00 1.94 H new ATOM 0 HB VAL A 4 -14.584 -4.672 1.472 1.00 1.45 H new ATOM 0 HG11 VAL A 4 -12.314 -5.135 2.482 1.00 1.87 H new ATOM 0 HG12 VAL A 4 -12.602 -3.389 2.289 1.00 1.87 H new ATOM 0 HG13 VAL A 4 -12.765 -4.146 3.892 1.00 1.87 H new ATOM 0 HG21 VAL A 4 -14.146 -6.686 2.841 1.00 1.92 H new ATOM 0 HG22 VAL A 4 -14.644 -5.792 4.297 1.00 1.92 H new ATOM 0 HG23 VAL A 4 -15.823 -6.114 3.003 1.00 1.92 H new ATOM 65 N LYS A 5 -14.267 -2.127 1.148 1.00 1.07 N ATOM 66 CA LYS A 5 -14.117 -1.057 0.172 1.00 0.71 C ATOM 67 C LYS A 5 -14.030 -1.630 -1.228 1.00 0.85 C ATOM 68 O LYS A 5 -14.842 -1.254 -2.057 1.00 1.93 O ATOM 69 CB LYS A 5 -12.916 -0.170 0.495 1.00 0.95 C ATOM 70 CG LYS A 5 -13.345 1.187 1.072 1.00 1.49 C ATOM 71 CD LYS A 5 -13.756 1.066 2.543 1.00 2.65 C ATOM 72 CE LYS A 5 -15.160 1.646 2.723 1.00 3.12 C ATOM 73 NZ LYS A 5 -15.833 1.099 3.918 1.00 4.64 N ATOM 0 H LYS A 5 -13.590 -2.880 1.024 1.00 1.07 H new ATOM 0 HA LYS A 5 -15.001 -0.421 0.222 1.00 0.71 H new ATOM 0 HB2 LYS A 5 -12.270 -0.680 1.209 1.00 0.95 H new ATOM 0 HB3 LYS A 5 -12.329 -0.011 -0.409 1.00 0.95 H new ATOM 0 HG2 LYS A 5 -12.525 1.899 0.980 1.00 1.49 H new ATOM 0 HG3 LYS A 5 -14.178 1.584 0.492 1.00 1.49 H new ATOM 0 HD2 LYS A 5 -13.739 0.021 2.853 1.00 2.65 H new ATOM 0 HD3 LYS A 5 -13.046 1.598 3.176 1.00 2.65 H new ATOM 0 HE2 LYS A 5 -15.097 2.731 2.807 1.00 3.12 H new ATOM 0 HE3 LYS A 5 -15.758 1.429 1.838 1.00 3.12 H new ATOM 0 HZ1 LYS A 5 -16.687 1.657 4.121 1.00 4.64 H new ATOM 0 HZ2 LYS A 5 -16.099 0.109 3.744 1.00 4.64 H new ATOM 0 HZ3 LYS A 5 -15.187 1.146 4.732 1.00 4.64 H new ATOM 87 N TYR A 6 -13.106 -2.576 -1.433 1.00 0.89 N ATOM 88 CA TYR A 6 -12.897 -3.290 -2.682 1.00 0.81 C ATOM 89 C TYR A 6 -12.697 -2.307 -3.845 1.00 0.71 C ATOM 90 O TYR A 6 -13.650 -1.798 -4.417 1.00 0.82 O ATOM 91 CB TYR A 6 -14.065 -4.273 -2.871 1.00 0.98 C ATOM 92 CG TYR A 6 -13.759 -5.756 -2.740 1.00 1.12 C ATOM 93 CD1 TYR A 6 -12.835 -6.235 -1.791 1.00 2.30 C ATOM 94 CD2 TYR A 6 -14.460 -6.677 -3.540 1.00 2.01 C ATOM 95 CE1 TYR A 6 -12.565 -7.613 -1.694 1.00 2.68 C ATOM 96 CE2 TYR A 6 -14.204 -8.056 -3.446 1.00 2.67 C ATOM 97 CZ TYR A 6 -13.235 -8.528 -2.534 1.00 2.49 C ATOM 98 OH TYR A 6 -12.971 -9.862 -2.435 1.00 3.27 O ATOM 0 H TYR A 6 -12.462 -2.871 -0.699 1.00 0.89 H new ATOM 0 HA TYR A 6 -11.978 -3.875 -2.657 1.00 0.81 H new ATOM 0 HB2 TYR A 6 -14.837 -4.023 -2.143 1.00 0.98 H new ATOM 0 HB3 TYR A 6 -14.492 -4.103 -3.860 1.00 0.98 H new ATOM 0 HD1 TYR A 6 -12.331 -5.541 -1.134 1.00 2.30 H new ATOM 0 HD2 TYR A 6 -15.205 -6.320 -4.236 1.00 2.01 H new ATOM 0 HE1 TYR A 6 -11.843 -7.971 -0.975 1.00 2.68 H new ATOM 0 HE2 TYR A 6 -14.746 -8.752 -4.069 1.00 2.67 H new ATOM 0 HH TYR A 6 -13.518 -10.353 -3.084 1.00 3.27 H new ATOM 108 N TYR A 7 -11.450 -1.989 -4.200 1.00 0.55 N ATOM 109 CA TYR A 7 -11.170 -1.046 -5.244 1.00 0.47 C ATOM 110 C TYR A 7 -10.653 -1.760 -6.482 1.00 0.47 C ATOM 111 O TYR A 7 -10.152 -2.885 -6.433 1.00 0.47 O ATOM 112 CB TYR A 7 -10.167 -0.045 -4.688 1.00 0.37 C ATOM 113 CG TYR A 7 -10.842 1.078 -3.930 1.00 0.36 C ATOM 114 CD1 TYR A 7 -11.745 1.924 -4.597 1.00 1.91 C ATOM 115 CD2 TYR A 7 -10.586 1.274 -2.565 1.00 1.82 C ATOM 116 CE1 TYR A 7 -12.312 3.025 -3.937 1.00 2.08 C ATOM 117 CE2 TYR A 7 -11.170 2.358 -1.884 1.00 1.74 C ATOM 118 CZ TYR A 7 -12.011 3.258 -2.579 1.00 0.65 C ATOM 119 OH TYR A 7 -12.492 4.375 -1.966 1.00 0.86 O ATOM 0 H TYR A 7 -10.619 -2.386 -3.762 1.00 0.55 H new ATOM 0 HA TYR A 7 -12.072 -0.519 -5.556 1.00 0.47 H new ATOM 0 HB2 TYR A 7 -9.470 -0.560 -4.027 1.00 0.37 H new ATOM 0 HB3 TYR A 7 -9.580 0.372 -5.507 1.00 0.37 H new ATOM 0 HD1 TYR A 7 -12.005 1.725 -5.626 1.00 1.91 H new ATOM 0 HD2 TYR A 7 -9.939 0.591 -2.035 1.00 1.82 H new ATOM 0 HE1 TYR A 7 -12.976 3.691 -4.467 1.00 2.08 H new ATOM 0 HE2 TYR A 7 -10.976 2.503 -0.831 1.00 1.74 H new ATOM 0 HH TYR A 7 -12.197 4.388 -1.032 1.00 0.86 H new ATOM 129 N THR A 8 -10.827 -1.091 -7.618 1.00 0.51 N ATOM 130 CA THR A 8 -10.405 -1.621 -8.897 1.00 0.55 C ATOM 131 C THR A 8 -8.958 -1.205 -9.114 1.00 0.55 C ATOM 132 O THR A 8 -8.536 -0.168 -8.598 1.00 0.58 O ATOM 133 CB THR A 8 -11.302 -1.066 -10.014 1.00 0.63 C ATOM 134 OG1 THR A 8 -10.950 0.269 -10.313 1.00 0.78 O ATOM 135 CG2 THR A 8 -12.785 -1.101 -9.634 1.00 1.07 C ATOM 0 H THR A 8 -11.263 -0.171 -7.671 1.00 0.51 H new ATOM 0 HA THR A 8 -10.487 -2.708 -8.912 1.00 0.55 H new ATOM 0 HB THR A 8 -11.148 -1.705 -10.884 1.00 0.63 H new ATOM 0 HG1 THR A 8 -11.529 0.608 -11.027 1.00 0.78 H new ATOM 0 HG21 THR A 8 -13.380 -0.699 -10.454 1.00 1.07 H new ATOM 0 HG22 THR A 8 -13.086 -2.130 -9.437 1.00 1.07 H new ATOM 0 HG23 THR A 8 -12.946 -0.499 -8.740 1.00 1.07 H new ATOM 143 N LEU A 9 -8.214 -1.965 -9.918 1.00 0.55 N ATOM 144 CA LEU A 9 -6.816 -1.660 -10.196 1.00 0.55 C ATOM 145 C LEU A 9 -6.683 -0.239 -10.720 1.00 0.53 C ATOM 146 O LEU A 9 -5.807 0.502 -10.289 1.00 0.51 O ATOM 147 CB LEU A 9 -6.185 -2.644 -11.189 1.00 0.64 C ATOM 148 CG LEU A 9 -6.290 -4.109 -10.757 1.00 0.71 C ATOM 149 CD1 LEU A 9 -6.047 -4.255 -9.252 1.00 0.89 C ATOM 150 CD2 LEU A 9 -7.653 -4.685 -11.166 1.00 0.95 C ATOM 0 H LEU A 9 -8.561 -2.800 -10.389 1.00 0.55 H new ATOM 0 HA LEU A 9 -6.275 -1.758 -9.255 1.00 0.55 H new ATOM 0 HB2 LEU A 9 -6.667 -2.526 -12.160 1.00 0.64 H new ATOM 0 HB3 LEU A 9 -5.134 -2.388 -11.322 1.00 0.64 H new ATOM 0 HG LEU A 9 -5.514 -4.680 -11.267 1.00 0.71 H new ATOM 0 HD11 LEU A 9 -6.127 -5.305 -8.971 1.00 0.89 H new ATOM 0 HD12 LEU A 9 -5.050 -3.889 -9.007 1.00 0.89 H new ATOM 0 HD13 LEU A 9 -6.791 -3.675 -8.705 1.00 0.89 H new ATOM 0 HD21 LEU A 9 -7.716 -5.727 -10.854 1.00 0.95 H new ATOM 0 HD22 LEU A 9 -8.448 -4.114 -10.687 1.00 0.95 H new ATOM 0 HD23 LEU A 9 -7.764 -4.623 -12.249 1.00 0.95 H new ATOM 162 N GLU A 10 -7.566 0.136 -11.644 1.00 0.57 N ATOM 163 CA GLU A 10 -7.596 1.463 -12.236 1.00 0.58 C ATOM 164 C GLU A 10 -7.704 2.535 -11.167 1.00 0.51 C ATOM 165 O GLU A 10 -6.909 3.473 -11.167 1.00 0.56 O ATOM 166 CB GLU A 10 -8.762 1.549 -13.227 1.00 0.71 C ATOM 167 CG GLU A 10 -8.213 1.452 -14.652 1.00 1.16 C ATOM 168 CD GLU A 10 -9.280 1.021 -15.657 1.00 1.76 C ATOM 169 OE1 GLU A 10 -10.456 1.392 -15.455 1.00 2.47 O ATOM 170 OE2 GLU A 10 -8.884 0.322 -16.615 1.00 2.66 O ATOM 0 H GLU A 10 -8.289 -0.486 -12.005 1.00 0.57 H new ATOM 0 HA GLU A 10 -6.662 1.636 -12.771 1.00 0.58 H new ATOM 0 HB2 GLU A 10 -9.473 0.744 -13.042 1.00 0.71 H new ATOM 0 HB3 GLU A 10 -9.301 2.487 -13.094 1.00 0.71 H new ATOM 0 HG2 GLU A 10 -7.807 2.419 -14.949 1.00 1.16 H new ATOM 0 HG3 GLU A 10 -7.388 0.740 -14.673 1.00 1.16 H new ATOM 177 N GLU A 11 -8.655 2.376 -10.246 1.00 0.52 N ATOM 178 CA GLU A 11 -8.845 3.346 -9.181 1.00 0.52 C ATOM 179 C GLU A 11 -7.547 3.492 -8.399 1.00 0.48 C ATOM 180 O GLU A 11 -7.052 4.592 -8.205 1.00 0.52 O ATOM 181 CB GLU A 11 -10.005 2.924 -8.270 1.00 0.57 C ATOM 182 CG GLU A 11 -10.191 3.866 -7.075 1.00 1.15 C ATOM 183 CD GLU A 11 -10.593 5.290 -7.492 1.00 1.23 C ATOM 184 OE1 GLU A 11 -9.794 5.956 -8.186 1.00 1.84 O ATOM 185 OE2 GLU A 11 -11.739 5.673 -7.170 1.00 2.30 O ATOM 0 H GLU A 11 -9.300 1.586 -10.220 1.00 0.52 H new ATOM 0 HA GLU A 11 -9.105 4.314 -9.609 1.00 0.52 H new ATOM 0 HB2 GLU A 11 -10.926 2.895 -8.852 1.00 0.57 H new ATOM 0 HB3 GLU A 11 -9.826 1.912 -7.906 1.00 0.57 H new ATOM 0 HG2 GLU A 11 -10.954 3.458 -6.413 1.00 1.15 H new ATOM 0 HG3 GLU A 11 -9.263 3.908 -6.504 1.00 1.15 H new ATOM 192 N ILE A 12 -6.921 2.393 -7.996 1.00 0.47 N ATOM 193 CA ILE A 12 -5.686 2.491 -7.234 1.00 0.50 C ATOM 194 C ILE A 12 -4.594 3.218 -8.019 1.00 0.50 C ATOM 195 O ILE A 12 -3.846 4.016 -7.459 1.00 0.56 O ATOM 196 CB ILE A 12 -5.236 1.081 -6.879 1.00 0.53 C ATOM 197 CG1 ILE A 12 -6.206 0.439 -5.901 1.00 0.49 C ATOM 198 CG2 ILE A 12 -3.843 1.086 -6.277 1.00 0.62 C ATOM 199 CD1 ILE A 12 -6.428 -1.032 -6.265 1.00 0.74 C ATOM 0 H ILE A 12 -7.241 1.442 -8.180 1.00 0.47 H new ATOM 0 HA ILE A 12 -5.867 3.073 -6.330 1.00 0.50 H new ATOM 0 HB ILE A 12 -5.218 0.501 -7.802 1.00 0.53 H new ATOM 0 HG12 ILE A 12 -5.815 0.515 -4.887 1.00 0.49 H new ATOM 0 HG13 ILE A 12 -7.156 0.973 -5.917 1.00 0.49 H new ATOM 0 HG21 ILE A 12 -3.548 0.065 -6.033 1.00 0.62 H new ATOM 0 HG22 ILE A 12 -3.138 1.506 -6.995 1.00 0.62 H new ATOM 0 HG23 ILE A 12 -3.841 1.691 -5.370 1.00 0.62 H new ATOM 0 HD11 ILE A 12 -7.125 -1.481 -5.557 1.00 0.74 H new ATOM 0 HD12 ILE A 12 -6.840 -1.099 -7.272 1.00 0.74 H new ATOM 0 HD13 ILE A 12 -5.477 -1.564 -6.225 1.00 0.74 H new ATOM 211 N LYS A 13 -4.492 2.976 -9.326 1.00 0.44 N ATOM 212 CA LYS A 13 -3.540 3.708 -10.154 1.00 0.51 C ATOM 213 C LYS A 13 -3.868 5.205 -10.169 1.00 0.64 C ATOM 214 O LYS A 13 -2.979 6.031 -10.359 1.00 1.21 O ATOM 215 CB LYS A 13 -3.511 3.094 -11.559 1.00 0.72 C ATOM 216 CG LYS A 13 -2.658 1.813 -11.549 1.00 0.89 C ATOM 217 CD LYS A 13 -3.266 0.636 -12.323 1.00 0.93 C ATOM 218 CE LYS A 13 -3.131 0.716 -13.844 1.00 1.73 C ATOM 219 NZ LYS A 13 -3.957 1.790 -14.433 1.00 3.50 N ATOM 0 H LYS A 13 -5.051 2.286 -9.828 1.00 0.44 H new ATOM 0 HA LYS A 13 -2.539 3.620 -9.731 1.00 0.51 H new ATOM 0 HB2 LYS A 13 -4.525 2.865 -11.887 1.00 0.72 H new ATOM 0 HB3 LYS A 13 -3.100 3.810 -12.271 1.00 0.72 H new ATOM 0 HG2 LYS A 13 -1.679 2.041 -11.970 1.00 0.89 H new ATOM 0 HG3 LYS A 13 -2.497 1.507 -10.515 1.00 0.89 H new ATOM 0 HD2 LYS A 13 -2.794 -0.285 -11.981 1.00 0.93 H new ATOM 0 HD3 LYS A 13 -4.324 0.565 -12.072 1.00 0.93 H new ATOM 0 HE2 LYS A 13 -2.086 0.883 -14.104 1.00 1.73 H new ATOM 0 HE3 LYS A 13 -3.419 -0.240 -14.281 1.00 1.73 H new ATOM 0 HZ1 LYS A 13 -4.019 1.656 -15.462 1.00 3.50 H new ATOM 0 HZ2 LYS A 13 -4.912 1.759 -14.022 1.00 3.50 H new ATOM 0 HZ3 LYS A 13 -3.523 2.713 -14.230 1.00 3.50 H new ATOM 233 N LYS A 14 -5.119 5.570 -9.895 1.00 0.56 N ATOM 234 CA LYS A 14 -5.575 6.943 -9.718 1.00 0.65 C ATOM 235 C LYS A 14 -5.450 7.410 -8.255 1.00 0.88 C ATOM 236 O LYS A 14 -6.151 8.329 -7.844 1.00 1.52 O ATOM 237 CB LYS A 14 -7.020 7.018 -10.225 1.00 0.70 C ATOM 238 CG LYS A 14 -7.495 8.445 -10.511 1.00 1.49 C ATOM 239 CD LYS A 14 -8.981 8.549 -10.168 1.00 2.41 C ATOM 240 CE LYS A 14 -9.570 9.759 -10.893 1.00 3.36 C ATOM 241 NZ LYS A 14 -10.383 10.600 -9.993 1.00 4.64 N ATOM 0 H LYS A 14 -5.870 4.889 -9.786 1.00 0.56 H new ATOM 0 HA LYS A 14 -4.944 7.622 -10.291 1.00 0.65 H new ATOM 0 HB2 LYS A 14 -7.108 6.425 -11.135 1.00 0.70 H new ATOM 0 HB3 LYS A 14 -7.680 6.566 -9.485 1.00 0.70 H new ATOM 0 HG2 LYS A 14 -6.921 9.159 -9.921 1.00 1.49 H new ATOM 0 HG3 LYS A 14 -7.332 8.694 -11.560 1.00 1.49 H new ATOM 0 HD2 LYS A 14 -9.502 7.639 -10.467 1.00 2.41 H new ATOM 0 HD3 LYS A 14 -9.113 8.653 -9.091 1.00 2.41 H new ATOM 0 HE2 LYS A 14 -8.763 10.356 -11.317 1.00 3.36 H new ATOM 0 HE3 LYS A 14 -10.185 9.419 -11.726 1.00 3.36 H new ATOM 0 HZ1 LYS A 14 -10.764 11.409 -10.524 1.00 4.64 H new ATOM 0 HZ2 LYS A 14 -11.169 10.038 -9.608 1.00 4.64 H new ATOM 0 HZ3 LYS A 14 -9.790 10.946 -9.212 1.00 4.64 H new ATOM 255 N HIS A 15 -4.536 6.835 -7.467 1.00 0.57 N ATOM 256 CA HIS A 15 -4.248 7.263 -6.097 1.00 0.84 C ATOM 257 C HIS A 15 -2.736 7.405 -5.891 1.00 1.08 C ATOM 258 O HIS A 15 -2.225 7.204 -4.789 1.00 2.55 O ATOM 259 CB HIS A 15 -4.890 6.298 -5.096 1.00 1.08 C ATOM 260 CG HIS A 15 -6.323 6.643 -4.792 1.00 0.98 C ATOM 261 ND1 HIS A 15 -6.746 7.494 -3.793 1.00 1.48 N ATOM 262 CD2 HIS A 15 -7.434 6.133 -5.407 1.00 1.10 C ATOM 263 CE1 HIS A 15 -8.090 7.503 -3.826 1.00 1.54 C ATOM 264 NE2 HIS A 15 -8.555 6.697 -4.792 1.00 1.28 N ATOM 0 H HIS A 15 -3.966 6.045 -7.770 1.00 0.57 H new ATOM 0 HA HIS A 15 -4.687 8.245 -5.922 1.00 0.84 H new ATOM 0 HB2 HIS A 15 -4.841 5.284 -5.493 1.00 1.08 H new ATOM 0 HB3 HIS A 15 -4.315 6.306 -4.170 1.00 1.08 H new ATOM 0 HD2 HIS A 15 -7.443 5.423 -6.221 1.00 1.10 H new ATOM 0 HE1 HIS A 15 -8.713 8.083 -3.162 1.00 1.54 H new ATOM 0 HE2 HIS A 15 -9.532 6.529 -5.030 1.00 1.28 H new ATOM 272 N ASN A 16 -2.017 7.758 -6.962 1.00 0.97 N ATOM 273 CA ASN A 16 -0.574 7.972 -6.943 1.00 1.01 C ATOM 274 C ASN A 16 -0.268 9.436 -7.255 1.00 1.32 C ATOM 275 O ASN A 16 0.193 9.758 -8.348 1.00 2.07 O ATOM 276 CB ASN A 16 0.125 7.071 -7.972 1.00 0.94 C ATOM 277 CG ASN A 16 -0.348 5.632 -7.934 1.00 1.90 C ATOM 278 OD1 ASN A 16 -0.722 5.124 -6.887 1.00 3.70 O ATOM 279 ND2 ASN A 16 -0.340 4.969 -9.083 1.00 2.28 N ATOM 0 H ASN A 16 -2.434 7.905 -7.881 1.00 0.97 H new ATOM 0 HA ASN A 16 -0.201 7.720 -5.950 1.00 1.01 H new ATOM 0 HB2 ASN A 16 -0.043 7.474 -8.970 1.00 0.94 H new ATOM 0 HB3 ASN A 16 1.200 7.097 -7.795 1.00 0.94 H new ATOM 0 HD21 ASN A 16 -0.654 3.999 -9.114 1.00 2.28 H new ATOM 0 HD22 ASN A 16 -0.020 5.429 -9.935 1.00 2.28 H new ATOM 286 N HIS A 17 -0.554 10.353 -6.336 1.00 0.94 N ATOM 287 CA HIS A 17 -0.338 11.774 -6.582 1.00 1.26 C ATOM 288 C HIS A 17 0.171 12.433 -5.308 1.00 1.38 C ATOM 289 O HIS A 17 0.357 11.779 -4.289 1.00 1.87 O ATOM 290 CB HIS A 17 -1.620 12.418 -7.138 1.00 1.40 C ATOM 291 CG HIS A 17 -2.886 12.062 -6.400 1.00 1.89 C ATOM 292 ND1 HIS A 17 -3.604 12.878 -5.554 1.00 3.69 N ATOM 293 CD2 HIS A 17 -3.582 10.892 -6.538 1.00 1.84 C ATOM 294 CE1 HIS A 17 -4.707 12.200 -5.186 1.00 4.73 C ATOM 295 NE2 HIS A 17 -4.729 10.985 -5.754 1.00 3.65 N ATOM 0 H HIS A 17 -0.936 10.137 -5.415 1.00 0.94 H new ATOM 0 HA HIS A 17 0.427 11.919 -7.344 1.00 1.26 H new ATOM 0 HB2 HIS A 17 -1.501 13.501 -7.122 1.00 1.40 H new ATOM 0 HB3 HIS A 17 -1.732 12.125 -8.182 1.00 1.40 H new ATOM 0 HD2 HIS A 17 -3.293 10.047 -7.146 1.00 1.84 H new ATOM 0 HE1 HIS A 17 -5.470 12.582 -4.524 1.00 4.73 H new ATOM 0 HE2 HIS A 17 -5.446 10.269 -5.635 1.00 3.65 H new ATOM 303 N SER A 18 0.381 13.747 -5.320 1.00 2.02 N ATOM 304 CA SER A 18 0.849 14.459 -4.137 1.00 2.17 C ATOM 305 C SER A 18 -0.270 14.659 -3.098 1.00 2.08 C ATOM 306 O SER A 18 -0.252 15.658 -2.379 1.00 2.88 O ATOM 307 CB SER A 18 1.476 15.788 -4.572 1.00 2.50 C ATOM 308 OG SER A 18 2.253 16.325 -3.525 1.00 2.68 O ATOM 0 H SER A 18 0.234 14.339 -6.137 1.00 2.02 H new ATOM 0 HA SER A 18 1.607 13.855 -3.638 1.00 2.17 H new ATOM 0 HB2 SER A 18 2.098 15.634 -5.454 1.00 2.50 H new ATOM 0 HB3 SER A 18 0.694 16.493 -4.853 1.00 2.50 H new ATOM 0 HG SER A 18 1.730 16.326 -2.696 1.00 2.68 H new ATOM 314 N LYS A 19 -1.282 13.780 -3.049 1.00 1.58 N ATOM 315 CA LYS A 19 -2.411 13.903 -2.131 1.00 1.54 C ATOM 316 C LYS A 19 -3.123 12.554 -1.924 1.00 1.44 C ATOM 317 O LYS A 19 -4.337 12.512 -1.737 1.00 2.15 O ATOM 318 CB LYS A 19 -3.352 14.997 -2.661 1.00 1.81 C ATOM 319 CG LYS A 19 -4.118 15.688 -1.528 1.00 2.31 C ATOM 320 CD LYS A 19 -4.374 17.164 -1.855 1.00 3.13 C ATOM 321 CE LYS A 19 -3.119 17.989 -1.524 1.00 3.92 C ATOM 322 NZ LYS A 19 -3.442 19.225 -0.775 1.00 4.90 N ATOM 0 H LYS A 19 -1.335 12.959 -3.652 1.00 1.58 H new ATOM 0 HA LYS A 19 -2.056 14.196 -1.143 1.00 1.54 H new ATOM 0 HB2 LYS A 19 -2.773 15.738 -3.213 1.00 1.81 H new ATOM 0 HB3 LYS A 19 -4.060 14.558 -3.363 1.00 1.81 H new ATOM 0 HG2 LYS A 19 -5.068 15.179 -1.363 1.00 2.31 H new ATOM 0 HG3 LYS A 19 -3.550 15.611 -0.601 1.00 2.31 H new ATOM 0 HD2 LYS A 19 -4.627 17.275 -2.909 1.00 3.13 H new ATOM 0 HD3 LYS A 19 -5.225 17.532 -1.282 1.00 3.13 H new ATOM 0 HE2 LYS A 19 -2.431 17.380 -0.937 1.00 3.92 H new ATOM 0 HE3 LYS A 19 -2.604 18.251 -2.449 1.00 3.92 H new ATOM 0 HZ1 LYS A 19 -2.566 19.748 -0.574 1.00 4.90 H new ATOM 0 HZ2 LYS A 19 -4.078 19.820 -1.344 1.00 4.90 H new ATOM 0 HZ3 LYS A 19 -3.909 18.976 0.120 1.00 4.90 H new ATOM 336 N SER A 20 -2.375 11.456 -2.035 1.00 0.92 N ATOM 337 CA SER A 20 -2.795 10.067 -1.858 1.00 0.89 C ATOM 338 C SER A 20 -1.639 9.219 -2.377 1.00 1.09 C ATOM 339 O SER A 20 -1.142 9.472 -3.472 1.00 2.13 O ATOM 340 CB SER A 20 -4.062 9.712 -2.648 1.00 0.84 C ATOM 341 OG SER A 20 -5.238 9.688 -1.863 1.00 1.44 O ATOM 0 H SER A 20 -1.384 11.520 -2.269 1.00 0.92 H new ATOM 0 HA SER A 20 -3.031 9.892 -0.808 1.00 0.89 H new ATOM 0 HB2 SER A 20 -4.190 10.434 -3.455 1.00 0.84 H new ATOM 0 HB3 SER A 20 -3.927 8.735 -3.113 1.00 0.84 H new ATOM 0 HG SER A 20 -5.896 9.091 -2.277 1.00 1.44 H new ATOM 347 N THR A 21 -1.244 8.219 -1.596 1.00 0.38 N ATOM 348 CA THR A 21 -0.231 7.241 -1.922 1.00 0.35 C ATOM 349 C THR A 21 -0.814 5.914 -1.481 1.00 0.31 C ATOM 350 O THR A 21 -0.670 5.502 -0.326 1.00 0.38 O ATOM 351 CB THR A 21 1.073 7.553 -1.186 1.00 0.37 C ATOM 352 OG1 THR A 21 1.583 8.802 -1.607 1.00 0.56 O ATOM 353 CG2 THR A 21 2.140 6.485 -1.443 1.00 0.44 C ATOM 0 H THR A 21 -1.648 8.068 -0.672 1.00 0.38 H new ATOM 0 HA THR A 21 0.017 7.236 -2.983 1.00 0.35 H new ATOM 0 HB THR A 21 0.842 7.573 -0.121 1.00 0.37 H new ATOM 0 HG1 THR A 21 2.558 8.745 -1.693 1.00 0.56 H new ATOM 0 HG21 THR A 21 3.051 6.743 -0.903 1.00 0.44 H new ATOM 0 HG22 THR A 21 1.776 5.517 -1.099 1.00 0.44 H new ATOM 0 HG23 THR A 21 2.354 6.434 -2.511 1.00 0.44 H new ATOM 361 N TRP A 22 -1.535 5.274 -2.390 1.00 0.32 N ATOM 362 CA TRP A 22 -1.975 3.913 -2.169 1.00 0.31 C ATOM 363 C TRP A 22 -0.916 2.965 -2.682 1.00 0.31 C ATOM 364 O TRP A 22 0.072 3.401 -3.263 1.00 0.33 O ATOM 365 CB TRP A 22 -3.309 3.706 -2.868 1.00 0.36 C ATOM 366 CG TRP A 22 -4.453 4.355 -2.163 1.00 0.35 C ATOM 367 CD1 TRP A 22 -4.378 5.163 -1.081 1.00 0.37 C ATOM 368 CD2 TRP A 22 -5.864 4.237 -2.473 1.00 0.39 C ATOM 369 NE1 TRP A 22 -5.643 5.560 -0.709 1.00 0.41 N ATOM 370 CE2 TRP A 22 -6.598 5.029 -1.544 1.00 0.43 C ATOM 371 CE3 TRP A 22 -6.588 3.538 -3.454 1.00 0.45 C ATOM 372 CZ2 TRP A 22 -7.990 5.147 -1.604 1.00 0.53 C ATOM 373 CZ3 TRP A 22 -7.986 3.650 -3.532 1.00 0.54 C ATOM 374 CH2 TRP A 22 -8.681 4.467 -2.621 1.00 0.58 C ATOM 0 H TRP A 22 -1.824 5.676 -3.282 1.00 0.32 H new ATOM 0 HA TRP A 22 -2.117 3.716 -1.106 1.00 0.31 H new ATOM 0 HB2 TRP A 22 -3.245 4.101 -3.882 1.00 0.36 H new ATOM 0 HB3 TRP A 22 -3.504 2.637 -2.954 1.00 0.36 H new ATOM 0 HD1 TRP A 22 -3.464 5.453 -0.584 1.00 0.37 H new ATOM 0 HE1 TRP A 22 -5.846 6.169 0.084 1.00 0.41 H new ATOM 0 HE3 TRP A 22 -6.063 2.907 -4.156 1.00 0.45 H new ATOM 0 HZ2 TRP A 22 -8.523 5.749 -0.883 1.00 0.53 H new ATOM 0 HZ3 TRP A 22 -8.529 3.108 -4.293 1.00 0.54 H new ATOM 0 HH2 TRP A 22 -9.753 4.572 -2.704 1.00 0.58 H new ATOM 385 N LEU A 23 -1.122 1.671 -2.465 1.00 0.33 N ATOM 386 CA LEU A 23 -0.273 0.609 -2.968 1.00 0.35 C ATOM 387 C LEU A 23 -0.959 -0.721 -2.713 1.00 0.39 C ATOM 388 O LEU A 23 -1.878 -0.815 -1.896 1.00 0.48 O ATOM 389 CB LEU A 23 1.140 0.699 -2.363 1.00 0.33 C ATOM 390 CG LEU A 23 1.189 0.925 -0.838 1.00 0.37 C ATOM 391 CD1 LEU A 23 1.073 -0.375 -0.051 1.00 0.51 C ATOM 392 CD2 LEU A 23 2.512 1.617 -0.465 1.00 0.48 C ATOM 0 H LEU A 23 -1.910 1.326 -1.917 1.00 0.33 H new ATOM 0 HA LEU A 23 -0.131 0.710 -4.044 1.00 0.35 H new ATOM 0 HB2 LEU A 23 1.676 -0.221 -2.595 1.00 0.33 H new ATOM 0 HB3 LEU A 23 1.676 1.512 -2.852 1.00 0.33 H new ATOM 0 HG LEU A 23 0.335 1.550 -0.577 1.00 0.37 H new ATOM 0 HD11 LEU A 23 1.113 -0.159 1.017 1.00 0.51 H new ATOM 0 HD12 LEU A 23 0.126 -0.860 -0.288 1.00 0.51 H new ATOM 0 HD13 LEU A 23 1.897 -1.037 -0.318 1.00 0.51 H new ATOM 0 HD21 LEU A 23 2.548 1.777 0.613 1.00 0.48 H new ATOM 0 HD22 LEU A 23 3.349 0.988 -0.766 1.00 0.48 H new ATOM 0 HD23 LEU A 23 2.577 2.577 -0.977 1.00 0.48 H new ATOM 404 N ILE A 24 -0.506 -1.750 -3.419 1.00 0.41 N ATOM 405 CA ILE A 24 -1.041 -3.082 -3.346 1.00 0.44 C ATOM 406 C ILE A 24 0.004 -3.908 -2.613 1.00 0.45 C ATOM 407 O ILE A 24 1.088 -4.169 -3.137 1.00 0.49 O ATOM 408 CB ILE A 24 -1.312 -3.625 -4.760 1.00 0.52 C ATOM 409 CG1 ILE A 24 -2.392 -2.797 -5.476 1.00 0.56 C ATOM 410 CG2 ILE A 24 -1.755 -5.093 -4.702 1.00 0.60 C ATOM 411 CD1 ILE A 24 -1.822 -1.605 -6.244 1.00 2.04 C ATOM 0 H ILE A 24 0.269 -1.666 -4.076 1.00 0.41 H new ATOM 0 HA ILE A 24 -1.995 -3.115 -2.820 1.00 0.44 H new ATOM 0 HB ILE A 24 -0.381 -3.550 -5.321 1.00 0.52 H new ATOM 0 HG12 ILE A 24 -2.936 -3.441 -6.167 1.00 0.56 H new ATOM 0 HG13 ILE A 24 -3.112 -2.437 -4.741 1.00 0.56 H new ATOM 0 HG21 ILE A 24 -1.941 -5.457 -5.712 1.00 0.60 H new ATOM 0 HG22 ILE A 24 -0.970 -5.692 -4.240 1.00 0.60 H new ATOM 0 HG23 ILE A 24 -2.668 -5.174 -4.113 1.00 0.60 H new ATOM 0 HD11 ILE A 24 -2.634 -1.061 -6.727 1.00 2.04 H new ATOM 0 HD12 ILE A 24 -1.302 -0.942 -5.553 1.00 2.04 H new ATOM 0 HD13 ILE A 24 -1.123 -1.961 -7.001 1.00 2.04 H new ATOM 423 N LEU A 25 -0.308 -4.314 -1.388 1.00 0.53 N ATOM 424 CA LEU A 25 0.536 -5.228 -0.646 1.00 0.57 C ATOM 425 C LEU A 25 -0.228 -6.523 -0.507 1.00 0.75 C ATOM 426 O LEU A 25 -1.070 -6.612 0.371 1.00 1.19 O ATOM 427 CB LEU A 25 0.873 -4.657 0.730 1.00 0.60 C ATOM 428 CG LEU A 25 1.946 -3.589 0.619 1.00 0.53 C ATOM 429 CD1 LEU A 25 2.031 -2.802 1.920 1.00 0.73 C ATOM 430 CD2 LEU A 25 3.295 -4.231 0.368 1.00 0.61 C ATOM 0 H LEU A 25 -1.147 -4.019 -0.889 1.00 0.53 H new ATOM 0 HA LEU A 25 1.479 -5.388 -1.168 1.00 0.57 H new ATOM 0 HB2 LEU A 25 -0.023 -4.233 1.183 1.00 0.60 H new ATOM 0 HB3 LEU A 25 1.215 -5.456 1.387 1.00 0.60 H new ATOM 0 HG LEU A 25 1.686 -2.927 -0.207 1.00 0.53 H new ATOM 0 HD11 LEU A 25 2.803 -2.037 1.833 1.00 0.73 H new ATOM 0 HD12 LEU A 25 1.071 -2.327 2.121 1.00 0.73 H new ATOM 0 HD13 LEU A 25 2.280 -3.478 2.738 1.00 0.73 H new ATOM 0 HD21 LEU A 25 4.058 -3.456 0.290 1.00 0.61 H new ATOM 0 HD22 LEU A 25 3.539 -4.899 1.194 1.00 0.61 H new ATOM 0 HD23 LEU A 25 3.260 -4.800 -0.561 1.00 0.61 H new ATOM 442 N HIS A 26 0.062 -7.497 -1.368 1.00 0.71 N ATOM 443 CA HIS A 26 -0.497 -8.838 -1.351 1.00 0.90 C ATOM 444 C HIS A 26 -2.015 -8.798 -1.575 1.00 0.80 C ATOM 445 O HIS A 26 -2.795 -8.805 -0.640 1.00 1.20 O ATOM 446 CB HIS A 26 0.003 -9.630 -0.112 1.00 1.28 C ATOM 447 CG HIS A 26 -0.926 -9.725 1.082 1.00 1.91 C ATOM 448 ND1 HIS A 26 -1.949 -10.638 1.209 1.00 3.65 N ATOM 449 CD2 HIS A 26 -1.016 -8.861 2.144 1.00 2.58 C ATOM 450 CE1 HIS A 26 -2.662 -10.300 2.295 1.00 5.36 C ATOM 451 NE2 HIS A 26 -2.130 -9.232 2.912 1.00 4.78 N ATOM 0 H HIS A 26 0.725 -7.361 -2.131 1.00 0.71 H new ATOM 0 HA HIS A 26 -0.124 -9.417 -2.196 1.00 0.90 H new ATOM 0 HB2 HIS A 26 0.240 -10.644 -0.435 1.00 1.28 H new ATOM 0 HB3 HIS A 26 0.935 -9.176 0.223 1.00 1.28 H new ATOM 0 HD1 HIS A 26 -2.132 -11.428 0.590 1.00 3.65 H new ATOM 0 HD2 HIS A 26 -0.347 -8.039 2.352 1.00 2.58 H new ATOM 0 HE1 HIS A 26 -3.548 -10.819 2.629 1.00 5.36 H new ATOM 459 N HIS A 27 -2.470 -8.810 -2.833 1.00 0.79 N ATOM 460 CA HIS A 27 -3.892 -8.715 -3.194 1.00 0.71 C ATOM 461 C HIS A 27 -4.772 -7.901 -2.215 1.00 0.61 C ATOM 462 O HIS A 27 -5.910 -8.270 -1.921 1.00 0.66 O ATOM 463 CB HIS A 27 -4.425 -10.149 -3.366 1.00 0.79 C ATOM 464 CG HIS A 27 -4.122 -11.100 -2.232 1.00 1.35 C ATOM 465 ND1 HIS A 27 -4.959 -11.401 -1.181 1.00 2.51 N ATOM 466 CD2 HIS A 27 -2.981 -11.839 -2.078 1.00 2.33 C ATOM 467 CE1 HIS A 27 -4.334 -12.317 -0.419 1.00 3.04 C ATOM 468 NE2 HIS A 27 -3.116 -12.593 -0.909 1.00 2.84 N ATOM 0 H HIS A 27 -1.853 -8.887 -3.642 1.00 0.79 H new ATOM 0 HA HIS A 27 -3.955 -8.146 -4.122 1.00 0.71 H new ATOM 0 HB2 HIS A 27 -5.506 -10.102 -3.498 1.00 0.79 H new ATOM 0 HB3 HIS A 27 -4.010 -10.564 -4.285 1.00 0.79 H new ATOM 0 HD2 HIS A 27 -2.129 -11.840 -2.741 1.00 2.33 H new ATOM 0 HE1 HIS A 27 -4.756 -12.769 0.467 1.00 3.04 H new ATOM 0 HE2 HIS A 27 -2.425 -13.227 -0.508 1.00 2.84 H new ATOM 476 N LYS A 28 -4.264 -6.762 -1.734 1.00 0.59 N ATOM 477 CA LYS A 28 -4.886 -5.900 -0.731 1.00 0.52 C ATOM 478 C LYS A 28 -4.597 -4.463 -1.136 1.00 0.41 C ATOM 479 O LYS A 28 -3.673 -4.238 -1.912 1.00 0.55 O ATOM 480 CB LYS A 28 -4.242 -6.152 0.641 1.00 0.82 C ATOM 481 CG LYS A 28 -5.117 -6.831 1.686 1.00 1.02 C ATOM 482 CD LYS A 28 -5.533 -8.244 1.282 1.00 1.36 C ATOM 483 CE LYS A 28 -5.926 -9.065 2.512 1.00 1.53 C ATOM 484 NZ LYS A 28 -7.299 -8.772 2.965 1.00 2.26 N ATOM 0 H LYS A 28 -3.364 -6.401 -2.051 1.00 0.59 H new ATOM 0 HA LYS A 28 -5.956 -6.098 -0.669 1.00 0.52 H new ATOM 0 HB2 LYS A 28 -3.351 -6.762 0.493 1.00 0.82 H new ATOM 0 HB3 LYS A 28 -3.910 -5.195 1.043 1.00 0.82 H new ATOM 0 HG2 LYS A 28 -4.578 -6.872 2.633 1.00 1.02 H new ATOM 0 HG3 LYS A 28 -6.010 -6.228 1.853 1.00 1.02 H new ATOM 0 HD2 LYS A 28 -6.371 -8.197 0.587 1.00 1.36 H new ATOM 0 HD3 LYS A 28 -4.712 -8.734 0.758 1.00 1.36 H new ATOM 0 HE2 LYS A 28 -5.841 -10.127 2.280 1.00 1.53 H new ATOM 0 HE3 LYS A 28 -5.227 -8.859 3.322 1.00 1.53 H new ATOM 0 HZ1 LYS A 28 -7.473 -9.246 3.874 1.00 2.26 H new ATOM 0 HZ2 LYS A 28 -7.414 -7.745 3.083 1.00 2.26 H new ATOM 0 HZ3 LYS A 28 -7.979 -9.118 2.258 1.00 2.26 H new ATOM 498 N VAL A 29 -5.316 -3.495 -0.575 1.00 0.38 N ATOM 499 CA VAL A 29 -5.158 -2.095 -0.902 1.00 0.33 C ATOM 500 C VAL A 29 -4.932 -1.341 0.390 1.00 0.32 C ATOM 501 O VAL A 29 -5.755 -1.388 1.306 1.00 0.38 O ATOM 502 CB VAL A 29 -6.427 -1.644 -1.622 1.00 0.35 C ATOM 503 CG1 VAL A 29 -6.771 -0.186 -1.445 1.00 0.76 C ATOM 504 CG2 VAL A 29 -6.379 -1.995 -3.086 1.00 0.57 C ATOM 0 H VAL A 29 -6.033 -3.671 0.129 1.00 0.38 H new ATOM 0 HA VAL A 29 -4.307 -1.907 -1.557 1.00 0.33 H new ATOM 0 HB VAL A 29 -7.230 -2.199 -1.137 1.00 0.35 H new ATOM 0 HG11 VAL A 29 -7.686 0.041 -1.992 1.00 0.76 H new ATOM 0 HG12 VAL A 29 -6.918 0.027 -0.386 1.00 0.76 H new ATOM 0 HG13 VAL A 29 -5.957 0.429 -1.829 1.00 0.76 H new ATOM 0 HG21 VAL A 29 -7.296 -1.661 -3.571 1.00 0.57 H new ATOM 0 HG22 VAL A 29 -5.524 -1.504 -3.550 1.00 0.57 H new ATOM 0 HG23 VAL A 29 -6.282 -3.075 -3.198 1.00 0.57 H new ATOM 514 N TYR A 30 -3.810 -0.637 0.455 1.00 0.34 N ATOM 515 CA TYR A 30 -3.424 0.135 1.595 1.00 0.38 C ATOM 516 C TYR A 30 -3.233 1.590 1.186 1.00 0.36 C ATOM 517 O TYR A 30 -3.025 1.890 0.010 1.00 0.44 O ATOM 518 CB TYR A 30 -2.139 -0.489 2.107 1.00 0.48 C ATOM 519 CG TYR A 30 -2.289 -1.834 2.785 1.00 0.49 C ATOM 520 CD1 TYR A 30 -2.635 -1.904 4.143 1.00 1.92 C ATOM 521 CD2 TYR A 30 -2.057 -3.020 2.068 1.00 1.58 C ATOM 522 CE1 TYR A 30 -2.742 -3.152 4.777 1.00 1.94 C ATOM 523 CE2 TYR A 30 -2.096 -4.269 2.720 1.00 1.61 C ATOM 524 CZ TYR A 30 -2.436 -4.339 4.086 1.00 0.64 C ATOM 525 OH TYR A 30 -2.491 -5.532 4.747 1.00 0.76 O ATOM 0 H TYR A 30 -3.137 -0.596 -0.310 1.00 0.34 H new ATOM 0 HA TYR A 30 -4.181 0.131 2.380 1.00 0.38 H new ATOM 0 HB2 TYR A 30 -1.451 -0.600 1.269 1.00 0.48 H new ATOM 0 HB3 TYR A 30 -1.676 0.203 2.811 1.00 0.48 H new ATOM 0 HD1 TYR A 30 -2.819 -0.998 4.701 1.00 1.92 H new ATOM 0 HD2 TYR A 30 -1.847 -2.974 1.010 1.00 1.58 H new ATOM 0 HE1 TYR A 30 -3.063 -3.202 5.807 1.00 1.94 H new ATOM 0 HE2 TYR A 30 -1.866 -5.172 2.173 1.00 1.61 H new ATOM 0 HH TYR A 30 -2.230 -5.400 5.682 1.00 0.76 H new ATOM 535 N ASP A 31 -3.263 2.473 2.181 1.00 0.34 N ATOM 536 CA ASP A 31 -3.118 3.909 2.075 1.00 0.33 C ATOM 537 C ASP A 31 -2.136 4.332 3.142 1.00 0.36 C ATOM 538 O ASP A 31 -2.412 4.216 4.337 1.00 0.49 O ATOM 539 CB ASP A 31 -4.456 4.599 2.307 1.00 0.39 C ATOM 540 CG ASP A 31 -4.376 6.114 2.146 1.00 0.48 C ATOM 541 OD1 ASP A 31 -3.250 6.657 2.139 1.00 1.60 O ATOM 542 OD2 ASP A 31 -5.453 6.709 1.929 1.00 1.86 O ATOM 0 H ASP A 31 -3.399 2.175 3.147 1.00 0.34 H new ATOM 0 HA ASP A 31 -2.767 4.186 1.081 1.00 0.33 H new ATOM 0 HB2 ASP A 31 -5.191 4.202 1.606 1.00 0.39 H new ATOM 0 HB3 ASP A 31 -4.812 4.363 3.310 1.00 0.39 H new ATOM 547 N LEU A 32 -0.954 4.744 2.701 1.00 0.36 N ATOM 548 CA LEU A 32 0.094 5.162 3.602 1.00 0.42 C ATOM 549 C LEU A 32 0.421 6.625 3.311 1.00 0.31 C ATOM 550 O LEU A 32 1.470 7.113 3.702 1.00 0.41 O ATOM 551 CB LEU A 32 1.296 4.197 3.573 1.00 0.61 C ATOM 552 CG LEU A 32 1.163 2.900 2.767 1.00 0.40 C ATOM 553 CD1 LEU A 32 2.515 2.188 2.770 1.00 0.44 C ATOM 554 CD2 LEU A 32 0.140 1.938 3.364 1.00 0.53 C ATOM 0 H LEU A 32 -0.703 4.795 1.714 1.00 0.36 H new ATOM 0 HA LEU A 32 -0.239 5.109 4.638 1.00 0.42 H new ATOM 0 HB2 LEU A 32 2.154 4.745 3.183 1.00 0.61 H new ATOM 0 HB3 LEU A 32 1.531 3.927 4.602 1.00 0.61 H new ATOM 0 HG LEU A 32 0.834 3.173 1.764 1.00 0.40 H new ATOM 0 HD11 LEU A 32 2.440 1.262 2.201 1.00 0.44 H new ATOM 0 HD12 LEU A 32 3.267 2.833 2.316 1.00 0.44 H new ATOM 0 HD13 LEU A 32 2.804 1.961 3.796 1.00 0.44 H new ATOM 0 HD21 LEU A 32 0.088 1.037 2.753 1.00 0.53 H new ATOM 0 HD22 LEU A 32 0.439 1.672 4.378 1.00 0.53 H new ATOM 0 HD23 LEU A 32 -0.839 2.417 3.389 1.00 0.53 H new ATOM 566 N THR A 33 -0.490 7.370 2.679 1.00 0.28 N ATOM 567 CA THR A 33 -0.289 8.781 2.362 1.00 0.32 C ATOM 568 C THR A 33 0.039 9.630 3.585 1.00 0.43 C ATOM 569 O THR A 33 0.613 10.704 3.439 1.00 0.81 O ATOM 570 CB THR A 33 -1.477 9.328 1.574 1.00 0.53 C ATOM 571 OG1 THR A 33 -0.967 10.047 0.474 1.00 1.22 O ATOM 572 CG2 THR A 33 -2.354 10.282 2.352 1.00 0.64 C ATOM 0 H THR A 33 -1.392 7.006 2.372 1.00 0.28 H new ATOM 0 HA THR A 33 0.595 8.846 1.727 1.00 0.32 H new ATOM 0 HB THR A 33 -2.090 8.470 1.299 1.00 0.53 H new ATOM 0 HG1 THR A 33 -1.391 10.930 0.435 1.00 1.22 H new ATOM 0 HG21 THR A 33 -3.173 10.622 1.718 1.00 0.64 H new ATOM 0 HG22 THR A 33 -2.759 9.773 3.226 1.00 0.64 H new ATOM 0 HG23 THR A 33 -1.763 11.140 2.673 1.00 0.64 H new ATOM 580 N LYS A 34 -0.325 9.156 4.776 1.00 0.61 N ATOM 581 CA LYS A 34 -0.107 9.861 6.029 1.00 0.64 C ATOM 582 C LYS A 34 0.876 9.104 6.918 1.00 0.46 C ATOM 583 O LYS A 34 1.249 9.593 7.977 1.00 0.50 O ATOM 584 CB LYS A 34 -1.478 10.044 6.691 1.00 0.74 C ATOM 585 CG LYS A 34 -1.715 11.477 7.171 1.00 1.53 C ATOM 586 CD LYS A 34 -1.362 11.662 8.656 1.00 1.74 C ATOM 587 CE LYS A 34 -2.402 12.577 9.315 1.00 2.36 C ATOM 588 NZ LYS A 34 -2.586 12.262 10.749 1.00 2.42 N ATOM 0 H LYS A 34 -0.788 8.255 4.894 1.00 0.61 H new ATOM 0 HA LYS A 34 0.346 10.837 5.856 1.00 0.64 H new ATOM 0 HB2 LYS A 34 -2.259 9.769 5.982 1.00 0.74 H new ATOM 0 HB3 LYS A 34 -1.562 9.363 7.538 1.00 0.74 H new ATOM 0 HG2 LYS A 34 -1.118 12.162 6.570 1.00 1.53 H new ATOM 0 HG3 LYS A 34 -2.760 11.742 7.013 1.00 1.53 H new ATOM 0 HD2 LYS A 34 -1.340 10.695 9.159 1.00 1.74 H new ATOM 0 HD3 LYS A 34 -0.366 12.095 8.754 1.00 1.74 H new ATOM 0 HE2 LYS A 34 -2.090 13.616 9.209 1.00 2.36 H new ATOM 0 HE3 LYS A 34 -3.355 12.476 8.796 1.00 2.36 H new ATOM 0 HZ1 LYS A 34 -3.297 12.903 11.157 1.00 2.42 H new ATOM 0 HZ2 LYS A 34 -2.908 11.278 10.850 1.00 2.42 H new ATOM 0 HZ3 LYS A 34 -1.683 12.383 11.250 1.00 2.42 H new ATOM 602 N PHE A 35 1.291 7.915 6.483 1.00 0.39 N ATOM 603 CA PHE A 35 2.310 7.112 7.125 1.00 0.42 C ATOM 604 C PHE A 35 3.657 7.316 6.458 1.00 0.50 C ATOM 605 O PHE A 35 4.652 6.934 7.035 1.00 0.57 O ATOM 606 CB PHE A 35 1.932 5.645 6.978 1.00 0.41 C ATOM 607 CG PHE A 35 2.891 4.649 7.617 1.00 0.43 C ATOM 608 CD1 PHE A 35 3.277 4.783 8.964 1.00 1.43 C ATOM 609 CD2 PHE A 35 3.430 3.597 6.853 1.00 1.41 C ATOM 610 CE1 PHE A 35 4.208 3.894 9.531 1.00 1.41 C ATOM 611 CE2 PHE A 35 4.353 2.708 7.420 1.00 1.44 C ATOM 612 CZ PHE A 35 4.766 2.866 8.753 1.00 0.49 C ATOM 0 H PHE A 35 0.909 7.477 5.645 1.00 0.39 H new ATOM 0 HA PHE A 35 2.379 7.406 8.172 1.00 0.42 H new ATOM 0 HB2 PHE A 35 0.943 5.498 7.412 1.00 0.41 H new ATOM 0 HB3 PHE A 35 1.852 5.414 5.916 1.00 0.41 H new ATOM 0 HD1 PHE A 35 2.855 5.574 9.566 1.00 1.43 H new ATOM 0 HD2 PHE A 35 3.130 3.474 5.823 1.00 1.41 H new ATOM 0 HE1 PHE A 35 4.494 4.002 10.567 1.00 1.41 H new ATOM 0 HE2 PHE A 35 4.749 1.896 6.828 1.00 1.44 H new ATOM 0 HZ PHE A 35 5.506 2.203 9.176 1.00 0.49 H new ATOM 622 N LEU A 36 3.717 7.899 5.263 1.00 0.59 N ATOM 623 CA LEU A 36 4.958 8.096 4.517 1.00 0.77 C ATOM 624 C LEU A 36 6.031 8.715 5.401 1.00 0.82 C ATOM 625 O LEU A 36 7.054 8.095 5.663 1.00 0.91 O ATOM 626 CB LEU A 36 4.677 8.907 3.249 1.00 0.92 C ATOM 627 CG LEU A 36 4.683 8.052 1.972 1.00 1.42 C ATOM 628 CD1 LEU A 36 4.303 6.607 2.198 1.00 3.77 C ATOM 629 CD2 LEU A 36 3.735 8.659 0.981 1.00 1.25 C ATOM 0 H LEU A 36 2.892 8.253 4.778 1.00 0.59 H new ATOM 0 HA LEU A 36 5.353 7.131 4.200 1.00 0.77 H new ATOM 0 HB2 LEU A 36 3.708 9.397 3.346 1.00 0.92 H new ATOM 0 HB3 LEU A 36 5.425 9.694 3.155 1.00 0.92 H new ATOM 0 HG LEU A 36 5.708 8.046 1.603 1.00 1.42 H new ATOM 0 HD11 LEU A 36 4.331 6.071 1.249 1.00 3.77 H new ATOM 0 HD12 LEU A 36 5.007 6.150 2.894 1.00 3.77 H new ATOM 0 HD13 LEU A 36 3.297 6.556 2.614 1.00 3.77 H new ATOM 0 HD21 LEU A 36 3.730 8.061 0.069 1.00 1.25 H new ATOM 0 HD22 LEU A 36 2.731 8.683 1.405 1.00 1.25 H new ATOM 0 HD23 LEU A 36 4.054 9.675 0.747 1.00 1.25 H new ATOM 641 N GLU A 37 5.775 9.918 5.902 1.00 0.84 N ATOM 642 CA GLU A 37 6.683 10.591 6.819 1.00 0.91 C ATOM 643 C GLU A 37 6.745 9.896 8.186 1.00 0.99 C ATOM 644 O GLU A 37 7.707 10.064 8.930 1.00 1.65 O ATOM 645 CB GLU A 37 6.197 12.038 6.955 1.00 0.99 C ATOM 646 CG GLU A 37 4.844 12.117 7.684 1.00 2.78 C ATOM 647 CD GLU A 37 4.011 13.312 7.224 1.00 3.24 C ATOM 648 OE1 GLU A 37 3.556 13.262 6.059 1.00 3.73 O ATOM 649 OE2 GLU A 37 3.813 14.239 8.040 1.00 3.99 O ATOM 0 H GLU A 37 4.934 10.452 5.684 1.00 0.84 H new ATOM 0 HA GLU A 37 7.699 10.558 6.425 1.00 0.91 H new ATOM 0 HB2 GLU A 37 6.939 12.621 7.500 1.00 0.99 H new ATOM 0 HB3 GLU A 37 6.104 12.485 5.965 1.00 0.99 H new ATOM 0 HG2 GLU A 37 4.285 11.198 7.510 1.00 2.78 H new ATOM 0 HG3 GLU A 37 5.015 12.187 8.758 1.00 2.78 H new ATOM 656 N GLU A 38 5.729 9.101 8.523 1.00 0.59 N ATOM 657 CA GLU A 38 5.658 8.338 9.763 1.00 0.63 C ATOM 658 C GLU A 38 6.249 6.923 9.607 1.00 0.58 C ATOM 659 O GLU A 38 6.183 6.136 10.550 1.00 0.76 O ATOM 660 CB GLU A 38 4.197 8.302 10.268 1.00 0.80 C ATOM 661 CG GLU A 38 3.983 9.143 11.537 1.00 1.17 C ATOM 662 CD GLU A 38 2.878 8.559 12.426 1.00 1.34 C ATOM 663 OE1 GLU A 38 3.206 7.647 13.218 1.00 2.58 O ATOM 664 OE2 GLU A 38 1.724 9.034 12.318 1.00 1.71 O ATOM 0 H GLU A 38 4.914 8.969 7.924 1.00 0.59 H new ATOM 0 HA GLU A 38 6.272 8.838 10.512 1.00 0.63 H new ATOM 0 HB2 GLU A 38 3.537 8.666 9.481 1.00 0.80 H new ATOM 0 HB3 GLU A 38 3.913 7.269 10.470 1.00 0.80 H new ATOM 0 HG2 GLU A 38 4.914 9.194 12.101 1.00 1.17 H new ATOM 0 HG3 GLU A 38 3.723 10.164 11.257 1.00 1.17 H new ATOM 671 N HIS A 39 6.822 6.576 8.443 1.00 0.48 N ATOM 672 CA HIS A 39 7.325 5.241 8.154 1.00 0.48 C ATOM 673 C HIS A 39 8.785 5.218 8.567 1.00 0.58 C ATOM 674 O HIS A 39 9.577 5.999 8.041 1.00 0.90 O ATOM 675 CB HIS A 39 7.141 4.856 6.680 1.00 0.56 C ATOM 676 CG HIS A 39 7.734 3.523 6.241 1.00 0.43 C ATOM 677 ND1 HIS A 39 8.508 3.372 5.125 1.00 0.57 N ATOM 678 CD2 HIS A 39 7.527 2.258 6.743 1.00 0.45 C ATOM 679 CE1 HIS A 39 8.794 2.085 4.959 1.00 0.59 C ATOM 680 NE2 HIS A 39 8.187 1.354 5.898 1.00 0.42 N ATOM 0 H HIS A 39 6.946 7.231 7.671 1.00 0.48 H new ATOM 0 HA HIS A 39 6.758 4.497 8.714 1.00 0.48 H new ATOM 0 HB2 HIS A 39 6.073 4.841 6.463 1.00 0.56 H new ATOM 0 HB3 HIS A 39 7.580 5.642 6.066 1.00 0.56 H new ATOM 0 HD1 HIS A 39 8.818 4.129 4.515 1.00 0.57 H new ATOM 0 HD2 HIS A 39 6.959 2.007 7.627 1.00 0.45 H new ATOM 0 HE1 HIS A 39 9.426 1.688 4.178 1.00 0.59 H new ATOM 688 N PRO A 40 9.146 4.358 9.524 1.00 0.62 N ATOM 689 CA PRO A 40 10.504 4.239 10.000 1.00 0.67 C ATOM 690 C PRO A 40 11.362 3.593 8.910 1.00 1.20 C ATOM 691 O PRO A 40 11.490 2.378 8.827 1.00 2.15 O ATOM 692 CB PRO A 40 10.406 3.433 11.297 1.00 0.84 C ATOM 693 CG PRO A 40 9.099 2.644 11.180 1.00 1.26 C ATOM 694 CD PRO A 40 8.258 3.415 10.177 1.00 1.06 C ATOM 0 HA PRO A 40 10.991 5.190 10.213 1.00 0.67 H new ATOM 0 HB2 PRO A 40 11.260 2.766 11.412 1.00 0.84 H new ATOM 0 HB3 PRO A 40 10.394 4.088 12.168 1.00 0.84 H new ATOM 0 HG2 PRO A 40 9.283 1.625 10.839 1.00 1.26 H new ATOM 0 HG3 PRO A 40 8.595 2.572 12.144 1.00 1.26 H new ATOM 0 HD2 PRO A 40 7.808 2.740 9.449 1.00 1.06 H new ATOM 0 HD3 PRO A 40 7.441 3.935 10.676 1.00 1.06 H new ATOM 702 N GLY A 41 11.934 4.417 8.035 1.00 0.79 N ATOM 703 CA GLY A 41 12.823 3.933 7.000 1.00 1.27 C ATOM 704 C GLY A 41 12.868 4.907 5.843 1.00 0.78 C ATOM 705 O GLY A 41 13.885 5.554 5.615 1.00 0.89 O ATOM 0 H GLY A 41 11.792 5.427 8.029 1.00 0.79 H new ATOM 0 HA2 GLY A 41 13.825 3.796 7.407 1.00 1.27 H new ATOM 0 HA3 GLY A 41 12.486 2.958 6.649 1.00 1.27 H new ATOM 709 N GLY A 42 11.770 5.008 5.102 1.00 0.59 N ATOM 710 CA GLY A 42 11.694 5.940 4.002 1.00 0.65 C ATOM 711 C GLY A 42 10.254 6.339 3.758 1.00 0.53 C ATOM 712 O GLY A 42 9.339 5.860 4.398 1.00 1.02 O ATOM 0 H GLY A 42 10.926 4.454 5.249 1.00 0.59 H new ATOM 0 HA2 GLY A 42 12.292 6.824 4.222 1.00 0.65 H new ATOM 0 HA3 GLY A 42 12.112 5.488 3.102 1.00 0.65 H new ATOM 716 N GLU A 43 10.058 7.197 2.784 1.00 0.55 N ATOM 717 CA GLU A 43 8.747 7.639 2.332 1.00 0.44 C ATOM 718 C GLU A 43 8.651 7.573 0.814 1.00 0.38 C ATOM 719 O GLU A 43 7.655 7.110 0.263 1.00 0.38 O ATOM 720 CB GLU A 43 8.511 9.054 2.854 1.00 0.58 C ATOM 721 CG GLU A 43 9.560 10.070 2.393 1.00 1.04 C ATOM 722 CD GLU A 43 9.505 11.310 3.279 1.00 2.07 C ATOM 723 OE1 GLU A 43 8.723 12.221 2.935 1.00 2.72 O ATOM 724 OE2 GLU A 43 10.244 11.317 4.288 1.00 3.47 O ATOM 0 H GLU A 43 10.826 7.623 2.265 1.00 0.55 H new ATOM 0 HA GLU A 43 7.971 6.981 2.723 1.00 0.44 H new ATOM 0 HB2 GLU A 43 7.526 9.391 2.529 1.00 0.58 H new ATOM 0 HB3 GLU A 43 8.497 9.031 3.944 1.00 0.58 H new ATOM 0 HG2 GLU A 43 10.554 9.625 2.437 1.00 1.04 H new ATOM 0 HG3 GLU A 43 9.380 10.346 1.354 1.00 1.04 H new ATOM 731 N GLU A 44 9.710 7.982 0.115 1.00 0.44 N ATOM 732 CA GLU A 44 9.642 8.030 -1.344 1.00 0.51 C ATOM 733 C GLU A 44 9.592 6.625 -1.910 1.00 0.48 C ATOM 734 O GLU A 44 8.921 6.376 -2.908 1.00 0.47 O ATOM 735 CB GLU A 44 10.838 8.768 -1.941 1.00 0.72 C ATOM 736 CG GLU A 44 12.073 7.870 -2.107 1.00 1.64 C ATOM 737 CD GLU A 44 13.255 8.651 -2.665 1.00 2.37 C ATOM 738 OE1 GLU A 44 13.139 9.104 -3.824 1.00 2.97 O ATOM 739 OE2 GLU A 44 14.250 8.780 -1.920 1.00 3.44 O ATOM 0 H GLU A 44 10.599 8.276 0.520 1.00 0.44 H new ATOM 0 HA GLU A 44 8.735 8.573 -1.610 1.00 0.51 H new ATOM 0 HB2 GLU A 44 10.559 9.176 -2.912 1.00 0.72 H new ATOM 0 HB3 GLU A 44 11.093 9.613 -1.302 1.00 0.72 H new ATOM 0 HG2 GLU A 44 12.343 7.437 -1.144 1.00 1.64 H new ATOM 0 HG3 GLU A 44 11.835 7.041 -2.773 1.00 1.64 H new ATOM 746 N VAL A 45 10.268 5.690 -1.238 1.00 0.54 N ATOM 747 CA VAL A 45 10.192 4.292 -1.625 1.00 0.61 C ATOM 748 C VAL A 45 8.745 3.832 -1.697 1.00 0.57 C ATOM 749 O VAL A 45 8.394 2.973 -2.506 1.00 0.64 O ATOM 750 CB VAL A 45 10.957 3.440 -0.612 1.00 0.68 C ATOM 751 CG1 VAL A 45 12.443 3.489 -0.962 1.00 1.21 C ATOM 752 CG2 VAL A 45 10.739 3.880 0.847 1.00 1.01 C ATOM 0 H VAL A 45 10.866 5.879 -0.433 1.00 0.54 H new ATOM 0 HA VAL A 45 10.639 4.177 -2.612 1.00 0.61 H new ATOM 0 HB VAL A 45 10.572 2.422 -0.677 1.00 0.68 H new ATOM 0 HG11 VAL A 45 13.005 2.886 -0.249 1.00 1.21 H new ATOM 0 HG12 VAL A 45 12.593 3.096 -1.967 1.00 1.21 H new ATOM 0 HG13 VAL A 45 12.793 4.520 -0.920 1.00 1.21 H new ATOM 0 HG21 VAL A 45 11.311 3.233 1.512 1.00 1.01 H new ATOM 0 HG22 VAL A 45 11.072 4.911 0.970 1.00 1.01 H new ATOM 0 HG23 VAL A 45 9.680 3.809 1.094 1.00 1.01 H new ATOM 762 N LEU A 46 7.892 4.436 -0.872 1.00 0.53 N ATOM 763 CA LEU A 46 6.509 3.946 -0.857 1.00 0.53 C ATOM 764 C LEU A 46 5.772 4.481 -2.088 1.00 0.44 C ATOM 765 O LEU A 46 4.847 3.853 -2.601 1.00 0.53 O ATOM 766 CB LEU A 46 5.785 4.327 0.439 1.00 0.60 C ATOM 767 CG LEU A 46 6.493 3.920 1.749 1.00 0.67 C ATOM 768 CD1 LEU A 46 5.545 3.613 2.921 1.00 1.09 C ATOM 769 CD2 LEU A 46 7.322 2.657 1.585 1.00 0.81 C ATOM 0 H LEU A 46 8.107 5.211 -0.245 1.00 0.53 H new ATOM 0 HA LEU A 46 6.522 2.857 -0.894 1.00 0.53 H new ATOM 0 HB2 LEU A 46 5.639 5.407 0.447 1.00 0.60 H new ATOM 0 HB3 LEU A 46 4.795 3.872 0.427 1.00 0.60 H new ATOM 0 HG LEU A 46 7.099 4.798 1.972 1.00 0.67 H new ATOM 0 HD11 LEU A 46 6.129 3.336 3.799 1.00 1.09 H new ATOM 0 HD12 LEU A 46 4.947 4.496 3.147 1.00 1.09 H new ATOM 0 HD13 LEU A 46 4.886 2.789 2.649 1.00 1.09 H new ATOM 0 HD21 LEU A 46 7.801 2.410 2.533 1.00 0.81 H new ATOM 0 HD22 LEU A 46 6.675 1.834 1.280 1.00 0.81 H new ATOM 0 HD23 LEU A 46 8.086 2.819 0.824 1.00 0.81 H new ATOM 781 N ARG A 47 6.225 5.625 -2.602 1.00 0.34 N ATOM 782 CA ARG A 47 5.758 6.199 -3.850 1.00 0.35 C ATOM 783 C ARG A 47 6.320 5.469 -5.066 1.00 0.35 C ATOM 784 O ARG A 47 5.652 5.427 -6.094 1.00 0.40 O ATOM 785 CB ARG A 47 6.141 7.678 -3.921 1.00 0.40 C ATOM 786 CG ARG A 47 4.937 8.557 -3.587 1.00 1.26 C ATOM 787 CD ARG A 47 5.388 10.019 -3.532 1.00 1.71 C ATOM 788 NE ARG A 47 4.933 10.779 -4.706 1.00 2.29 N ATOM 789 CZ ARG A 47 5.540 11.857 -5.219 1.00 3.01 C ATOM 790 NH1 ARG A 47 6.676 12.314 -4.687 1.00 3.44 N ATOM 791 NH2 ARG A 47 5.004 12.481 -6.268 1.00 4.00 N ATOM 0 H ARG A 47 6.944 6.186 -2.146 1.00 0.34 H new ATOM 0 HA ARG A 47 4.673 6.092 -3.869 1.00 0.35 H new ATOM 0 HB2 ARG A 47 6.954 7.884 -3.224 1.00 0.40 H new ATOM 0 HB3 ARG A 47 6.508 7.917 -4.919 1.00 0.40 H new ATOM 0 HG2 ARG A 47 4.159 8.431 -4.339 1.00 1.26 H new ATOM 0 HG3 ARG A 47 4.507 8.259 -2.631 1.00 1.26 H new ATOM 0 HD2 ARG A 47 5.000 10.484 -2.626 1.00 1.71 H new ATOM 0 HD3 ARG A 47 6.476 10.061 -3.472 1.00 1.71 H new ATOM 0 HE ARG A 47 4.083 10.458 -5.169 1.00 2.29 H new ATOM 0 HH11 ARG A 47 7.089 11.841 -3.883 1.00 3.44 H new ATOM 0 HH12 ARG A 47 7.131 13.136 -5.085 1.00 3.44 H new ATOM 0 HH21 ARG A 47 4.135 12.137 -6.677 1.00 4.00 H new ATOM 0 HH22 ARG A 47 5.463 13.302 -6.662 1.00 4.00 H new ATOM 805 N GLU A 48 7.505 4.865 -4.976 1.00 0.36 N ATOM 806 CA GLU A 48 8.070 4.132 -6.110 1.00 0.41 C ATOM 807 C GLU A 48 7.231 2.896 -6.441 1.00 0.39 C ATOM 808 O GLU A 48 7.336 2.344 -7.531 1.00 0.46 O ATOM 809 CB GLU A 48 9.532 3.736 -5.830 1.00 0.51 C ATOM 810 CG GLU A 48 10.523 4.557 -6.673 1.00 0.70 C ATOM 811 CD GLU A 48 11.667 3.698 -7.220 1.00 0.87 C ATOM 812 OE1 GLU A 48 11.360 2.730 -7.949 1.00 1.97 O ATOM 813 OE2 GLU A 48 12.835 4.028 -6.919 1.00 1.86 O ATOM 0 H GLU A 48 8.088 4.868 -4.139 1.00 0.36 H new ATOM 0 HA GLU A 48 8.053 4.793 -6.977 1.00 0.41 H new ATOM 0 HB2 GLU A 48 9.750 3.880 -4.772 1.00 0.51 H new ATOM 0 HB3 GLU A 48 9.667 2.675 -6.042 1.00 0.51 H new ATOM 0 HG2 GLU A 48 9.992 5.023 -7.503 1.00 0.70 H new ATOM 0 HG3 GLU A 48 10.934 5.363 -6.065 1.00 0.70 H new ATOM 820 N GLN A 49 6.367 2.481 -5.516 1.00 0.35 N ATOM 821 CA GLN A 49 5.488 1.339 -5.678 1.00 0.35 C ATOM 822 C GLN A 49 4.025 1.764 -5.540 1.00 0.34 C ATOM 823 O GLN A 49 3.138 0.927 -5.391 1.00 0.34 O ATOM 824 CB GLN A 49 5.858 0.333 -4.601 1.00 0.36 C ATOM 825 CG GLN A 49 7.301 -0.177 -4.745 1.00 0.42 C ATOM 826 CD GLN A 49 7.438 -1.225 -5.846 1.00 0.92 C ATOM 827 OE1 GLN A 49 6.454 -1.712 -6.382 1.00 1.73 O ATOM 828 NE2 GLN A 49 8.659 -1.612 -6.190 1.00 0.94 N ATOM 0 H GLN A 49 6.261 2.945 -4.614 1.00 0.35 H new ATOM 0 HA GLN A 49 5.604 0.900 -6.669 1.00 0.35 H new ATOM 0 HB2 GLN A 49 5.734 0.793 -3.621 1.00 0.36 H new ATOM 0 HB3 GLN A 49 5.171 -0.512 -4.646 1.00 0.36 H new ATOM 0 HG2 GLN A 49 7.961 0.663 -4.962 1.00 0.42 H new ATOM 0 HG3 GLN A 49 7.629 -0.604 -3.797 1.00 0.42 H new ATOM 0 HE21 GLN A 49 9.472 -1.198 -5.735 1.00 0.94 H new ATOM 0 HE22 GLN A 49 8.785 -2.324 -6.910 1.00 0.94 H new ATOM 837 N ALA A 50 3.769 3.073 -5.542 1.00 0.41 N ATOM 838 CA ALA A 50 2.422 3.599 -5.393 1.00 0.41 C ATOM 839 C ALA A 50 1.508 2.999 -6.452 1.00 0.39 C ATOM 840 O ALA A 50 1.888 2.876 -7.615 1.00 0.49 O ATOM 841 CB ALA A 50 2.382 5.119 -5.521 1.00 0.61 C ATOM 0 H ALA A 50 4.487 3.789 -5.646 1.00 0.41 H new ATOM 0 HA ALA A 50 2.082 3.327 -4.394 1.00 0.41 H new ATOM 0 HB1 ALA A 50 1.356 5.467 -5.403 1.00 0.61 H new ATOM 0 HB2 ALA A 50 3.008 5.566 -4.749 1.00 0.61 H new ATOM 0 HB3 ALA A 50 2.754 5.411 -6.503 1.00 0.61 H new ATOM 847 N GLY A 51 0.290 2.649 -6.051 1.00 0.38 N ATOM 848 CA GLY A 51 -0.704 2.041 -6.908 1.00 0.49 C ATOM 849 C GLY A 51 -0.146 0.816 -7.635 1.00 0.44 C ATOM 850 O GLY A 51 -0.626 0.479 -8.716 1.00 0.52 O ATOM 0 H GLY A 51 -0.035 2.787 -5.094 1.00 0.38 H new ATOM 0 HA2 GLY A 51 -1.569 1.749 -6.313 1.00 0.49 H new ATOM 0 HA3 GLY A 51 -1.052 2.772 -7.638 1.00 0.49 H new ATOM 854 N GLY A 52 0.874 0.173 -7.058 1.00 0.38 N ATOM 855 CA GLY A 52 1.617 -0.929 -7.629 1.00 0.40 C ATOM 856 C GLY A 52 1.967 -1.914 -6.520 1.00 0.40 C ATOM 857 O GLY A 52 1.671 -1.687 -5.349 1.00 0.44 O ATOM 0 H GLY A 52 1.213 0.429 -6.131 1.00 0.38 H new ATOM 0 HA2 GLY A 52 1.026 -1.423 -8.400 1.00 0.40 H new ATOM 0 HA3 GLY A 52 2.525 -0.563 -8.109 1.00 0.40 H new ATOM 861 N ASP A 53 2.544 -3.048 -6.894 1.00 0.44 N ATOM 862 CA ASP A 53 2.771 -4.187 -6.038 1.00 0.44 C ATOM 863 C ASP A 53 4.062 -4.015 -5.250 1.00 0.46 C ATOM 864 O ASP A 53 5.122 -4.519 -5.613 1.00 0.75 O ATOM 865 CB ASP A 53 2.737 -5.506 -6.835 1.00 0.53 C ATOM 866 CG ASP A 53 2.772 -5.421 -8.366 1.00 1.96 C ATOM 867 OD1 ASP A 53 3.601 -4.655 -8.906 1.00 3.44 O ATOM 868 OD2 ASP A 53 1.911 -6.086 -8.981 1.00 2.73 O ATOM 0 H ASP A 53 2.879 -3.198 -7.846 1.00 0.44 H new ATOM 0 HA ASP A 53 1.956 -4.244 -5.316 1.00 0.44 H new ATOM 0 HB2 ASP A 53 3.584 -6.112 -6.514 1.00 0.53 H new ATOM 0 HB3 ASP A 53 1.833 -6.045 -6.551 1.00 0.53 H new ATOM 873 N ALA A 54 3.970 -3.345 -4.103 1.00 0.38 N ATOM 874 CA ALA A 54 5.162 -3.113 -3.310 1.00 0.40 C ATOM 875 C ALA A 54 5.497 -4.348 -2.487 1.00 0.43 C ATOM 876 O ALA A 54 6.540 -4.363 -1.844 1.00 0.51 O ATOM 877 CB ALA A 54 5.000 -1.881 -2.414 1.00 0.46 C ATOM 0 H ALA A 54 3.106 -2.965 -3.715 1.00 0.38 H new ATOM 0 HA ALA A 54 5.992 -2.917 -3.989 1.00 0.40 H new ATOM 0 HB1 ALA A 54 5.909 -1.733 -1.832 1.00 0.46 H new ATOM 0 HB2 ALA A 54 4.818 -1.002 -3.033 1.00 0.46 H new ATOM 0 HB3 ALA A 54 4.157 -2.030 -1.739 1.00 0.46 H new ATOM 883 N THR A 55 4.626 -5.368 -2.470 1.00 0.45 N ATOM 884 CA THR A 55 4.793 -6.532 -1.620 1.00 0.54 C ATOM 885 C THR A 55 6.117 -7.217 -1.883 1.00 0.49 C ATOM 886 O THR A 55 6.694 -7.721 -0.930 1.00 0.51 O ATOM 887 CB THR A 55 3.619 -7.505 -1.813 1.00 0.74 C ATOM 888 OG1 THR A 55 2.719 -7.377 -0.743 1.00 1.61 O ATOM 889 CG2 THR A 55 4.003 -8.978 -1.866 1.00 0.90 C ATOM 0 H THR A 55 3.788 -5.399 -3.050 1.00 0.45 H new ATOM 0 HA THR A 55 4.798 -6.200 -0.582 1.00 0.54 H new ATOM 0 HB THR A 55 3.195 -7.230 -2.779 1.00 0.74 H new ATOM 0 HG1 THR A 55 2.870 -8.101 -0.100 1.00 1.61 H new ATOM 0 HG21 THR A 55 3.107 -9.583 -2.004 1.00 0.90 H new ATOM 0 HG22 THR A 55 4.686 -9.146 -2.698 1.00 0.90 H new ATOM 0 HG23 THR A 55 4.491 -9.261 -0.933 1.00 0.90 H new ATOM 897 N GLU A 56 6.603 -7.235 -3.129 1.00 0.52 N ATOM 898 CA GLU A 56 7.895 -7.841 -3.411 1.00 0.59 C ATOM 899 C GLU A 56 8.936 -7.257 -2.468 1.00 0.58 C ATOM 900 O GLU A 56 9.657 -8.004 -1.824 1.00 0.79 O ATOM 901 CB GLU A 56 8.303 -7.607 -4.872 1.00 0.66 C ATOM 902 CG GLU A 56 7.943 -8.808 -5.752 1.00 1.69 C ATOM 903 CD GLU A 56 8.689 -8.748 -7.088 1.00 2.14 C ATOM 904 OE1 GLU A 56 8.345 -7.862 -7.898 1.00 2.74 O ATOM 905 OE2 GLU A 56 9.595 -9.589 -7.280 1.00 3.06 O ATOM 0 H GLU A 56 6.126 -6.843 -3.941 1.00 0.52 H new ATOM 0 HA GLU A 56 7.825 -8.918 -3.255 1.00 0.59 H new ATOM 0 HB2 GLU A 56 7.806 -6.714 -5.252 1.00 0.66 H new ATOM 0 HB3 GLU A 56 9.376 -7.423 -4.927 1.00 0.66 H new ATOM 0 HG2 GLU A 56 8.193 -9.733 -5.232 1.00 1.69 H new ATOM 0 HG3 GLU A 56 6.868 -8.824 -5.931 1.00 1.69 H new ATOM 912 N ASN A 57 8.954 -5.933 -2.312 1.00 0.56 N ATOM 913 CA ASN A 57 9.872 -5.282 -1.392 1.00 0.62 C ATOM 914 C ASN A 57 9.472 -5.567 0.038 1.00 0.51 C ATOM 915 O ASN A 57 10.325 -5.927 0.841 1.00 0.53 O ATOM 916 CB ASN A 57 9.886 -3.764 -1.607 1.00 0.74 C ATOM 917 CG ASN A 57 11.250 -3.259 -2.048 1.00 1.29 C ATOM 918 OD1 ASN A 57 12.136 -4.006 -2.436 1.00 2.64 O ATOM 919 ND2 ASN A 57 11.436 -1.953 -1.991 1.00 1.66 N ATOM 0 H ASN A 57 8.339 -5.293 -2.815 1.00 0.56 H new ATOM 0 HA ASN A 57 10.868 -5.679 -1.586 1.00 0.62 H new ATOM 0 HB2 ASN A 57 9.142 -3.498 -2.358 1.00 0.74 H new ATOM 0 HB3 ASN A 57 9.597 -3.265 -0.682 1.00 0.74 H new ATOM 0 HD21 ASN A 57 12.331 -1.552 -2.273 1.00 1.66 H new ATOM 0 HD22 ASN A 57 10.685 -1.345 -1.665 1.00 1.66 H new ATOM 926 N PHE A 58 8.192 -5.365 0.370 1.00 0.49 N ATOM 927 CA PHE A 58 7.764 -5.613 1.769 1.00 0.44 C ATOM 928 C PHE A 58 8.203 -6.991 2.312 1.00 0.46 C ATOM 929 O PHE A 58 8.515 -7.123 3.496 1.00 0.53 O ATOM 930 CB PHE A 58 6.245 -5.455 1.870 1.00 0.53 C ATOM 931 CG PHE A 58 5.643 -5.412 3.270 1.00 0.65 C ATOM 932 CD1 PHE A 58 5.583 -6.570 4.070 1.00 1.63 C ATOM 933 CD2 PHE A 58 5.064 -4.224 3.754 1.00 1.82 C ATOM 934 CE1 PHE A 58 4.994 -6.528 5.345 1.00 1.74 C ATOM 935 CE2 PHE A 58 4.444 -4.192 5.015 1.00 2.04 C ATOM 936 CZ PHE A 58 4.418 -5.339 5.820 1.00 1.28 C ATOM 0 H PHE A 58 7.461 -5.047 -0.266 1.00 0.49 H new ATOM 0 HA PHE A 58 8.264 -4.873 2.394 1.00 0.44 H new ATOM 0 HB2 PHE A 58 5.965 -4.537 1.353 1.00 0.53 H new ATOM 0 HB3 PHE A 58 5.782 -6.280 1.328 1.00 0.53 H new ATOM 0 HD1 PHE A 58 5.993 -7.498 3.700 1.00 1.63 H new ATOM 0 HD2 PHE A 58 5.096 -3.329 3.151 1.00 1.82 H new ATOM 0 HE1 PHE A 58 4.984 -7.414 5.962 1.00 1.74 H new ATOM 0 HE2 PHE A 58 3.985 -3.279 5.365 1.00 2.04 H new ATOM 0 HZ PHE A 58 3.959 -5.308 6.797 1.00 1.28 H new ATOM 946 N GLU A 59 8.228 -8.019 1.466 1.00 0.52 N ATOM 947 CA GLU A 59 8.600 -9.379 1.838 1.00 0.65 C ATOM 948 C GLU A 59 10.109 -9.569 1.737 1.00 0.69 C ATOM 949 O GLU A 59 10.692 -10.160 2.639 1.00 0.75 O ATOM 950 CB GLU A 59 7.882 -10.377 0.916 1.00 0.85 C ATOM 951 CG GLU A 59 6.653 -10.986 1.601 1.00 1.13 C ATOM 952 CD GLU A 59 7.008 -12.114 2.575 1.00 1.37 C ATOM 953 OE1 GLU A 59 7.336 -11.787 3.742 1.00 2.22 O ATOM 954 OE2 GLU A 59 6.872 -13.288 2.166 1.00 1.99 O ATOM 0 H GLU A 59 7.984 -7.925 0.480 1.00 0.52 H new ATOM 0 HA GLU A 59 8.300 -9.557 2.871 1.00 0.65 H new ATOM 0 HB2 GLU A 59 7.577 -9.873 -0.001 1.00 0.85 H new ATOM 0 HB3 GLU A 59 8.572 -11.171 0.629 1.00 0.85 H new ATOM 0 HG2 GLU A 59 6.119 -10.203 2.139 1.00 1.13 H new ATOM 0 HG3 GLU A 59 5.973 -11.371 0.841 1.00 1.13 H new ATOM 961 N ASP A 60 10.743 -9.054 0.677 1.00 0.74 N ATOM 962 CA ASP A 60 12.183 -9.184 0.450 1.00 0.87 C ATOM 963 C ASP A 60 12.918 -8.696 1.677 1.00 0.82 C ATOM 964 O ASP A 60 13.828 -9.351 2.181 1.00 0.98 O ATOM 965 CB ASP A 60 12.664 -8.327 -0.736 1.00 0.95 C ATOM 966 CG ASP A 60 13.170 -9.181 -1.895 1.00 1.50 C ATOM 967 OD1 ASP A 60 12.352 -9.939 -2.459 1.00 2.66 O ATOM 968 OD2 ASP A 60 14.382 -9.079 -2.188 1.00 2.02 O ATOM 0 H ASP A 60 10.263 -8.530 -0.054 1.00 0.74 H new ATOM 0 HA ASP A 60 12.384 -10.234 0.236 1.00 0.87 H new ATOM 0 HB2 ASP A 60 11.845 -7.696 -1.082 1.00 0.95 H new ATOM 0 HB3 ASP A 60 13.460 -7.662 -0.402 1.00 0.95 H new ATOM 973 N VAL A 61 12.523 -7.507 2.139 1.00 0.65 N ATOM 974 CA VAL A 61 13.170 -6.934 3.293 1.00 0.71 C ATOM 975 C VAL A 61 12.897 -7.809 4.508 1.00 0.62 C ATOM 976 O VAL A 61 13.789 -8.016 5.328 1.00 0.81 O ATOM 977 CB VAL A 61 12.782 -5.470 3.521 1.00 0.81 C ATOM 978 CG1 VAL A 61 11.289 -5.347 3.810 1.00 1.98 C ATOM 979 CG2 VAL A 61 13.573 -4.826 4.674 1.00 2.22 C ATOM 0 H VAL A 61 11.775 -6.943 1.735 1.00 0.65 H new ATOM 0 HA VAL A 61 14.245 -6.914 3.114 1.00 0.71 H new ATOM 0 HB VAL A 61 13.028 -4.938 2.602 1.00 0.81 H new ATOM 0 HG11 VAL A 61 11.034 -4.299 3.969 1.00 1.98 H new ATOM 0 HG12 VAL A 61 10.721 -5.734 2.964 1.00 1.98 H new ATOM 0 HG13 VAL A 61 11.043 -5.920 4.704 1.00 1.98 H new ATOM 0 HG21 VAL A 61 13.261 -3.789 4.795 1.00 2.22 H new ATOM 0 HG22 VAL A 61 13.380 -5.373 5.597 1.00 2.22 H new ATOM 0 HG23 VAL A 61 14.639 -4.860 4.448 1.00 2.22 H new ATOM 989 N GLY A 62 11.673 -8.340 4.615 1.00 0.49 N ATOM 990 CA GLY A 62 11.402 -9.301 5.670 1.00 0.65 C ATOM 991 C GLY A 62 10.959 -8.517 6.891 1.00 0.80 C ATOM 992 O GLY A 62 11.590 -8.569 7.944 1.00 1.82 O ATOM 0 H GLY A 62 10.885 -8.126 4.004 1.00 0.49 H new ATOM 0 HA2 GLY A 62 10.627 -10.002 5.361 1.00 0.65 H new ATOM 0 HA3 GLY A 62 12.293 -9.889 5.893 1.00 0.65 H new ATOM 996 N HIS A 63 9.901 -7.722 6.695 1.00 0.59 N ATOM 997 CA HIS A 63 9.448 -6.673 7.598 1.00 0.48 C ATOM 998 C HIS A 63 9.238 -7.152 9.036 1.00 0.53 C ATOM 999 O HIS A 63 9.043 -8.342 9.285 1.00 1.14 O ATOM 1000 CB HIS A 63 8.141 -6.075 7.047 1.00 0.55 C ATOM 1001 CG HIS A 63 8.300 -4.758 6.342 1.00 0.48 C ATOM 1002 ND1 HIS A 63 8.683 -4.613 5.042 1.00 0.43 N ATOM 1003 CD2 HIS A 63 8.070 -3.511 6.859 1.00 0.48 C ATOM 1004 CE1 HIS A 63 8.704 -3.302 4.764 1.00 0.39 C ATOM 1005 NE2 HIS A 63 8.321 -2.589 5.837 1.00 0.41 N ATOM 0 H HIS A 63 9.315 -7.801 5.864 1.00 0.59 H new ATOM 0 HA HIS A 63 10.236 -5.921 7.643 1.00 0.48 H new ATOM 0 HB2 HIS A 63 7.694 -6.790 6.356 1.00 0.55 H new ATOM 0 HB3 HIS A 63 7.440 -5.948 7.872 1.00 0.55 H new ATOM 0 HD1 HIS A 63 8.913 -5.368 4.396 1.00 0.43 H new ATOM 0 HD2 HIS A 63 7.754 -3.282 7.866 1.00 0.48 H new ATOM 0 HE1 HIS A 63 8.989 -2.878 3.812 1.00 0.39 H new ATOM 1013 N SER A 64 9.200 -6.204 9.980 1.00 0.54 N ATOM 1014 CA SER A 64 8.852 -6.526 11.361 1.00 0.72 C ATOM 1015 C SER A 64 7.382 -6.972 11.496 1.00 0.54 C ATOM 1016 O SER A 64 6.555 -6.744 10.617 1.00 0.46 O ATOM 1017 CB SER A 64 9.142 -5.304 12.233 1.00 1.02 C ATOM 1018 OG SER A 64 10.519 -4.998 12.178 1.00 1.79 O ATOM 0 H SER A 64 9.404 -5.219 9.812 1.00 0.54 H new ATOM 0 HA SER A 64 9.458 -7.369 11.693 1.00 0.72 H new ATOM 0 HB2 SER A 64 8.556 -4.452 11.889 1.00 1.02 H new ATOM 0 HB3 SER A 64 8.844 -5.501 13.263 1.00 1.02 H new ATOM 0 HG SER A 64 10.702 -4.214 12.736 1.00 1.79 H new ATOM 1024 N THR A 65 7.023 -7.598 12.619 1.00 0.69 N ATOM 1025 CA THR A 65 5.662 -8.061 12.847 1.00 0.72 C ATOM 1026 C THR A 65 4.730 -6.892 13.164 1.00 0.64 C ATOM 1027 O THR A 65 3.628 -6.835 12.626 1.00 0.71 O ATOM 1028 CB THR A 65 5.711 -9.069 13.992 1.00 0.95 C ATOM 1029 OG1 THR A 65 6.437 -10.203 13.564 1.00 1.14 O ATOM 1030 CG2 THR A 65 4.325 -9.523 14.428 1.00 1.06 C ATOM 0 H THR A 65 7.665 -7.795 13.387 1.00 0.69 H new ATOM 0 HA THR A 65 5.262 -8.534 11.950 1.00 0.72 H new ATOM 0 HB THR A 65 6.187 -8.580 14.842 1.00 0.95 H new ATOM 0 HG1 THR A 65 6.478 -10.859 14.291 1.00 1.14 H new ATOM 0 HG21 THR A 65 4.417 -10.239 15.245 1.00 1.06 H new ATOM 0 HG22 THR A 65 3.749 -8.661 14.764 1.00 1.06 H new ATOM 0 HG23 THR A 65 3.815 -9.994 13.588 1.00 1.06 H new ATOM 1038 N ASP A 66 5.185 -5.917 13.960 1.00 0.66 N ATOM 1039 CA ASP A 66 4.409 -4.704 14.249 1.00 0.79 C ATOM 1040 C ASP A 66 4.053 -3.999 12.949 1.00 0.71 C ATOM 1041 O ASP A 66 3.042 -3.315 12.816 1.00 0.77 O ATOM 1042 CB ASP A 66 5.253 -3.721 15.071 1.00 1.00 C ATOM 1043 CG ASP A 66 5.485 -4.177 16.506 1.00 1.45 C ATOM 1044 OD1 ASP A 66 4.612 -4.901 17.028 1.00 2.41 O ATOM 1045 OD2 ASP A 66 6.556 -3.817 17.041 1.00 2.32 O ATOM 0 H ASP A 66 6.095 -5.945 14.419 1.00 0.66 H new ATOM 0 HA ASP A 66 3.514 -4.999 14.796 1.00 0.79 H new ATOM 0 HB2 ASP A 66 6.217 -3.583 14.581 1.00 1.00 H new ATOM 0 HB3 ASP A 66 4.759 -2.750 15.082 1.00 1.00 H new ATOM 1050 N ALA A 67 4.913 -4.183 11.956 1.00 0.59 N ATOM 1051 CA ALA A 67 4.756 -3.614 10.652 1.00 0.52 C ATOM 1052 C ALA A 67 3.581 -4.320 9.937 1.00 0.52 C ATOM 1053 O ALA A 67 2.724 -3.680 9.333 1.00 0.62 O ATOM 1054 CB ALA A 67 6.146 -3.716 9.998 1.00 0.53 C ATOM 0 H ALA A 67 5.756 -4.749 12.052 1.00 0.59 H new ATOM 0 HA ALA A 67 4.468 -2.563 10.625 1.00 0.52 H new ATOM 0 HB1 ALA A 67 6.106 -3.298 8.992 1.00 0.53 H new ATOM 0 HB2 ALA A 67 6.870 -3.160 10.593 1.00 0.53 H new ATOM 0 HB3 ALA A 67 6.447 -4.762 9.945 1.00 0.53 H new ATOM 1060 N ARG A 68 3.425 -5.636 10.098 1.00 0.52 N ATOM 1061 CA ARG A 68 2.227 -6.317 9.611 1.00 0.59 C ATOM 1062 C ARG A 68 0.937 -5.790 10.308 1.00 0.62 C ATOM 1063 O ARG A 68 -0.150 -6.038 9.801 1.00 0.76 O ATOM 1064 CB ARG A 68 2.312 -7.833 9.897 1.00 0.73 C ATOM 1065 CG ARG A 68 2.021 -8.720 8.676 1.00 1.39 C ATOM 1066 CD ARG A 68 3.308 -9.066 7.908 1.00 1.91 C ATOM 1067 NE ARG A 68 3.309 -10.460 7.428 1.00 2.29 N ATOM 1068 CZ ARG A 68 4.335 -11.080 6.818 1.00 3.17 C ATOM 1069 NH1 ARG A 68 5.476 -10.435 6.573 1.00 4.19 N ATOM 1070 NH2 ARG A 68 4.219 -12.356 6.450 1.00 3.59 N ATOM 0 H ARG A 68 4.105 -6.243 10.556 1.00 0.52 H new ATOM 0 HA ARG A 68 2.175 -6.121 8.540 1.00 0.59 H new ATOM 0 HB2 ARG A 68 3.309 -8.066 10.272 1.00 0.73 H new ATOM 0 HB3 ARG A 68 1.607 -8.082 10.690 1.00 0.73 H new ATOM 0 HG2 ARG A 68 1.532 -9.639 9.001 1.00 1.39 H new ATOM 0 HG3 ARG A 68 1.326 -8.208 8.011 1.00 1.39 H new ATOM 0 HD2 ARG A 68 3.416 -8.391 7.059 1.00 1.91 H new ATOM 0 HD3 ARG A 68 4.170 -8.905 8.555 1.00 1.91 H new ATOM 0 HE ARG A 68 2.457 -11.002 7.571 1.00 2.29 H new ATOM 0 HH11 ARG A 68 5.579 -9.458 6.849 1.00 4.19 H new ATOM 0 HH12 ARG A 68 6.246 -10.918 6.110 1.00 4.19 H new ATOM 0 HH21 ARG A 68 3.352 -12.862 6.631 1.00 3.59 H new ATOM 0 HH22 ARG A 68 4.997 -12.826 5.987 1.00 3.59 H new ATOM 1084 N GLU A 69 1.015 -5.142 11.487 1.00 0.59 N ATOM 1085 CA GLU A 69 -0.153 -4.708 12.280 1.00 0.69 C ATOM 1086 C GLU A 69 -0.555 -3.281 11.958 1.00 0.62 C ATOM 1087 O GLU A 69 -1.742 -2.983 11.852 1.00 0.67 O ATOM 1088 CB GLU A 69 0.149 -4.733 13.785 1.00 0.88 C ATOM 1089 CG GLU A 69 0.178 -6.150 14.362 1.00 1.06 C ATOM 1090 CD GLU A 69 -0.901 -6.349 15.430 1.00 1.56 C ATOM 1091 OE1 GLU A 69 -2.079 -6.060 15.115 1.00 2.71 O ATOM 1092 OE2 GLU A 69 -0.543 -6.803 16.539 1.00 2.34 O ATOM 0 H GLU A 69 1.906 -4.901 11.922 1.00 0.59 H new ATOM 0 HA GLU A 69 -0.951 -5.405 12.025 1.00 0.69 H new ATOM 0 HB2 GLU A 69 1.111 -4.253 13.966 1.00 0.88 H new ATOM 0 HB3 GLU A 69 -0.604 -4.147 14.312 1.00 0.88 H new ATOM 0 HG2 GLU A 69 0.033 -6.873 13.559 1.00 1.06 H new ATOM 0 HG3 GLU A 69 1.159 -6.347 14.795 1.00 1.06 H new ATOM 1099 N LEU A 70 0.411 -2.382 11.769 1.00 0.59 N ATOM 1100 CA LEU A 70 0.130 -1.050 11.292 1.00 0.64 C ATOM 1101 C LEU A 70 -0.634 -1.137 9.978 1.00 0.58 C ATOM 1102 O LEU A 70 -1.470 -0.283 9.704 1.00 0.64 O ATOM 1103 CB LEU A 70 1.463 -0.347 11.079 1.00 0.79 C ATOM 1104 CG LEU A 70 2.071 0.274 12.330 1.00 0.76 C ATOM 1105 CD1 LEU A 70 3.583 0.408 12.133 1.00 2.11 C ATOM 1106 CD2 LEU A 70 1.449 1.647 12.518 1.00 1.07 C ATOM 0 H LEU A 70 1.399 -2.565 11.944 1.00 0.59 H new ATOM 0 HA LEU A 70 -0.477 -0.497 12.009 1.00 0.64 H new ATOM 0 HB2 LEU A 70 2.173 -1.064 10.666 1.00 0.79 H new ATOM 0 HB3 LEU A 70 1.329 0.435 10.332 1.00 0.79 H new ATOM 0 HG LEU A 70 1.881 -0.345 13.207 1.00 0.76 H new ATOM 0 HD11 LEU A 70 4.028 0.852 13.024 1.00 2.11 H new ATOM 0 HD12 LEU A 70 4.017 -0.578 11.963 1.00 2.11 H new ATOM 0 HD13 LEU A 70 3.783 1.045 11.272 1.00 2.11 H new ATOM 0 HD21 LEU A 70 1.866 2.117 13.409 1.00 1.07 H new ATOM 0 HD22 LEU A 70 1.664 2.266 11.647 1.00 1.07 H new ATOM 0 HD23 LEU A 70 0.370 1.545 12.634 1.00 1.07 H new ATOM 1118 N SER A 71 -0.416 -2.196 9.192 1.00 0.60 N ATOM 1119 CA SER A 71 -1.191 -2.398 7.984 1.00 0.70 C ATOM 1120 C SER A 71 -2.699 -2.305 8.250 1.00 0.72 C ATOM 1121 O SER A 71 -3.451 -1.736 7.463 1.00 0.81 O ATOM 1122 CB SER A 71 -0.758 -3.682 7.269 1.00 0.86 C ATOM 1123 OG SER A 71 -1.663 -4.735 7.513 1.00 2.57 O ATOM 0 H SER A 71 0.285 -2.914 9.375 1.00 0.60 H new ATOM 0 HA SER A 71 -0.979 -1.582 7.293 1.00 0.70 H new ATOM 0 HB2 SER A 71 -0.691 -3.499 6.197 1.00 0.86 H new ATOM 0 HB3 SER A 71 0.238 -3.970 7.606 1.00 0.86 H new ATOM 0 HG SER A 71 -1.322 -5.298 8.239 1.00 2.57 H new ATOM 1129 N LYS A 72 -3.157 -2.804 9.396 1.00 0.74 N ATOM 1130 CA LYS A 72 -4.560 -2.794 9.775 1.00 0.89 C ATOM 1131 C LYS A 72 -5.131 -1.371 9.828 1.00 0.84 C ATOM 1132 O LYS A 72 -6.296 -1.177 9.503 1.00 1.00 O ATOM 1133 CB LYS A 72 -4.690 -3.493 11.138 1.00 1.04 C ATOM 1134 CG LYS A 72 -6.006 -4.268 11.269 1.00 1.24 C ATOM 1135 CD LYS A 72 -5.742 -5.756 11.006 1.00 1.71 C ATOM 1136 CE LYS A 72 -7.012 -6.598 11.151 1.00 2.14 C ATOM 1137 NZ LYS A 72 -7.434 -6.719 12.564 1.00 3.25 N ATOM 0 H LYS A 72 -2.551 -3.232 10.095 1.00 0.74 H new ATOM 0 HA LYS A 72 -5.141 -3.326 9.021 1.00 0.89 H new ATOM 0 HB2 LYS A 72 -3.852 -4.177 11.275 1.00 1.04 H new ATOM 0 HB3 LYS A 72 -4.628 -2.750 11.933 1.00 1.04 H new ATOM 0 HG2 LYS A 72 -6.425 -4.131 12.266 1.00 1.24 H new ATOM 0 HG3 LYS A 72 -6.740 -3.885 10.560 1.00 1.24 H new ATOM 0 HD2 LYS A 72 -5.337 -5.880 10.002 1.00 1.71 H new ATOM 0 HD3 LYS A 72 -4.985 -6.118 11.702 1.00 1.71 H new ATOM 0 HE2 LYS A 72 -7.816 -6.146 10.569 1.00 2.14 H new ATOM 0 HE3 LYS A 72 -6.838 -7.591 10.737 1.00 2.14 H new ATOM 0 HZ1 LYS A 72 -8.288 -7.310 12.622 1.00 3.25 H new ATOM 0 HZ2 LYS A 72 -6.671 -7.157 13.118 1.00 3.25 H new ATOM 0 HZ3 LYS A 72 -7.641 -5.774 12.947 1.00 3.25 H new ATOM 1151 N THR A 73 -4.324 -0.372 10.197 1.00 0.69 N ATOM 1152 CA THR A 73 -4.739 1.031 10.273 1.00 0.72 C ATOM 1153 C THR A 73 -4.474 1.779 8.951 1.00 0.67 C ATOM 1154 O THR A 73 -4.560 3.002 8.889 1.00 0.91 O ATOM 1155 CB THR A 73 -4.126 1.666 11.538 1.00 0.71 C ATOM 1156 OG1 THR A 73 -5.010 2.603 12.117 1.00 1.40 O ATOM 1157 CG2 THR A 73 -2.779 2.356 11.331 1.00 1.21 C ATOM 0 H THR A 73 -3.348 -0.518 10.455 1.00 0.69 H new ATOM 0 HA THR A 73 -5.820 1.108 10.386 1.00 0.72 H new ATOM 0 HB THR A 73 -3.955 0.815 12.198 1.00 0.71 H new ATOM 0 HG1 THR A 73 -4.598 2.990 12.918 1.00 1.40 H new ATOM 0 HG21 THR A 73 -2.433 2.770 12.278 1.00 1.21 H new ATOM 0 HG22 THR A 73 -2.052 1.632 10.964 1.00 1.21 H new ATOM 0 HG23 THR A 73 -2.890 3.160 10.603 1.00 1.21 H new ATOM 1165 N PHE A 74 -4.179 1.037 7.880 1.00 0.58 N ATOM 1166 CA PHE A 74 -3.847 1.551 6.557 1.00 0.50 C ATOM 1167 C PHE A 74 -4.644 0.873 5.452 1.00 0.44 C ATOM 1168 O PHE A 74 -4.760 1.436 4.369 1.00 0.45 O ATOM 1169 CB PHE A 74 -2.360 1.319 6.296 1.00 0.55 C ATOM 1170 CG PHE A 74 -1.423 2.053 7.205 1.00 0.61 C ATOM 1171 CD1 PHE A 74 -1.706 3.356 7.645 1.00 1.96 C ATOM 1172 CD2 PHE A 74 -0.234 1.419 7.583 1.00 1.50 C ATOM 1173 CE1 PHE A 74 -0.840 3.982 8.546 1.00 2.06 C ATOM 1174 CE2 PHE A 74 0.679 2.090 8.397 1.00 1.50 C ATOM 1175 CZ PHE A 74 0.339 3.333 8.933 1.00 0.90 C ATOM 0 H PHE A 74 -4.166 0.018 7.918 1.00 0.58 H new ATOM 0 HA PHE A 74 -4.095 2.612 6.545 1.00 0.50 H new ATOM 0 HB2 PHE A 74 -2.157 0.251 6.379 1.00 0.55 H new ATOM 0 HB3 PHE A 74 -2.140 1.606 5.268 1.00 0.55 H new ATOM 0 HD1 PHE A 74 -2.586 3.871 7.290 1.00 1.96 H new ATOM 0 HD2 PHE A 74 -0.024 0.415 7.246 1.00 1.50 H new ATOM 0 HE1 PHE A 74 -1.078 4.959 8.941 1.00 2.06 H new ATOM 0 HE2 PHE A 74 1.642 1.651 8.611 1.00 1.50 H new ATOM 0 HZ PHE A 74 0.993 3.800 9.655 1.00 0.90 H new ATOM 1185 N ILE A 75 -5.173 -0.334 5.656 1.00 0.46 N ATOM 1186 CA ILE A 75 -5.998 -0.966 4.652 1.00 0.41 C ATOM 1187 C ILE A 75 -7.208 -0.073 4.435 1.00 0.41 C ATOM 1188 O ILE A 75 -7.875 0.339 5.380 1.00 0.52 O ATOM 1189 CB ILE A 75 -6.329 -2.412 5.075 1.00 0.45 C ATOM 1190 CG1 ILE A 75 -5.880 -3.386 3.983 1.00 0.66 C ATOM 1191 CG2 ILE A 75 -7.812 -2.681 5.357 1.00 0.67 C ATOM 1192 CD1 ILE A 75 -5.659 -4.782 4.570 1.00 0.94 C ATOM 0 H ILE A 75 -5.040 -0.883 6.505 1.00 0.46 H new ATOM 0 HA ILE A 75 -5.488 -1.068 3.694 1.00 0.41 H new ATOM 0 HB ILE A 75 -5.793 -2.559 6.013 1.00 0.45 H new ATOM 0 HG12 ILE A 75 -6.632 -3.431 3.195 1.00 0.66 H new ATOM 0 HG13 ILE A 75 -4.959 -3.028 3.524 1.00 0.66 H new ATOM 0 HG21 ILE A 75 -7.944 -3.723 5.647 1.00 0.67 H new ATOM 0 HG22 ILE A 75 -8.152 -2.034 6.166 1.00 0.67 H new ATOM 0 HG23 ILE A 75 -8.396 -2.477 4.459 1.00 0.67 H new ATOM 0 HD11 ILE A 75 -5.340 -5.462 3.780 1.00 0.94 H new ATOM 0 HD12 ILE A 75 -4.890 -4.735 5.341 1.00 0.94 H new ATOM 0 HD13 ILE A 75 -6.589 -5.144 5.007 1.00 0.94 H new ATOM 1204 N ILE A 76 -7.480 0.225 3.172 1.00 0.37 N ATOM 1205 CA ILE A 76 -8.636 1.005 2.782 1.00 0.39 C ATOM 1206 C ILE A 76 -9.499 0.189 1.837 1.00 0.43 C ATOM 1207 O ILE A 76 -10.450 0.734 1.299 1.00 0.59 O ATOM 1208 CB ILE A 76 -8.218 2.356 2.176 1.00 0.38 C ATOM 1209 CG1 ILE A 76 -7.331 2.179 0.929 1.00 0.37 C ATOM 1210 CG2 ILE A 76 -7.560 3.244 3.232 1.00 0.45 C ATOM 1211 CD1 ILE A 76 -8.195 2.210 -0.322 1.00 0.60 C ATOM 0 H ILE A 76 -6.899 -0.071 2.388 1.00 0.37 H new ATOM 0 HA ILE A 76 -9.229 1.239 3.666 1.00 0.39 H new ATOM 0 HB ILE A 76 -9.122 2.863 1.837 1.00 0.38 H new ATOM 0 HG12 ILE A 76 -6.584 2.972 0.887 1.00 0.37 H new ATOM 0 HG13 ILE A 76 -6.790 1.234 0.986 1.00 0.37 H new ATOM 0 HG21 ILE A 76 -7.273 4.194 2.781 1.00 0.45 H new ATOM 0 HG22 ILE A 76 -8.264 3.426 4.044 1.00 0.45 H new ATOM 0 HG23 ILE A 76 -6.674 2.746 3.625 1.00 0.45 H new ATOM 0 HD11 ILE A 76 -7.565 2.085 -1.203 1.00 0.60 H new ATOM 0 HD12 ILE A 76 -8.925 1.402 -0.280 1.00 0.60 H new ATOM 0 HD13 ILE A 76 -8.715 3.166 -0.381 1.00 0.60 H new ATOM 1223 N GLY A 77 -9.188 -1.090 1.604 1.00 0.42 N ATOM 1224 CA GLY A 77 -9.955 -1.950 0.723 1.00 0.49 C ATOM 1225 C GLY A 77 -9.067 -3.102 0.276 1.00 0.41 C ATOM 1226 O GLY A 77 -7.996 -3.321 0.839 1.00 0.39 O ATOM 0 H GLY A 77 -8.386 -1.554 2.031 1.00 0.42 H new ATOM 0 HA2 GLY A 77 -10.837 -2.330 1.239 1.00 0.49 H new ATOM 0 HA3 GLY A 77 -10.309 -1.388 -0.141 1.00 0.49 H new ATOM 1230 N GLU A 78 -9.500 -3.852 -0.736 1.00 0.48 N ATOM 1231 CA GLU A 78 -8.738 -4.963 -1.282 1.00 0.50 C ATOM 1232 C GLU A 78 -8.899 -4.940 -2.796 1.00 0.58 C ATOM 1233 O GLU A 78 -9.744 -4.203 -3.306 1.00 0.68 O ATOM 1234 CB GLU A 78 -9.243 -6.279 -0.679 1.00 0.54 C ATOM 1235 CG GLU A 78 -8.926 -6.357 0.816 1.00 2.00 C ATOM 1236 CD GLU A 78 -9.705 -7.440 1.545 1.00 2.22 C ATOM 1237 OE1 GLU A 78 -9.498 -8.623 1.199 1.00 2.34 O ATOM 1238 OE2 GLU A 78 -10.343 -7.099 2.560 1.00 3.31 O ATOM 0 H GLU A 78 -10.396 -3.701 -1.200 1.00 0.48 H new ATOM 0 HA GLU A 78 -7.680 -4.876 -1.034 1.00 0.50 H new ATOM 0 HB2 GLU A 78 -10.319 -6.363 -0.831 1.00 0.54 H new ATOM 0 HB3 GLU A 78 -8.782 -7.120 -1.196 1.00 0.54 H new ATOM 0 HG2 GLU A 78 -7.859 -6.539 0.944 1.00 2.00 H new ATOM 0 HG3 GLU A 78 -9.142 -5.393 1.276 1.00 2.00 H new ATOM 1245 N LEU A 79 -8.085 -5.713 -3.519 1.00 0.71 N ATOM 1246 CA LEU A 79 -8.198 -5.795 -4.963 1.00 0.84 C ATOM 1247 C LEU A 79 -9.483 -6.541 -5.296 1.00 0.68 C ATOM 1248 O LEU A 79 -9.748 -7.602 -4.733 1.00 0.89 O ATOM 1249 CB LEU A 79 -6.952 -6.495 -5.540 1.00 1.25 C ATOM 1250 CG LEU A 79 -5.890 -5.484 -5.961 1.00 0.68 C ATOM 1251 CD1 LEU A 79 -5.498 -4.535 -4.847 1.00 1.47 C ATOM 1252 CD2 LEU A 79 -4.632 -6.176 -6.481 1.00 1.64 C ATOM 0 H LEU A 79 -7.343 -6.288 -3.121 1.00 0.71 H new ATOM 0 HA LEU A 79 -8.245 -4.803 -5.413 1.00 0.84 H new ATOM 0 HB2 LEU A 79 -6.536 -7.173 -4.795 1.00 1.25 H new ATOM 0 HB3 LEU A 79 -7.239 -7.102 -6.398 1.00 1.25 H new ATOM 0 HG LEU A 79 -6.350 -4.901 -6.759 1.00 0.68 H new ATOM 0 HD11 LEU A 79 -4.740 -3.841 -5.210 1.00 1.47 H new ATOM 0 HD12 LEU A 79 -6.375 -3.976 -4.520 1.00 1.47 H new ATOM 0 HD13 LEU A 79 -5.097 -5.104 -4.008 1.00 1.47 H new ATOM 0 HD21 LEU A 79 -3.897 -5.425 -6.772 1.00 1.64 H new ATOM 0 HD22 LEU A 79 -4.214 -6.808 -5.697 1.00 1.64 H new ATOM 0 HD23 LEU A 79 -4.885 -6.790 -7.346 1.00 1.64 H new ATOM 1264 N HIS A 80 -10.280 -5.991 -6.213 1.00 0.55 N ATOM 1265 CA HIS A 80 -11.486 -6.668 -6.663 1.00 0.70 C ATOM 1266 C HIS A 80 -11.165 -8.050 -7.262 1.00 0.88 C ATOM 1267 O HIS A 80 -10.020 -8.334 -7.646 1.00 0.99 O ATOM 1268 CB HIS A 80 -12.226 -5.783 -7.675 1.00 0.93 C ATOM 1269 CG HIS A 80 -13.413 -5.052 -7.092 1.00 1.37 C ATOM 1270 ND1 HIS A 80 -14.608 -5.609 -6.685 1.00 2.77 N ATOM 1271 CD2 HIS A 80 -13.535 -3.698 -6.954 1.00 0.98 C ATOM 1272 CE1 HIS A 80 -15.429 -4.605 -6.334 1.00 2.71 C ATOM 1273 NE2 HIS A 80 -14.824 -3.426 -6.500 1.00 1.48 N ATOM 0 H HIS A 80 -10.110 -5.086 -6.653 1.00 0.55 H new ATOM 0 HA HIS A 80 -12.133 -6.837 -5.802 1.00 0.70 H new ATOM 0 HB2 HIS A 80 -11.527 -5.054 -8.085 1.00 0.93 H new ATOM 0 HB3 HIS A 80 -12.565 -6.402 -8.506 1.00 0.93 H new ATOM 0 HD2 HIS A 80 -12.767 -2.967 -7.161 1.00 0.98 H new ATOM 0 HE1 HIS A 80 -16.437 -4.733 -5.969 1.00 2.71 H new ATOM 0 HE2 HIS A 80 -15.227 -2.505 -6.328 1.00 1.48 H new ATOM 1281 N PRO A 81 -12.187 -8.917 -7.366 1.00 1.31 N ATOM 1282 CA PRO A 81 -12.056 -10.253 -7.897 1.00 1.82 C ATOM 1283 C PRO A 81 -11.859 -10.175 -9.403 1.00 1.89 C ATOM 1284 O PRO A 81 -12.821 -10.243 -10.157 1.00 2.86 O ATOM 1285 CB PRO A 81 -13.331 -11.002 -7.499 1.00 2.35 C ATOM 1286 CG PRO A 81 -14.377 -9.906 -7.306 1.00 2.18 C ATOM 1287 CD PRO A 81 -13.578 -8.624 -7.074 1.00 1.56 C ATOM 0 HA PRO A 81 -11.190 -10.785 -7.502 1.00 1.82 H new ATOM 0 HB2 PRO A 81 -13.634 -11.708 -8.273 1.00 2.35 H new ATOM 0 HB3 PRO A 81 -13.184 -11.576 -6.584 1.00 2.35 H new ATOM 0 HG2 PRO A 81 -15.019 -9.816 -8.182 1.00 2.18 H new ATOM 0 HG3 PRO A 81 -15.025 -10.125 -6.457 1.00 2.18 H new ATOM 0 HD2 PRO A 81 -13.944 -7.823 -7.716 1.00 1.56 H new ATOM 0 HD3 PRO A 81 -13.690 -8.284 -6.045 1.00 1.56 H new ATOM 1295 N ASP A 82 -10.605 -10.006 -9.810 1.00 2.15 N ATOM 1296 CA ASP A 82 -10.177 -9.977 -11.201 1.00 2.36 C ATOM 1297 C ASP A 82 -8.655 -9.997 -11.216 1.00 2.28 C ATOM 1298 O ASP A 82 -8.058 -10.763 -11.963 1.00 2.45 O ATOM 1299 CB ASP A 82 -10.679 -8.702 -11.905 1.00 2.69 C ATOM 1300 CG ASP A 82 -11.659 -8.974 -13.051 1.00 3.13 C ATOM 1301 OD1 ASP A 82 -12.058 -10.145 -13.242 1.00 3.57 O ATOM 1302 OD2 ASP A 82 -11.966 -7.989 -13.757 1.00 3.95 O ATOM 0 H ASP A 82 -9.833 -9.881 -9.156 1.00 2.15 H new ATOM 0 HA ASP A 82 -10.588 -10.837 -11.730 1.00 2.36 H new ATOM 0 HB2 ASP A 82 -11.163 -8.059 -11.170 1.00 2.69 H new ATOM 0 HB3 ASP A 82 -9.822 -8.152 -12.295 1.00 2.69 H new ATOM 1307 N ASP A 83 -8.024 -9.205 -10.338 1.00 2.14 N ATOM 1308 CA ASP A 83 -6.564 -9.139 -10.258 1.00 2.32 C ATOM 1309 C ASP A 83 -6.062 -9.701 -8.942 1.00 2.33 C ATOM 1310 O ASP A 83 -4.999 -10.303 -8.902 1.00 2.68 O ATOM 1311 CB ASP A 83 -6.059 -7.707 -10.413 1.00 2.59 C ATOM 1312 CG ASP A 83 -5.004 -7.625 -11.516 1.00 4.03 C ATOM 1313 OD1 ASP A 83 -4.002 -8.360 -11.379 1.00 5.11 O ATOM 1314 OD2 ASP A 83 -5.214 -6.866 -12.490 1.00 4.60 O ATOM 0 H ASP A 83 -8.506 -8.601 -9.673 1.00 2.14 H new ATOM 0 HA ASP A 83 -6.177 -9.742 -11.079 1.00 2.32 H new ATOM 0 HB2 ASP A 83 -6.892 -7.045 -10.649 1.00 2.59 H new ATOM 0 HB3 ASP A 83 -5.635 -7.361 -9.470 1.00 2.59 H new ATOM 1319 N ARG A 84 -6.853 -9.612 -7.869 1.00 2.60 N ATOM 1320 CA ARG A 84 -6.478 -10.202 -6.585 1.00 3.05 C ATOM 1321 C ARG A 84 -6.159 -11.688 -6.698 1.00 3.33 C ATOM 1322 O ARG A 84 -5.465 -12.229 -5.845 1.00 3.87 O ATOM 1323 CB ARG A 84 -7.611 -9.971 -5.580 1.00 3.25 C ATOM 1324 CG ARG A 84 -8.898 -10.725 -5.917 1.00 3.46 C ATOM 1325 CD ARG A 84 -9.000 -12.000 -5.084 1.00 3.84 C ATOM 1326 NE ARG A 84 -10.192 -12.771 -5.455 1.00 4.97 N ATOM 1327 CZ ARG A 84 -10.817 -13.647 -4.662 1.00 5.86 C ATOM 1328 NH1 ARG A 84 -10.348 -13.896 -3.439 1.00 5.95 N ATOM 1329 NH2 ARG A 84 -11.911 -14.271 -5.097 1.00 7.24 N ATOM 0 H ARG A 84 -7.756 -9.137 -7.866 1.00 2.60 H new ATOM 0 HA ARG A 84 -5.566 -9.714 -6.241 1.00 3.05 H new ATOM 0 HB2 ARG A 84 -7.272 -10.274 -4.589 1.00 3.25 H new ATOM 0 HB3 ARG A 84 -7.828 -8.904 -5.531 1.00 3.25 H new ATOM 0 HG2 ARG A 84 -9.761 -10.088 -5.726 1.00 3.46 H new ATOM 0 HG3 ARG A 84 -8.914 -10.974 -6.978 1.00 3.46 H new ATOM 0 HD2 ARG A 84 -8.108 -12.608 -5.231 1.00 3.84 H new ATOM 0 HD3 ARG A 84 -9.041 -11.746 -4.025 1.00 3.84 H new ATOM 0 HE ARG A 84 -10.573 -12.627 -6.390 1.00 4.97 H new ATOM 0 HH11 ARG A 84 -9.511 -13.418 -3.107 1.00 5.95 H new ATOM 0 HH12 ARG A 84 -10.827 -14.565 -2.836 1.00 5.95 H new ATOM 0 HH21 ARG A 84 -12.269 -14.080 -6.033 1.00 7.24 H new ATOM 0 HH22 ARG A 84 -12.390 -14.940 -4.494 1.00 7.24 H new ATOM 1343 N SER A 85 -6.694 -12.350 -7.727 1.00 3.17 N ATOM 1344 CA SER A 85 -6.455 -13.757 -7.978 1.00 3.61 C ATOM 1345 C SER A 85 -5.567 -13.977 -9.201 1.00 4.28 C ATOM 1346 O SER A 85 -5.132 -15.104 -9.414 1.00 4.98 O ATOM 1347 CB SER A 85 -7.799 -14.457 -8.180 1.00 3.36 C ATOM 1348 OG SER A 85 -7.639 -15.850 -8.025 1.00 3.88 O ATOM 0 H SER A 85 -7.310 -11.912 -8.411 1.00 3.17 H new ATOM 0 HA SER A 85 -5.931 -14.175 -7.118 1.00 3.61 H new ATOM 0 HB2 SER A 85 -8.527 -14.083 -7.460 1.00 3.36 H new ATOM 0 HB3 SER A 85 -8.190 -14.235 -9.173 1.00 3.36 H new ATOM 0 HG SER A 85 -6.805 -16.133 -8.454 1.00 3.88 H new ATOM 1354 N LYS A 86 -5.326 -12.941 -10.011 1.00 4.50 N ATOM 1355 CA LYS A 86 -4.439 -13.018 -11.163 1.00 5.88 C ATOM 1356 C LYS A 86 -3.058 -12.542 -10.745 1.00 7.15 C ATOM 1357 O LYS A 86 -2.151 -13.364 -10.659 1.00 8.51 O ATOM 1358 CB LYS A 86 -4.970 -12.188 -12.342 1.00 6.35 C ATOM 1359 CG LYS A 86 -5.279 -13.073 -13.549 1.00 6.88 C ATOM 1360 CD LYS A 86 -5.223 -12.241 -14.830 1.00 8.27 C ATOM 1361 CE LYS A 86 -5.607 -13.136 -16.009 1.00 8.87 C ATOM 1362 NZ LYS A 86 -5.260 -12.517 -17.304 1.00 10.25 N ATOM 0 H LYS A 86 -5.747 -12.021 -9.880 1.00 4.50 H new ATOM 0 HA LYS A 86 -4.387 -14.052 -11.504 1.00 5.88 H new ATOM 0 HB2 LYS A 86 -5.871 -11.656 -12.038 1.00 6.35 H new ATOM 0 HB3 LYS A 86 -4.233 -11.434 -12.620 1.00 6.35 H new ATOM 0 HG2 LYS A 86 -4.561 -13.891 -13.605 1.00 6.88 H new ATOM 0 HG3 LYS A 86 -6.266 -13.522 -13.439 1.00 6.88 H new ATOM 0 HD2 LYS A 86 -5.905 -11.393 -14.761 1.00 8.27 H new ATOM 0 HD3 LYS A 86 -4.222 -11.834 -14.974 1.00 8.27 H new ATOM 0 HE2 LYS A 86 -5.099 -14.096 -15.917 1.00 8.87 H new ATOM 0 HE3 LYS A 86 -6.678 -13.338 -15.978 1.00 8.87 H new ATOM 0 HZ1 LYS A 86 -5.536 -13.154 -18.078 1.00 10.25 H new ATOM 0 HZ2 LYS A 86 -5.765 -11.613 -17.403 1.00 10.25 H new ATOM 0 HZ3 LYS A 86 -4.235 -12.347 -17.344 1.00 10.25 H new ATOM 1376 N LEU A 87 -2.908 -11.240 -10.473 1.00 7.04 N ATOM 1377 CA LEU A 87 -1.688 -10.566 -10.049 1.00 8.30 C ATOM 1378 C LEU A 87 -0.727 -10.455 -11.235 1.00 9.44 C ATOM 1379 O LEU A 87 -0.454 -9.368 -11.735 1.00 9.99 O ATOM 1380 CB LEU A 87 -1.057 -11.265 -8.828 1.00 8.37 C ATOM 1381 CG LEU A 87 -2.030 -11.455 -7.647 1.00 7.66 C ATOM 1382 CD1 LEU A 87 -1.464 -12.512 -6.697 1.00 7.80 C ATOM 1383 CD2 LEU A 87 -2.267 -10.137 -6.898 1.00 8.07 C ATOM 0 H LEU A 87 -3.692 -10.592 -10.550 1.00 7.04 H new ATOM 0 HA LEU A 87 -1.927 -9.555 -9.720 1.00 8.30 H new ATOM 0 HB2 LEU A 87 -0.678 -12.240 -9.135 1.00 8.37 H new ATOM 0 HB3 LEU A 87 -0.200 -10.682 -8.490 1.00 8.37 H new ATOM 0 HG LEU A 87 -2.992 -11.786 -8.037 1.00 7.66 H new ATOM 0 HD11 LEU A 87 -2.147 -12.651 -5.859 1.00 7.80 H new ATOM 0 HD12 LEU A 87 -1.347 -13.455 -7.230 1.00 7.80 H new ATOM 0 HD13 LEU A 87 -0.494 -12.183 -6.323 1.00 7.80 H new ATOM 0 HD21 LEU A 87 -2.957 -10.307 -6.072 1.00 8.07 H new ATOM 0 HD22 LEU A 87 -1.320 -9.765 -6.508 1.00 8.07 H new ATOM 0 HD23 LEU A 87 -2.693 -9.402 -7.581 1.00 8.07 H new ATOM 1395 N SER A 88 -0.221 -11.586 -11.719 1.00 10.17 N ATOM 1396 CA SER A 88 0.524 -11.654 -12.959 1.00 11.21 C ATOM 1397 C SER A 88 -0.430 -11.545 -14.146 1.00 11.21 C ATOM 1398 O SER A 88 -1.363 -12.337 -14.282 1.00 10.68 O ATOM 1399 CB SER A 88 1.283 -12.980 -12.989 1.00 11.72 C ATOM 1400 OG SER A 88 2.509 -12.815 -12.311 1.00 13.08 O ATOM 0 H SER A 88 -0.321 -12.487 -11.252 1.00 10.17 H new ATOM 0 HA SER A 88 1.232 -10.828 -13.024 1.00 11.21 H new ATOM 0 HB2 SER A 88 0.692 -13.764 -12.516 1.00 11.72 H new ATOM 0 HB3 SER A 88 1.460 -13.291 -14.019 1.00 11.72 H new ATOM 0 HG SER A 88 3.005 -13.660 -12.322 1.00 13.08 H new ATOM 1406 N LYS A 89 -0.175 -10.589 -15.042 1.00 12.07 N ATOM 1407 CA LYS A 89 -0.883 -10.481 -16.307 1.00 12.46 C ATOM 1408 C LYS A 89 0.117 -10.005 -17.360 1.00 13.79 C ATOM 1409 O LYS A 89 0.862 -9.071 -17.081 1.00 14.61 O ATOM 1410 CB LYS A 89 -2.080 -9.532 -16.144 1.00 12.26 C ATOM 1411 CG LYS A 89 -1.679 -8.087 -15.814 1.00 13.67 C ATOM 1412 CD LYS A 89 -2.897 -7.292 -15.337 1.00 14.00 C ATOM 1413 CE LYS A 89 -2.436 -5.890 -14.931 1.00 15.66 C ATOM 1414 NZ LYS A 89 -3.067 -4.833 -15.746 1.00 16.33 N ATOM 0 H LYS A 89 0.533 -9.868 -14.904 1.00 12.07 H new ATOM 0 HA LYS A 89 -1.289 -11.440 -16.629 1.00 12.46 H new ATOM 0 HB2 LYS A 89 -2.665 -9.537 -17.064 1.00 12.26 H new ATOM 0 HB3 LYS A 89 -2.728 -9.910 -15.353 1.00 12.26 H new ATOM 0 HG2 LYS A 89 -0.909 -8.083 -15.042 1.00 13.67 H new ATOM 0 HG3 LYS A 89 -1.249 -7.612 -16.696 1.00 13.67 H new ATOM 0 HD2 LYS A 89 -3.643 -7.230 -16.130 1.00 14.00 H new ATOM 0 HD3 LYS A 89 -3.370 -7.794 -14.493 1.00 14.00 H new ATOM 0 HE2 LYS A 89 -2.671 -5.723 -13.880 1.00 15.66 H new ATOM 0 HE3 LYS A 89 -1.353 -5.824 -15.030 1.00 15.66 H new ATOM 0 HZ1 LYS A 89 -2.492 -3.968 -15.698 1.00 16.33 H new ATOM 0 HZ2 LYS A 89 -3.134 -5.150 -16.734 1.00 16.33 H new ATOM 0 HZ3 LYS A 89 -4.021 -4.636 -15.381 1.00 16.33 H new ATOM 1428 N PRO A 90 0.169 -10.638 -18.541 1.00 14.21 N ATOM 1429 CA PRO A 90 1.065 -10.218 -19.604 1.00 15.61 C ATOM 1430 C PRO A 90 0.560 -8.909 -20.211 1.00 16.25 C ATOM 1431 O PRO A 90 1.299 -7.932 -20.274 1.00 17.10 O ATOM 1432 CB PRO A 90 1.087 -11.376 -20.608 1.00 15.91 C ATOM 1433 CG PRO A 90 -0.175 -12.197 -20.323 1.00 14.75 C ATOM 1434 CD PRO A 90 -0.628 -11.789 -18.920 1.00 13.62 C ATOM 0 HA PRO A 90 2.078 -10.013 -19.256 1.00 15.61 H new ATOM 0 HB2 PRO A 90 1.090 -11.005 -21.633 1.00 15.91 H new ATOM 0 HB3 PRO A 90 1.984 -11.983 -20.486 1.00 15.91 H new ATOM 0 HG2 PRO A 90 -0.951 -11.990 -21.060 1.00 14.75 H new ATOM 0 HG3 PRO A 90 0.034 -13.266 -20.371 1.00 14.75 H new ATOM 0 HD2 PRO A 90 -1.690 -11.543 -18.913 1.00 13.62 H new ATOM 0 HD3 PRO A 90 -0.485 -12.607 -18.214 1.00 13.62 H new ATOM 1442 N MET A 91 -0.724 -8.882 -20.586 1.00 16.05 N ATOM 1443 CA MET A 91 -1.371 -7.771 -21.278 1.00 16.74 C ATOM 1444 C MET A 91 -0.774 -7.579 -22.679 1.00 17.88 C ATOM 1445 O MET A 91 0.202 -8.232 -23.037 1.00 18.49 O ATOM 1446 CB MET A 91 -1.287 -6.489 -20.428 1.00 17.46 C ATOM 1447 CG MET A 91 -2.531 -5.619 -20.635 1.00 17.58 C ATOM 1448 SD MET A 91 -2.269 -3.824 -20.594 1.00 19.05 S ATOM 1449 CE MET A 91 -2.347 -3.509 -18.818 1.00 19.69 C ATOM 0 H MET A 91 -1.359 -9.660 -20.408 1.00 16.05 H new ATOM 0 HA MET A 91 -2.427 -8.005 -21.413 1.00 16.74 H new ATOM 0 HB2 MET A 91 -1.192 -6.751 -19.374 1.00 17.46 H new ATOM 0 HB3 MET A 91 -0.394 -5.925 -20.698 1.00 17.46 H new ATOM 0 HG2 MET A 91 -2.975 -5.879 -21.596 1.00 17.58 H new ATOM 0 HG3 MET A 91 -3.261 -5.876 -19.867 1.00 17.58 H new ATOM 0 HE1 MET A 91 -2.203 -2.445 -18.631 1.00 19.69 H new ATOM 0 HE2 MET A 91 -3.321 -3.816 -18.436 1.00 19.69 H new ATOM 0 HE3 MET A 91 -1.564 -4.075 -18.313 1.00 19.69 H new ATOM 1459 N GLU A 92 -1.363 -6.702 -23.496 1.00 18.33 N ATOM 1460 CA GLU A 92 -0.801 -6.359 -24.791 1.00 19.61 C ATOM 1461 C GLU A 92 -1.276 -4.950 -25.157 1.00 20.43 C ATOM 1462 O GLU A 92 -2.169 -4.407 -24.501 1.00 20.04 O ATOM 1463 CB GLU A 92 -1.232 -7.412 -25.826 1.00 19.36 C ATOM 1464 CG GLU A 92 -0.202 -7.558 -26.959 1.00 20.54 C ATOM 1465 CD GLU A 92 0.259 -9.010 -27.155 1.00 21.01 C ATOM 1466 OE1 GLU A 92 -0.615 -9.906 -27.144 1.00 20.55 O ATOM 1467 OE2 GLU A 92 1.483 -9.201 -27.328 1.00 22.01 O ATOM 0 H GLU A 92 -2.233 -6.218 -23.276 1.00 18.33 H new ATOM 0 HA GLU A 92 0.289 -6.358 -24.768 1.00 19.61 H new ATOM 0 HB2 GLU A 92 -1.366 -8.374 -25.331 1.00 19.36 H new ATOM 0 HB3 GLU A 92 -2.198 -7.133 -26.247 1.00 19.36 H new ATOM 0 HG2 GLU A 92 -0.636 -7.190 -27.889 1.00 20.54 H new ATOM 0 HG3 GLU A 92 0.663 -6.932 -26.741 1.00 20.54 H new ATOM 1474 N THR A 93 -0.701 -4.351 -26.199 1.00 21.72 N ATOM 1475 CA THR A 93 -1.059 -3.015 -26.652 1.00 22.69 C ATOM 1476 C THR A 93 -1.092 -3.024 -28.181 1.00 23.40 C ATOM 1477 O THR A 93 -0.561 -3.941 -28.806 1.00 23.52 O ATOM 1478 CB THR A 93 -0.054 -2.009 -26.062 1.00 23.75 C ATOM 1479 OG1 THR A 93 -0.133 -2.053 -24.650 1.00 23.90 O ATOM 1480 CG2 THR A 93 -0.287 -0.554 -26.476 1.00 24.54 C ATOM 0 H THR A 93 0.034 -4.787 -26.756 1.00 21.72 H new ATOM 0 HA THR A 93 -2.047 -2.710 -26.308 1.00 22.69 H new ATOM 0 HB THR A 93 0.919 -2.310 -26.451 1.00 23.75 H new ATOM 0 HG1 THR A 93 0.505 -1.416 -24.267 1.00 23.90 H new ATOM 0 HG21 THR A 93 0.468 0.081 -26.013 1.00 24.54 H new ATOM 0 HG22 THR A 93 -0.218 -0.469 -27.560 1.00 24.54 H new ATOM 0 HG23 THR A 93 -1.278 -0.237 -26.150 1.00 24.54 H new ATOM 1488 N LEU A 94 -1.781 -2.037 -28.755 1.00 23.99 N ATOM 1489 CA LEU A 94 -1.906 -1.847 -30.193 1.00 24.82 C ATOM 1490 C LEU A 94 -0.628 -1.232 -30.765 1.00 25.82 C ATOM 1491 O LEU A 94 -0.608 -1.039 -31.999 1.00 26.30 O ATOM 1492 CB LEU A 94 -3.094 -0.915 -30.458 1.00 25.22 C ATOM 1493 CG LEU A 94 -3.724 -1.145 -31.843 1.00 25.78 C ATOM 1494 CD1 LEU A 94 -5.083 -1.842 -31.696 1.00 25.26 C ATOM 1495 CD2 LEU A 94 -3.889 0.194 -32.567 1.00 26.57 C ATOM 1496 OXT LEU A 94 0.263 -0.892 -29.957 1.00 26.26 O ATOM 0 H LEU A 94 -2.280 -1.331 -28.214 1.00 23.99 H new ATOM 0 HA LEU A 94 -2.067 -2.811 -30.676 1.00 24.82 H new ATOM 0 HB2 LEU A 94 -3.850 -1.068 -29.688 1.00 25.22 H new ATOM 0 HB3 LEU A 94 -2.764 0.121 -30.380 1.00 25.22 H new ATOM 0 HG LEU A 94 -3.067 -1.786 -32.431 1.00 25.78 H new ATOM 0 HD11 LEU A 94 -5.520 -2.000 -32.682 1.00 25.26 H new ATOM 0 HD12 LEU A 94 -4.947 -2.804 -31.201 1.00 25.26 H new ATOM 0 HD13 LEU A 94 -5.749 -1.218 -31.100 1.00 25.26 H new ATOM 0 HD21 LEU A 94 -4.335 0.025 -33.547 1.00 26.57 H new ATOM 0 HD22 LEU A 94 -4.536 0.847 -31.981 1.00 26.57 H new ATOM 0 HD23 LEU A 94 -2.913 0.664 -32.689 1.00 26.57 H new TER 1508 LEU A 94 HETATM 1509 FE HEM A 95 8.188 -0.615 5.952 1.00 0.40 FE HETATM 1510 CHA HEM A 95 10.891 -0.707 8.068 1.00 0.57 C HETATM 1511 CHB HEM A 95 6.036 -0.557 8.669 1.00 0.46 C HETATM 1512 CHC HEM A 95 5.492 -0.818 3.786 1.00 0.37 C HETATM 1513 CHD HEM A 95 10.319 -0.380 3.183 1.00 0.40 C HETATM 1514 NA HEM A 95 8.415 -0.664 8.004 1.00 0.49 N HETATM 1515 C1A HEM A 95 9.615 -0.759 8.631 1.00 0.56 C HETATM 1516 C2A HEM A 95 9.359 -0.925 10.043 1.00 0.62 C HETATM 1517 C3A HEM A 95 8.000 -0.775 10.232 1.00 0.58 C HETATM 1518 C4A HEM A 95 7.405 -0.642 8.919 1.00 0.50 C HETATM 1519 CMA HEM A 95 7.262 -0.779 11.555 1.00 0.61 C HETATM 1520 CAA HEM A 95 10.424 -1.184 11.090 1.00 0.68 C HETATM 1521 CBA HEM A 95 11.239 0.069 11.418 1.00 1.88 C HETATM 1522 CGA HEM A 95 12.679 -0.232 11.813 1.00 2.30 C HETATM 1523 O1A HEM A 95 13.516 -0.304 10.887 1.00 2.95 O HETATM 1524 O2A HEM A 95 12.918 -0.367 13.032 1.00 3.00 O HETATM 1525 NB HEM A 95 6.162 -0.660 6.178 1.00 0.38 N HETATM 1526 C1B HEM A 95 5.501 -0.617 7.379 1.00 0.41 C HETATM 1527 C2B HEM A 95 4.088 -0.698 7.101 1.00 0.42 C HETATM 1528 C3B HEM A 95 3.953 -0.733 5.735 1.00 0.37 C HETATM 1529 C4B HEM A 95 5.263 -0.743 5.149 1.00 0.37 C HETATM 1530 CMB HEM A 95 3.026 -0.779 8.151 1.00 0.52 C HETATM 1531 CAB HEM A 95 2.672 -0.869 4.935 1.00 0.41 C HETATM 1532 CBB HEM A 95 1.518 -0.301 5.315 1.00 1.59 C HETATM 1533 NC HEM A 95 7.943 -0.602 3.856 1.00 0.37 N HETATM 1534 C1C HEM A 95 6.746 -0.732 3.222 1.00 0.36 C HETATM 1535 C2C HEM A 95 6.983 -0.792 1.802 1.00 0.37 C HETATM 1536 C3C HEM A 95 8.330 -0.559 1.634 1.00 0.37 C HETATM 1537 C4C HEM A 95 8.952 -0.510 2.936 1.00 0.38 C HETATM 1538 CMC HEM A 95 5.940 -1.130 0.766 1.00 0.43 C HETATM 1539 CAC HEM A 95 9.072 -0.421 0.316 1.00 0.38 C HETATM 1540 CBC HEM A 95 8.600 0.288 -0.735 1.00 0.63 C HETATM 1541 ND HEM A 95 10.235 -0.517 5.680 1.00 0.44 N HETATM 1542 C1D HEM A 95 10.871 -0.388 4.474 1.00 0.42 C HETATM 1543 C2D HEM A 95 12.275 -0.227 4.753 1.00 0.47 C HETATM 1544 C3D HEM A 95 12.444 -0.300 6.120 1.00 0.51 C HETATM 1545 C4D HEM A 95 11.139 -0.526 6.702 1.00 0.50 C HETATM 1546 CMD HEM A 95 13.348 0.046 3.727 1.00 0.51 C HETATM 1547 CAD HEM A 95 13.760 -0.175 6.862 1.00 0.60 C HETATM 1548 CBD HEM A 95 14.552 1.110 6.577 1.00 1.91 C HETATM 1549 CGD HEM A 95 16.022 0.819 6.293 1.00 2.50 C HETATM 1550 O1D HEM A 95 16.358 0.689 5.096 1.00 3.61 O HETATM 1551 O2D HEM A 95 16.785 0.730 7.278 1.00 3.01 O HETATM 0 HMA1 HEM A 95 7.807 -1.390 12.274 1.00 0.61 H new HETATM 0 HMA2 HEM A 95 6.263 -1.191 11.413 1.00 0.61 H new HETATM 0 HMA3 HEM A 95 7.184 0.241 11.931 1.00 0.61 H new HETATM 0 HMB1 HEM A 95 3.423 -1.284 9.032 1.00 0.52 H new HETATM 0 HMB2 HEM A 95 2.174 -1.339 7.765 1.00 0.52 H new HETATM 0 HMB3 HEM A 95 2.706 0.227 8.423 1.00 0.52 H new HETATM 0 HMC1 HEM A 95 6.176 -0.620 -0.168 1.00 0.43 H new HETATM 0 HMC2 HEM A 95 4.960 -0.808 1.118 1.00 0.43 H new HETATM 0 HMC3 HEM A 95 5.929 -2.207 0.598 1.00 0.43 H new HETATM 0 HMD1 HEM A 95 13.063 -0.401 2.775 1.00 0.51 H new HETATM 0 HMD2 HEM A 95 14.291 -0.386 4.063 1.00 0.51 H new HETATM 0 HMD3 HEM A 95 13.467 1.122 3.602 1.00 0.51 H new HETATM 0 HBB1 HEM A 95 0.622 -0.427 4.707 1.00 1.59 H new HETATM 0 HBB2 HEM A 95 1.476 0.286 6.232 1.00 1.59 H new HETATM 0 HBC1 HEM A 95 9.180 0.349 -1.656 1.00 0.63 H new HETATM 0 HBC2 HEM A 95 7.639 0.798 -0.661 1.00 0.63 H new HETATM 0 HBA1 HEM A 95 10.752 0.608 12.231 1.00 1.88 H new HETATM 0 HBA2 HEM A 95 11.238 0.731 10.552 1.00 1.88 H new HETATM 0 HAA1 HEM A 95 11.094 -1.967 10.736 1.00 0.68 H new HETATM 0 HAA2 HEM A 95 9.952 -1.555 12.000 1.00 0.68 H new HETATM 0 HBD1 HEM A 95 14.473 1.782 7.431 1.00 1.91 H new HETATM 0 HBD2 HEM A 95 14.112 1.626 5.723 1.00 1.91 H new HETATM 0 HAD1 HEM A 95 14.385 -1.032 6.608 1.00 0.60 H new HETATM 0 HAD2 HEM A 95 13.562 -0.231 7.932 1.00 0.60 H new HETATM 0 HHA HEM A 95 11.740 -0.813 8.727 1.00 0.57 H new HETATM 0 HHB HEM A 95 5.362 -0.440 9.505 1.00 0.46 H new HETATM 0 HHC HEM A 95 4.644 -0.951 3.131 1.00 0.37 H new HETATM 0 HHD HEM A 95 10.985 -0.268 2.340 1.00 0.40 H new HETATM 0 HAB HEM A 95 2.690 -1.452 4.014 1.00 0.41 H new HETATM 0 HAC HEM A 95 10.036 -0.920 0.211 1.00 0.38 H new