USER MOD reduce.3.24.130724 H: found=0, std=0, add=653, rem=0, adj=42 USER MOD reduce.3.24.130724 removed 640 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 58 HIS :FLIP no HE2:sc= -0.279 F(o=-6.4!,f=-0.34) USER MOD Set 1.2: A 70 SER OG : rot -68:sc= -0.0587 USER MOD Set 2.1: A 60 CYS SG : rot 144:sc= -0.0802! USER MOD Set 2.2: A 63 CYS SG : rot -52:sc= 0.238 USER MOD Set 2.3: A 76 HIS : no HE2:sc= -2.95 K(o=-7,f=-9.9!) USER MOD Set 2.4: A 80 HIS : no HE2:sc= -4.25! C(o=-7!,f=-9.2!) USER MOD Set 3.1: A 47 LYS NZ :NH3+ 147:sc= 0 (180deg=-0.102) USER MOD Set 3.2: A 69 GLN : amide:sc= -0.012 K(o=-0.012,f=-1.4) USER MOD Set 4.1: A 32 CYS SG : rot 132:sc= -1.37! USER MOD Set 4.2: A 35 CYS SG : rot -28:sc= 0.387 USER MOD Set 4.3: A 48 HIS : no HE2:sc= -2.64 K(o=-5.2,f=-9.2!) USER MOD Set 4.4: A 52 HIS : no HE2:sc= -1.6 K(o=-5.2,f=-7.3!) USER MOD Set 5.1: A 15 SER OG : rot 170:sc= -0.365 USER MOD Set 5.2: A 16 THR OG1 : rot 88:sc= -1.23 USER MOD Set 6.1: A 4 CYS SG : rot 153:sc= 1.05 USER MOD Set 6.2: A 7 CYS SG : rot -42:sc= -0.212 USER MOD Set 6.3: A 20 HIS : no HE2:sc= -4.86! C(o=-6.6!,f=-9!) USER MOD Set 6.4: A 24 HIS : no HE2:sc= -2.59 X(o=-6.6,f=-6.8) USER MOD Single : A 5 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.302) USER MOD Single : A 9 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0171) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 SER OG : rot 180:sc= -0.0189 USER MOD Single : A 18 SER OG : rot -69:sc= -0.533! USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 180:sc= -0.0301 USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 GLN :FLIP amide:sc= -4.08! C(o=-7.6!,f=-4.1!) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 HIS : no HD1:sc= -3.96! C(o=-4!,f=-10!) USER MOD Single : A 41 GLN : amide:sc= -1.88 K(o=-1.9,f=-4!) USER MOD Single : A 42 LYS NZ :NH3+ -160:sc= -0.0598 (180deg=-0.874) USER MOD Single : A 43 SER OG : rot 180:sc= 0.018 USER MOD Single : A 45 MET CE :methyl -143:sc= -0.226 (180deg=-1.11) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 THR OG1 : rot -29:sc= -1.6 USER MOD Single : A 53 THR OG1 : rot -158:sc= -2.79! USER MOD Single : A 56 LYS NZ :NH3+ -162:sc= -0.0299 (180deg=-0.354) USER MOD Single : A 59 LYS NZ :NH3+ 160:sc= -0.0693 (180deg=-0.566) USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 LYS NZ :NH3+ -161:sc= -0.0397 (180deg=-0.683) USER MOD Single : A 68 SER OG : rot -48:sc= 0.206 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 72 ASN : amide:sc= -0.7 K(o=-0.7,f=-4.8!) USER MOD Single : A 75 THR OG1 : rot 81:sc= 0.657 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ 157:sc= -3.87! (180deg=-4.13!) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 14 N PHE A 2 -11.759 -6.666 37.248 1.00 0.89 N ATOM 15 CA PHE A 2 -12.695 -5.506 37.175 1.00 0.78 C ATOM 16 C PHE A 2 -13.522 -5.626 35.907 1.00 0.63 C ATOM 17 O PHE A 2 -12.997 -5.805 34.827 1.00 0.61 O ATOM 18 CB PHE A 2 -11.898 -4.205 37.153 1.00 0.78 C ATOM 19 CG PHE A 2 -10.749 -4.321 38.112 1.00 0.91 C ATOM 20 CD1 PHE A 2 -9.542 -4.883 37.692 1.00 1.04 C ATOM 21 CD2 PHE A 2 -10.899 -3.888 39.428 1.00 0.94 C ATOM 22 CE1 PHE A 2 -8.483 -5.013 38.590 1.00 1.17 C ATOM 23 CE2 PHE A 2 -9.838 -4.012 40.330 1.00 1.08 C ATOM 24 CZ PHE A 2 -8.629 -4.576 39.911 1.00 1.18 C ATOM 0 HA PHE A 2 -13.352 -5.502 38.045 1.00 0.78 H new ATOM 0 HB2 PHE A 2 -11.530 -4.006 36.147 1.00 0.78 H new ATOM 0 HB3 PHE A 2 -12.537 -3.367 37.431 1.00 0.78 H new ATOM 0 HD1 PHE A 2 -9.428 -5.217 36.671 1.00 1.04 H new ATOM 0 HD2 PHE A 2 -11.835 -3.457 39.751 1.00 0.94 H new ATOM 0 HE1 PHE A 2 -7.550 -5.451 38.266 1.00 1.17 H new ATOM 0 HE2 PHE A 2 -9.952 -3.673 41.349 1.00 1.08 H new ATOM 0 HZ PHE A 2 -7.809 -4.674 40.607 1.00 1.18 H new ATOM 34 N ASP A 3 -14.820 -5.540 36.023 1.00 0.58 N ATOM 35 CA ASP A 3 -15.662 -5.669 34.808 1.00 0.46 C ATOM 36 C ASP A 3 -16.263 -4.325 34.420 1.00 0.40 C ATOM 37 O ASP A 3 -16.769 -3.570 35.230 1.00 0.50 O ATOM 38 CB ASP A 3 -16.768 -6.693 35.025 1.00 0.55 C ATOM 39 CG ASP A 3 -17.516 -6.894 33.706 1.00 0.74 C ATOM 40 OD1 ASP A 3 -17.361 -6.062 32.824 1.00 1.38 O ATOM 41 OD2 ASP A 3 -18.226 -7.878 33.592 1.00 1.01 O ATOM 0 H ASP A 3 -15.325 -5.388 36.896 1.00 0.58 H new ATOM 0 HA ASP A 3 -15.024 -6.012 33.994 1.00 0.46 H new ATOM 0 HB2 ASP A 3 -16.346 -7.638 35.368 1.00 0.55 H new ATOM 0 HB3 ASP A 3 -17.454 -6.350 35.800 1.00 0.55 H new ATOM 46 N CYS A 4 -16.221 -4.063 33.160 1.00 0.31 N ATOM 47 CA CYS A 4 -16.787 -2.801 32.620 1.00 0.34 C ATOM 48 C CYS A 4 -18.315 -2.828 32.758 1.00 0.44 C ATOM 49 O CYS A 4 -18.974 -3.752 32.333 1.00 0.46 O ATOM 50 CB CYS A 4 -16.398 -2.667 31.156 1.00 0.36 C ATOM 51 SG CYS A 4 -17.504 -1.504 30.334 1.00 0.50 S ATOM 0 H CYS A 4 -15.810 -4.680 32.459 1.00 0.31 H new ATOM 0 HA CYS A 4 -16.395 -1.949 33.176 1.00 0.34 H new ATOM 0 HB2 CYS A 4 -15.367 -2.322 31.074 1.00 0.36 H new ATOM 0 HB3 CYS A 4 -16.449 -3.639 30.666 1.00 0.36 H new ATOM 0 HG CYS A 4 -16.887 -0.953 29.332 1.00 0.50 H new ATOM 56 N LYS A 5 -18.874 -1.819 33.366 1.00 0.55 N ATOM 57 CA LYS A 5 -20.351 -1.780 33.561 1.00 0.68 C ATOM 58 C LYS A 5 -20.995 -1.031 32.395 1.00 0.74 C ATOM 59 O LYS A 5 -22.048 -0.440 32.529 1.00 0.85 O ATOM 60 CB LYS A 5 -20.691 -1.050 34.872 1.00 0.83 C ATOM 61 CG LYS A 5 -19.747 -1.503 35.998 1.00 0.83 C ATOM 62 CD LYS A 5 -18.609 -0.488 36.160 1.00 1.01 C ATOM 63 CE LYS A 5 -17.618 -0.993 37.213 1.00 1.16 C ATOM 64 NZ LYS A 5 -16.393 -0.145 37.185 1.00 1.53 N ATOM 0 H LYS A 5 -18.369 -1.015 33.738 1.00 0.55 H new ATOM 0 HA LYS A 5 -20.730 -2.801 33.606 1.00 0.68 H new ATOM 0 HB2 LYS A 5 -20.606 0.027 34.729 1.00 0.83 H new ATOM 0 HB3 LYS A 5 -21.725 -1.253 35.151 1.00 0.83 H new ATOM 0 HG2 LYS A 5 -20.299 -1.596 36.933 1.00 0.83 H new ATOM 0 HG3 LYS A 5 -19.339 -2.488 35.769 1.00 0.83 H new ATOM 0 HD2 LYS A 5 -18.100 -0.342 35.207 1.00 1.01 H new ATOM 0 HD3 LYS A 5 -19.011 0.480 36.459 1.00 1.01 H new ATOM 0 HE2 LYS A 5 -18.074 -0.961 38.203 1.00 1.16 H new ATOM 0 HE3 LYS A 5 -17.359 -2.033 37.015 1.00 1.16 H new ATOM 0 HZ1 LYS A 5 -15.633 -0.615 37.717 1.00 1.53 H new ATOM 0 HZ2 LYS A 5 -16.090 -0.005 36.200 1.00 1.53 H new ATOM 0 HZ3 LYS A 5 -16.599 0.778 37.618 1.00 1.53 H new ATOM 78 N ILE A 6 -20.361 -1.036 31.259 1.00 0.70 N ATOM 79 CA ILE A 6 -20.924 -0.306 30.084 1.00 0.81 C ATOM 80 C ILE A 6 -21.068 -1.232 28.872 1.00 0.81 C ATOM 81 O ILE A 6 -22.167 -1.588 28.493 1.00 0.91 O ATOM 82 CB ILE A 6 -20.005 0.868 29.757 1.00 0.81 C ATOM 83 CG1 ILE A 6 -19.891 1.749 31.007 1.00 0.81 C ATOM 84 CG2 ILE A 6 -20.610 1.679 28.607 1.00 0.99 C ATOM 85 CD1 ILE A 6 -18.848 2.848 30.788 1.00 1.05 C ATOM 0 H ILE A 6 -19.476 -1.514 31.089 1.00 0.70 H new ATOM 0 HA ILE A 6 -21.921 0.059 30.330 1.00 0.81 H new ATOM 0 HB ILE A 6 -19.019 0.510 29.459 1.00 0.81 H new ATOM 0 HG12 ILE A 6 -20.859 2.196 31.235 1.00 0.81 H new ATOM 0 HG13 ILE A 6 -19.612 1.139 31.866 1.00 0.81 H new ATOM 0 HG21 ILE A 6 -19.956 2.519 28.371 1.00 0.99 H new ATOM 0 HG22 ILE A 6 -20.715 1.042 27.729 1.00 0.99 H new ATOM 0 HG23 ILE A 6 -21.590 2.054 28.902 1.00 0.99 H new ATOM 0 HD11 ILE A 6 -18.777 3.466 31.683 1.00 1.05 H new ATOM 0 HD12 ILE A 6 -17.879 2.394 30.583 1.00 1.05 H new ATOM 0 HD13 ILE A 6 -19.145 3.468 29.942 1.00 1.05 H new ATOM 97 N CYS A 7 -19.988 -1.618 28.244 1.00 0.72 N ATOM 98 CA CYS A 7 -20.122 -2.508 27.041 1.00 0.76 C ATOM 99 C CYS A 7 -20.178 -3.985 27.456 1.00 0.68 C ATOM 100 O CYS A 7 -21.019 -4.727 26.992 1.00 0.83 O ATOM 101 CB CYS A 7 -18.964 -2.271 26.062 1.00 0.79 C ATOM 102 SG CYS A 7 -17.402 -2.789 26.798 1.00 0.66 S ATOM 0 H CYS A 7 -19.034 -1.364 28.501 1.00 0.72 H new ATOM 0 HA CYS A 7 -21.057 -2.259 26.539 1.00 0.76 H new ATOM 0 HB2 CYS A 7 -19.140 -2.825 25.140 1.00 0.79 H new ATOM 0 HB3 CYS A 7 -18.915 -1.215 25.795 1.00 0.79 H new ATOM 0 HG CYS A 7 -17.357 -2.402 28.038 1.00 0.66 H new ATOM 107 N GLY A 8 -19.316 -4.411 28.336 1.00 0.54 N ATOM 108 CA GLY A 8 -19.347 -5.836 28.802 1.00 0.48 C ATOM 109 C GLY A 8 -17.986 -6.531 28.641 1.00 0.40 C ATOM 110 O GLY A 8 -17.918 -7.662 28.203 1.00 0.46 O ATOM 0 H GLY A 8 -18.587 -3.836 28.757 1.00 0.54 H new ATOM 0 HA2 GLY A 8 -19.647 -5.867 29.849 1.00 0.48 H new ATOM 0 HA3 GLY A 8 -20.102 -6.384 28.238 1.00 0.48 H new ATOM 114 N LYS A 9 -16.911 -5.892 29.025 1.00 0.46 N ATOM 115 CA LYS A 9 -15.567 -6.554 28.922 1.00 0.46 C ATOM 116 C LYS A 9 -14.869 -6.479 30.288 1.00 0.40 C ATOM 117 O LYS A 9 -15.198 -5.651 31.114 1.00 0.36 O ATOM 118 CB LYS A 9 -14.717 -5.878 27.851 1.00 0.55 C ATOM 119 CG LYS A 9 -13.430 -6.687 27.645 1.00 0.69 C ATOM 120 CD LYS A 9 -12.604 -6.063 26.511 1.00 0.75 C ATOM 121 CE LYS A 9 -13.029 -6.662 25.168 1.00 1.00 C ATOM 122 NZ LYS A 9 -12.385 -7.994 24.991 1.00 1.25 N ATOM 0 H LYS A 9 -16.901 -4.945 29.404 1.00 0.46 H new ATOM 0 HA LYS A 9 -15.698 -7.598 28.636 1.00 0.46 H new ATOM 0 HB2 LYS A 9 -15.273 -5.812 26.916 1.00 0.55 H new ATOM 0 HB3 LYS A 9 -14.476 -4.858 28.151 1.00 0.55 H new ATOM 0 HG2 LYS A 9 -12.847 -6.703 28.566 1.00 0.69 H new ATOM 0 HG3 LYS A 9 -13.674 -7.722 27.404 1.00 0.69 H new ATOM 0 HD2 LYS A 9 -12.745 -4.982 26.498 1.00 0.75 H new ATOM 0 HD3 LYS A 9 -11.542 -6.244 26.680 1.00 0.75 H new ATOM 0 HE2 LYS A 9 -14.114 -6.763 25.130 1.00 1.00 H new ATOM 0 HE3 LYS A 9 -12.742 -5.996 24.354 1.00 1.00 H new ATOM 0 HZ1 LYS A 9 -12.563 -8.340 24.027 1.00 1.25 H new ATOM 0 HZ2 LYS A 9 -11.360 -7.907 25.144 1.00 1.25 H new ATOM 0 HZ3 LYS A 9 -12.782 -8.666 25.679 1.00 1.25 H new ATOM 136 N SER A 10 -13.940 -7.374 30.566 1.00 0.48 N ATOM 137 CA SER A 10 -13.288 -7.371 31.920 1.00 0.53 C ATOM 138 C SER A 10 -11.795 -6.994 31.857 1.00 0.62 C ATOM 139 O SER A 10 -11.173 -6.991 30.816 1.00 0.69 O ATOM 140 CB SER A 10 -13.449 -8.752 32.554 0.50 0.64 C ATOM 141 OG SER A 10 -14.816 -8.950 32.897 1.00 0.86 O ATOM 0 H SER A 10 -13.611 -8.095 29.924 1.00 0.48 H new ATOM 0 HA SER A 10 -13.782 -6.611 32.526 1.00 0.53 H new ATOM 0 HB2 SER A 10 -13.120 -9.525 31.860 0.50 0.64 H new ATOM 0 HB3 SER A 10 -12.823 -8.833 33.442 0.50 0.64 H new ATOM 0 HG SER A 10 -14.927 -9.835 33.303 1.00 0.86 H new ATOM 147 N PHE A 11 -11.239 -6.675 33.010 1.00 0.65 N ATOM 148 CA PHE A 11 -9.792 -6.281 33.079 1.00 0.75 C ATOM 149 C PHE A 11 -9.139 -6.838 34.346 1.00 0.89 C ATOM 150 O PHE A 11 -9.591 -6.611 35.447 1.00 0.93 O ATOM 151 CB PHE A 11 -9.702 -4.750 33.056 1.00 0.65 C ATOM 152 CG PHE A 11 -10.478 -4.271 31.859 1.00 0.53 C ATOM 153 CD1 PHE A 11 -11.859 -4.077 31.960 1.00 0.44 C ATOM 154 CD2 PHE A 11 -9.832 -4.089 30.633 1.00 0.57 C ATOM 155 CE1 PHE A 11 -12.591 -3.696 30.838 1.00 0.38 C ATOM 156 CE2 PHE A 11 -10.570 -3.722 29.505 1.00 0.53 C ATOM 157 CZ PHE A 11 -11.951 -3.525 29.609 1.00 0.45 C ATOM 0 H PHE A 11 -11.728 -6.671 33.905 1.00 0.65 H new ATOM 0 HA PHE A 11 -9.258 -6.696 32.224 1.00 0.75 H new ATOM 0 HB2 PHE A 11 -10.112 -4.328 33.973 1.00 0.65 H new ATOM 0 HB3 PHE A 11 -8.663 -4.428 32.994 1.00 0.65 H new ATOM 0 HD1 PHE A 11 -12.358 -4.222 32.907 1.00 0.44 H new ATOM 0 HD2 PHE A 11 -8.764 -4.232 30.558 1.00 0.57 H new ATOM 0 HE1 PHE A 11 -13.655 -3.533 30.919 1.00 0.38 H new ATOM 0 HE2 PHE A 11 -10.075 -3.591 28.554 1.00 0.53 H new ATOM 0 HZ PHE A 11 -12.523 -3.240 28.738 1.00 0.45 H new ATOM 167 N LYS A 12 -8.067 -7.572 34.177 1.00 1.03 N ATOM 168 CA LYS A 12 -7.356 -8.153 35.351 1.00 1.19 C ATOM 169 C LYS A 12 -6.839 -7.016 36.223 1.00 1.19 C ATOM 170 O LYS A 12 -6.612 -7.179 37.406 1.00 1.28 O ATOM 171 CB LYS A 12 -6.146 -8.982 34.894 1.00 1.35 C ATOM 172 CG LYS A 12 -6.523 -9.891 33.720 1.00 1.53 C ATOM 173 CD LYS A 12 -7.713 -10.774 34.106 1.00 1.70 C ATOM 174 CE LYS A 12 -7.893 -11.875 33.057 1.00 1.86 C ATOM 175 NZ LYS A 12 -9.079 -12.709 33.411 1.00 1.99 N ATOM 0 H LYS A 12 -7.654 -7.793 33.271 1.00 1.03 H new ATOM 0 HA LYS A 12 -8.050 -8.790 35.899 1.00 1.19 H new ATOM 0 HB2 LYS A 12 -5.334 -8.317 34.599 1.00 1.35 H new ATOM 0 HB3 LYS A 12 -5.778 -9.585 35.724 1.00 1.35 H new ATOM 0 HG2 LYS A 12 -6.774 -9.288 32.848 1.00 1.53 H new ATOM 0 HG3 LYS A 12 -5.672 -10.513 33.443 1.00 1.53 H new ATOM 0 HD2 LYS A 12 -7.548 -11.216 35.088 1.00 1.70 H new ATOM 0 HD3 LYS A 12 -8.619 -10.172 34.176 1.00 1.70 H new ATOM 0 HE2 LYS A 12 -8.027 -11.433 32.070 1.00 1.86 H new ATOM 0 HE3 LYS A 12 -6.999 -12.497 33.009 1.00 1.86 H new ATOM 0 HZ1 LYS A 12 -9.202 -13.457 32.699 1.00 1.99 H new ATOM 0 HZ2 LYS A 12 -8.933 -13.141 34.346 1.00 1.99 H new ATOM 0 HZ3 LYS A 12 -9.929 -12.111 33.435 1.00 1.99 H new ATOM 189 N ARG A 13 -6.634 -5.860 35.632 1.00 1.10 N ATOM 190 CA ARG A 13 -6.109 -4.694 36.405 1.00 1.10 C ATOM 191 C ARG A 13 -7.124 -3.556 36.347 1.00 0.94 C ATOM 192 O ARG A 13 -7.715 -3.283 35.318 1.00 0.85 O ATOM 193 CB ARG A 13 -4.771 -4.235 35.805 1.00 1.14 C ATOM 194 CG ARG A 13 -3.617 -4.698 36.707 1.00 1.57 C ATOM 195 CD ARG A 13 -3.441 -3.712 37.866 1.00 1.57 C ATOM 196 NE ARG A 13 -2.646 -2.541 37.399 1.00 1.73 N ATOM 197 CZ ARG A 13 -2.790 -1.373 37.971 1.00 2.36 C ATOM 198 NH1 ARG A 13 -3.619 -1.227 38.967 1.00 2.89 N ATOM 199 NH2 ARG A 13 -2.099 -0.350 37.546 1.00 2.56 N ATOM 0 H ARG A 13 -6.809 -5.677 34.644 1.00 1.10 H new ATOM 0 HA ARG A 13 -5.949 -4.984 37.443 1.00 1.10 H new ATOM 0 HB2 ARG A 13 -4.650 -4.646 34.803 1.00 1.14 H new ATOM 0 HB3 ARG A 13 -4.757 -3.149 35.708 1.00 1.14 H new ATOM 0 HG2 ARG A 13 -3.823 -5.696 37.094 1.00 1.57 H new ATOM 0 HG3 ARG A 13 -2.695 -4.764 36.129 1.00 1.57 H new ATOM 0 HD2 ARG A 13 -4.414 -3.383 38.230 1.00 1.57 H new ATOM 0 HD3 ARG A 13 -2.936 -4.200 38.700 1.00 1.57 H new ATOM 0 HE ARG A 13 -1.986 -2.651 36.629 1.00 1.73 H new ATOM 0 HH11 ARG A 13 -4.158 -2.025 39.303 1.00 2.89 H new ATOM 0 HH12 ARG A 13 -3.728 -0.315 39.410 1.00 2.89 H new ATOM 0 HH21 ARG A 13 -1.448 -0.462 36.769 1.00 2.56 H new ATOM 0 HH22 ARG A 13 -2.210 0.561 37.991 1.00 2.56 H new ATOM 213 N SER A 14 -7.339 -2.888 37.443 1.00 0.95 N ATOM 214 CA SER A 14 -8.323 -1.777 37.427 1.00 0.84 C ATOM 215 C SER A 14 -7.814 -0.682 36.496 1.00 0.75 C ATOM 216 O SER A 14 -8.572 -0.077 35.773 1.00 0.64 O ATOM 217 CB SER A 14 -8.509 -1.222 38.839 1.00 0.92 C ATOM 218 OG SER A 14 -7.731 -0.043 38.984 1.00 1.09 O ATOM 0 H SER A 14 -6.882 -3.061 38.338 1.00 0.95 H new ATOM 0 HA SER A 14 -9.286 -2.143 37.071 1.00 0.84 H new ATOM 0 HB2 SER A 14 -9.561 -1.002 39.021 1.00 0.92 H new ATOM 0 HB3 SER A 14 -8.206 -1.965 39.577 1.00 0.92 H new ATOM 0 HG SER A 14 -7.849 0.317 39.888 1.00 1.09 H new ATOM 224 N SER A 15 -6.530 -0.439 36.489 1.00 0.85 N ATOM 225 CA SER A 15 -5.984 0.600 35.579 1.00 0.80 C ATOM 226 C SER A 15 -6.411 0.248 34.162 1.00 0.74 C ATOM 227 O SER A 15 -6.939 1.066 33.437 1.00 0.71 O ATOM 228 CB SER A 15 -4.458 0.588 35.652 1.00 0.94 C ATOM 229 OG SER A 15 -3.991 -0.705 35.286 1.00 1.18 O ATOM 0 H SER A 15 -5.842 -0.914 37.072 1.00 0.85 H new ATOM 0 HA SER A 15 -6.352 1.586 35.864 1.00 0.80 H new ATOM 0 HB2 SER A 15 -4.042 1.342 34.984 1.00 0.94 H new ATOM 0 HB3 SER A 15 -4.127 0.838 36.660 1.00 0.94 H new ATOM 0 HG SER A 15 -3.018 -0.681 35.172 1.00 1.18 H new ATOM 235 N THR A 16 -6.212 -0.984 33.767 1.00 0.76 N ATOM 236 CA THR A 16 -6.623 -1.412 32.406 1.00 0.73 C ATOM 237 C THR A 16 -8.117 -1.128 32.262 1.00 0.59 C ATOM 238 O THR A 16 -8.587 -0.698 31.221 1.00 0.57 O ATOM 239 CB THR A 16 -6.348 -2.916 32.275 1.00 0.85 C ATOM 240 OG1 THR A 16 -6.040 -3.436 33.555 1.00 1.07 O ATOM 241 CG2 THR A 16 -5.175 -3.180 31.339 1.00 0.94 C ATOM 0 H THR A 16 -5.780 -1.712 34.336 1.00 0.76 H new ATOM 0 HA THR A 16 -6.073 -0.879 31.630 1.00 0.73 H new ATOM 0 HB THR A 16 -7.235 -3.398 31.863 1.00 0.85 H new ATOM 0 HG1 THR A 16 -6.867 -3.702 34.008 1.00 1.07 H new ATOM 0 HG21 THR A 16 -5.003 -4.254 31.265 1.00 0.94 H new ATOM 0 HG22 THR A 16 -5.401 -2.780 30.351 1.00 0.94 H new ATOM 0 HG23 THR A 16 -4.281 -2.695 31.731 1.00 0.94 H new ATOM 249 N LEU A 17 -8.868 -1.309 33.313 1.00 0.53 N ATOM 250 CA LEU A 17 -10.316 -0.991 33.221 1.00 0.42 C ATOM 251 C LEU A 17 -10.443 0.522 33.146 1.00 0.34 C ATOM 252 O LEU A 17 -11.314 1.042 32.503 1.00 0.32 O ATOM 253 CB LEU A 17 -11.069 -1.499 34.450 1.00 0.45 C ATOM 254 CG LEU A 17 -12.450 -0.827 34.551 1.00 0.40 C ATOM 255 CD1 LEU A 17 -13.294 -1.138 33.310 1.00 0.44 C ATOM 256 CD2 LEU A 17 -13.168 -1.361 35.781 1.00 0.63 C ATOM 0 H LEU A 17 -8.547 -1.657 34.216 1.00 0.53 H new ATOM 0 HA LEU A 17 -10.745 -1.474 32.343 1.00 0.42 H new ATOM 0 HB2 LEU A 17 -11.188 -2.581 34.390 1.00 0.45 H new ATOM 0 HB3 LEU A 17 -10.490 -1.292 35.350 1.00 0.45 H new ATOM 0 HG LEU A 17 -12.313 0.252 34.624 1.00 0.40 H new ATOM 0 HD11 LEU A 17 -14.266 -0.654 33.401 1.00 0.44 H new ATOM 0 HD12 LEU A 17 -12.785 -0.766 32.421 1.00 0.44 H new ATOM 0 HD13 LEU A 17 -13.432 -2.216 33.224 1.00 0.44 H new ATOM 0 HD21 LEU A 17 -14.148 -0.891 35.863 1.00 0.63 H new ATOM 0 HD22 LEU A 17 -13.289 -2.441 35.692 1.00 0.63 H new ATOM 0 HD23 LEU A 17 -12.582 -1.134 36.672 1.00 0.63 H new ATOM 268 N SER A 18 -9.585 1.239 33.822 1.00 0.37 N ATOM 269 CA SER A 18 -9.666 2.718 33.788 1.00 0.34 C ATOM 270 C SER A 18 -9.525 3.187 32.344 1.00 0.33 C ATOM 271 O SER A 18 -10.425 3.787 31.793 1.00 0.35 O ATOM 272 CB SER A 18 -8.534 3.299 34.639 0.50 0.43 C ATOM 273 OG SER A 18 -7.327 3.301 33.884 1.00 1.16 O ATOM 0 H SER A 18 -8.832 0.858 34.396 1.00 0.37 H new ATOM 0 HA SER A 18 -10.624 3.054 34.186 1.00 0.34 H new ATOM 0 HB2 SER A 18 -8.783 4.314 34.951 0.50 0.43 H new ATOM 0 HB3 SER A 18 -8.407 2.709 35.547 0.50 0.43 H new ATOM 0 HG SER A 18 -7.026 2.379 33.746 1.00 1.16 H new ATOM 279 N THR A 19 -8.418 2.893 31.711 1.00 0.40 N ATOM 280 CA THR A 19 -8.252 3.316 30.291 1.00 0.47 C ATOM 281 C THR A 19 -9.451 2.827 29.499 1.00 0.50 C ATOM 282 O THR A 19 -9.931 3.475 28.587 1.00 0.57 O ATOM 283 CB THR A 19 -6.982 2.703 29.708 1.00 0.59 C ATOM 284 OG1 THR A 19 -5.853 3.202 30.411 1.00 0.66 O ATOM 285 CG2 THR A 19 -6.881 3.080 28.229 1.00 0.74 C ATOM 0 H THR A 19 -7.630 2.384 32.112 1.00 0.40 H new ATOM 0 HA THR A 19 -8.178 4.402 30.239 1.00 0.47 H new ATOM 0 HB THR A 19 -7.013 1.618 29.806 1.00 0.59 H new ATOM 0 HG1 THR A 19 -5.036 2.808 30.039 1.00 0.66 H new ATOM 0 HG21 THR A 19 -5.976 2.646 27.804 1.00 0.74 H new ATOM 0 HG22 THR A 19 -7.752 2.698 27.696 1.00 0.74 H new ATOM 0 HG23 THR A 19 -6.843 4.165 28.132 1.00 0.74 H new ATOM 293 N HIS A 20 -9.962 1.696 29.855 1.00 0.48 N ATOM 294 CA HIS A 20 -11.145 1.180 29.139 1.00 0.52 C ATOM 295 C HIS A 20 -12.344 2.090 29.466 1.00 0.49 C ATOM 296 O HIS A 20 -13.104 2.533 28.599 1.00 0.59 O ATOM 297 CB HIS A 20 -11.402 -0.249 29.602 1.00 0.50 C ATOM 298 CG HIS A 20 -12.639 -0.743 28.947 1.00 0.51 C ATOM 299 ND1 HIS A 20 -12.621 -1.392 27.707 1.00 0.64 N ATOM 300 CD2 HIS A 20 -13.952 -0.605 29.288 1.00 0.45 C ATOM 301 CE1 HIS A 20 -13.901 -1.600 27.348 1.00 0.65 C ATOM 302 NE2 HIS A 20 -14.714 -1.138 28.283 1.00 0.55 N ATOM 0 H HIS A 20 -9.613 1.106 30.610 1.00 0.48 H new ATOM 0 HA HIS A 20 -10.988 1.177 28.060 1.00 0.52 H new ATOM 0 HB2 HIS A 20 -10.557 -0.888 29.345 1.00 0.50 H new ATOM 0 HB3 HIS A 20 -11.509 -0.282 30.686 1.00 0.50 H new ATOM 0 HD1 HIS A 20 -11.792 -1.658 27.175 1.00 0.64 H new ATOM 0 HD2 HIS A 20 -14.326 -0.153 30.195 1.00 0.45 H new ATOM 0 HE1 HIS A 20 -14.218 -2.075 26.431 1.00 0.65 H new ATOM 310 N LEU A 21 -12.506 2.409 30.720 1.00 0.40 N ATOM 311 CA LEU A 21 -13.619 3.298 31.106 1.00 0.46 C ATOM 312 C LEU A 21 -13.437 4.591 30.328 1.00 0.54 C ATOM 313 O LEU A 21 -14.377 5.208 29.868 1.00 0.65 O ATOM 314 CB LEU A 21 -13.563 3.569 32.617 1.00 0.43 C ATOM 315 CG LEU A 21 -14.131 2.358 33.375 1.00 0.42 C ATOM 316 CD1 LEU A 21 -13.876 2.519 34.878 1.00 0.48 C ATOM 317 CD2 LEU A 21 -15.644 2.246 33.122 1.00 0.57 C ATOM 0 H LEU A 21 -11.914 2.090 31.487 1.00 0.40 H new ATOM 0 HA LEU A 21 -14.586 2.847 30.883 1.00 0.46 H new ATOM 0 HB2 LEU A 21 -12.535 3.756 32.926 1.00 0.43 H new ATOM 0 HB3 LEU A 21 -14.136 4.464 32.858 1.00 0.43 H new ATOM 0 HG LEU A 21 -13.637 1.454 33.019 1.00 0.42 H new ATOM 0 HD11 LEU A 21 -14.281 1.658 35.410 1.00 0.48 H new ATOM 0 HD12 LEU A 21 -12.803 2.587 35.060 1.00 0.48 H new ATOM 0 HD13 LEU A 21 -14.362 3.427 35.234 1.00 0.48 H new ATOM 0 HD21 LEU A 21 -16.040 1.386 33.662 1.00 0.57 H new ATOM 0 HD22 LEU A 21 -16.139 3.153 33.470 1.00 0.57 H new ATOM 0 HD23 LEU A 21 -15.826 2.120 32.055 1.00 0.57 H new ATOM 329 N LEU A 22 -12.197 4.967 30.147 1.00 0.52 N ATOM 330 CA LEU A 22 -11.881 6.185 29.364 1.00 0.61 C ATOM 331 C LEU A 22 -12.365 5.978 27.932 1.00 0.73 C ATOM 332 O LEU A 22 -12.863 6.894 27.314 1.00 0.84 O ATOM 333 CB LEU A 22 -10.365 6.445 29.373 1.00 0.59 C ATOM 334 CG LEU A 22 -9.850 6.561 30.824 1.00 0.49 C ATOM 335 CD1 LEU A 22 -8.467 7.234 30.851 1.00 0.52 C ATOM 336 CD2 LEU A 22 -10.830 7.378 31.679 1.00 0.53 C ATOM 0 H LEU A 22 -11.385 4.472 30.515 1.00 0.52 H new ATOM 0 HA LEU A 22 -12.379 7.048 29.806 1.00 0.61 H new ATOM 0 HB2 LEU A 22 -9.847 5.635 28.860 1.00 0.59 H new ATOM 0 HB3 LEU A 22 -10.143 7.362 28.827 1.00 0.59 H new ATOM 0 HG LEU A 22 -9.768 5.555 31.235 1.00 0.49 H new ATOM 0 HD11 LEU A 22 -8.118 7.308 31.881 1.00 0.52 H new ATOM 0 HD12 LEU A 22 -7.761 6.639 30.271 1.00 0.52 H new ATOM 0 HD13 LEU A 22 -8.540 8.233 30.420 1.00 0.52 H new ATOM 0 HD21 LEU A 22 -10.451 7.450 32.699 1.00 0.53 H new ATOM 0 HD22 LEU A 22 -10.933 8.379 31.259 1.00 0.53 H new ATOM 0 HD23 LEU A 22 -11.803 6.886 31.687 1.00 0.53 H new ATOM 348 N ILE A 23 -12.283 4.784 27.395 1.00 0.72 N ATOM 349 CA ILE A 23 -12.806 4.580 26.018 1.00 0.85 C ATOM 350 C ILE A 23 -14.278 4.979 25.994 1.00 0.92 C ATOM 351 O ILE A 23 -14.772 5.500 25.012 1.00 1.05 O ATOM 352 CB ILE A 23 -12.706 3.102 25.619 1.00 0.82 C ATOM 353 CG1 ILE A 23 -11.237 2.698 25.451 1.00 0.96 C ATOM 354 CG2 ILE A 23 -13.450 2.874 24.295 1.00 0.77 C ATOM 355 CD1 ILE A 23 -11.145 1.204 25.116 1.00 0.91 C ATOM 0 H ILE A 23 -11.884 3.960 27.844 1.00 0.72 H new ATOM 0 HA ILE A 23 -12.221 5.183 25.324 1.00 0.85 H new ATOM 0 HB ILE A 23 -13.157 2.494 26.404 1.00 0.82 H new ATOM 0 HG12 ILE A 23 -10.777 3.287 24.658 1.00 0.96 H new ATOM 0 HG13 ILE A 23 -10.685 2.910 26.367 1.00 0.96 H new ATOM 0 HG21 ILE A 23 -13.378 1.824 24.013 1.00 0.77 H new ATOM 0 HG22 ILE A 23 -14.499 3.146 24.415 1.00 0.77 H new ATOM 0 HG23 ILE A 23 -13.002 3.490 23.515 1.00 0.77 H new ATOM 0 HD11 ILE A 23 -10.099 0.921 24.997 1.00 0.91 H new ATOM 0 HD12 ILE A 23 -11.589 0.622 25.924 1.00 0.91 H new ATOM 0 HD13 ILE A 23 -11.682 1.005 24.188 1.00 0.91 H new ATOM 367 N HIS A 24 -15.001 4.741 27.062 1.00 0.86 N ATOM 368 CA HIS A 24 -16.452 5.128 27.044 1.00 0.96 C ATOM 369 C HIS A 24 -16.639 6.619 27.341 1.00 0.99 C ATOM 370 O HIS A 24 -17.517 7.251 26.786 1.00 1.15 O ATOM 371 CB HIS A 24 -17.245 4.344 28.086 1.00 0.93 C ATOM 372 CG HIS A 24 -17.292 2.897 27.722 1.00 0.88 C ATOM 373 ND1 HIS A 24 -17.833 2.421 26.517 1.00 0.98 N ATOM 374 CD2 HIS A 24 -16.869 1.798 28.404 1.00 0.75 C ATOM 375 CE1 HIS A 24 -17.710 1.075 26.526 1.00 0.90 C ATOM 376 NE2 HIS A 24 -17.139 0.684 27.654 1.00 0.75 N ATOM 0 H HIS A 24 -14.665 4.309 27.923 1.00 0.86 H new ATOM 0 HA HIS A 24 -16.818 4.900 26.043 1.00 0.96 H new ATOM 0 HB2 HIS A 24 -16.787 4.464 29.068 1.00 0.93 H new ATOM 0 HB3 HIS A 24 -18.258 4.741 28.156 1.00 0.93 H new ATOM 0 HD1 HIS A 24 -18.243 2.986 25.773 1.00 0.98 H new ATOM 0 HD2 HIS A 24 -16.398 1.803 29.376 1.00 0.75 H new ATOM 0 HE1 HIS A 24 -18.030 0.417 25.732 1.00 0.90 H new ATOM 384 N SER A 25 -15.845 7.204 28.207 1.00 0.87 N ATOM 385 CA SER A 25 -16.022 8.653 28.503 1.00 0.92 C ATOM 386 C SER A 25 -15.290 9.462 27.436 1.00 0.84 C ATOM 387 O SER A 25 -15.885 10.230 26.716 1.00 0.86 O ATOM 388 CB SER A 25 -15.438 8.962 29.889 1.00 0.98 C ATOM 389 OG SER A 25 -15.676 7.862 30.756 1.00 1.22 O ATOM 0 H SER A 25 -15.090 6.742 28.715 1.00 0.87 H new ATOM 0 HA SER A 25 -17.080 8.914 28.498 1.00 0.92 H new ATOM 0 HB2 SER A 25 -14.368 9.153 29.811 1.00 0.98 H new ATOM 0 HB3 SER A 25 -15.894 9.865 30.295 1.00 0.98 H new ATOM 0 HG SER A 25 -15.303 8.056 31.641 1.00 1.22 H new ATOM 395 N ASP A 26 -14.006 9.257 27.336 1.00 0.80 N ATOM 396 CA ASP A 26 -13.157 9.954 26.317 1.00 0.74 C ATOM 397 C ASP A 26 -12.462 11.165 26.947 1.00 0.72 C ATOM 398 O ASP A 26 -12.545 12.279 26.466 1.00 0.84 O ATOM 399 CB ASP A 26 -13.983 10.362 25.082 1.00 0.86 C ATOM 400 CG ASP A 26 -14.697 11.703 25.306 1.00 1.65 C ATOM 401 OD1 ASP A 26 -14.795 12.122 26.446 1.00 2.33 O ATOM 402 OD2 ASP A 26 -15.142 12.281 24.328 1.00 1.85 O ATOM 0 H ASP A 26 -13.490 8.614 27.937 1.00 0.80 H new ATOM 0 HA ASP A 26 -12.391 9.258 25.975 1.00 0.74 H new ATOM 0 HB2 ASP A 26 -13.329 10.436 24.213 1.00 0.86 H new ATOM 0 HB3 ASP A 26 -14.719 9.588 24.862 1.00 0.86 H new ATOM 407 N THR A 27 -11.754 10.941 28.017 1.00 0.66 N ATOM 408 CA THR A 27 -11.029 12.055 28.683 1.00 0.73 C ATOM 409 C THR A 27 -9.963 12.598 27.725 1.00 0.65 C ATOM 410 O THR A 27 -9.835 13.790 27.536 1.00 0.70 O ATOM 411 CB THR A 27 -10.359 11.538 29.960 1.00 0.82 C ATOM 412 OG1 THR A 27 -9.277 12.392 30.308 1.00 0.85 O ATOM 413 CG2 THR A 27 -9.835 10.121 29.729 1.00 1.04 C ATOM 0 H THR A 27 -11.646 10.029 28.461 1.00 0.66 H new ATOM 0 HA THR A 27 -11.729 12.849 28.943 1.00 0.73 H new ATOM 0 HB THR A 27 -11.089 11.526 30.770 1.00 0.82 H new ATOM 0 HG1 THR A 27 -8.850 12.062 31.126 1.00 0.85 H new ATOM 0 HG21 THR A 27 -9.359 9.756 30.639 1.00 1.04 H new ATOM 0 HG22 THR A 27 -10.664 9.465 29.465 1.00 1.04 H new ATOM 0 HG23 THR A 27 -9.107 10.130 28.918 1.00 1.04 H new ATOM 421 N ARG A 28 -9.205 11.723 27.116 1.00 0.58 N ATOM 422 CA ARG A 28 -8.144 12.162 26.156 1.00 0.55 C ATOM 423 C ARG A 28 -7.495 13.466 26.637 1.00 0.56 C ATOM 424 O ARG A 28 -7.640 14.499 26.013 1.00 0.65 O ATOM 425 CB ARG A 28 -8.768 12.392 24.773 1.00 0.63 C ATOM 426 CG ARG A 28 -9.810 11.305 24.474 1.00 0.62 C ATOM 427 CD ARG A 28 -9.118 9.956 24.234 1.00 0.71 C ATOM 428 NE ARG A 28 -9.690 8.937 25.161 1.00 0.70 N ATOM 429 CZ ARG A 28 -9.614 7.667 24.864 1.00 0.68 C ATOM 430 NH1 ARG A 28 -9.033 7.291 23.757 1.00 0.94 N ATOM 431 NH2 ARG A 28 -10.115 6.776 25.674 1.00 0.84 N ATOM 0 H ARG A 28 -9.275 10.713 27.243 1.00 0.58 H new ATOM 0 HA ARG A 28 -7.382 11.385 26.097 1.00 0.55 H new ATOM 0 HB2 ARG A 28 -9.237 13.375 24.737 1.00 0.63 H new ATOM 0 HB3 ARG A 28 -7.991 12.381 24.009 1.00 0.63 H new ATOM 0 HG2 ARG A 28 -10.507 11.221 25.308 1.00 0.62 H new ATOM 0 HG3 ARG A 28 -10.394 11.583 23.597 1.00 0.62 H new ATOM 0 HD2 ARG A 28 -9.257 9.642 23.199 1.00 0.71 H new ATOM 0 HD3 ARG A 28 -8.044 10.051 24.397 1.00 0.71 H new ATOM 0 HE ARG A 28 -10.141 9.232 26.027 1.00 0.70 H new ATOM 0 HH11 ARG A 28 -8.639 7.988 23.125 1.00 0.94 H new ATOM 0 HH12 ARG A 28 -8.973 6.300 23.524 1.00 0.94 H new ATOM 0 HH21 ARG A 28 -10.566 7.071 26.540 1.00 0.84 H new ATOM 0 HH22 ARG A 28 -10.055 5.785 25.442 1.00 0.84 H new ATOM 445 N PRO A 29 -6.804 13.428 27.746 1.00 0.54 N ATOM 446 CA PRO A 29 -6.139 14.625 28.314 1.00 0.62 C ATOM 447 C PRO A 29 -4.708 14.842 27.797 1.00 0.62 C ATOM 448 O PRO A 29 -3.964 15.635 28.344 1.00 0.70 O ATOM 449 CB PRO A 29 -6.133 14.317 29.813 1.00 0.63 C ATOM 450 CG PRO A 29 -6.059 12.821 29.914 1.00 0.54 C ATOM 451 CD PRO A 29 -6.566 12.244 28.581 1.00 0.49 C ATOM 0 HA PRO A 29 -6.655 15.545 28.038 1.00 0.62 H new ATOM 0 HB2 PRO A 29 -5.282 14.786 30.307 1.00 0.63 H new ATOM 0 HB3 PRO A 29 -7.032 14.699 30.296 1.00 0.63 H new ATOM 0 HG2 PRO A 29 -5.035 12.500 30.107 1.00 0.54 H new ATOM 0 HG3 PRO A 29 -6.668 12.462 30.744 1.00 0.54 H new ATOM 0 HD2 PRO A 29 -5.830 11.579 28.129 1.00 0.49 H new ATOM 0 HD3 PRO A 29 -7.478 11.664 28.719 1.00 0.49 H new ATOM 459 N TYR A 30 -4.306 14.140 26.762 1.00 0.57 N ATOM 460 CA TYR A 30 -2.915 14.312 26.232 1.00 0.59 C ATOM 461 C TYR A 30 -2.981 14.840 24.790 1.00 0.60 C ATOM 462 O TYR A 30 -2.978 14.077 23.844 1.00 0.58 O ATOM 463 CB TYR A 30 -2.203 12.956 26.265 1.00 0.54 C ATOM 464 CG TYR A 30 -1.967 12.563 27.705 1.00 0.53 C ATOM 465 CD1 TYR A 30 -1.024 13.256 28.475 1.00 0.61 C ATOM 466 CD2 TYR A 30 -2.700 11.514 28.277 1.00 0.48 C ATOM 467 CE1 TYR A 30 -0.815 12.903 29.812 1.00 0.63 C ATOM 468 CE2 TYR A 30 -2.487 11.159 29.614 1.00 0.50 C ATOM 469 CZ TYR A 30 -1.546 11.855 30.382 1.00 0.58 C ATOM 470 OH TYR A 30 -1.340 11.508 31.703 1.00 0.63 O ATOM 0 H TYR A 30 -4.879 13.459 26.264 1.00 0.57 H new ATOM 0 HA TYR A 30 -2.364 15.026 26.844 1.00 0.59 H new ATOM 0 HB2 TYR A 30 -2.807 12.201 25.762 1.00 0.54 H new ATOM 0 HB3 TYR A 30 -1.255 13.015 25.730 1.00 0.54 H new ATOM 0 HD1 TYR A 30 -0.458 14.064 28.036 1.00 0.61 H new ATOM 0 HD2 TYR A 30 -3.429 10.980 27.686 1.00 0.48 H new ATOM 0 HE1 TYR A 30 -0.089 13.440 30.405 1.00 0.63 H new ATOM 0 HE2 TYR A 30 -3.049 10.348 30.053 1.00 0.50 H new ATOM 0 HH TYR A 30 -1.929 10.762 31.941 1.00 0.63 H new ATOM 480 N PRO A 31 -3.068 16.139 24.628 1.00 0.68 N ATOM 481 CA PRO A 31 -3.172 16.786 23.289 1.00 0.72 C ATOM 482 C PRO A 31 -1.817 17.033 22.605 1.00 0.71 C ATOM 483 O PRO A 31 -0.902 17.583 23.186 1.00 0.76 O ATOM 484 CB PRO A 31 -3.874 18.104 23.613 0.50 0.81 C ATOM 485 CG PRO A 31 -3.409 18.457 24.990 0.50 0.85 C ATOM 486 CD PRO A 31 -3.084 17.138 25.707 0.50 0.76 C ATOM 0 HA PRO A 31 -3.699 16.154 22.575 1.00 0.72 H new ATOM 0 HB2 PRO A 31 -3.609 18.880 22.895 0.50 0.81 H new ATOM 0 HB3 PRO A 31 -4.958 17.994 23.578 0.50 0.81 H new ATOM 0 HG2 PRO A 31 -2.529 19.099 24.947 0.50 0.85 H new ATOM 0 HG3 PRO A 31 -4.180 19.008 25.528 0.50 0.85 H new ATOM 0 HD2 PRO A 31 -2.123 17.188 26.218 0.50 0.76 H new ATOM 0 HD3 PRO A 31 -3.834 16.899 26.461 0.50 0.76 H new ATOM 494 N CYS A 32 -1.706 16.643 21.365 1.00 0.68 N ATOM 495 CA CYS A 32 -0.444 16.854 20.603 1.00 0.68 C ATOM 496 C CYS A 32 -0.025 18.316 20.666 1.00 0.77 C ATOM 497 O CYS A 32 -0.828 19.222 20.572 1.00 0.83 O ATOM 498 CB CYS A 32 -0.658 16.459 19.143 1.00 0.67 C ATOM 499 SG CYS A 32 0.548 17.303 18.083 1.00 0.71 S ATOM 0 H CYS A 32 -2.448 16.180 20.840 1.00 0.68 H new ATOM 0 HA CYS A 32 0.339 16.238 21.046 1.00 0.68 H new ATOM 0 HB2 CYS A 32 -0.558 15.379 19.032 1.00 0.67 H new ATOM 0 HB3 CYS A 32 -1.670 16.719 18.833 1.00 0.67 H new ATOM 0 HG CYS A 32 1.087 16.444 17.270 1.00 0.71 H new ATOM 504 N GLN A 33 1.250 18.527 20.820 1.00 0.80 N ATOM 505 CA GLN A 33 1.788 19.905 20.890 1.00 0.88 C ATOM 506 C GLN A 33 1.957 20.480 19.478 1.00 0.90 C ATOM 507 O GLN A 33 2.026 21.677 19.317 1.00 0.98 O ATOM 508 CB GLN A 33 3.153 19.899 21.607 1.00 0.92 C ATOM 509 CG GLN A 33 3.681 18.465 21.735 1.00 0.89 C ATOM 510 CD GLN A 33 2.896 17.721 22.818 1.00 0.85 C ATOM 511 OE1 GLN A 33 2.157 16.697 22.488 1.00 1.13 O flip ATOM 512 NE2 GLN A 33 2.959 18.072 23.979 1.00 1.05 N flip ATOM 0 H GLN A 33 1.950 17.790 20.901 1.00 0.80 H new ATOM 0 HA GLN A 33 1.087 20.526 21.448 1.00 0.88 H new ATOM 0 HB2 GLN A 33 3.866 20.508 21.051 1.00 0.92 H new ATOM 0 HB3 GLN A 33 3.054 20.347 22.596 1.00 0.92 H new ATOM 0 HG2 GLN A 33 3.586 17.946 20.781 1.00 0.89 H new ATOM 0 HG3 GLN A 33 4.742 18.479 21.986 1.00 0.89 H new ATOM 0 HE21 GLN A 33 3.536 18.872 24.239 1.00 1.05 H new ATOM 0 HE22 GLN A 33 2.435 17.567 24.694 1.00 1.05 H new ATOM 521 N TYR A 34 2.039 19.661 18.454 1.00 0.83 N ATOM 522 CA TYR A 34 2.226 20.242 17.088 1.00 0.85 C ATOM 523 C TYR A 34 0.931 20.213 16.270 1.00 0.90 C ATOM 524 O TYR A 34 0.333 21.242 16.024 1.00 0.99 O ATOM 525 CB TYR A 34 3.308 19.474 16.339 1.00 0.78 C ATOM 526 CG TYR A 34 4.521 19.346 17.224 1.00 0.75 C ATOM 527 CD1 TYR A 34 4.558 18.350 18.200 1.00 0.71 C ATOM 528 CD2 TYR A 34 5.603 20.223 17.072 1.00 0.79 C ATOM 529 CE1 TYR A 34 5.676 18.227 19.033 1.00 0.71 C ATOM 530 CE2 TYR A 34 6.723 20.100 17.901 1.00 0.79 C ATOM 531 CZ TYR A 34 6.759 19.102 18.882 1.00 0.75 C ATOM 532 OH TYR A 34 7.861 18.981 19.703 1.00 0.78 O ATOM 0 H TYR A 34 1.986 18.644 18.502 1.00 0.83 H new ATOM 0 HA TYR A 34 2.523 21.283 17.217 1.00 0.85 H new ATOM 0 HB2 TYR A 34 2.942 18.487 16.057 1.00 0.78 H new ATOM 0 HB3 TYR A 34 3.568 19.993 15.417 1.00 0.78 H new ATOM 0 HD1 TYR A 34 3.724 17.674 18.313 1.00 0.71 H new ATOM 0 HD2 TYR A 34 5.572 20.993 16.316 1.00 0.79 H new ATOM 0 HE1 TYR A 34 5.703 17.458 19.791 1.00 0.71 H new ATOM 0 HE2 TYR A 34 7.559 20.774 17.784 1.00 0.79 H new ATOM 0 HH TYR A 34 8.522 19.664 19.466 1.00 0.78 H new ATOM 542 N CYS A 35 0.510 19.059 15.799 1.00 0.87 N ATOM 543 CA CYS A 35 -0.731 19.028 14.940 1.00 0.93 C ATOM 544 C CYS A 35 -2.029 19.111 15.785 1.00 0.95 C ATOM 545 O CYS A 35 -3.056 19.523 15.283 1.00 1.04 O ATOM 546 CB CYS A 35 -0.739 17.821 13.977 1.00 0.91 C ATOM 547 SG CYS A 35 -0.958 16.254 14.840 1.00 0.81 S ATOM 0 H CYS A 35 0.956 18.157 15.964 1.00 0.87 H new ATOM 0 HA CYS A 35 -0.706 19.924 14.320 1.00 0.93 H new ATOM 0 HB2 CYS A 35 -1.540 17.946 13.249 1.00 0.91 H new ATOM 0 HB3 CYS A 35 0.198 17.798 13.420 1.00 0.91 H new ATOM 0 HG CYS A 35 -0.492 16.356 16.049 1.00 0.81 H new ATOM 552 N GLY A 36 -1.987 18.811 17.069 1.00 0.88 N ATOM 553 CA GLY A 36 -3.218 18.985 17.925 1.00 0.91 C ATOM 554 C GLY A 36 -4.009 17.692 18.207 1.00 0.85 C ATOM 555 O GLY A 36 -4.936 17.717 18.995 1.00 0.88 O ATOM 0 H GLY A 36 -1.165 18.457 17.558 1.00 0.88 H new ATOM 0 HA2 GLY A 36 -2.920 19.425 18.877 1.00 0.91 H new ATOM 0 HA3 GLY A 36 -3.882 19.699 17.438 1.00 0.91 H new ATOM 559 N LYS A 37 -3.707 16.575 17.611 1.00 0.78 N ATOM 560 CA LYS A 37 -4.531 15.360 17.929 1.00 0.75 C ATOM 561 C LYS A 37 -4.612 15.177 19.465 1.00 0.70 C ATOM 562 O LYS A 37 -3.905 15.822 20.207 1.00 0.70 O ATOM 563 CB LYS A 37 -3.919 14.119 17.255 1.00 0.72 C ATOM 564 CG LYS A 37 -4.684 13.807 15.961 1.00 0.80 C ATOM 565 CD LYS A 37 -3.837 12.905 15.053 1.00 0.88 C ATOM 566 CE LYS A 37 -4.756 12.108 14.120 1.00 1.51 C ATOM 567 NZ LYS A 37 -5.086 10.797 14.751 1.00 2.38 N ATOM 0 H LYS A 37 -2.952 16.443 16.938 1.00 0.78 H new ATOM 0 HA LYS A 37 -5.542 15.491 17.542 1.00 0.75 H new ATOM 0 HB2 LYS A 37 -2.866 14.295 17.034 1.00 0.72 H new ATOM 0 HB3 LYS A 37 -3.965 13.265 17.931 1.00 0.72 H new ATOM 0 HG2 LYS A 37 -5.628 13.316 16.197 1.00 0.80 H new ATOM 0 HG3 LYS A 37 -4.928 14.733 15.441 1.00 0.80 H new ATOM 0 HD2 LYS A 37 -3.143 13.509 14.468 1.00 0.88 H new ATOM 0 HD3 LYS A 37 -3.236 12.225 15.657 1.00 0.88 H new ATOM 0 HE2 LYS A 37 -5.669 12.670 13.924 1.00 1.51 H new ATOM 0 HE3 LYS A 37 -4.267 11.949 13.159 1.00 1.51 H new ATOM 0 HZ1 LYS A 37 -5.709 10.255 14.119 1.00 2.38 H new ATOM 0 HZ2 LYS A 37 -4.210 10.261 14.916 1.00 2.38 H new ATOM 0 HZ3 LYS A 37 -5.569 10.960 15.658 1.00 2.38 H new ATOM 581 N ARG A 38 -5.474 14.310 19.945 1.00 0.68 N ATOM 582 CA ARG A 38 -5.604 14.092 21.430 1.00 0.64 C ATOM 583 C ARG A 38 -5.434 12.605 21.733 1.00 0.55 C ATOM 584 O ARG A 38 -6.026 11.762 21.090 1.00 0.55 O ATOM 585 CB ARG A 38 -6.987 14.556 21.926 1.00 0.69 C ATOM 586 CG ARG A 38 -7.294 15.972 21.407 1.00 0.77 C ATOM 587 CD ARG A 38 -8.351 15.905 20.302 1.00 0.92 C ATOM 588 NE ARG A 38 -7.746 15.305 19.073 1.00 1.01 N ATOM 589 CZ ARG A 38 -8.293 14.267 18.489 1.00 1.23 C ATOM 590 NH1 ARG A 38 -9.352 13.697 19.000 1.00 1.46 N ATOM 591 NH2 ARG A 38 -7.768 13.794 17.392 1.00 1.47 N ATOM 0 H ARG A 38 -6.097 13.740 19.373 1.00 0.68 H new ATOM 0 HA ARG A 38 -4.835 14.672 21.941 1.00 0.64 H new ATOM 0 HB2 ARG A 38 -7.755 13.862 21.584 1.00 0.69 H new ATOM 0 HB3 ARG A 38 -7.012 14.548 23.016 1.00 0.69 H new ATOM 0 HG2 ARG A 38 -7.650 16.599 22.225 1.00 0.77 H new ATOM 0 HG3 ARG A 38 -6.384 16.433 21.024 1.00 0.77 H new ATOM 0 HD2 ARG A 38 -9.201 15.307 20.632 1.00 0.92 H new ATOM 0 HD3 ARG A 38 -8.729 16.904 20.084 1.00 0.92 H new ATOM 0 HE ARG A 38 -6.895 15.710 18.683 1.00 1.01 H new ATOM 0 HH11 ARG A 38 -9.761 14.059 19.861 1.00 1.46 H new ATOM 0 HH12 ARG A 38 -9.770 12.890 18.537 1.00 1.46 H new ATOM 0 HH21 ARG A 38 -6.937 14.232 16.994 1.00 1.47 H new ATOM 0 HH22 ARG A 38 -8.189 12.986 16.932 1.00 1.47 H new ATOM 605 N PHE A 39 -4.633 12.277 22.721 1.00 0.51 N ATOM 606 CA PHE A 39 -4.415 10.844 23.080 1.00 0.43 C ATOM 607 C PHE A 39 -4.874 10.592 24.518 1.00 0.41 C ATOM 608 O PHE A 39 -5.109 11.517 25.284 1.00 0.46 O ATOM 609 CB PHE A 39 -2.927 10.514 22.978 1.00 0.42 C ATOM 610 CG PHE A 39 -2.465 10.749 21.567 1.00 0.42 C ATOM 611 CD1 PHE A 39 -2.526 9.710 20.635 1.00 0.43 C ATOM 612 CD2 PHE A 39 -1.986 12.007 21.190 1.00 0.47 C ATOM 613 CE1 PHE A 39 -2.109 9.929 19.320 1.00 0.47 C ATOM 614 CE2 PHE A 39 -1.566 12.226 19.876 1.00 0.49 C ATOM 615 CZ PHE A 39 -1.629 11.187 18.940 1.00 0.48 C ATOM 0 H PHE A 39 -4.120 12.946 23.295 1.00 0.51 H new ATOM 0 HA PHE A 39 -4.987 10.217 22.395 1.00 0.43 H new ATOM 0 HB2 PHE A 39 -2.356 11.135 23.669 1.00 0.42 H new ATOM 0 HB3 PHE A 39 -2.752 9.477 23.263 1.00 0.42 H new ATOM 0 HD1 PHE A 39 -2.895 8.739 20.931 1.00 0.43 H new ATOM 0 HD2 PHE A 39 -1.941 12.808 21.913 1.00 0.47 H new ATOM 0 HE1 PHE A 39 -2.157 9.128 18.597 1.00 0.47 H new ATOM 0 HE2 PHE A 39 -1.193 13.196 19.582 1.00 0.49 H new ATOM 0 HZ PHE A 39 -1.307 11.357 17.923 1.00 0.48 H new ATOM 625 N HIS A 40 -5.001 9.340 24.887 1.00 0.36 N ATOM 626 CA HIS A 40 -5.451 8.997 26.265 1.00 0.34 C ATOM 627 C HIS A 40 -4.266 8.553 27.138 1.00 0.34 C ATOM 628 O HIS A 40 -4.451 8.191 28.284 1.00 0.39 O ATOM 629 CB HIS A 40 -6.485 7.867 26.191 1.00 0.33 C ATOM 630 CG HIS A 40 -6.262 7.064 24.940 1.00 0.41 C ATOM 631 ND1 HIS A 40 -6.457 7.597 23.676 1.00 0.62 N ATOM 632 CD2 HIS A 40 -5.854 5.767 24.741 1.00 0.68 C ATOM 633 CE1 HIS A 40 -6.170 6.634 22.781 1.00 0.75 C ATOM 634 NE2 HIS A 40 -5.797 5.498 23.377 1.00 0.79 N ATOM 0 H HIS A 40 -4.810 8.539 24.286 1.00 0.36 H new ATOM 0 HA HIS A 40 -5.895 9.884 26.717 1.00 0.34 H new ATOM 0 HB2 HIS A 40 -6.401 7.225 27.068 1.00 0.33 H new ATOM 0 HB3 HIS A 40 -7.493 8.281 26.195 1.00 0.33 H new ATOM 0 HD2 HIS A 40 -5.614 5.063 25.524 1.00 0.68 H new ATOM 0 HE1 HIS A 40 -6.233 6.764 21.711 1.00 0.75 H new ATOM 0 HE2 HIS A 40 -5.528 4.622 22.929 1.00 0.79 H new ATOM 642 N GLN A 41 -3.054 8.574 26.634 1.00 0.31 N ATOM 643 CA GLN A 41 -1.902 8.146 27.496 1.00 0.35 C ATOM 644 C GLN A 41 -0.635 8.941 27.157 1.00 0.37 C ATOM 645 O GLN A 41 -0.132 8.889 26.056 1.00 0.36 O ATOM 646 CB GLN A 41 -1.615 6.654 27.300 1.00 0.35 C ATOM 647 CG GLN A 41 -2.918 5.854 27.303 1.00 0.55 C ATOM 648 CD GLN A 41 -2.580 4.365 27.171 1.00 0.65 C ATOM 649 OE1 GLN A 41 -1.461 4.016 26.856 1.00 1.02 O ATOM 650 NE2 GLN A 41 -3.503 3.470 27.402 1.00 1.15 N ATOM 0 H GLN A 41 -2.814 8.862 25.685 1.00 0.31 H new ATOM 0 HA GLN A 41 -2.178 8.337 28.533 1.00 0.35 H new ATOM 0 HB2 GLN A 41 -1.088 6.499 26.358 1.00 0.35 H new ATOM 0 HB3 GLN A 41 -0.960 6.296 28.094 1.00 0.35 H new ATOM 0 HG2 GLN A 41 -3.471 6.036 28.225 1.00 0.55 H new ATOM 0 HG3 GLN A 41 -3.558 6.171 26.479 1.00 0.55 H new ATOM 0 HE21 GLN A 41 -4.443 3.764 27.667 1.00 1.15 H new ATOM 0 HE22 GLN A 41 -3.283 2.477 27.318 1.00 1.15 H new ATOM 659 N LYS A 42 -0.128 9.677 28.100 1.00 0.43 N ATOM 660 CA LYS A 42 1.099 10.495 27.872 1.00 0.47 C ATOM 661 C LYS A 42 2.105 9.776 26.968 1.00 0.44 C ATOM 662 O LYS A 42 2.359 10.190 25.851 1.00 0.48 O ATOM 663 CB LYS A 42 1.750 10.749 29.227 1.00 0.56 C ATOM 664 CG LYS A 42 2.965 11.649 29.060 1.00 0.62 C ATOM 665 CD LYS A 42 3.566 11.925 30.431 1.00 0.75 C ATOM 666 CE LYS A 42 4.476 13.140 30.337 1.00 1.12 C ATOM 667 NZ LYS A 42 5.240 13.062 29.062 1.00 2.07 N ATOM 0 H LYS A 42 -0.517 9.750 29.040 1.00 0.43 H new ATOM 0 HA LYS A 42 0.813 11.424 27.379 1.00 0.47 H new ATOM 0 HB2 LYS A 42 1.033 11.214 29.903 1.00 0.56 H new ATOM 0 HB3 LYS A 42 2.047 9.803 29.680 1.00 0.56 H new ATOM 0 HG2 LYS A 42 3.702 11.171 28.414 1.00 0.62 H new ATOM 0 HG3 LYS A 42 2.678 12.584 28.579 1.00 0.62 H new ATOM 0 HD2 LYS A 42 2.775 12.102 31.160 1.00 0.75 H new ATOM 0 HD3 LYS A 42 4.130 11.058 30.776 1.00 0.75 H new ATOM 0 HE2 LYS A 42 3.888 14.057 30.370 1.00 1.12 H new ATOM 0 HE3 LYS A 42 5.159 13.168 31.186 1.00 1.12 H new ATOM 0 HZ1 LYS A 42 6.084 13.666 29.126 1.00 2.07 H new ATOM 0 HZ2 LYS A 42 5.530 12.078 28.891 1.00 2.07 H new ATOM 0 HZ3 LYS A 42 4.640 13.387 28.277 1.00 2.07 H new ATOM 681 N SER A 43 2.713 8.728 27.446 1.00 0.45 N ATOM 682 CA SER A 43 3.725 8.004 26.626 1.00 0.45 C ATOM 683 C SER A 43 3.190 7.737 25.222 1.00 0.41 C ATOM 684 O SER A 43 3.936 7.669 24.271 1.00 0.42 O ATOM 685 CB SER A 43 4.050 6.688 27.327 1.00 0.52 C ATOM 686 OG SER A 43 4.304 6.963 28.703 1.00 1.35 O ATOM 0 H SER A 43 2.552 8.339 28.375 1.00 0.45 H new ATOM 0 HA SER A 43 4.625 8.611 26.527 1.00 0.45 H new ATOM 0 HB2 SER A 43 3.219 5.989 27.227 1.00 0.52 H new ATOM 0 HB3 SER A 43 4.919 6.218 26.867 1.00 0.52 H new ATOM 0 HG SER A 43 4.513 6.127 29.170 1.00 1.35 H new ATOM 692 N ASP A 44 1.902 7.623 25.073 1.00 0.39 N ATOM 693 CA ASP A 44 1.347 7.399 23.707 1.00 0.39 C ATOM 694 C ASP A 44 1.422 8.720 22.939 1.00 0.37 C ATOM 695 O ASP A 44 1.800 8.752 21.777 1.00 0.41 O ATOM 696 CB ASP A 44 -0.090 6.873 23.787 1.00 0.43 C ATOM 697 CG ASP A 44 -0.066 5.453 24.354 1.00 0.53 C ATOM 698 OD1 ASP A 44 1.022 4.922 24.523 1.00 0.83 O ATOM 699 OD2 ASP A 44 -1.130 4.920 24.610 1.00 0.66 O ATOM 0 H ASP A 44 1.215 7.674 25.825 1.00 0.39 H new ATOM 0 HA ASP A 44 1.930 6.643 23.181 1.00 0.39 H new ATOM 0 HB2 ASP A 44 -0.694 7.522 24.421 1.00 0.43 H new ATOM 0 HB3 ASP A 44 -0.548 6.876 22.798 1.00 0.43 H new ATOM 704 N MET A 45 1.136 9.823 23.569 1.00 0.37 N ATOM 705 CA MET A 45 1.271 11.116 22.859 1.00 0.39 C ATOM 706 C MET A 45 2.756 11.354 22.621 1.00 0.39 C ATOM 707 O MET A 45 3.183 11.704 21.550 1.00 0.45 O ATOM 708 CB MET A 45 0.730 12.246 23.737 0.50 0.44 C ATOM 709 CG MET A 45 1.132 13.605 23.138 0.50 0.54 C ATOM 710 SD MET A 45 2.432 14.355 24.152 1.00 0.60 S ATOM 711 CE MET A 45 1.447 14.604 25.650 1.00 0.64 C ATOM 0 H MET A 45 0.818 9.883 24.536 1.00 0.37 H new ATOM 0 HA MET A 45 0.716 11.093 21.921 1.00 0.39 H new ATOM 0 HB2 MET A 45 -0.355 12.176 23.809 0.50 0.44 H new ATOM 0 HB3 MET A 45 1.123 12.153 24.749 0.50 0.44 H new ATOM 0 HG2 MET A 45 1.485 13.473 22.115 0.50 0.54 H new ATOM 0 HG3 MET A 45 0.266 14.265 23.093 0.50 0.54 H new ATOM 0 HE1 MET A 45 1.736 15.542 26.123 1.00 0.64 H new ATOM 0 HE2 MET A 45 0.389 14.640 25.388 1.00 0.64 H new ATOM 0 HE3 MET A 45 1.622 13.780 26.342 1.00 0.64 H new ATOM 721 N LYS A 46 3.552 11.172 23.637 1.00 0.37 N ATOM 722 CA LYS A 46 5.008 11.388 23.470 1.00 0.38 C ATOM 723 C LYS A 46 5.457 10.562 22.271 1.00 0.33 C ATOM 724 O LYS A 46 6.258 10.994 21.467 1.00 0.34 O ATOM 725 CB LYS A 46 5.736 10.940 24.736 1.00 0.43 C ATOM 726 CG LYS A 46 7.213 11.324 24.649 1.00 0.54 C ATOM 727 CD LYS A 46 7.952 10.746 25.854 1.00 0.71 C ATOM 728 CE LYS A 46 9.399 11.232 25.846 1.00 1.07 C ATOM 729 NZ LYS A 46 10.191 10.458 26.842 1.00 1.68 N ATOM 0 H LYS A 46 3.256 10.884 24.570 1.00 0.37 H new ATOM 0 HA LYS A 46 5.235 12.441 23.304 1.00 0.38 H new ATOM 0 HB2 LYS A 46 5.281 11.404 25.611 1.00 0.43 H new ATOM 0 HB3 LYS A 46 5.638 9.862 24.860 1.00 0.43 H new ATOM 0 HG2 LYS A 46 7.647 10.943 23.724 1.00 0.54 H new ATOM 0 HG3 LYS A 46 7.319 12.409 24.628 1.00 0.54 H new ATOM 0 HD2 LYS A 46 7.460 11.052 26.777 1.00 0.71 H new ATOM 0 HD3 LYS A 46 7.923 9.657 25.823 1.00 0.71 H new ATOM 0 HE2 LYS A 46 9.828 11.111 24.852 1.00 1.07 H new ATOM 0 HE3 LYS A 46 9.438 12.295 26.083 1.00 1.07 H new ATOM 0 HZ1 LYS A 46 11.177 10.790 26.836 1.00 1.68 H new ATOM 0 HZ2 LYS A 46 9.786 10.595 27.790 1.00 1.68 H new ATOM 0 HZ3 LYS A 46 10.165 9.448 26.597 1.00 1.68 H new ATOM 743 N LYS A 47 4.897 9.391 22.113 1.00 0.32 N ATOM 744 CA LYS A 47 5.246 8.577 20.922 1.00 0.32 C ATOM 745 C LYS A 47 4.778 9.386 19.733 1.00 0.31 C ATOM 746 O LYS A 47 5.396 9.416 18.684 1.00 0.36 O ATOM 747 CB LYS A 47 4.506 7.228 20.929 1.00 0.37 C ATOM 748 CG LYS A 47 5.227 6.243 21.851 1.00 0.49 C ATOM 749 CD LYS A 47 4.361 4.993 22.082 1.00 0.59 C ATOM 750 CE LYS A 47 4.564 3.988 20.944 1.00 0.79 C ATOM 751 NZ LYS A 47 3.895 2.700 21.293 1.00 1.12 N ATOM 0 H LYS A 47 4.221 8.971 22.751 1.00 0.32 H new ATOM 0 HA LYS A 47 6.314 8.362 20.900 1.00 0.32 H new ATOM 0 HB2 LYS A 47 3.479 7.369 21.265 1.00 0.37 H new ATOM 0 HB3 LYS A 47 4.458 6.824 19.918 1.00 0.37 H new ATOM 0 HG2 LYS A 47 6.182 5.955 21.411 1.00 0.49 H new ATOM 0 HG3 LYS A 47 5.447 6.722 22.805 1.00 0.49 H new ATOM 0 HD2 LYS A 47 4.623 4.532 23.034 1.00 0.59 H new ATOM 0 HD3 LYS A 47 3.310 5.276 22.143 1.00 0.59 H new ATOM 0 HE2 LYS A 47 4.152 4.385 20.016 1.00 0.79 H new ATOM 0 HE3 LYS A 47 5.628 3.823 20.775 1.00 0.79 H new ATOM 0 HZ1 LYS A 47 3.535 2.250 20.427 1.00 1.12 H new ATOM 0 HZ2 LYS A 47 4.580 2.067 21.754 1.00 1.12 H new ATOM 0 HZ3 LYS A 47 3.103 2.885 21.942 1.00 1.12 H new ATOM 765 N HIS A 48 3.711 10.107 19.928 1.00 0.32 N ATOM 766 CA HIS A 48 3.204 10.971 18.847 1.00 0.36 C ATOM 767 C HIS A 48 4.210 12.129 18.656 1.00 0.39 C ATOM 768 O HIS A 48 4.858 12.270 17.617 1.00 0.43 O ATOM 769 CB HIS A 48 1.822 11.494 19.256 1.00 0.39 C ATOM 770 CG HIS A 48 1.321 12.414 18.205 1.00 0.47 C ATOM 771 ND1 HIS A 48 0.573 11.982 17.100 1.00 0.54 N ATOM 772 CD2 HIS A 48 1.475 13.753 18.060 1.00 0.51 C ATOM 773 CE1 HIS A 48 0.312 13.071 16.349 1.00 0.61 C ATOM 774 NE2 HIS A 48 0.843 14.136 16.912 1.00 0.59 N ATOM 0 H HIS A 48 3.172 10.130 20.794 1.00 0.32 H new ATOM 0 HA HIS A 48 3.104 10.430 17.906 1.00 0.36 H new ATOM 0 HB2 HIS A 48 1.130 10.663 19.389 1.00 0.39 H new ATOM 0 HB3 HIS A 48 1.884 12.014 20.212 1.00 0.39 H new ATOM 0 HD1 HIS A 48 0.282 11.025 16.902 1.00 0.54 H new ATOM 0 HD2 HIS A 48 2.007 14.405 18.737 1.00 0.51 H new ATOM 0 HE1 HIS A 48 -0.248 13.070 15.425 1.00 0.61 H new ATOM 782 N THR A 49 4.373 12.960 19.658 1.00 0.38 N ATOM 783 CA THR A 49 5.335 14.083 19.558 1.00 0.43 C ATOM 784 C THR A 49 6.599 13.631 18.845 1.00 0.41 C ATOM 785 O THR A 49 7.164 14.353 18.054 1.00 0.47 O ATOM 786 CB THR A 49 5.759 14.499 20.969 1.00 0.45 C ATOM 787 OG1 THR A 49 6.361 13.380 21.596 1.00 0.42 O ATOM 788 CG2 THR A 49 4.563 14.944 21.809 1.00 0.51 C ATOM 0 H THR A 49 3.873 12.901 20.545 1.00 0.38 H new ATOM 0 HA THR A 49 4.856 14.899 19.016 1.00 0.43 H new ATOM 0 HB THR A 49 6.451 15.338 20.892 1.00 0.45 H new ATOM 0 HG1 THR A 49 5.977 12.555 21.232 1.00 0.42 H new ATOM 0 HG21 THR A 49 4.904 15.232 22.804 1.00 0.51 H new ATOM 0 HG22 THR A 49 4.079 15.796 21.331 1.00 0.51 H new ATOM 0 HG23 THR A 49 3.851 14.123 21.893 1.00 0.51 H new ATOM 796 N PHE A 50 7.040 12.431 19.097 1.00 0.36 N ATOM 797 CA PHE A 50 8.262 11.939 18.423 1.00 0.36 C ATOM 798 C PHE A 50 7.966 11.701 16.933 1.00 0.41 C ATOM 799 O PHE A 50 8.793 11.983 16.086 1.00 0.46 O ATOM 800 CB PHE A 50 8.710 10.644 19.109 1.00 0.34 C ATOM 801 CG PHE A 50 9.533 10.986 20.346 1.00 0.30 C ATOM 802 CD1 PHE A 50 9.218 12.114 21.131 1.00 0.45 C ATOM 803 CD2 PHE A 50 10.612 10.173 20.709 1.00 0.41 C ATOM 804 CE1 PHE A 50 9.982 12.414 22.267 1.00 0.47 C ATOM 805 CE2 PHE A 50 11.376 10.479 21.845 1.00 0.51 C ATOM 806 CZ PHE A 50 11.061 11.596 22.623 1.00 0.45 C ATOM 0 H PHE A 50 6.603 11.772 19.742 1.00 0.36 H new ATOM 0 HA PHE A 50 9.063 12.675 18.496 1.00 0.36 H new ATOM 0 HB2 PHE A 50 7.841 10.049 19.390 1.00 0.34 H new ATOM 0 HB3 PHE A 50 9.301 10.040 18.421 1.00 0.34 H new ATOM 0 HD1 PHE A 50 8.387 12.747 20.857 1.00 0.45 H new ATOM 0 HD2 PHE A 50 10.858 9.307 20.113 1.00 0.41 H new ATOM 0 HE1 PHE A 50 9.738 13.277 22.868 1.00 0.47 H new ATOM 0 HE2 PHE A 50 12.210 9.850 22.119 1.00 0.51 H new ATOM 0 HZ PHE A 50 11.649 11.828 23.498 1.00 0.45 H new ATOM 816 N ILE A 51 6.773 11.257 16.589 1.00 0.42 N ATOM 817 CA ILE A 51 6.469 11.104 15.129 1.00 0.49 C ATOM 818 C ILE A 51 6.678 12.481 14.468 1.00 0.54 C ATOM 819 O ILE A 51 6.923 12.563 13.280 1.00 0.60 O ATOM 820 CB ILE A 51 5.033 10.580 14.847 1.00 0.53 C ATOM 821 CG1 ILE A 51 3.972 11.655 15.154 1.00 0.63 C ATOM 822 CG2 ILE A 51 4.722 9.328 15.676 1.00 0.56 C ATOM 823 CD1 ILE A 51 2.775 11.476 14.215 1.00 0.70 C ATOM 0 H ILE A 51 6.023 11.003 17.232 1.00 0.42 H new ATOM 0 HA ILE A 51 7.139 10.351 14.713 1.00 0.49 H new ATOM 0 HB ILE A 51 4.995 10.329 13.787 1.00 0.53 H new ATOM 0 HG12 ILE A 51 3.648 11.576 16.192 1.00 0.63 H new ATOM 0 HG13 ILE A 51 4.400 12.650 15.029 1.00 0.63 H new ATOM 0 HG21 ILE A 51 3.710 8.987 15.455 1.00 0.56 H new ATOM 0 HG22 ILE A 51 5.433 8.540 15.426 1.00 0.56 H new ATOM 0 HG23 ILE A 51 4.801 9.565 16.737 1.00 0.56 H new ATOM 0 HD11 ILE A 51 2.025 12.236 14.433 1.00 0.70 H new ATOM 0 HD12 ILE A 51 3.105 11.577 13.181 1.00 0.70 H new ATOM 0 HD13 ILE A 51 2.342 10.487 14.362 1.00 0.70 H new ATOM 835 N HIS A 52 6.637 13.558 15.227 1.00 0.53 N ATOM 836 CA HIS A 52 6.893 14.931 14.602 1.00 0.59 C ATOM 837 C HIS A 52 8.352 15.377 14.716 1.00 0.56 C ATOM 838 O HIS A 52 8.878 16.068 13.865 1.00 0.61 O ATOM 839 CB HIS A 52 6.227 16.043 15.385 1.00 0.64 C ATOM 840 CG HIS A 52 4.770 16.124 15.164 1.00 0.67 C ATOM 841 ND1 HIS A 52 4.201 16.690 14.016 1.00 0.75 N ATOM 842 CD2 HIS A 52 3.748 15.829 15.996 1.00 0.64 C ATOM 843 CE1 HIS A 52 2.864 16.720 14.213 1.00 0.77 C ATOM 844 NE2 HIS A 52 2.575 16.210 15.403 1.00 0.70 N ATOM 0 H HIS A 52 6.444 13.562 16.228 1.00 0.53 H new ATOM 0 HA HIS A 52 6.539 14.800 13.580 1.00 0.59 H new ATOM 0 HB2 HIS A 52 6.418 15.894 16.448 1.00 0.64 H new ATOM 0 HB3 HIS A 52 6.682 16.994 15.110 1.00 0.64 H new ATOM 0 HD1 HIS A 52 4.700 17.017 13.189 1.00 0.75 H new ATOM 0 HD2 HIS A 52 3.841 15.369 16.968 1.00 0.64 H new ATOM 0 HE1 HIS A 52 2.140 17.102 13.508 1.00 0.77 H new ATOM 852 N THR A 53 8.974 15.040 15.805 1.00 0.49 N ATOM 853 CA THR A 53 10.372 15.498 16.042 1.00 0.47 C ATOM 854 C THR A 53 11.311 14.697 15.165 1.00 0.41 C ATOM 855 O THR A 53 12.448 15.060 14.949 1.00 0.65 O ATOM 856 CB THR A 53 10.740 15.280 17.517 1.00 0.47 C ATOM 857 OG1 THR A 53 10.615 13.903 17.819 1.00 0.47 O ATOM 858 CG2 THR A 53 9.810 16.096 18.423 1.00 0.64 C ATOM 0 H THR A 53 8.576 14.464 16.547 1.00 0.49 H new ATOM 0 HA THR A 53 10.457 16.558 15.801 1.00 0.47 H new ATOM 0 HB THR A 53 11.765 15.608 17.688 1.00 0.47 H new ATOM 0 HG1 THR A 53 10.500 13.789 18.786 1.00 0.47 H new ATOM 0 HG21 THR A 53 10.082 15.932 19.466 1.00 0.64 H new ATOM 0 HG22 THR A 53 9.907 17.155 18.185 1.00 0.64 H new ATOM 0 HG23 THR A 53 8.779 15.782 18.263 1.00 0.64 H new ATOM 866 N GLY A 54 10.842 13.594 14.682 1.00 0.42 N ATOM 867 CA GLY A 54 11.690 12.719 13.840 1.00 0.52 C ATOM 868 C GLY A 54 12.411 11.740 14.758 1.00 0.50 C ATOM 869 O GLY A 54 13.306 11.026 14.356 1.00 0.59 O ATOM 0 H GLY A 54 9.893 13.254 14.836 1.00 0.42 H new ATOM 0 HA2 GLY A 54 11.080 12.182 13.113 1.00 0.52 H new ATOM 0 HA3 GLY A 54 12.409 13.313 13.276 1.00 0.52 H new ATOM 873 N GLU A 55 12.047 11.748 16.010 1.00 0.46 N ATOM 874 CA GLU A 55 12.717 10.880 17.010 1.00 0.51 C ATOM 875 C GLU A 55 12.324 9.406 16.861 1.00 0.52 C ATOM 876 O GLU A 55 11.199 9.007 17.091 1.00 0.62 O ATOM 877 CB GLU A 55 12.334 11.404 18.395 1.00 0.63 C ATOM 878 CG GLU A 55 13.122 12.698 18.642 1.00 0.77 C ATOM 879 CD GLU A 55 12.760 13.293 19.999 1.00 0.92 C ATOM 880 OE1 GLU A 55 11.693 12.987 20.494 1.00 1.18 O ATOM 881 OE2 GLU A 55 13.557 14.063 20.514 1.00 1.53 O ATOM 0 H GLU A 55 11.299 12.331 16.386 1.00 0.46 H new ATOM 0 HA GLU A 55 13.796 10.918 16.859 1.00 0.51 H new ATOM 0 HB2 GLU A 55 11.262 11.594 18.449 1.00 0.63 H new ATOM 0 HB3 GLU A 55 12.565 10.664 19.161 1.00 0.63 H new ATOM 0 HG2 GLU A 55 14.192 12.493 18.602 1.00 0.77 H new ATOM 0 HG3 GLU A 55 12.906 13.418 17.853 1.00 0.77 H new ATOM 888 N LYS A 56 13.292 8.594 16.522 1.00 0.46 N ATOM 889 CA LYS A 56 13.059 7.123 16.388 1.00 0.49 C ATOM 890 C LYS A 56 14.067 6.383 17.284 1.00 0.40 C ATOM 891 O LYS A 56 14.974 5.733 16.797 1.00 0.39 O ATOM 892 CB LYS A 56 13.264 6.686 14.930 1.00 0.56 C ATOM 893 CG LYS A 56 12.079 7.144 14.064 1.00 0.79 C ATOM 894 CD LYS A 56 12.472 7.077 12.582 1.00 0.90 C ATOM 895 CE LYS A 56 11.297 7.538 11.718 1.00 1.10 C ATOM 896 NZ LYS A 56 10.181 6.557 11.827 1.00 1.67 N ATOM 0 H LYS A 56 14.248 8.892 16.329 1.00 0.46 H new ATOM 0 HA LYS A 56 12.038 6.887 16.688 1.00 0.49 H new ATOM 0 HB2 LYS A 56 14.191 7.109 14.543 1.00 0.56 H new ATOM 0 HB3 LYS A 56 13.363 5.602 14.879 1.00 0.56 H new ATOM 0 HG2 LYS A 56 11.212 6.510 14.250 1.00 0.79 H new ATOM 0 HG3 LYS A 56 11.793 8.162 14.330 1.00 0.79 H new ATOM 0 HD2 LYS A 56 13.342 7.708 12.397 1.00 0.90 H new ATOM 0 HD3 LYS A 56 12.754 6.058 12.316 1.00 0.90 H new ATOM 0 HE2 LYS A 56 10.961 8.524 12.040 1.00 1.10 H new ATOM 0 HE3 LYS A 56 11.612 7.632 10.679 1.00 1.10 H new ATOM 0 HZ1 LYS A 56 9.522 6.691 11.034 1.00 1.67 H new ATOM 0 HZ2 LYS A 56 10.564 5.591 11.799 1.00 1.67 H new ATOM 0 HZ3 LYS A 56 9.677 6.703 12.725 1.00 1.67 H new ATOM 910 N PRO A 57 13.919 6.499 18.584 1.00 0.48 N ATOM 911 CA PRO A 57 14.833 5.846 19.583 1.00 0.53 C ATOM 912 C PRO A 57 14.948 4.320 19.439 1.00 0.56 C ATOM 913 O PRO A 57 15.799 3.709 20.059 1.00 0.67 O ATOM 914 CB PRO A 57 14.221 6.188 20.946 1.00 0.69 C ATOM 915 CG PRO A 57 13.318 7.354 20.708 1.00 0.75 C ATOM 916 CD PRO A 57 12.862 7.273 19.251 1.00 0.64 C ATOM 0 HA PRO A 57 15.850 6.212 19.440 1.00 0.53 H new ATOM 0 HB2 PRO A 57 13.667 5.340 21.349 1.00 0.69 H new ATOM 0 HB3 PRO A 57 14.996 6.436 21.671 1.00 0.69 H new ATOM 0 HG2 PRO A 57 12.462 7.324 21.383 1.00 0.75 H new ATOM 0 HG3 PRO A 57 13.840 8.292 20.898 1.00 0.75 H new ATOM 0 HD2 PRO A 57 11.893 6.781 19.164 1.00 0.64 H new ATOM 0 HD3 PRO A 57 12.757 8.265 18.811 1.00 0.64 H new ATOM 924 N HIS A 58 14.129 3.691 18.648 1.00 0.49 N ATOM 925 CA HIS A 58 14.245 2.205 18.514 1.00 0.52 C ATOM 926 C HIS A 58 15.021 1.870 17.230 1.00 0.42 C ATOM 927 O HIS A 58 14.441 1.655 16.187 1.00 0.40 O ATOM 928 CB HIS A 58 12.845 1.595 18.466 1.00 0.61 C ATOM 929 CG HIS A 58 12.114 1.891 19.752 1.00 0.77 C ATOM 930 ND1 HIS A 58 11.123 2.790 20.052 1.00 0.89 N flip ATOM 931 CD2 HIS A 58 12.369 1.203 20.933 1.00 0.88 C flip ATOM 932 CE1 HIS A 58 10.763 2.668 21.390 1.00 1.01 C flip ATOM 933 NE2 HIS A 58 11.543 1.699 21.875 1.00 1.02 N flip ATOM 0 H HIS A 58 13.393 4.128 18.094 1.00 0.49 H new ATOM 0 HA HIS A 58 14.782 1.792 19.368 1.00 0.52 H new ATOM 0 HB2 HIS A 58 12.290 2.001 17.620 1.00 0.61 H new ATOM 0 HB3 HIS A 58 12.913 0.518 18.315 1.00 0.61 H new ATOM 0 HD1 HIS A 58 10.711 3.450 19.392 1.00 0.89 H new ATOM 0 HD2 HIS A 58 13.096 0.416 21.070 1.00 0.88 H new ATOM 0 HE1 HIS A 58 10.014 3.235 21.922 1.00 1.01 H new ATOM 941 N LYS A 59 16.331 1.844 17.301 1.00 0.49 N ATOM 942 CA LYS A 59 17.138 1.544 16.085 1.00 0.54 C ATOM 943 C LYS A 59 17.260 0.031 15.896 1.00 0.54 C ATOM 944 O LYS A 59 17.710 -0.681 16.769 1.00 0.61 O ATOM 945 CB LYS A 59 18.547 2.122 16.231 1.00 0.74 C ATOM 946 CG LYS A 59 18.489 3.633 16.462 1.00 0.62 C ATOM 947 CD LYS A 59 19.918 4.159 16.614 1.00 1.16 C ATOM 948 CE LYS A 59 19.896 5.658 16.907 1.00 1.79 C ATOM 949 NZ LYS A 59 19.205 5.907 18.202 1.00 2.52 N ATOM 0 H LYS A 59 16.871 2.018 18.148 1.00 0.49 H new ATOM 0 HA LYS A 59 16.638 1.991 15.226 1.00 0.54 H new ATOM 0 HB2 LYS A 59 19.058 1.641 17.065 1.00 0.74 H new ATOM 0 HB3 LYS A 59 19.128 1.908 15.334 1.00 0.74 H new ATOM 0 HG2 LYS A 59 17.992 4.125 15.626 1.00 0.62 H new ATOM 0 HG3 LYS A 59 17.906 3.857 17.356 1.00 0.62 H new ATOM 0 HD2 LYS A 59 20.425 3.630 17.421 1.00 1.16 H new ATOM 0 HD3 LYS A 59 20.484 3.967 15.702 1.00 1.16 H new ATOM 0 HE2 LYS A 59 20.914 6.045 16.947 1.00 1.79 H new ATOM 0 HE3 LYS A 59 19.385 6.188 16.103 1.00 1.79 H new ATOM 0 HZ1 LYS A 59 19.476 6.843 18.566 1.00 2.52 H new ATOM 0 HZ2 LYS A 59 18.176 5.876 18.058 1.00 2.52 H new ATOM 0 HZ3 LYS A 59 19.480 5.176 18.889 1.00 2.52 H new ATOM 963 N CYS A 60 16.876 -0.446 14.755 1.00 0.54 N ATOM 964 CA CYS A 60 16.968 -1.900 14.462 1.00 0.55 C ATOM 965 C CYS A 60 18.412 -2.396 14.695 1.00 0.75 C ATOM 966 O CYS A 60 18.733 -2.807 15.788 1.00 0.89 O ATOM 967 CB CYS A 60 16.501 -2.106 13.014 1.00 0.54 C ATOM 968 SG CYS A 60 17.223 -3.588 12.282 1.00 0.61 S ATOM 0 H CYS A 60 16.494 0.118 13.996 1.00 0.54 H new ATOM 0 HA CYS A 60 16.332 -2.485 15.127 1.00 0.55 H new ATOM 0 HB2 CYS A 60 15.414 -2.181 12.990 1.00 0.54 H new ATOM 0 HB3 CYS A 60 16.774 -1.236 12.417 1.00 0.54 H new ATOM 0 HG CYS A 60 16.351 -4.156 11.503 1.00 0.61 H new ATOM 973 N GLN A 61 19.274 -2.344 13.694 1.00 0.82 N ATOM 974 CA GLN A 61 20.726 -2.790 13.845 1.00 1.04 C ATOM 975 C GLN A 61 21.032 -3.929 12.876 1.00 1.10 C ATOM 976 O GLN A 61 22.172 -4.328 12.691 1.00 1.28 O ATOM 977 CB GLN A 61 21.039 -3.302 15.253 1.00 1.14 C ATOM 978 CG GLN A 61 21.016 -2.137 16.243 1.00 1.21 C ATOM 979 CD GLN A 61 22.454 -1.734 16.602 1.00 1.47 C ATOM 980 OE1 GLN A 61 22.970 -2.133 17.625 1.00 1.64 O ATOM 981 NE2 GLN A 61 23.128 -0.960 15.792 1.00 1.85 N ATOM 0 H GLN A 61 19.036 -2.007 12.761 1.00 0.82 H new ATOM 0 HA GLN A 61 21.335 -1.910 13.637 1.00 1.04 H new ATOM 0 HB2 GLN A 61 20.309 -4.056 15.547 1.00 1.14 H new ATOM 0 HB3 GLN A 61 22.017 -3.784 15.266 1.00 1.14 H new ATOM 0 HG2 GLN A 61 20.488 -1.288 15.808 1.00 1.21 H new ATOM 0 HG3 GLN A 61 20.473 -2.423 17.144 1.00 1.21 H new ATOM 0 HE21 GLN A 61 22.696 -0.623 14.931 1.00 1.85 H new ATOM 0 HE22 GLN A 61 24.085 -0.693 16.021 1.00 1.85 H new ATOM 990 N VAL A 62 20.025 -4.449 12.270 1.00 0.95 N ATOM 991 CA VAL A 62 20.190 -5.556 11.315 1.00 1.03 C ATOM 992 C VAL A 62 20.283 -4.979 9.916 1.00 1.14 C ATOM 993 O VAL A 62 21.199 -5.254 9.165 1.00 1.35 O ATOM 994 CB VAL A 62 18.939 -6.419 11.433 1.00 0.87 C ATOM 995 CG1 VAL A 62 19.119 -7.748 10.675 1.00 0.99 C ATOM 996 CG2 VAL A 62 18.694 -6.680 12.928 1.00 0.84 C ATOM 0 H VAL A 62 19.061 -4.143 12.400 1.00 0.95 H new ATOM 0 HA VAL A 62 21.088 -6.140 11.517 1.00 1.03 H new ATOM 0 HB VAL A 62 18.085 -5.907 10.990 1.00 0.87 H new ATOM 0 HG11 VAL A 62 18.214 -8.348 10.773 1.00 0.99 H new ATOM 0 HG12 VAL A 62 19.307 -7.543 9.621 1.00 0.99 H new ATOM 0 HG13 VAL A 62 19.964 -8.294 11.094 1.00 0.99 H new ATOM 0 HG21 VAL A 62 17.803 -7.297 13.049 1.00 0.84 H new ATOM 0 HG22 VAL A 62 19.554 -7.198 13.353 1.00 0.84 H new ATOM 0 HG23 VAL A 62 18.551 -5.731 13.444 1.00 0.84 H new ATOM 1006 N CYS A 63 19.317 -4.178 9.565 1.00 1.05 N ATOM 1007 CA CYS A 63 19.287 -3.555 8.218 1.00 1.21 C ATOM 1008 C CYS A 63 19.598 -2.048 8.323 1.00 1.23 C ATOM 1009 O CYS A 63 19.814 -1.379 7.327 1.00 1.48 O ATOM 1010 CB CYS A 63 17.894 -3.778 7.633 1.00 1.19 C ATOM 1011 SG CYS A 63 16.680 -2.845 8.588 1.00 1.02 S ATOM 0 H CYS A 63 18.534 -3.926 10.168 1.00 1.05 H new ATOM 0 HA CYS A 63 20.041 -4.004 7.571 1.00 1.21 H new ATOM 0 HB2 CYS A 63 17.872 -3.462 6.590 1.00 1.19 H new ATOM 0 HB3 CYS A 63 17.647 -4.840 7.650 1.00 1.19 H new ATOM 0 HG CYS A 63 16.819 -3.118 9.851 1.00 1.02 H new ATOM 1016 N GLY A 64 19.660 -1.520 9.522 1.00 1.03 N ATOM 1017 CA GLY A 64 20.005 -0.074 9.706 1.00 1.06 C ATOM 1018 C GLY A 64 18.782 0.859 9.597 1.00 0.96 C ATOM 1019 O GLY A 64 18.912 1.986 9.167 1.00 0.97 O ATOM 0 H GLY A 64 19.485 -2.032 10.387 1.00 1.03 H new ATOM 0 HA2 GLY A 64 20.471 0.061 10.682 1.00 1.06 H new ATOM 0 HA3 GLY A 64 20.743 0.215 8.958 1.00 1.06 H new ATOM 1023 N LYS A 65 17.610 0.439 10.014 1.00 0.89 N ATOM 1024 CA LYS A 65 16.424 1.365 9.949 1.00 0.87 C ATOM 1025 C LYS A 65 16.055 1.770 11.384 1.00 0.71 C ATOM 1026 O LYS A 65 16.665 1.309 12.330 1.00 0.62 O ATOM 1027 CB LYS A 65 15.231 0.671 9.267 1.00 0.89 C ATOM 1028 CG LYS A 65 14.508 1.678 8.360 1.00 1.11 C ATOM 1029 CD LYS A 65 13.272 1.029 7.728 1.00 1.20 C ATOM 1030 CE LYS A 65 12.804 1.880 6.542 1.00 1.42 C ATOM 1031 NZ LYS A 65 12.919 3.326 6.892 1.00 2.50 N ATOM 0 H LYS A 65 17.421 -0.489 10.392 1.00 0.89 H new ATOM 0 HA LYS A 65 16.675 2.248 9.361 1.00 0.87 H new ATOM 0 HB2 LYS A 65 15.577 -0.180 8.681 1.00 0.89 H new ATOM 0 HB3 LYS A 65 14.544 0.282 10.018 1.00 0.89 H new ATOM 0 HG2 LYS A 65 14.212 2.553 8.939 1.00 1.11 H new ATOM 0 HG3 LYS A 65 15.184 2.026 7.579 1.00 1.11 H new ATOM 0 HD2 LYS A 65 13.508 0.018 7.395 1.00 1.20 H new ATOM 0 HD3 LYS A 65 12.474 0.943 8.466 1.00 1.20 H new ATOM 0 HE2 LYS A 65 13.407 1.659 5.661 1.00 1.42 H new ATOM 0 HE3 LYS A 65 11.772 1.637 6.291 1.00 1.42 H new ATOM 0 HZ1 LYS A 65 12.322 3.887 6.251 1.00 2.50 H new ATOM 0 HZ2 LYS A 65 12.605 3.472 7.873 1.00 2.50 H new ATOM 0 HZ3 LYS A 65 13.909 3.629 6.797 1.00 2.50 H new ATOM 1045 N ALA A 66 15.114 2.663 11.573 1.00 0.73 N ATOM 1046 CA ALA A 66 14.786 3.111 12.962 1.00 0.65 C ATOM 1047 C ALA A 66 13.275 3.220 13.182 1.00 0.64 C ATOM 1048 O ALA A 66 12.505 3.327 12.251 1.00 0.80 O ATOM 1049 CB ALA A 66 15.408 4.486 13.185 1.00 0.78 C ATOM 0 H ALA A 66 14.563 3.098 10.833 1.00 0.73 H new ATOM 0 HA ALA A 66 15.180 2.374 13.661 1.00 0.65 H new ATOM 0 HB1 ALA A 66 15.179 4.830 14.194 1.00 0.78 H new ATOM 0 HB2 ALA A 66 16.489 4.421 13.060 1.00 0.78 H new ATOM 0 HB3 ALA A 66 15.001 5.191 12.460 1.00 0.78 H new ATOM 1055 N PHE A 67 12.846 3.130 14.422 1.00 0.56 N ATOM 1056 CA PHE A 67 11.377 3.173 14.697 1.00 0.71 C ATOM 1057 C PHE A 67 11.002 4.028 15.906 1.00 0.73 C ATOM 1058 O PHE A 67 11.719 4.129 16.883 1.00 0.63 O ATOM 1059 CB PHE A 67 10.906 1.744 14.913 1.00 0.79 C ATOM 1060 CG PHE A 67 11.317 0.974 13.698 1.00 0.73 C ATOM 1061 CD1 PHE A 67 10.483 0.955 12.579 1.00 0.57 C ATOM 1062 CD2 PHE A 67 12.552 0.322 13.670 1.00 0.96 C ATOM 1063 CE1 PHE A 67 10.882 0.274 11.428 1.00 0.59 C ATOM 1064 CE2 PHE A 67 12.956 -0.352 12.515 1.00 0.99 C ATOM 1065 CZ PHE A 67 12.119 -0.375 11.395 1.00 0.79 C ATOM 0 H PHE A 67 13.443 3.030 15.243 1.00 0.56 H new ATOM 0 HA PHE A 67 10.889 3.640 13.841 1.00 0.71 H new ATOM 0 HB2 PHE A 67 11.354 1.319 15.811 1.00 0.79 H new ATOM 0 HB3 PHE A 67 9.825 1.708 15.048 1.00 0.79 H new ATOM 0 HD1 PHE A 67 9.532 1.466 12.604 1.00 0.57 H new ATOM 0 HD2 PHE A 67 13.193 0.339 14.539 1.00 0.96 H new ATOM 0 HE1 PHE A 67 10.235 0.249 10.563 1.00 0.59 H new ATOM 0 HE2 PHE A 67 13.912 -0.854 12.487 1.00 0.99 H new ATOM 0 HZ PHE A 67 12.430 -0.896 10.502 1.00 0.79 H new ATOM 1075 N SER A 68 9.841 4.629 15.821 1.00 0.90 N ATOM 1076 CA SER A 68 9.323 5.475 16.931 1.00 0.98 C ATOM 1077 C SER A 68 8.698 4.585 17.997 1.00 1.07 C ATOM 1078 O SER A 68 8.626 4.949 19.154 1.00 1.19 O ATOM 1079 CB SER A 68 8.236 6.420 16.400 1.00 1.17 C ATOM 1080 OG SER A 68 8.841 7.505 15.718 1.00 1.39 O ATOM 0 H SER A 68 9.222 4.565 15.013 1.00 0.90 H new ATOM 0 HA SER A 68 10.148 6.050 17.350 1.00 0.98 H new ATOM 0 HB2 SER A 68 7.569 5.881 15.727 1.00 1.17 H new ATOM 0 HB3 SER A 68 7.627 6.790 17.225 1.00 1.17 H new ATOM 0 HG SER A 68 9.561 7.877 16.269 1.00 1.39 H new ATOM 1086 N GLN A 69 8.209 3.425 17.620 1.00 1.10 N ATOM 1087 CA GLN A 69 7.562 2.552 18.637 1.00 1.22 C ATOM 1088 C GLN A 69 8.271 1.201 18.730 1.00 1.12 C ATOM 1089 O GLN A 69 8.722 0.643 17.742 1.00 1.07 O ATOM 1090 CB GLN A 69 6.107 2.315 18.240 1.00 1.43 C ATOM 1091 CG GLN A 69 5.520 3.600 17.653 1.00 1.78 C ATOM 1092 CD GLN A 69 4.036 3.388 17.361 1.00 2.22 C ATOM 1093 OE1 GLN A 69 3.363 2.674 18.080 1.00 2.31 O ATOM 1094 NE2 GLN A 69 3.498 3.975 16.331 1.00 3.01 N ATOM 0 H GLN A 69 8.231 3.056 16.669 1.00 1.10 H new ATOM 0 HA GLN A 69 7.622 3.049 19.605 1.00 1.22 H new ATOM 0 HB2 GLN A 69 6.045 1.508 17.510 1.00 1.43 H new ATOM 0 HB3 GLN A 69 5.528 2.003 19.109 1.00 1.43 H new ATOM 0 HG2 GLN A 69 5.651 4.426 18.352 1.00 1.78 H new ATOM 0 HG3 GLN A 69 6.048 3.870 16.738 1.00 1.78 H new ATOM 0 HE21 GLN A 69 4.066 4.573 15.731 1.00 3.01 H new ATOM 0 HE22 GLN A 69 2.509 3.837 16.124 1.00 3.01 H new ATOM 1103 N SER A 70 8.351 0.662 19.908 1.00 1.15 N ATOM 1104 CA SER A 70 9.002 -0.652 20.056 1.00 1.11 C ATOM 1105 C SER A 70 8.176 -1.696 19.316 1.00 1.17 C ATOM 1106 O SER A 70 8.706 -2.525 18.634 1.00 1.10 O ATOM 1107 CB SER A 70 9.089 -1.056 21.525 1.00 1.25 C ATOM 1108 OG SER A 70 9.697 -0.016 22.272 1.00 1.45 O ATOM 0 H SER A 70 7.994 1.076 20.769 1.00 1.15 H new ATOM 0 HA SER A 70 10.010 -0.588 19.647 1.00 1.11 H new ATOM 0 HB2 SER A 70 8.092 -1.262 21.915 1.00 1.25 H new ATOM 0 HB3 SER A 70 9.667 -1.975 21.626 1.00 1.25 H new ATOM 0 HG SER A 70 10.638 0.068 22.010 1.00 1.45 H new ATOM 1114 N SER A 71 6.877 -1.651 19.433 1.00 1.34 N ATOM 1115 CA SER A 71 6.039 -2.658 18.729 1.00 1.43 C ATOM 1116 C SER A 71 6.468 -2.710 17.274 1.00 1.30 C ATOM 1117 O SER A 71 6.621 -3.771 16.704 1.00 1.29 O ATOM 1118 CB SER A 71 4.570 -2.260 18.807 1.00 1.67 C ATOM 1119 OG SER A 71 4.227 -2.009 20.160 1.00 1.71 O ATOM 0 H SER A 71 6.363 -0.963 19.983 1.00 1.34 H new ATOM 0 HA SER A 71 6.166 -3.634 19.198 1.00 1.43 H new ATOM 0 HB2 SER A 71 4.389 -1.371 18.202 1.00 1.67 H new ATOM 0 HB3 SER A 71 3.943 -3.054 18.402 1.00 1.67 H new ATOM 0 HG SER A 71 3.283 -1.751 20.216 1.00 1.71 H new ATOM 1125 N ASN A 72 6.673 -1.588 16.654 1.00 1.24 N ATOM 1126 CA ASN A 72 7.097 -1.632 15.240 1.00 1.17 C ATOM 1127 C ASN A 72 8.526 -2.188 15.171 1.00 0.96 C ATOM 1128 O ASN A 72 8.866 -2.914 14.259 1.00 0.91 O ATOM 1129 CB ASN A 72 7.000 -0.226 14.627 1.00 1.20 C ATOM 1130 CG ASN A 72 5.570 0.299 14.819 1.00 1.48 C ATOM 1131 OD1 ASN A 72 4.766 -0.345 15.456 1.00 1.63 O ATOM 1132 ND2 ASN A 72 5.211 1.444 14.295 1.00 2.21 N ATOM 0 H ASN A 72 6.567 -0.658 17.059 1.00 1.24 H new ATOM 0 HA ASN A 72 6.444 -2.287 14.663 1.00 1.17 H new ATOM 0 HB2 ASN A 72 7.715 0.444 15.104 1.00 1.20 H new ATOM 0 HB3 ASN A 72 7.251 -0.258 13.567 1.00 1.20 H new ATOM 0 HD21 ASN A 72 4.260 1.788 14.425 1.00 2.21 H new ATOM 0 HD22 ASN A 72 5.883 1.992 13.757 1.00 2.21 H new ATOM 1139 N LEU A 73 9.358 -1.914 16.147 1.00 0.85 N ATOM 1140 CA LEU A 73 10.730 -2.502 16.110 1.00 0.66 C ATOM 1141 C LEU A 73 10.638 -4.001 16.433 1.00 0.71 C ATOM 1142 O LEU A 73 11.195 -4.811 15.737 1.00 0.62 O ATOM 1143 CB LEU A 73 11.663 -1.795 17.104 1.00 0.62 C ATOM 1144 CG LEU A 73 12.930 -2.636 17.340 1.00 0.51 C ATOM 1145 CD1 LEU A 73 13.757 -2.721 16.052 1.00 0.42 C ATOM 1146 CD2 LEU A 73 13.776 -1.982 18.434 1.00 0.67 C ATOM 0 H LEU A 73 9.151 -1.321 16.951 1.00 0.85 H new ATOM 0 HA LEU A 73 11.149 -2.365 15.113 1.00 0.66 H new ATOM 0 HB2 LEU A 73 11.937 -0.812 16.720 1.00 0.62 H new ATOM 0 HB3 LEU A 73 11.144 -1.634 18.049 1.00 0.62 H new ATOM 0 HG LEU A 73 12.636 -3.640 17.644 1.00 0.51 H new ATOM 0 HD11 LEU A 73 14.651 -3.319 16.232 1.00 0.42 H new ATOM 0 HD12 LEU A 73 13.161 -3.187 15.267 1.00 0.42 H new ATOM 0 HD13 LEU A 73 14.048 -1.718 15.740 1.00 0.42 H new ATOM 0 HD21 LEU A 73 14.674 -2.576 18.603 1.00 0.67 H new ATOM 0 HD22 LEU A 73 14.059 -0.976 18.123 1.00 0.67 H new ATOM 0 HD23 LEU A 73 13.198 -1.927 19.357 1.00 0.67 H new ATOM 1158 N ILE A 74 9.926 -4.384 17.455 1.00 0.88 N ATOM 1159 CA ILE A 74 9.781 -5.834 17.774 1.00 0.96 C ATOM 1160 C ILE A 74 9.249 -6.549 16.530 1.00 0.94 C ATOM 1161 O ILE A 74 9.826 -7.514 16.071 1.00 0.87 O ATOM 1162 CB ILE A 74 8.790 -6.001 18.937 1.00 1.22 C ATOM 1163 CG1 ILE A 74 9.322 -5.238 20.159 1.00 1.29 C ATOM 1164 CG2 ILE A 74 8.641 -7.486 19.294 1.00 1.35 C ATOM 1165 CD1 ILE A 74 8.333 -5.351 21.325 1.00 1.54 C ATOM 0 H ILE A 74 9.435 -3.752 18.088 1.00 0.88 H new ATOM 0 HA ILE A 74 10.742 -6.259 18.064 1.00 0.96 H new ATOM 0 HB ILE A 74 7.818 -5.607 18.641 1.00 1.22 H new ATOM 0 HG12 ILE A 74 10.291 -5.640 20.454 1.00 1.29 H new ATOM 0 HG13 ILE A 74 9.476 -4.190 19.904 1.00 1.29 H new ATOM 0 HG21 ILE A 74 7.937 -7.593 20.119 1.00 1.35 H new ATOM 0 HG22 ILE A 74 8.270 -8.033 18.427 1.00 1.35 H new ATOM 0 HG23 ILE A 74 9.610 -7.888 19.590 1.00 1.35 H new ATOM 0 HD11 ILE A 74 8.721 -4.806 22.186 1.00 1.54 H new ATOM 0 HD12 ILE A 74 7.373 -4.927 21.030 1.00 1.54 H new ATOM 0 HD13 ILE A 74 8.201 -6.400 21.589 1.00 1.54 H new ATOM 1177 N THR A 75 8.168 -6.082 15.967 1.00 1.05 N ATOM 1178 CA THR A 75 7.651 -6.748 14.745 1.00 1.11 C ATOM 1179 C THR A 75 8.741 -6.694 13.675 1.00 0.92 C ATOM 1180 O THR A 75 9.055 -7.672 13.024 1.00 0.91 O ATOM 1181 CB THR A 75 6.402 -6.012 14.255 1.00 1.32 C ATOM 1182 OG1 THR A 75 5.438 -6.000 15.300 1.00 1.51 O ATOM 1183 CG2 THR A 75 5.821 -6.727 13.028 1.00 1.46 C ATOM 0 H THR A 75 7.630 -5.281 16.296 1.00 1.05 H new ATOM 0 HA THR A 75 7.388 -7.784 14.957 1.00 1.11 H new ATOM 0 HB THR A 75 6.664 -4.991 13.977 1.00 1.32 H new ATOM 0 HG1 THR A 75 5.651 -5.283 15.933 1.00 1.51 H new ATOM 0 HG21 THR A 75 4.932 -6.197 12.685 1.00 1.46 H new ATOM 0 HG22 THR A 75 6.564 -6.743 12.231 1.00 1.46 H new ATOM 0 HG23 THR A 75 5.553 -7.749 13.295 1.00 1.46 H new ATOM 1191 N HIS A 76 9.310 -5.537 13.487 1.00 0.82 N ATOM 1192 CA HIS A 76 10.375 -5.365 12.465 1.00 0.70 C ATOM 1193 C HIS A 76 11.511 -6.391 12.711 1.00 0.50 C ATOM 1194 O HIS A 76 11.946 -7.104 11.808 1.00 0.48 O ATOM 1195 CB HIS A 76 10.884 -3.913 12.583 1.00 0.68 C ATOM 1196 CG HIS A 76 12.072 -3.700 11.707 1.00 0.61 C ATOM 1197 ND1 HIS A 76 11.982 -3.116 10.436 1.00 0.79 N ATOM 1198 CD2 HIS A 76 13.380 -4.057 11.869 1.00 0.48 C ATOM 1199 CE1 HIS A 76 13.214 -3.164 9.886 1.00 0.78 C ATOM 1200 NE2 HIS A 76 14.063 -3.719 10.730 1.00 0.61 N ATOM 0 H HIS A 76 9.077 -4.691 14.007 1.00 0.82 H new ATOM 0 HA HIS A 76 9.998 -5.543 11.458 1.00 0.70 H new ATOM 0 HB2 HIS A 76 10.090 -3.220 12.303 1.00 0.68 H new ATOM 0 HB3 HIS A 76 11.146 -3.697 13.619 1.00 0.68 H new ATOM 0 HD1 HIS A 76 11.142 -2.727 10.007 1.00 0.79 H new ATOM 0 HD2 HIS A 76 13.804 -4.526 12.745 1.00 0.48 H new ATOM 0 HE1 HIS A 76 13.467 -2.802 8.901 1.00 0.78 H new ATOM 1208 N SER A 77 11.991 -6.494 13.927 1.00 0.43 N ATOM 1209 CA SER A 77 13.074 -7.476 14.205 1.00 0.34 C ATOM 1210 C SER A 77 12.510 -8.892 14.059 1.00 0.39 C ATOM 1211 O SER A 77 13.206 -9.807 13.669 1.00 0.38 O ATOM 1212 CB SER A 77 13.635 -7.284 15.616 1.00 0.48 C ATOM 1213 OG SER A 77 14.641 -8.265 15.841 1.00 0.66 O ATOM 0 H SER A 77 11.681 -5.945 14.728 1.00 0.43 H new ATOM 0 HA SER A 77 13.885 -7.321 13.494 1.00 0.34 H new ATOM 0 HB2 SER A 77 14.052 -6.283 15.725 1.00 0.48 H new ATOM 0 HB3 SER A 77 12.840 -7.380 16.356 1.00 0.48 H new ATOM 0 HG SER A 77 15.011 -8.153 16.742 1.00 0.66 H new ATOM 1219 N ARG A 78 11.240 -9.077 14.357 1.00 0.54 N ATOM 1220 CA ARG A 78 10.635 -10.432 14.208 1.00 0.60 C ATOM 1221 C ARG A 78 10.745 -10.803 12.739 1.00 0.54 C ATOM 1222 O ARG A 78 10.915 -11.950 12.385 1.00 0.53 O ATOM 1223 CB ARG A 78 9.164 -10.421 14.637 1.00 0.82 C ATOM 1224 CG ARG A 78 9.074 -10.447 16.166 1.00 0.96 C ATOM 1225 CD ARG A 78 7.608 -10.540 16.593 1.00 1.16 C ATOM 1226 NE ARG A 78 7.123 -11.931 16.383 1.00 1.48 N ATOM 1227 CZ ARG A 78 6.025 -12.334 16.962 1.00 1.92 C ATOM 1228 NH1 ARG A 78 5.344 -11.515 17.715 1.00 1.98 N ATOM 1229 NH2 ARG A 78 5.606 -13.558 16.786 1.00 2.75 N ATOM 0 H ARG A 78 10.607 -8.351 14.693 1.00 0.54 H new ATOM 0 HA ARG A 78 11.153 -11.154 14.839 1.00 0.60 H new ATOM 0 HB2 ARG A 78 8.668 -9.531 14.249 1.00 0.82 H new ATOM 0 HB3 ARG A 78 8.646 -11.283 14.217 1.00 0.82 H new ATOM 0 HG2 ARG A 78 9.632 -11.297 16.559 1.00 0.96 H new ATOM 0 HG3 ARG A 78 9.528 -9.548 16.582 1.00 0.96 H new ATOM 0 HD2 ARG A 78 7.504 -10.261 17.641 1.00 1.16 H new ATOM 0 HD3 ARG A 78 7.004 -9.841 16.015 1.00 1.16 H new ATOM 0 HE ARG A 78 7.649 -12.570 15.786 1.00 1.48 H new ATOM 0 HH11 ARG A 78 5.669 -10.558 17.852 1.00 1.98 H new ATOM 0 HH12 ARG A 78 4.486 -11.832 18.167 1.00 1.98 H new ATOM 0 HH21 ARG A 78 6.137 -14.199 16.196 1.00 2.75 H new ATOM 0 HH22 ARG A 78 4.748 -13.873 17.238 1.00 2.75 H new ATOM 1243 N LYS A 79 10.685 -9.827 11.874 1.00 0.59 N ATOM 1244 CA LYS A 79 10.838 -10.141 10.434 1.00 0.68 C ATOM 1245 C LYS A 79 12.278 -10.606 10.222 1.00 0.59 C ATOM 1246 O LYS A 79 12.519 -11.615 9.592 1.00 0.70 O ATOM 1247 CB LYS A 79 10.533 -8.919 9.562 1.00 0.82 C ATOM 1248 CG LYS A 79 9.036 -8.598 9.656 1.00 1.08 C ATOM 1249 CD LYS A 79 8.724 -7.324 8.866 1.00 1.25 C ATOM 1250 CE LYS A 79 7.205 -7.116 8.812 1.00 1.74 C ATOM 1251 NZ LYS A 79 6.670 -6.948 10.195 1.00 2.64 N ATOM 0 H LYS A 79 10.539 -8.843 12.101 1.00 0.59 H new ATOM 0 HA LYS A 79 10.132 -10.919 10.143 1.00 0.68 H new ATOM 0 HB2 LYS A 79 11.123 -8.064 9.893 1.00 0.82 H new ATOM 0 HB3 LYS A 79 10.811 -9.117 8.527 1.00 0.82 H new ATOM 0 HG2 LYS A 79 8.452 -9.431 9.265 1.00 1.08 H new ATOM 0 HG3 LYS A 79 8.748 -8.469 10.699 1.00 1.08 H new ATOM 0 HD2 LYS A 79 9.203 -6.465 9.336 1.00 1.25 H new ATOM 0 HD3 LYS A 79 9.128 -7.401 7.856 1.00 1.25 H new ATOM 0 HE2 LYS A 79 6.970 -6.237 8.212 1.00 1.74 H new ATOM 0 HE3 LYS A 79 6.729 -7.969 8.329 1.00 1.74 H new ATOM 0 HZ1 LYS A 79 5.765 -6.437 10.157 1.00 2.64 H new ATOM 0 HZ2 LYS A 79 6.522 -7.883 10.626 1.00 2.64 H new ATOM 0 HZ3 LYS A 79 7.350 -6.407 10.767 1.00 2.64 H new ATOM 1265 N HIS A 80 13.250 -9.910 10.763 1.00 0.45 N ATOM 1266 CA HIS A 80 14.647 -10.412 10.569 1.00 0.50 C ATOM 1267 C HIS A 80 14.767 -11.817 11.167 1.00 0.48 C ATOM 1268 O HIS A 80 15.004 -12.782 10.467 1.00 0.59 O ATOM 1269 CB HIS A 80 15.677 -9.542 11.286 1.00 0.50 C ATOM 1270 CG HIS A 80 15.804 -8.209 10.620 1.00 0.57 C ATOM 1271 ND1 HIS A 80 15.975 -8.051 9.238 1.00 0.77 N ATOM 1272 CD2 HIS A 80 15.791 -6.957 11.144 1.00 0.52 C ATOM 1273 CE1 HIS A 80 16.052 -6.725 8.992 1.00 0.83 C ATOM 1274 NE2 HIS A 80 15.956 -6.050 10.128 1.00 0.67 N ATOM 0 H HIS A 80 13.146 -9.054 11.307 1.00 0.45 H new ATOM 0 HA HIS A 80 14.842 -10.399 9.497 1.00 0.50 H new ATOM 0 HB2 HIS A 80 15.383 -9.407 12.327 1.00 0.50 H new ATOM 0 HB3 HIS A 80 16.644 -10.045 11.290 1.00 0.50 H new ATOM 0 HD1 HIS A 80 16.031 -8.799 8.546 1.00 0.77 H new ATOM 0 HD2 HIS A 80 15.671 -6.715 12.190 1.00 0.52 H new ATOM 0 HE1 HIS A 80 16.174 -6.281 8.015 1.00 0.83 H new ATOM 1282 N THR A 81 14.638 -11.924 12.470 1.00 0.42 N ATOM 1283 CA THR A 81 14.784 -13.254 13.135 1.00 0.50 C ATOM 1284 C THR A 81 13.826 -14.265 12.501 1.00 0.50 C ATOM 1285 O THR A 81 14.230 -15.318 12.049 1.00 0.60 O ATOM 1286 CB THR A 81 14.485 -13.126 14.638 1.00 0.59 C ATOM 1287 OG1 THR A 81 15.344 -12.151 15.214 1.00 0.65 O ATOM 1288 CG2 THR A 81 14.711 -14.475 15.338 1.00 0.75 C ATOM 0 H THR A 81 14.438 -11.146 13.099 1.00 0.42 H new ATOM 0 HA THR A 81 15.808 -13.603 13.003 1.00 0.50 H new ATOM 0 HB THR A 81 13.446 -12.824 14.766 1.00 0.59 H new ATOM 0 HG1 THR A 81 15.151 -12.070 16.171 1.00 0.65 H new ATOM 0 HG21 THR A 81 14.497 -14.373 16.402 1.00 0.75 H new ATOM 0 HG22 THR A 81 14.050 -15.225 14.905 1.00 0.75 H new ATOM 0 HG23 THR A 81 15.748 -14.785 15.205 1.00 0.75 H new ATOM 1296 N GLY A 82 12.558 -13.961 12.466 1.00 0.51 N ATOM 1297 CA GLY A 82 11.576 -14.907 11.856 1.00 0.61 C ATOM 1298 C GLY A 82 10.324 -14.970 12.734 1.00 1.46 C ATOM 0 H GLY A 82 12.157 -13.098 12.833 1.00 0.51 H new ATOM 0 HA2 GLY A 82 11.313 -14.578 10.850 1.00 0.61 H new ATOM 0 HA3 GLY A 82 12.019 -15.899 11.762 1.00 0.61 H new