USER MOD reduce.3.24.130724 H: found=0, std=0, add=739, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 732 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 64 SER OG : rot 180:sc= -0.0476 USER MOD Set 1.2: A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 ASP N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ -113:sc= 1.14 (180deg=-0.883) USER MOD Single : A 5 LYS NZ :NH3+ -170:sc= -1.71 (180deg=-2.27) 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= -1.84 USER MOD Single : A 13 GLN : amide:sc= -0.23 K(o=-0.23,f=-2.3!) USER MOD Single : A 14 LYS NZ :NH3+ -110:sc=-0.00596 (180deg=-0.192) USER MOD Single : A 15 HIS : no HD1:sc= -2.23 K(o=-2.2,f=-0.87) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 HIS : no HD1:sc= -4.22! C(o=-4.2!,f=-3.5!) USER MOD Single : A 27 HIS : no HD1:sc= -1.39 K(o=-1.4,f=-0.44) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 TYR OH : rot 0:sc= -0.66 USER MOD Single : A 33 THR OG1 : rot 76:sc= 0.326 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 HIS : no HD1:sc= -5.3! C(o=-5.3!,f=-7.7!) USER MOD Single : A 49 GLN : amide:sc= -2.87 X(o=-2.9,f=-3.2!) USER MOD Single : A 55 THR OG1 : rot 49:sc= 0.342 USER MOD Single : A 57 ASN : amide:sc= -1.01 K(o=-1,f=-0.23!) USER MOD Single : A 63 HIS : no HD1:sc= -0.575 X(o=-0.58,f=-0.76) USER MOD Single : A 71 SER OG : rot 180:sc= 0.082 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 THR OG1 : rot 72:sc= 1.17 USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 HIS : no HD1:sc= -2.94 K(o=-2.9,f=-7.6!) USER MOD Single : A 85 SER OG : rot 121:sc= 0.375 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 93 THR OG1 : rot 180:sc= 0.00152 USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 -1.484 4.348 13.408 1.00 0.00 N ATOM 2 CA ASP A 1 -2.553 4.932 14.267 1.00 0.00 C ATOM 3 C ASP A 1 -3.770 4.003 14.301 1.00 0.00 C ATOM 4 O ASP A 1 -4.290 3.610 13.274 1.00 0.00 O ATOM 5 CB ASP A 1 -2.911 6.261 13.604 1.00 0.00 C ATOM 6 CG ASP A 1 -3.222 7.302 14.682 1.00 0.00 C ATOM 7 OD1 ASP A 1 -2.567 7.274 15.711 1.00 0.00 O ATOM 8 OD2 ASP A 1 -4.110 8.109 14.460 1.00 0.00 O ATOM 0 H1 ASP A 1 -0.663 4.987 13.392 1.00 0.00 H new ATOM 0 H2 ASP A 1 -1.197 3.425 13.791 1.00 0.00 H new ATOM 0 H3 ASP A 1 -1.845 4.224 12.440 1.00 0.00 H new ATOM 0 HA ASP A 1 -2.227 5.066 15.299 1.00 0.00 H new ATOM 0 HB2 ASP A 1 -2.085 6.603 12.981 1.00 0.00 H new ATOM 0 HB3 ASP A 1 -3.772 6.132 12.949 1.00 0.00 H new ATOM 13 N LYS A 2 -4.252 3.680 15.478 1.00 0.00 N ATOM 14 CA LYS A 2 -5.468 2.809 15.602 1.00 0.00 C ATOM 15 C LYS A 2 -5.293 1.513 14.801 1.00 0.00 C ATOM 16 O LYS A 2 -4.267 1.287 14.189 1.00 0.00 O ATOM 17 CB LYS A 2 -6.624 3.640 15.033 1.00 0.00 C ATOM 18 CG LYS A 2 -7.060 4.682 16.064 1.00 0.00 C ATOM 19 CD LYS A 2 -6.247 5.963 15.871 1.00 0.00 C ATOM 20 CE LYS A 2 -7.098 7.173 16.266 1.00 0.00 C ATOM 21 NZ LYS A 2 -6.351 8.352 15.748 1.00 0.00 N ATOM 0 H LYS A 2 -3.853 3.984 16.366 1.00 0.00 H new ATOM 0 HA LYS A 2 -5.648 2.515 16.636 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -6.313 4.133 14.112 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -7.462 2.991 14.780 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -8.124 4.894 15.955 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -6.914 4.295 17.072 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -5.343 5.927 16.478 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -5.930 6.052 14.832 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -8.095 7.114 15.830 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -7.226 7.230 17.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -6.001 8.919 16.546 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -5.547 8.028 15.174 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -6.983 8.933 15.162 1.00 0.00 H new ATOM 35 N ASP A 3 -6.305 0.683 14.773 1.00 0.00 N ATOM 36 CA ASP A 3 -6.223 -0.580 13.978 1.00 0.00 C ATOM 37 C ASP A 3 -6.629 -0.318 12.526 1.00 0.00 C ATOM 38 O ASP A 3 -7.744 -0.592 12.125 1.00 0.00 O ATOM 39 CB ASP A 3 -7.213 -1.534 14.648 1.00 0.00 C ATOM 40 CG ASP A 3 -6.733 -1.855 16.066 1.00 0.00 C ATOM 41 OD1 ASP A 3 -5.769 -2.592 16.190 1.00 0.00 O ATOM 42 OD2 ASP A 3 -7.338 -1.358 17.002 1.00 0.00 O ATOM 0 H ASP A 3 -7.186 0.826 15.267 1.00 0.00 H new ATOM 0 HA ASP A 3 -5.213 -0.990 13.956 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -8.204 -1.082 14.682 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -7.301 -2.451 14.066 1.00 0.00 H new ATOM 47 N VAL A 4 -5.716 0.177 11.724 1.00 0.00 N ATOM 48 CA VAL A 4 -6.012 0.426 10.274 1.00 0.00 C ATOM 49 C VAL A 4 -7.261 1.309 10.119 1.00 0.00 C ATOM 50 O VAL A 4 -8.380 0.837 10.204 1.00 0.00 O ATOM 51 CB VAL A 4 -6.231 -0.969 9.656 1.00 0.00 C ATOM 52 CG1 VAL A 4 -6.711 -0.843 8.205 1.00 0.00 C ATOM 53 CG2 VAL A 4 -4.910 -1.739 9.671 1.00 0.00 C ATOM 0 H VAL A 4 -4.769 0.422 12.014 1.00 0.00 H new ATOM 0 HA VAL A 4 -5.201 0.958 9.777 1.00 0.00 H new ATOM 0 HB VAL A 4 -6.986 -1.496 10.239 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -6.861 -1.837 7.784 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -7.651 -0.293 8.179 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -5.962 -0.310 7.619 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -5.060 -2.727 9.235 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -4.165 -1.195 9.090 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -4.562 -1.845 10.699 1.00 0.00 H new ATOM 63 N LYS A 5 -7.070 2.559 9.780 1.00 0.00 N ATOM 64 CA LYS A 5 -8.234 3.446 9.489 1.00 0.00 C ATOM 65 C LYS A 5 -8.740 3.180 8.070 1.00 0.00 C ATOM 66 O LYS A 5 -7.975 2.847 7.184 1.00 0.00 O ATOM 67 CB LYS A 5 -7.690 4.871 9.611 1.00 0.00 C ATOM 68 CG LYS A 5 -8.723 5.758 10.309 1.00 0.00 C ATOM 69 CD LYS A 5 -8.572 7.202 9.825 1.00 0.00 C ATOM 70 CE LYS A 5 -9.565 7.471 8.692 1.00 0.00 C ATOM 71 NZ LYS A 5 -9.118 6.596 7.573 1.00 0.00 N ATOM 0 H LYS A 5 -6.156 3.003 9.692 1.00 0.00 H new ATOM 0 HA LYS A 5 -9.070 3.277 10.167 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -6.758 4.868 10.176 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -7.462 5.270 8.622 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -9.729 5.397 10.098 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -8.587 5.710 11.389 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -8.750 7.893 10.649 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -7.553 7.375 9.478 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -10.584 7.234 8.996 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -9.556 8.521 8.400 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -9.640 6.844 6.708 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -8.099 6.730 7.413 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -9.303 5.602 7.815 1.00 0.00 H new ATOM 85 N TYR A 6 -10.022 3.326 7.846 1.00 0.00 N ATOM 86 CA TYR A 6 -10.578 3.086 6.479 1.00 0.00 C ATOM 87 C TYR A 6 -10.334 4.300 5.580 1.00 0.00 C ATOM 88 O TYR A 6 -11.119 5.230 5.552 1.00 0.00 O ATOM 89 CB TYR A 6 -12.075 2.862 6.691 1.00 0.00 C ATOM 90 CG TYR A 6 -12.336 1.391 6.910 1.00 0.00 C ATOM 91 CD1 TYR A 6 -11.916 0.456 5.957 1.00 0.00 C ATOM 92 CD2 TYR A 6 -12.995 0.961 8.069 1.00 0.00 C ATOM 93 CE1 TYR A 6 -12.155 -0.908 6.160 1.00 0.00 C ATOM 94 CE2 TYR A 6 -13.235 -0.403 8.272 1.00 0.00 C ATOM 95 CZ TYR A 6 -12.814 -1.338 7.318 1.00 0.00 C ATOM 96 OH TYR A 6 -13.050 -2.682 7.519 1.00 0.00 O ATOM 0 H TYR A 6 -10.707 3.601 8.550 1.00 0.00 H new ATOM 0 HA TYR A 6 -10.106 2.235 5.988 1.00 0.00 H new ATOM 0 HB2 TYR A 6 -12.422 3.436 7.550 1.00 0.00 H new ATOM 0 HB3 TYR A 6 -12.633 3.217 5.825 1.00 0.00 H new ATOM 0 HD1 TYR A 6 -11.407 0.787 5.064 1.00 0.00 H new ATOM 0 HD2 TYR A 6 -13.318 1.682 8.806 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -11.831 -1.629 5.424 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -13.745 -0.734 9.164 1.00 0.00 H new ATOM 0 HH TYR A 6 -13.516 -2.808 8.372 1.00 0.00 H new ATOM 106 N TYR A 7 -9.287 4.262 4.795 1.00 0.00 N ATOM 107 CA TYR A 7 -9.024 5.373 3.832 1.00 0.00 C ATOM 108 C TYR A 7 -9.914 5.214 2.597 1.00 0.00 C ATOM 109 O TYR A 7 -10.825 4.408 2.583 1.00 0.00 O ATOM 110 CB TYR A 7 -7.548 5.229 3.455 1.00 0.00 C ATOM 111 CG TYR A 7 -6.685 5.652 4.620 1.00 0.00 C ATOM 112 CD1 TYR A 7 -6.793 6.949 5.135 1.00 0.00 C ATOM 113 CD2 TYR A 7 -5.778 4.747 5.183 1.00 0.00 C ATOM 114 CE1 TYR A 7 -5.991 7.341 6.215 1.00 0.00 C ATOM 115 CE2 TYR A 7 -4.976 5.140 6.263 1.00 0.00 C ATOM 116 CZ TYR A 7 -5.084 6.437 6.778 1.00 0.00 C ATOM 117 OH TYR A 7 -4.295 6.824 7.843 1.00 0.00 O ATOM 0 H TYR A 7 -8.601 3.507 4.780 1.00 0.00 H new ATOM 0 HA TYR A 7 -9.239 6.353 4.257 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -7.330 4.196 3.184 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -7.324 5.841 2.582 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -7.494 7.647 4.700 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -5.696 3.746 4.785 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -6.073 8.342 6.613 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -4.275 4.443 6.698 1.00 0.00 H new ATOM 0 HH TYR A 7 -3.722 6.077 8.114 1.00 0.00 H new ATOM 127 N THR A 8 -9.635 5.950 1.551 1.00 0.00 N ATOM 128 CA THR A 8 -10.439 5.812 0.299 1.00 0.00 C ATOM 129 C THR A 8 -9.516 5.703 -0.917 1.00 0.00 C ATOM 130 O THR A 8 -8.310 5.809 -0.805 1.00 0.00 O ATOM 131 CB THR A 8 -11.277 7.090 0.226 1.00 0.00 C ATOM 132 OG1 THR A 8 -10.440 8.216 0.448 1.00 0.00 O ATOM 133 CG2 THR A 8 -12.373 7.045 1.291 1.00 0.00 C ATOM 0 H THR A 8 -8.885 6.640 1.510 1.00 0.00 H new ATOM 0 HA THR A 8 -11.060 4.916 0.304 1.00 0.00 H new ATOM 0 HB THR A 8 -11.737 7.169 -0.759 1.00 0.00 H new ATOM 0 HG1 THR A 8 -10.975 9.036 0.400 1.00 0.00 H new ATOM 0 HG21 THR A 8 -12.969 7.956 1.238 1.00 0.00 H new ATOM 0 HG22 THR A 8 -13.014 6.181 1.117 1.00 0.00 H new ATOM 0 HG23 THR A 8 -11.918 6.966 2.278 1.00 0.00 H new ATOM 141 N LEU A 9 -10.085 5.521 -2.081 1.00 0.00 N ATOM 142 CA LEU A 9 -9.258 5.436 -3.323 1.00 0.00 C ATOM 143 C LEU A 9 -8.924 6.841 -3.835 1.00 0.00 C ATOM 144 O LEU A 9 -7.891 7.058 -4.439 1.00 0.00 O ATOM 145 CB LEU A 9 -10.140 4.693 -4.327 1.00 0.00 C ATOM 146 CG LEU A 9 -9.280 3.762 -5.185 1.00 0.00 C ATOM 147 CD1 LEU A 9 -8.654 2.679 -4.303 1.00 0.00 C ATOM 148 CD2 LEU A 9 -10.159 3.102 -6.252 1.00 0.00 C ATOM 0 H LEU A 9 -11.090 5.427 -2.226 1.00 0.00 H new ATOM 0 HA LEU A 9 -8.308 4.928 -3.157 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -10.901 4.117 -3.800 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -10.664 5.407 -4.962 1.00 0.00 H new ATOM 0 HG LEU A 9 -8.489 4.339 -5.664 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -8.042 2.018 -4.917 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -8.030 3.146 -3.541 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -9.443 2.101 -3.822 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -9.550 2.438 -6.865 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -10.948 2.527 -5.768 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -10.605 3.871 -6.883 1.00 0.00 H new ATOM 160 N GLU A 10 -9.772 7.799 -3.560 1.00 0.00 N ATOM 161 CA GLU A 10 -9.489 9.203 -3.989 1.00 0.00 C ATOM 162 C GLU A 10 -8.488 9.858 -3.031 1.00 0.00 C ATOM 163 O GLU A 10 -7.719 10.717 -3.419 1.00 0.00 O ATOM 164 CB GLU A 10 -10.839 9.918 -3.925 1.00 0.00 C ATOM 165 CG GLU A 10 -11.606 9.679 -5.227 1.00 0.00 C ATOM 166 CD GLU A 10 -13.109 9.683 -4.942 1.00 0.00 C ATOM 167 OE1 GLU A 10 -13.639 10.751 -4.685 1.00 0.00 O ATOM 168 OE2 GLU A 10 -13.704 8.620 -4.987 1.00 0.00 O ATOM 0 H GLU A 10 -10.649 7.670 -3.056 1.00 0.00 H new ATOM 0 HA GLU A 10 -9.051 9.249 -4.986 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -11.417 9.550 -3.077 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -10.689 10.986 -3.770 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -11.361 10.454 -5.953 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -11.311 8.726 -5.666 1.00 0.00 H new ATOM 175 N GLU A 11 -8.472 9.431 -1.793 1.00 0.00 N ATOM 176 CA GLU A 11 -7.492 9.994 -0.814 1.00 0.00 C ATOM 177 C GLU A 11 -6.106 9.385 -1.042 1.00 0.00 C ATOM 178 O GLU A 11 -5.097 10.053 -0.908 1.00 0.00 O ATOM 179 CB GLU A 11 -8.032 9.600 0.562 1.00 0.00 C ATOM 180 CG GLU A 11 -7.152 10.215 1.651 1.00 0.00 C ATOM 181 CD GLU A 11 -8.013 10.576 2.862 1.00 0.00 C ATOM 182 OE1 GLU A 11 -8.565 11.664 2.869 1.00 0.00 O ATOM 183 OE2 GLU A 11 -8.108 9.756 3.762 1.00 0.00 O ATOM 0 H GLU A 11 -9.096 8.716 -1.418 1.00 0.00 H new ATOM 0 HA GLU A 11 -7.384 11.074 -0.914 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -9.060 9.944 0.673 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -8.047 8.515 0.661 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -6.372 9.512 1.943 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -6.652 11.105 1.269 1.00 0.00 H new ATOM 190 N ILE A 12 -6.054 8.134 -1.422 1.00 0.00 N ATOM 191 CA ILE A 12 -4.738 7.484 -1.706 1.00 0.00 C ATOM 192 C ILE A 12 -4.239 7.897 -3.095 1.00 0.00 C ATOM 193 O ILE A 12 -3.049 7.994 -3.332 1.00 0.00 O ATOM 194 CB ILE A 12 -5.014 5.977 -1.652 1.00 0.00 C ATOM 195 CG1 ILE A 12 -5.537 5.600 -0.263 1.00 0.00 C ATOM 196 CG2 ILE A 12 -3.721 5.205 -1.930 1.00 0.00 C ATOM 197 CD1 ILE A 12 -6.144 4.197 -0.309 1.00 0.00 C ATOM 0 H ILE A 12 -6.868 7.533 -1.548 1.00 0.00 H new ATOM 0 HA ILE A 12 -3.968 7.776 -0.992 1.00 0.00 H new ATOM 0 HB ILE A 12 -5.759 5.723 -2.406 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -4.725 5.633 0.464 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -6.286 6.321 0.063 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -3.921 4.134 -1.891 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -3.346 5.468 -2.919 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -2.975 5.462 -1.178 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -6.516 3.929 0.680 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -6.967 4.180 -1.023 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -5.382 3.481 -0.616 1.00 0.00 H new ATOM 209 N GLN A 13 -5.143 8.181 -3.999 1.00 0.00 N ATOM 210 CA GLN A 13 -4.732 8.636 -5.361 1.00 0.00 C ATOM 211 C GLN A 13 -4.613 10.162 -5.398 1.00 0.00 C ATOM 212 O GLN A 13 -5.114 10.809 -6.299 1.00 0.00 O ATOM 213 CB GLN A 13 -5.850 8.163 -6.290 1.00 0.00 C ATOM 214 CG GLN A 13 -5.758 6.646 -6.469 1.00 0.00 C ATOM 215 CD GLN A 13 -6.502 6.236 -7.741 1.00 0.00 C ATOM 216 OE1 GLN A 13 -6.636 7.019 -8.660 1.00 0.00 O ATOM 217 NE2 GLN A 13 -6.995 5.030 -7.833 1.00 0.00 N ATOM 0 H GLN A 13 -6.150 8.117 -3.851 1.00 0.00 H new ATOM 0 HA GLN A 13 -3.761 8.236 -5.654 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -6.821 8.433 -5.874 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -5.768 8.660 -7.257 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -4.714 6.339 -6.531 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -6.188 6.140 -5.604 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -6.882 4.373 -7.061 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -7.493 4.745 -8.677 1.00 0.00 H new ATOM 226 N LYS A 14 -3.923 10.736 -4.445 1.00 0.00 N ATOM 227 CA LYS A 14 -3.729 12.217 -4.440 1.00 0.00 C ATOM 228 C LYS A 14 -2.387 12.573 -3.795 1.00 0.00 C ATOM 229 O LYS A 14 -2.236 13.621 -3.196 1.00 0.00 O ATOM 230 CB LYS A 14 -4.888 12.765 -3.607 1.00 0.00 C ATOM 231 CG LYS A 14 -6.041 13.161 -4.532 1.00 0.00 C ATOM 232 CD LYS A 14 -6.775 14.368 -3.947 1.00 0.00 C ATOM 233 CE LYS A 14 -7.431 15.164 -5.078 1.00 0.00 C ATOM 234 NZ LYS A 14 -6.331 15.983 -5.659 1.00 0.00 N ATOM 0 H LYS A 14 -3.485 10.241 -3.668 1.00 0.00 H new ATOM 0 HA LYS A 14 -3.717 12.636 -5.446 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -5.223 12.013 -2.892 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -4.558 13.629 -3.030 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -5.659 13.401 -5.524 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -6.730 12.325 -4.649 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -7.531 14.037 -3.235 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -6.077 15.001 -3.400 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -7.867 14.502 -5.826 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -8.237 15.795 -4.702 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -6.483 16.985 -5.425 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -5.420 15.670 -5.266 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -6.320 15.867 -6.692 1.00 0.00 H new ATOM 248 N HIS A 15 -1.404 11.723 -3.947 1.00 0.00 N ATOM 249 CA HIS A 15 -0.053 12.022 -3.383 1.00 0.00 C ATOM 250 C HIS A 15 1.019 11.862 -4.464 1.00 0.00 C ATOM 251 O HIS A 15 1.566 10.792 -4.651 1.00 0.00 O ATOM 252 CB HIS A 15 0.148 10.992 -2.271 1.00 0.00 C ATOM 253 CG HIS A 15 -0.845 11.243 -1.169 1.00 0.00 C ATOM 254 ND1 HIS A 15 -0.454 11.617 0.107 1.00 0.00 N ATOM 255 CD2 HIS A 15 -2.216 11.176 -1.137 1.00 0.00 C ATOM 256 CE1 HIS A 15 -1.569 11.761 0.846 1.00 0.00 C ATOM 257 NE2 HIS A 15 -2.671 11.504 0.137 1.00 0.00 N ATOM 0 H HIS A 15 -1.479 10.832 -4.439 1.00 0.00 H new ATOM 0 HA HIS A 15 0.023 13.044 -3.011 1.00 0.00 H new ATOM 0 HB2 HIS A 15 0.021 9.984 -2.667 1.00 0.00 H new ATOM 0 HB3 HIS A 15 1.164 11.056 -1.881 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -2.846 10.909 -1.973 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -1.572 12.050 1.887 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -3.638 11.540 0.460 1.00 0.00 H new ATOM 266 N LYS A 16 1.347 12.930 -5.146 1.00 0.00 N ATOM 267 CA LYS A 16 2.416 12.860 -6.187 1.00 0.00 C ATOM 268 C LYS A 16 3.531 13.860 -5.868 1.00 0.00 C ATOM 269 O LYS A 16 3.998 14.578 -6.732 1.00 0.00 O ATOM 270 CB LYS A 16 1.720 13.234 -7.495 1.00 0.00 C ATOM 271 CG LYS A 16 1.182 11.969 -8.168 1.00 0.00 C ATOM 272 CD LYS A 16 1.244 12.132 -9.688 1.00 0.00 C ATOM 273 CE LYS A 16 1.522 10.775 -10.337 1.00 0.00 C ATOM 274 NZ LYS A 16 2.434 11.073 -11.476 1.00 0.00 N ATOM 0 H LYS A 16 0.920 13.848 -5.026 1.00 0.00 H new ATOM 0 HA LYS A 16 2.878 11.874 -6.238 1.00 0.00 H new ATOM 0 HB2 LYS A 16 0.904 13.929 -7.299 1.00 0.00 H new ATOM 0 HB3 LYS A 16 2.419 13.742 -8.159 1.00 0.00 H new ATOM 0 HG2 LYS A 16 1.769 11.103 -7.860 1.00 0.00 H new ATOM 0 HG3 LYS A 16 0.155 11.786 -7.853 1.00 0.00 H new ATOM 0 HD2 LYS A 16 0.303 12.538 -10.059 1.00 0.00 H new ATOM 0 HD3 LYS A 16 2.026 12.842 -9.956 1.00 0.00 H new ATOM 0 HE2 LYS A 16 1.985 10.087 -9.630 1.00 0.00 H new ATOM 0 HE3 LYS A 16 0.600 10.306 -10.681 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 2.671 10.190 -11.972 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 1.964 11.725 -12.136 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 3.306 11.513 -11.117 1.00 0.00 H new ATOM 288 N ASP A 17 3.987 13.881 -4.640 1.00 0.00 N ATOM 289 CA ASP A 17 5.103 14.799 -4.265 1.00 0.00 C ATOM 290 C ASP A 17 6.399 14.005 -4.076 1.00 0.00 C ATOM 291 O ASP A 17 6.385 12.792 -3.982 1.00 0.00 O ATOM 292 CB ASP A 17 4.666 15.434 -2.944 1.00 0.00 C ATOM 293 CG ASP A 17 3.794 16.657 -3.229 1.00 0.00 C ATOM 294 OD1 ASP A 17 3.018 16.602 -4.169 1.00 0.00 O ATOM 295 OD2 ASP A 17 3.917 17.631 -2.503 1.00 0.00 O ATOM 0 H ASP A 17 3.633 13.300 -3.880 1.00 0.00 H new ATOM 0 HA ASP A 17 5.298 15.548 -5.033 1.00 0.00 H new ATOM 0 HB2 ASP A 17 4.112 14.710 -2.346 1.00 0.00 H new ATOM 0 HB3 ASP A 17 5.540 15.725 -2.362 1.00 0.00 H new ATOM 300 N SER A 18 7.512 14.687 -3.983 1.00 0.00 N ATOM 301 CA SER A 18 8.811 13.985 -3.755 1.00 0.00 C ATOM 302 C SER A 18 9.127 13.931 -2.258 1.00 0.00 C ATOM 303 O SER A 18 10.244 14.174 -1.843 1.00 0.00 O ATOM 304 CB SER A 18 9.850 14.828 -4.491 1.00 0.00 C ATOM 305 OG SER A 18 9.898 14.428 -5.855 1.00 0.00 O ATOM 0 H SER A 18 7.577 15.702 -4.055 1.00 0.00 H new ATOM 0 HA SER A 18 8.793 12.956 -4.113 1.00 0.00 H new ATOM 0 HB2 SER A 18 9.595 15.885 -4.419 1.00 0.00 H new ATOM 0 HB3 SER A 18 10.829 14.704 -4.029 1.00 0.00 H new ATOM 0 HG SER A 18 10.563 14.968 -6.331 1.00 0.00 H new ATOM 311 N LYS A 19 8.158 13.575 -1.452 1.00 0.00 N ATOM 312 CA LYS A 19 8.404 13.458 0.016 1.00 0.00 C ATOM 313 C LYS A 19 7.998 12.066 0.511 1.00 0.00 C ATOM 314 O LYS A 19 8.707 11.440 1.276 1.00 0.00 O ATOM 315 CB LYS A 19 7.521 14.532 0.653 1.00 0.00 C ATOM 316 CG LYS A 19 7.786 14.586 2.159 1.00 0.00 C ATOM 317 CD LYS A 19 7.420 15.971 2.693 1.00 0.00 C ATOM 318 CE LYS A 19 8.634 16.897 2.588 1.00 0.00 C ATOM 319 NZ LYS A 19 8.064 18.260 2.405 1.00 0.00 N ATOM 0 H LYS A 19 7.206 13.360 -1.749 1.00 0.00 H new ATOM 0 HA LYS A 19 9.455 13.592 0.270 1.00 0.00 H new ATOM 0 HB2 LYS A 19 7.728 15.502 0.202 1.00 0.00 H new ATOM 0 HB3 LYS A 19 6.470 14.311 0.466 1.00 0.00 H new ATOM 0 HG2 LYS A 19 7.200 13.822 2.669 1.00 0.00 H new ATOM 0 HG3 LYS A 19 8.835 14.372 2.362 1.00 0.00 H new ATOM 0 HD2 LYS A 19 6.586 16.382 2.125 1.00 0.00 H new ATOM 0 HD3 LYS A 19 7.094 15.898 3.731 1.00 0.00 H new ATOM 0 HE2 LYS A 19 9.250 16.844 3.486 1.00 0.00 H new ATOM 0 HE3 LYS A 19 9.271 16.619 1.748 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 8.837 18.952 2.325 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 7.488 18.282 1.539 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 7.468 18.500 3.223 1.00 0.00 H new ATOM 333 N SER A 20 6.880 11.566 0.047 1.00 0.00 N ATOM 334 CA SER A 20 6.442 10.197 0.451 1.00 0.00 C ATOM 335 C SER A 20 5.673 9.529 -0.692 1.00 0.00 C ATOM 336 O SER A 20 5.295 10.171 -1.655 1.00 0.00 O ATOM 337 CB SER A 20 5.528 10.413 1.657 1.00 0.00 C ATOM 338 OG SER A 20 4.391 11.166 1.254 1.00 0.00 O ATOM 0 H SER A 20 6.251 12.049 -0.595 1.00 0.00 H new ATOM 0 HA SER A 20 7.284 9.548 0.689 1.00 0.00 H new ATOM 0 HB2 SER A 20 5.216 9.453 2.068 1.00 0.00 H new ATOM 0 HB3 SER A 20 6.066 10.938 2.446 1.00 0.00 H new ATOM 0 HG SER A 20 3.801 11.305 2.024 1.00 0.00 H new ATOM 344 N THR A 21 5.406 8.253 -0.573 1.00 0.00 N ATOM 345 CA THR A 21 4.622 7.544 -1.629 1.00 0.00 C ATOM 346 C THR A 21 3.578 6.624 -0.985 1.00 0.00 C ATOM 347 O THR A 21 3.879 5.870 -0.079 1.00 0.00 O ATOM 348 CB THR A 21 5.653 6.727 -2.417 1.00 0.00 C ATOM 349 OG1 THR A 21 4.990 5.992 -3.436 1.00 0.00 O ATOM 350 CG2 THR A 21 6.385 5.757 -1.482 1.00 0.00 C ATOM 0 H THR A 21 5.698 7.671 0.212 1.00 0.00 H new ATOM 0 HA THR A 21 4.079 8.236 -2.273 1.00 0.00 H new ATOM 0 HB THR A 21 6.380 7.405 -2.864 1.00 0.00 H new ATOM 0 HG1 THR A 21 5.647 5.470 -3.943 1.00 0.00 H new ATOM 0 HG21 THR A 21 7.114 5.182 -2.053 1.00 0.00 H new ATOM 0 HG22 THR A 21 6.897 6.320 -0.702 1.00 0.00 H new ATOM 0 HG23 THR A 21 5.665 5.078 -1.026 1.00 0.00 H new ATOM 358 N TRP A 22 2.366 6.652 -1.480 1.00 0.00 N ATOM 359 CA TRP A 22 1.311 5.746 -0.935 1.00 0.00 C ATOM 360 C TRP A 22 1.145 4.522 -1.839 1.00 0.00 C ATOM 361 O TRP A 22 0.269 4.477 -2.682 1.00 0.00 O ATOM 362 CB TRP A 22 0.027 6.582 -0.928 1.00 0.00 C ATOM 363 CG TRP A 22 -0.096 7.311 0.375 1.00 0.00 C ATOM 364 CD1 TRP A 22 0.905 7.978 0.996 1.00 0.00 C ATOM 365 CD2 TRP A 22 -1.273 7.461 1.222 1.00 0.00 C ATOM 366 NE1 TRP A 22 0.418 8.524 2.171 1.00 0.00 N ATOM 367 CE2 TRP A 22 -0.919 8.233 2.354 1.00 0.00 C ATOM 368 CE3 TRP A 22 -2.599 7.004 1.120 1.00 0.00 C ATOM 369 CZ2 TRP A 22 -1.848 8.542 3.348 1.00 0.00 C ATOM 370 CZ3 TRP A 22 -3.537 7.314 2.119 1.00 0.00 C ATOM 371 CH2 TRP A 22 -3.162 8.080 3.230 1.00 0.00 C ATOM 0 H TRP A 22 2.062 7.263 -2.238 1.00 0.00 H new ATOM 0 HA TRP A 22 1.562 5.377 0.060 1.00 0.00 H new ATOM 0 HB2 TRP A 22 0.041 7.294 -1.754 1.00 0.00 H new ATOM 0 HB3 TRP A 22 -0.839 5.937 -1.078 1.00 0.00 H new ATOM 0 HD1 TRP A 22 1.918 8.069 0.634 1.00 0.00 H new ATOM 0 HE1 TRP A 22 0.978 9.074 2.822 1.00 0.00 H new ATOM 0 HE3 TRP A 22 -2.898 6.411 0.268 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -1.554 9.134 4.202 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 -4.553 6.960 2.030 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -3.888 8.314 3.995 1.00 0.00 H new ATOM 382 N VAL A 23 1.932 3.498 -1.615 1.00 0.00 N ATOM 383 CA VAL A 23 1.767 2.238 -2.399 1.00 0.00 C ATOM 384 C VAL A 23 0.599 1.434 -1.824 1.00 0.00 C ATOM 385 O VAL A 23 0.476 1.275 -0.624 1.00 0.00 O ATOM 386 CB VAL A 23 3.095 1.484 -2.225 1.00 0.00 C ATOM 387 CG1 VAL A 23 3.004 0.086 -2.854 1.00 0.00 C ATOM 388 CG2 VAL A 23 4.217 2.270 -2.908 1.00 0.00 C ATOM 0 H VAL A 23 2.681 3.482 -0.923 1.00 0.00 H new ATOM 0 HA VAL A 23 1.548 2.417 -3.452 1.00 0.00 H new ATOM 0 HB VAL A 23 3.304 1.381 -1.160 1.00 0.00 H new ATOM 0 HG11 VAL A 23 3.952 -0.435 -2.722 1.00 0.00 H new ATOM 0 HG12 VAL A 23 2.209 -0.480 -2.369 1.00 0.00 H new ATOM 0 HG13 VAL A 23 2.786 0.179 -3.918 1.00 0.00 H new ATOM 0 HG21 VAL A 23 5.160 1.738 -2.786 1.00 0.00 H new ATOM 0 HG22 VAL A 23 3.994 2.375 -3.970 1.00 0.00 H new ATOM 0 HG23 VAL A 23 4.297 3.258 -2.455 1.00 0.00 H new ATOM 398 N ILE A 24 -0.232 0.894 -2.674 1.00 0.00 N ATOM 399 CA ILE A 24 -1.364 0.056 -2.184 1.00 0.00 C ATOM 400 C ILE A 24 -1.183 -1.386 -2.650 1.00 0.00 C ATOM 401 O ILE A 24 -0.942 -1.646 -3.815 1.00 0.00 O ATOM 402 CB ILE A 24 -2.628 0.666 -2.795 1.00 0.00 C ATOM 403 CG1 ILE A 24 -2.743 2.142 -2.387 1.00 0.00 C ATOM 404 CG2 ILE A 24 -3.856 -0.096 -2.287 1.00 0.00 C ATOM 405 CD1 ILE A 24 -2.185 3.026 -3.504 1.00 0.00 C ATOM 0 H ILE A 24 -0.176 0.997 -3.687 1.00 0.00 H new ATOM 0 HA ILE A 24 -1.419 0.040 -1.095 1.00 0.00 H new ATOM 0 HB ILE A 24 -2.573 0.595 -3.881 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -3.785 2.397 -2.194 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -2.195 2.318 -1.461 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -4.758 0.336 -2.721 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -3.780 -1.144 -2.578 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -3.905 -0.024 -1.201 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -2.267 4.074 -3.214 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -1.138 2.778 -3.676 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -2.753 2.857 -4.419 1.00 0.00 H new ATOM 417 N LEU A 25 -1.389 -2.324 -1.766 1.00 0.00 N ATOM 418 CA LEU A 25 -1.334 -3.759 -2.164 1.00 0.00 C ATOM 419 C LEU A 25 -2.755 -4.314 -2.231 1.00 0.00 C ATOM 420 O LEU A 25 -3.181 -5.057 -1.369 1.00 0.00 O ATOM 421 CB LEU A 25 -0.514 -4.447 -1.068 1.00 0.00 C ATOM 422 CG LEU A 25 0.904 -4.749 -1.581 1.00 0.00 C ATOM 423 CD1 LEU A 25 1.584 -3.458 -2.052 1.00 0.00 C ATOM 424 CD2 LEU A 25 1.731 -5.361 -0.452 1.00 0.00 C ATOM 0 H LEU A 25 -1.594 -2.157 -0.781 1.00 0.00 H new ATOM 0 HA LEU A 25 -0.883 -3.916 -3.144 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -0.462 -3.808 -0.186 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -1.004 -5.372 -0.763 1.00 0.00 H new ATOM 0 HG LEU A 25 0.835 -5.445 -2.417 1.00 0.00 H new ATOM 0 HD11 LEU A 25 2.587 -3.686 -2.413 1.00 0.00 H new ATOM 0 HD12 LEU A 25 1.001 -3.013 -2.858 1.00 0.00 H new ATOM 0 HD13 LEU A 25 1.648 -2.756 -1.220 1.00 0.00 H new ATOM 0 HD21 LEU A 25 2.737 -5.576 -0.813 1.00 0.00 H new ATOM 0 HD22 LEU A 25 1.787 -4.659 0.380 1.00 0.00 H new ATOM 0 HD23 LEU A 25 1.261 -6.285 -0.116 1.00 0.00 H new ATOM 436 N HIS A 26 -3.498 -3.895 -3.233 1.00 0.00 N ATOM 437 CA HIS A 26 -4.936 -4.308 -3.407 1.00 0.00 C ATOM 438 C HIS A 26 -5.705 -4.358 -2.073 1.00 0.00 C ATOM 439 O HIS A 26 -6.731 -5.002 -1.975 1.00 0.00 O ATOM 440 CB HIS A 26 -4.897 -5.688 -4.089 1.00 0.00 C ATOM 441 CG HIS A 26 -4.260 -6.717 -3.193 1.00 0.00 C ATOM 442 ND1 HIS A 26 -4.988 -7.432 -2.256 1.00 0.00 N ATOM 443 CD2 HIS A 26 -2.966 -7.169 -3.087 1.00 0.00 C ATOM 444 CE1 HIS A 26 -4.137 -8.269 -1.633 1.00 0.00 C ATOM 445 NE2 HIS A 26 -2.893 -8.149 -2.102 1.00 0.00 N ATOM 0 H HIS A 26 -3.158 -3.265 -3.960 1.00 0.00 H new ATOM 0 HA HIS A 26 -5.474 -3.576 -4.009 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -5.910 -6.000 -4.344 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -4.340 -5.620 -5.023 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -2.133 -6.817 -3.678 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -4.426 -8.954 -0.849 1.00 0.00 H new ATOM 0 HE2 HIS A 26 -2.066 -8.665 -1.802 1.00 0.00 H new ATOM 453 N HIS A 27 -5.289 -3.579 -1.095 1.00 0.00 N ATOM 454 CA HIS A 27 -6.065 -3.465 0.185 1.00 0.00 C ATOM 455 C HIS A 27 -5.364 -2.497 1.145 1.00 0.00 C ATOM 456 O HIS A 27 -5.927 -1.503 1.560 1.00 0.00 O ATOM 457 CB HIS A 27 -6.093 -4.866 0.814 1.00 0.00 C ATOM 458 CG HIS A 27 -7.208 -4.936 1.825 1.00 0.00 C ATOM 459 ND1 HIS A 27 -7.510 -6.101 2.512 1.00 0.00 N ATOM 460 CD2 HIS A 27 -8.102 -3.993 2.277 1.00 0.00 C ATOM 461 CE1 HIS A 27 -8.544 -5.834 3.331 1.00 0.00 C ATOM 462 NE2 HIS A 27 -8.944 -4.564 3.228 1.00 0.00 N ATOM 0 H HIS A 27 -4.440 -3.015 -1.131 1.00 0.00 H new ATOM 0 HA HIS A 27 -7.070 -3.090 -0.008 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -6.239 -5.621 0.042 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -5.138 -5.081 1.293 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -8.144 -2.966 1.945 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -8.996 -6.559 3.992 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -9.703 -4.110 3.736 1.00 0.00 H new ATOM 470 N LYS A 28 -4.156 -2.818 1.535 1.00 0.00 N ATOM 471 CA LYS A 28 -3.422 -1.960 2.518 1.00 0.00 C ATOM 472 C LYS A 28 -2.869 -0.701 1.846 1.00 0.00 C ATOM 473 O LYS A 28 -2.505 -0.713 0.685 1.00 0.00 O ATOM 474 CB LYS A 28 -2.276 -2.834 3.032 1.00 0.00 C ATOM 475 CG LYS A 28 -2.784 -3.727 4.166 1.00 0.00 C ATOM 476 CD LYS A 28 -1.860 -4.937 4.316 1.00 0.00 C ATOM 477 CE LYS A 28 -2.532 -5.986 5.204 1.00 0.00 C ATOM 478 NZ LYS A 28 -1.533 -7.085 5.323 1.00 0.00 N ATOM 0 H LYS A 28 -3.644 -3.640 1.214 1.00 0.00 H new ATOM 0 HA LYS A 28 -4.077 -1.620 3.320 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -1.880 -3.447 2.222 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -1.458 -2.207 3.387 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -2.818 -3.164 5.099 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -3.801 -4.057 3.955 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -1.638 -5.362 3.337 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -0.910 -4.630 4.753 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -2.784 -5.574 6.181 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -3.461 -6.343 4.760 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -1.921 -7.844 5.919 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -1.318 -7.462 4.378 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -0.662 -6.717 5.755 1.00 0.00 H new ATOM 492 N VAL A 29 -2.728 0.360 2.600 1.00 0.00 N ATOM 493 CA VAL A 29 -2.108 1.604 2.053 1.00 0.00 C ATOM 494 C VAL A 29 -0.732 1.801 2.695 1.00 0.00 C ATOM 495 O VAL A 29 -0.613 1.870 3.903 1.00 0.00 O ATOM 496 CB VAL A 29 -3.058 2.739 2.448 1.00 0.00 C ATOM 497 CG1 VAL A 29 -2.552 4.054 1.857 1.00 0.00 C ATOM 498 CG2 VAL A 29 -4.467 2.450 1.912 1.00 0.00 C ATOM 0 H VAL A 29 -3.018 0.418 3.576 1.00 0.00 H new ATOM 0 HA VAL A 29 -1.967 1.566 0.973 1.00 0.00 H new ATOM 0 HB VAL A 29 -3.094 2.814 3.535 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -3.227 4.863 2.137 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -1.554 4.265 2.241 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -2.513 3.974 0.771 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -5.138 3.261 2.196 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -4.434 2.371 0.825 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -4.831 1.513 2.333 1.00 0.00 H new ATOM 508 N TYR A 30 0.309 1.824 1.904 1.00 0.00 N ATOM 509 CA TYR A 30 1.686 1.933 2.476 1.00 0.00 C ATOM 510 C TYR A 30 2.203 3.372 2.408 1.00 0.00 C ATOM 511 O TYR A 30 2.503 3.874 1.341 1.00 0.00 O ATOM 512 CB TYR A 30 2.557 1.040 1.594 1.00 0.00 C ATOM 513 CG TYR A 30 2.250 -0.413 1.855 1.00 0.00 C ATOM 514 CD1 TYR A 30 1.014 -0.950 1.480 1.00 0.00 C ATOM 515 CD2 TYR A 30 3.211 -1.227 2.466 1.00 0.00 C ATOM 516 CE1 TYR A 30 0.738 -2.300 1.717 1.00 0.00 C ATOM 517 CE2 TYR A 30 2.936 -2.578 2.702 1.00 0.00 C ATOM 518 CZ TYR A 30 1.698 -3.115 2.329 1.00 0.00 C ATOM 519 OH TYR A 30 1.426 -4.448 2.561 1.00 0.00 O ATOM 0 H TYR A 30 0.266 1.772 0.886 1.00 0.00 H new ATOM 0 HA TYR A 30 1.700 1.638 3.525 1.00 0.00 H new ATOM 0 HB2 TYR A 30 2.382 1.273 0.544 1.00 0.00 H new ATOM 0 HB3 TYR A 30 3.610 1.238 1.793 1.00 0.00 H new ATOM 0 HD1 TYR A 30 0.273 -0.322 1.008 1.00 0.00 H new ATOM 0 HD2 TYR A 30 4.165 -0.812 2.755 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -0.216 -2.714 1.428 1.00 0.00 H new ATOM 0 HE2 TYR A 30 3.678 -3.206 3.172 1.00 0.00 H new ATOM 0 HH TYR A 30 0.525 -4.659 2.239 1.00 0.00 H new ATOM 529 N ASP A 31 2.505 3.950 3.542 1.00 0.00 N ATOM 530 CA ASP A 31 3.230 5.256 3.547 1.00 0.00 C ATOM 531 C ASP A 31 4.722 4.981 3.730 1.00 0.00 C ATOM 532 O ASP A 31 5.227 4.957 4.837 1.00 0.00 O ATOM 533 CB ASP A 31 2.667 6.030 4.739 1.00 0.00 C ATOM 534 CG ASP A 31 3.328 7.407 4.813 1.00 0.00 C ATOM 535 OD1 ASP A 31 4.543 7.455 4.901 1.00 0.00 O ATOM 536 OD2 ASP A 31 2.607 8.391 4.781 1.00 0.00 O ATOM 0 H ASP A 31 2.281 3.575 4.464 1.00 0.00 H new ATOM 0 HA ASP A 31 3.104 5.821 2.623 1.00 0.00 H new ATOM 0 HB2 ASP A 31 1.587 6.138 4.638 1.00 0.00 H new ATOM 0 HB3 ASP A 31 2.847 5.479 5.662 1.00 0.00 H new ATOM 541 N LEU A 32 5.399 4.647 2.661 1.00 0.00 N ATOM 542 CA LEU A 32 6.831 4.222 2.774 1.00 0.00 C ATOM 543 C LEU A 32 7.769 5.429 2.655 1.00 0.00 C ATOM 544 O LEU A 32 8.791 5.362 1.998 1.00 0.00 O ATOM 545 CB LEU A 32 7.067 3.249 1.604 1.00 0.00 C ATOM 546 CG LEU A 32 5.969 2.164 1.566 1.00 0.00 C ATOM 547 CD1 LEU A 32 5.237 2.219 0.221 1.00 0.00 C ATOM 548 CD2 LEU A 32 6.594 0.775 1.740 1.00 0.00 C ATOM 0 H LEU A 32 5.023 4.650 1.713 1.00 0.00 H new ATOM 0 HA LEU A 32 7.033 3.758 3.739 1.00 0.00 H new ATOM 0 HB2 LEU A 32 7.074 3.799 0.663 1.00 0.00 H new ATOM 0 HB3 LEU A 32 8.045 2.780 1.707 1.00 0.00 H new ATOM 0 HG LEU A 32 5.265 2.348 2.378 1.00 0.00 H new ATOM 0 HD11 LEU A 32 4.463 1.452 0.197 1.00 0.00 H new ATOM 0 HD12 LEU A 32 4.780 3.201 0.095 1.00 0.00 H new ATOM 0 HD13 LEU A 32 5.947 2.043 -0.587 1.00 0.00 H new ATOM 0 HD21 LEU A 32 5.811 0.017 1.712 1.00 0.00 H new ATOM 0 HD22 LEU A 32 7.305 0.592 0.934 1.00 0.00 H new ATOM 0 HD23 LEU A 32 7.111 0.726 2.698 1.00 0.00 H new ATOM 560 N THR A 33 7.467 6.506 3.340 1.00 0.00 N ATOM 561 CA THR A 33 8.387 7.686 3.325 1.00 0.00 C ATOM 562 C THR A 33 9.654 7.381 4.136 1.00 0.00 C ATOM 563 O THR A 33 10.716 7.907 3.859 1.00 0.00 O ATOM 564 CB THR A 33 7.589 8.834 3.959 1.00 0.00 C ATOM 565 OG1 THR A 33 8.384 10.013 3.956 1.00 0.00 O ATOM 566 CG2 THR A 33 7.204 8.485 5.402 1.00 0.00 C ATOM 0 H THR A 33 6.626 6.618 3.907 1.00 0.00 H new ATOM 0 HA THR A 33 8.715 7.940 2.317 1.00 0.00 H new ATOM 0 HB THR A 33 6.679 8.995 3.381 1.00 0.00 H new ATOM 0 HG1 THR A 33 8.405 10.391 3.052 1.00 0.00 H new ATOM 0 HG21 THR A 33 6.639 9.309 5.837 1.00 0.00 H new ATOM 0 HG22 THR A 33 6.592 7.583 5.407 1.00 0.00 H new ATOM 0 HG23 THR A 33 8.107 8.315 5.988 1.00 0.00 H new ATOM 574 N LYS A 34 9.557 6.495 5.096 1.00 0.00 N ATOM 575 CA LYS A 34 10.763 6.101 5.885 1.00 0.00 C ATOM 576 C LYS A 34 11.576 5.041 5.131 1.00 0.00 C ATOM 577 O LYS A 34 12.760 4.883 5.360 1.00 0.00 O ATOM 578 CB LYS A 34 10.210 5.525 7.188 1.00 0.00 C ATOM 579 CG LYS A 34 11.328 5.454 8.231 1.00 0.00 C ATOM 580 CD LYS A 34 10.724 5.531 9.634 1.00 0.00 C ATOM 581 CE LYS A 34 10.573 6.997 10.046 1.00 0.00 C ATOM 582 NZ LYS A 34 9.976 6.953 11.410 1.00 0.00 N ATOM 0 H LYS A 34 8.692 6.027 5.367 1.00 0.00 H new ATOM 0 HA LYS A 34 11.432 6.943 6.060 1.00 0.00 H new ATOM 0 HB2 LYS A 34 9.394 6.148 7.556 1.00 0.00 H new ATOM 0 HB3 LYS A 34 9.798 4.531 7.013 1.00 0.00 H new ATOM 0 HG2 LYS A 34 11.889 4.526 8.116 1.00 0.00 H new ATOM 0 HG3 LYS A 34 12.032 6.273 8.081 1.00 0.00 H new ATOM 0 HD2 LYS A 34 9.753 5.036 9.651 1.00 0.00 H new ATOM 0 HD3 LYS A 34 11.362 5.006 10.345 1.00 0.00 H new ATOM 0 HE2 LYS A 34 11.537 7.507 10.053 1.00 0.00 H new ATOM 0 HE3 LYS A 34 9.931 7.538 9.351 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 9.842 7.923 11.762 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 9.057 6.468 11.371 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 10.612 6.437 12.051 1.00 0.00 H new ATOM 596 N PHE A 35 10.960 4.344 4.207 1.00 0.00 N ATOM 597 CA PHE A 35 11.706 3.331 3.402 1.00 0.00 C ATOM 598 C PHE A 35 12.375 4.001 2.197 1.00 0.00 C ATOM 599 O PHE A 35 13.407 3.561 1.726 1.00 0.00 O ATOM 600 CB PHE A 35 10.640 2.336 2.941 1.00 0.00 C ATOM 601 CG PHE A 35 11.292 1.210 2.174 1.00 0.00 C ATOM 602 CD1 PHE A 35 11.778 0.087 2.853 1.00 0.00 C ATOM 603 CD2 PHE A 35 11.408 1.289 0.780 1.00 0.00 C ATOM 604 CE1 PHE A 35 12.379 -0.957 2.141 1.00 0.00 C ATOM 605 CE2 PHE A 35 12.010 0.246 0.068 1.00 0.00 C ATOM 606 CZ PHE A 35 12.495 -0.877 0.748 1.00 0.00 C ATOM 0 H PHE A 35 9.971 4.434 3.976 1.00 0.00 H new ATOM 0 HA PHE A 35 12.498 2.847 3.974 1.00 0.00 H new ATOM 0 HB2 PHE A 35 10.103 1.939 3.802 1.00 0.00 H new ATOM 0 HB3 PHE A 35 9.906 2.840 2.312 1.00 0.00 H new ATOM 0 HD1 PHE A 35 11.689 0.026 3.928 1.00 0.00 H new ATOM 0 HD2 PHE A 35 11.033 2.155 0.255 1.00 0.00 H new ATOM 0 HE1 PHE A 35 12.753 -1.824 2.666 1.00 0.00 H new ATOM 0 HE2 PHE A 35 12.100 0.307 -1.006 1.00 0.00 H new ATOM 0 HZ PHE A 35 12.959 -1.682 0.198 1.00 0.00 H new ATOM 616 N LEU A 36 11.809 5.081 1.719 1.00 0.00 N ATOM 617 CA LEU A 36 12.424 5.808 0.564 1.00 0.00 C ATOM 618 C LEU A 36 13.826 6.301 0.935 1.00 0.00 C ATOM 619 O LEU A 36 14.772 6.112 0.195 1.00 0.00 O ATOM 620 CB LEU A 36 11.495 6.995 0.293 1.00 0.00 C ATOM 621 CG LEU A 36 11.371 7.216 -1.215 1.00 0.00 C ATOM 622 CD1 LEU A 36 10.339 8.312 -1.486 1.00 0.00 C ATOM 623 CD2 LEU A 36 12.728 7.644 -1.782 1.00 0.00 C ATOM 0 H LEU A 36 10.947 5.492 2.078 1.00 0.00 H new ATOM 0 HA LEU A 36 12.531 5.168 -0.312 1.00 0.00 H new ATOM 0 HB2 LEU A 36 10.512 6.807 0.725 1.00 0.00 H new ATOM 0 HB3 LEU A 36 11.887 7.893 0.771 1.00 0.00 H new ATOM 0 HG LEU A 36 11.053 6.289 -1.693 1.00 0.00 H new ATOM 0 HD11 LEU A 36 10.250 8.470 -2.561 1.00 0.00 H new ATOM 0 HD12 LEU A 36 9.373 8.010 -1.082 1.00 0.00 H new ATOM 0 HD13 LEU A 36 10.658 9.238 -1.008 1.00 0.00 H new ATOM 0 HD21 LEU A 36 12.640 7.802 -2.857 1.00 0.00 H new ATOM 0 HD22 LEU A 36 13.046 8.571 -1.304 1.00 0.00 H new ATOM 0 HD23 LEU A 36 13.465 6.865 -1.589 1.00 0.00 H new ATOM 635 N GLU A 37 13.968 6.906 2.087 1.00 0.00 N ATOM 636 CA GLU A 37 15.316 7.383 2.528 1.00 0.00 C ATOM 637 C GLU A 37 16.221 6.193 2.872 1.00 0.00 C ATOM 638 O GLU A 37 17.432 6.285 2.794 1.00 0.00 O ATOM 639 CB GLU A 37 15.056 8.249 3.768 1.00 0.00 C ATOM 640 CG GLU A 37 14.369 7.414 4.859 1.00 0.00 C ATOM 641 CD GLU A 37 15.384 7.047 5.944 1.00 0.00 C ATOM 642 OE1 GLU A 37 15.535 7.821 6.874 1.00 0.00 O ATOM 643 OE2 GLU A 37 15.993 5.996 5.826 1.00 0.00 O ATOM 0 H GLU A 37 13.209 7.091 2.742 1.00 0.00 H new ATOM 0 HA GLU A 37 15.826 7.945 1.746 1.00 0.00 H new ATOM 0 HB2 GLU A 37 15.997 8.651 4.145 1.00 0.00 H new ATOM 0 HB3 GLU A 37 14.430 9.100 3.502 1.00 0.00 H new ATOM 0 HG2 GLU A 37 13.543 7.977 5.295 1.00 0.00 H new ATOM 0 HG3 GLU A 37 13.944 6.509 4.424 1.00 0.00 H new ATOM 650 N GLU A 38 15.641 5.068 3.217 1.00 0.00 N ATOM 651 CA GLU A 38 16.465 3.859 3.524 1.00 0.00 C ATOM 652 C GLU A 38 16.909 3.181 2.225 1.00 0.00 C ATOM 653 O GLU A 38 18.071 3.213 1.867 1.00 0.00 O ATOM 654 CB GLU A 38 15.538 2.939 4.320 1.00 0.00 C ATOM 655 CG GLU A 38 15.703 3.218 5.814 1.00 0.00 C ATOM 656 CD GLU A 38 15.484 1.925 6.603 1.00 0.00 C ATOM 657 OE1 GLU A 38 16.445 1.196 6.785 1.00 0.00 O ATOM 658 OE2 GLU A 38 14.360 1.687 7.012 1.00 0.00 O ATOM 0 H GLU A 38 14.633 4.936 3.299 1.00 0.00 H new ATOM 0 HA GLU A 38 17.370 4.105 4.080 1.00 0.00 H new ATOM 0 HB2 GLU A 38 14.502 3.102 4.021 1.00 0.00 H new ATOM 0 HB3 GLU A 38 15.772 1.896 4.106 1.00 0.00 H new ATOM 0 HG2 GLU A 38 16.699 3.613 6.013 1.00 0.00 H new ATOM 0 HG3 GLU A 38 14.989 3.977 6.134 1.00 0.00 H new ATOM 665 N HIS A 39 15.983 2.615 1.492 1.00 0.00 N ATOM 666 CA HIS A 39 16.334 1.991 0.182 1.00 0.00 C ATOM 667 C HIS A 39 16.462 3.077 -0.897 1.00 0.00 C ATOM 668 O HIS A 39 16.145 4.222 -0.648 1.00 0.00 O ATOM 669 CB HIS A 39 15.169 1.052 -0.133 1.00 0.00 C ATOM 670 CG HIS A 39 15.424 -0.290 0.496 1.00 0.00 C ATOM 671 ND1 HIS A 39 15.181 -0.536 1.837 1.00 0.00 N ATOM 672 CD2 HIS A 39 15.901 -1.470 -0.021 1.00 0.00 C ATOM 673 CE1 HIS A 39 15.508 -1.818 2.082 1.00 0.00 C ATOM 674 NE2 HIS A 39 15.953 -2.434 0.983 1.00 0.00 N ATOM 0 H HIS A 39 14.997 2.559 1.746 1.00 0.00 H new ATOM 0 HA HIS A 39 17.285 1.459 0.214 1.00 0.00 H new ATOM 0 HB2 HIS A 39 14.237 1.472 0.245 1.00 0.00 H new ATOM 0 HB3 HIS A 39 15.056 0.945 -1.212 1.00 0.00 H new ATOM 0 HD2 HIS A 39 16.191 -1.626 -1.049 1.00 0.00 H new ATOM 0 HE1 HIS A 39 15.421 -2.291 3.049 1.00 0.00 H new ATOM 0 HE2 HIS A 39 16.264 -3.402 0.898 1.00 0.00 H new ATOM 682 N PRO A 40 16.923 2.693 -2.072 1.00 0.00 N ATOM 683 CA PRO A 40 17.083 3.675 -3.182 1.00 0.00 C ATOM 684 C PRO A 40 15.782 4.455 -3.420 1.00 0.00 C ATOM 685 O PRO A 40 15.803 5.619 -3.770 1.00 0.00 O ATOM 686 CB PRO A 40 17.414 2.802 -4.390 1.00 0.00 C ATOM 687 CG PRO A 40 18.005 1.556 -3.813 1.00 0.00 C ATOM 688 CD PRO A 40 17.340 1.340 -2.480 1.00 0.00 C ATOM 0 HA PRO A 40 17.847 4.424 -2.973 1.00 0.00 H new ATOM 0 HB2 PRO A 40 16.521 2.582 -4.975 1.00 0.00 H new ATOM 0 HB3 PRO A 40 18.117 3.301 -5.057 1.00 0.00 H new ATOM 0 HG2 PRO A 40 17.835 0.705 -4.473 1.00 0.00 H new ATOM 0 HG3 PRO A 40 19.084 1.658 -3.696 1.00 0.00 H new ATOM 0 HD2 PRO A 40 16.487 0.666 -2.563 1.00 0.00 H new ATOM 0 HD3 PRO A 40 18.026 0.898 -1.758 1.00 0.00 H new ATOM 696 N GLY A 41 14.653 3.829 -3.190 1.00 0.00 N ATOM 697 CA GLY A 41 13.348 4.539 -3.353 1.00 0.00 C ATOM 698 C GLY A 41 13.199 5.010 -4.802 1.00 0.00 C ATOM 699 O GLY A 41 12.888 6.158 -5.060 1.00 0.00 O ATOM 0 H GLY A 41 14.580 2.855 -2.896 1.00 0.00 H new ATOM 0 HA2 GLY A 41 12.525 3.875 -3.089 1.00 0.00 H new ATOM 0 HA3 GLY A 41 13.299 5.392 -2.676 1.00 0.00 H new ATOM 703 N GLY A 42 13.404 4.127 -5.743 1.00 0.00 N ATOM 704 CA GLY A 42 13.262 4.506 -7.179 1.00 0.00 C ATOM 705 C GLY A 42 11.781 4.653 -7.532 1.00 0.00 C ATOM 706 O GLY A 42 11.269 3.948 -8.375 1.00 0.00 O ATOM 0 H GLY A 42 13.665 3.155 -5.578 1.00 0.00 H new ATOM 0 HA2 GLY A 42 13.786 5.442 -7.371 1.00 0.00 H new ATOM 0 HA3 GLY A 42 13.723 3.748 -7.812 1.00 0.00 H new ATOM 710 N GLU A 43 11.107 5.604 -6.926 1.00 0.00 N ATOM 711 CA GLU A 43 9.663 5.858 -7.246 1.00 0.00 C ATOM 712 C GLU A 43 8.823 4.586 -7.034 1.00 0.00 C ATOM 713 O GLU A 43 8.257 4.386 -5.976 1.00 0.00 O ATOM 714 CB GLU A 43 9.631 6.311 -8.713 1.00 0.00 C ATOM 715 CG GLU A 43 9.812 7.829 -8.783 1.00 0.00 C ATOM 716 CD GLU A 43 10.123 8.240 -10.223 1.00 0.00 C ATOM 717 OE1 GLU A 43 11.201 7.915 -10.692 1.00 0.00 O ATOM 718 OE2 GLU A 43 9.277 8.873 -10.832 1.00 0.00 O ATOM 0 H GLU A 43 11.500 6.222 -6.216 1.00 0.00 H new ATOM 0 HA GLU A 43 9.235 6.617 -6.591 1.00 0.00 H new ATOM 0 HB2 GLU A 43 10.421 5.814 -9.275 1.00 0.00 H new ATOM 0 HB3 GLU A 43 8.685 6.025 -9.172 1.00 0.00 H new ATOM 0 HG2 GLU A 43 8.908 8.330 -8.438 1.00 0.00 H new ATOM 0 HG3 GLU A 43 10.621 8.140 -8.122 1.00 0.00 H new ATOM 725 N GLU A 44 8.770 3.709 -8.010 1.00 0.00 N ATOM 726 CA GLU A 44 8.007 2.434 -7.838 1.00 0.00 C ATOM 727 C GLU A 44 8.920 1.335 -7.279 1.00 0.00 C ATOM 728 O GLU A 44 8.914 0.214 -7.753 1.00 0.00 O ATOM 729 CB GLU A 44 7.517 2.068 -9.247 1.00 0.00 C ATOM 730 CG GLU A 44 8.711 1.878 -10.199 1.00 0.00 C ATOM 731 CD GLU A 44 8.571 2.812 -11.404 1.00 0.00 C ATOM 732 OE1 GLU A 44 9.027 3.941 -11.310 1.00 0.00 O ATOM 733 OE2 GLU A 44 8.011 2.384 -12.399 1.00 0.00 O ATOM 0 H GLU A 44 9.222 3.823 -8.917 1.00 0.00 H new ATOM 0 HA GLU A 44 7.180 2.541 -7.136 1.00 0.00 H new ATOM 0 HB2 GLU A 44 6.927 1.153 -9.207 1.00 0.00 H new ATOM 0 HB3 GLU A 44 6.863 2.853 -9.626 1.00 0.00 H new ATOM 0 HG2 GLU A 44 9.643 2.086 -9.673 1.00 0.00 H new ATOM 0 HG3 GLU A 44 8.758 0.842 -10.535 1.00 0.00 H new ATOM 740 N VAL A 45 9.681 1.641 -6.257 1.00 0.00 N ATOM 741 CA VAL A 45 10.572 0.606 -5.644 1.00 0.00 C ATOM 742 C VAL A 45 9.735 -0.555 -5.089 1.00 0.00 C ATOM 743 O VAL A 45 10.139 -1.702 -5.157 1.00 0.00 O ATOM 744 CB VAL A 45 11.332 1.333 -4.525 1.00 0.00 C ATOM 745 CG1 VAL A 45 10.350 1.895 -3.496 1.00 0.00 C ATOM 746 CG2 VAL A 45 12.286 0.355 -3.831 1.00 0.00 C ATOM 0 H VAL A 45 9.724 2.562 -5.821 1.00 0.00 H new ATOM 0 HA VAL A 45 11.260 0.171 -6.369 1.00 0.00 H new ATOM 0 HB VAL A 45 11.900 2.154 -4.963 1.00 0.00 H new ATOM 0 HG11 VAL A 45 10.902 2.408 -2.708 1.00 0.00 H new ATOM 0 HG12 VAL A 45 9.675 2.599 -3.983 1.00 0.00 H new ATOM 0 HG13 VAL A 45 9.772 1.079 -3.062 1.00 0.00 H new ATOM 0 HG21 VAL A 45 12.824 0.873 -3.037 1.00 0.00 H new ATOM 0 HG22 VAL A 45 11.715 -0.469 -3.404 1.00 0.00 H new ATOM 0 HG23 VAL A 45 12.999 -0.036 -4.558 1.00 0.00 H new ATOM 756 N LEU A 46 8.552 -0.277 -4.598 1.00 0.00 N ATOM 757 CA LEU A 46 7.665 -1.375 -4.105 1.00 0.00 C ATOM 758 C LEU A 46 6.771 -1.886 -5.239 1.00 0.00 C ATOM 759 O LEU A 46 5.566 -1.970 -5.104 1.00 0.00 O ATOM 760 CB LEU A 46 6.819 -0.743 -3.000 1.00 0.00 C ATOM 761 CG LEU A 46 7.624 -0.705 -1.693 1.00 0.00 C ATOM 762 CD1 LEU A 46 8.098 0.724 -1.423 1.00 0.00 C ATOM 763 CD2 LEU A 46 6.742 -1.176 -0.533 1.00 0.00 C ATOM 0 H LEU A 46 8.163 0.662 -4.518 1.00 0.00 H new ATOM 0 HA LEU A 46 8.236 -2.229 -3.741 1.00 0.00 H new ATOM 0 HB2 LEU A 46 6.524 0.266 -3.286 1.00 0.00 H new ATOM 0 HB3 LEU A 46 5.902 -1.315 -2.858 1.00 0.00 H new ATOM 0 HG LEU A 46 8.488 -1.363 -1.784 1.00 0.00 H new ATOM 0 HD11 LEU A 46 8.669 0.749 -0.495 1.00 0.00 H new ATOM 0 HD12 LEU A 46 8.729 1.060 -2.246 1.00 0.00 H new ATOM 0 HD13 LEU A 46 7.234 1.383 -1.335 1.00 0.00 H new ATOM 0 HD21 LEU A 46 7.315 -1.149 0.394 1.00 0.00 H new ATOM 0 HD22 LEU A 46 5.876 -0.520 -0.444 1.00 0.00 H new ATOM 0 HD23 LEU A 46 6.406 -2.196 -0.722 1.00 0.00 H new ATOM 775 N ARG A 47 7.364 -2.276 -6.342 1.00 0.00 N ATOM 776 CA ARG A 47 6.573 -2.845 -7.484 1.00 0.00 C ATOM 777 C ARG A 47 5.436 -1.896 -7.888 1.00 0.00 C ATOM 778 O ARG A 47 4.318 -2.314 -8.117 1.00 0.00 O ATOM 779 CB ARG A 47 6.005 -4.170 -6.967 1.00 0.00 C ATOM 780 CG ARG A 47 5.488 -4.998 -8.147 1.00 0.00 C ATOM 781 CD ARG A 47 4.993 -6.355 -7.640 1.00 0.00 C ATOM 782 NE ARG A 47 3.739 -6.054 -6.880 1.00 0.00 N ATOM 783 CZ ARG A 47 2.833 -6.984 -6.653 1.00 0.00 C ATOM 784 NH1 ARG A 47 3.008 -8.226 -7.043 1.00 0.00 N ATOM 785 NH2 ARG A 47 1.736 -6.664 -6.023 1.00 0.00 N ATOM 0 H ARG A 47 8.370 -2.225 -6.503 1.00 0.00 H new ATOM 0 HA ARG A 47 7.193 -2.985 -8.370 1.00 0.00 H new ATOM 0 HB2 ARG A 47 6.775 -4.724 -6.430 1.00 0.00 H new ATOM 0 HB3 ARG A 47 5.197 -3.981 -6.260 1.00 0.00 H new ATOM 0 HG2 ARG A 47 4.679 -4.468 -8.650 1.00 0.00 H new ATOM 0 HG3 ARG A 47 6.281 -5.139 -8.881 1.00 0.00 H new ATOM 0 HD2 ARG A 47 4.798 -7.038 -8.467 1.00 0.00 H new ATOM 0 HD3 ARG A 47 5.736 -6.832 -7.001 1.00 0.00 H new ATOM 0 HE ARG A 47 3.582 -5.109 -6.530 1.00 0.00 H new ATOM 0 HH11 ARG A 47 3.862 -8.491 -7.535 1.00 0.00 H new ATOM 0 HH12 ARG A 47 2.290 -8.926 -6.854 1.00 0.00 H new ATOM 0 HH21 ARG A 47 1.588 -5.704 -5.713 1.00 0.00 H new ATOM 0 HH22 ARG A 47 1.027 -7.374 -5.841 1.00 0.00 H new ATOM 799 N GLU A 48 5.734 -0.626 -8.034 1.00 0.00 N ATOM 800 CA GLU A 48 4.699 0.361 -8.491 1.00 0.00 C ATOM 801 C GLU A 48 3.440 0.280 -7.619 1.00 0.00 C ATOM 802 O GLU A 48 3.375 -0.486 -6.676 1.00 0.00 O ATOM 803 CB GLU A 48 4.376 -0.026 -9.936 1.00 0.00 C ATOM 804 CG GLU A 48 4.119 1.237 -10.759 1.00 0.00 C ATOM 805 CD GLU A 48 4.522 0.990 -12.214 1.00 0.00 C ATOM 806 OE1 GLU A 48 3.696 0.491 -12.960 1.00 0.00 O ATOM 807 OE2 GLU A 48 5.650 1.305 -12.557 1.00 0.00 O ATOM 0 H GLU A 48 6.656 -0.227 -7.855 1.00 0.00 H new ATOM 0 HA GLU A 48 5.063 1.385 -8.415 1.00 0.00 H new ATOM 0 HB2 GLU A 48 5.204 -0.590 -10.366 1.00 0.00 H new ATOM 0 HB3 GLU A 48 3.500 -0.674 -9.963 1.00 0.00 H new ATOM 0 HG2 GLU A 48 3.066 1.511 -10.704 1.00 0.00 H new ATOM 0 HG3 GLU A 48 4.688 2.072 -10.350 1.00 0.00 H new ATOM 814 N GLN A 49 2.430 1.041 -7.955 1.00 0.00 N ATOM 815 CA GLN A 49 1.153 0.991 -7.181 1.00 0.00 C ATOM 816 C GLN A 49 0.325 -0.223 -7.611 1.00 0.00 C ATOM 817 O GLN A 49 0.813 -1.111 -8.283 1.00 0.00 O ATOM 818 CB GLN A 49 0.421 2.290 -7.532 1.00 0.00 C ATOM 819 CG GLN A 49 1.273 3.495 -7.114 1.00 0.00 C ATOM 820 CD GLN A 49 0.773 4.042 -5.775 1.00 0.00 C ATOM 821 OE1 GLN A 49 1.541 4.206 -4.848 1.00 0.00 O ATOM 822 NE2 GLN A 49 -0.490 4.333 -5.634 1.00 0.00 N ATOM 0 H GLN A 49 2.435 1.698 -8.736 1.00 0.00 H new ATOM 0 HA GLN A 49 1.324 0.899 -6.108 1.00 0.00 H new ATOM 0 HB2 GLN A 49 0.221 2.328 -8.603 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -0.544 2.322 -7.027 1.00 0.00 H new ATOM 0 HG2 GLN A 49 2.319 3.201 -7.030 1.00 0.00 H new ATOM 0 HG3 GLN A 49 1.221 4.272 -7.877 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -1.135 4.195 -6.412 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -0.833 4.698 -4.746 1.00 0.00 H new ATOM 831 N ALA A 50 -0.941 -0.243 -7.265 1.00 0.00 N ATOM 832 CA ALA A 50 -1.838 -1.370 -7.690 1.00 0.00 C ATOM 833 C ALA A 50 -1.228 -2.726 -7.308 1.00 0.00 C ATOM 834 O ALA A 50 -0.406 -3.268 -8.022 1.00 0.00 O ATOM 835 CB ALA A 50 -1.957 -1.246 -9.211 1.00 0.00 C ATOM 0 H ALA A 50 -1.396 0.477 -6.703 1.00 0.00 H new ATOM 0 HA ALA A 50 -2.810 -1.315 -7.200 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -2.600 -2.040 -9.592 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -2.388 -0.277 -9.464 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -0.968 -1.333 -9.662 1.00 0.00 H new ATOM 841 N GLY A 51 -1.660 -3.290 -6.208 1.00 0.00 N ATOM 842 CA GLY A 51 -1.146 -4.630 -5.798 1.00 0.00 C ATOM 843 C GLY A 51 -1.588 -5.681 -6.818 1.00 0.00 C ATOM 844 O GLY A 51 -0.798 -6.490 -7.268 1.00 0.00 O ATOM 0 H GLY A 51 -2.347 -2.879 -5.576 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -0.058 -4.609 -5.730 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -1.522 -4.888 -4.808 1.00 0.00 H new ATOM 848 N GLY A 52 -2.835 -5.648 -7.214 1.00 0.00 N ATOM 849 CA GLY A 52 -3.326 -6.613 -8.242 1.00 0.00 C ATOM 850 C GLY A 52 -3.303 -8.029 -7.665 1.00 0.00 C ATOM 851 O GLY A 52 -4.269 -8.486 -7.083 1.00 0.00 O ATOM 0 H GLY A 52 -3.536 -4.992 -6.868 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -4.338 -6.350 -8.549 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -2.700 -6.562 -9.133 1.00 0.00 H new ATOM 855 N ASP A 53 -2.193 -8.711 -7.790 1.00 0.00 N ATOM 856 CA ASP A 53 -2.083 -10.085 -7.216 1.00 0.00 C ATOM 857 C ASP A 53 -1.754 -10.008 -5.721 1.00 0.00 C ATOM 858 O ASP A 53 -1.798 -8.951 -5.123 1.00 0.00 O ATOM 859 CB ASP A 53 -0.937 -10.745 -7.984 1.00 0.00 C ATOM 860 CG ASP A 53 -1.502 -11.544 -9.159 1.00 0.00 C ATOM 861 OD1 ASP A 53 -2.432 -12.304 -8.940 1.00 0.00 O ATOM 862 OD2 ASP A 53 -0.995 -11.384 -10.257 1.00 0.00 O ATOM 0 H ASP A 53 -1.356 -8.374 -8.266 1.00 0.00 H new ATOM 0 HA ASP A 53 -3.012 -10.647 -7.309 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -0.244 -9.986 -8.347 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -0.373 -11.402 -7.322 1.00 0.00 H new ATOM 867 N ALA A 54 -1.388 -11.117 -5.129 1.00 0.00 N ATOM 868 CA ALA A 54 -1.010 -11.111 -3.684 1.00 0.00 C ATOM 869 C ALA A 54 0.433 -10.626 -3.518 1.00 0.00 C ATOM 870 O ALA A 54 0.992 -10.002 -4.400 1.00 0.00 O ATOM 871 CB ALA A 54 -1.143 -12.566 -3.233 1.00 0.00 C ATOM 0 H ALA A 54 -1.335 -12.028 -5.585 1.00 0.00 H new ATOM 0 HA ALA A 54 -1.639 -10.444 -3.095 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -0.881 -12.645 -2.178 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -2.171 -12.899 -3.378 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -0.472 -13.192 -3.821 1.00 0.00 H new ATOM 877 N THR A 55 1.049 -10.945 -2.407 1.00 0.00 N ATOM 878 CA THR A 55 2.473 -10.545 -2.193 1.00 0.00 C ATOM 879 C THR A 55 3.411 -11.525 -2.904 1.00 0.00 C ATOM 880 O THR A 55 3.833 -12.514 -2.335 1.00 0.00 O ATOM 881 CB THR A 55 2.678 -10.608 -0.679 1.00 0.00 C ATOM 882 OG1 THR A 55 2.161 -11.835 -0.183 1.00 0.00 O ATOM 883 CG2 THR A 55 1.951 -9.438 -0.013 1.00 0.00 C ATOM 0 H THR A 55 0.626 -11.466 -1.638 1.00 0.00 H new ATOM 0 HA THR A 55 2.688 -9.554 -2.593 1.00 0.00 H new ATOM 0 HB THR A 55 3.743 -10.545 -0.454 1.00 0.00 H new ATOM 0 HG1 THR A 55 2.504 -12.577 -0.724 1.00 0.00 H new ATOM 0 HG21 THR A 55 2.098 -9.485 1.066 1.00 0.00 H new ATOM 0 HG22 THR A 55 2.350 -8.498 -0.393 1.00 0.00 H new ATOM 0 HG23 THR A 55 0.886 -9.497 -0.237 1.00 0.00 H new ATOM 891 N GLU A 56 3.767 -11.234 -4.129 1.00 0.00 N ATOM 892 CA GLU A 56 4.714 -12.120 -4.871 1.00 0.00 C ATOM 893 C GLU A 56 5.621 -11.285 -5.781 1.00 0.00 C ATOM 894 O GLU A 56 5.156 -10.462 -6.548 1.00 0.00 O ATOM 895 CB GLU A 56 3.826 -13.059 -5.696 1.00 0.00 C ATOM 896 CG GLU A 56 2.941 -12.246 -6.651 1.00 0.00 C ATOM 897 CD GLU A 56 3.597 -12.184 -8.031 1.00 0.00 C ATOM 898 OE1 GLU A 56 3.967 -13.231 -8.537 1.00 0.00 O ATOM 899 OE2 GLU A 56 3.719 -11.091 -8.559 1.00 0.00 O ATOM 0 H GLU A 56 3.442 -10.419 -4.649 1.00 0.00 H new ATOM 0 HA GLU A 56 5.370 -12.675 -4.200 1.00 0.00 H new ATOM 0 HB2 GLU A 56 4.446 -13.752 -6.264 1.00 0.00 H new ATOM 0 HB3 GLU A 56 3.203 -13.659 -5.033 1.00 0.00 H new ATOM 0 HG2 GLU A 56 1.954 -12.703 -6.726 1.00 0.00 H new ATOM 0 HG3 GLU A 56 2.797 -11.239 -6.260 1.00 0.00 H new ATOM 906 N ASN A 57 6.911 -11.519 -5.728 1.00 0.00 N ATOM 907 CA ASN A 57 7.867 -10.776 -6.617 1.00 0.00 C ATOM 908 C ASN A 57 7.666 -9.261 -6.487 1.00 0.00 C ATOM 909 O ASN A 57 7.533 -8.558 -7.471 1.00 0.00 O ATOM 910 CB ASN A 57 7.545 -11.242 -8.040 1.00 0.00 C ATOM 911 CG ASN A 57 8.695 -10.862 -8.974 1.00 0.00 C ATOM 912 OD1 ASN A 57 9.099 -9.717 -9.025 1.00 0.00 O ATOM 913 ND2 ASN A 57 9.242 -11.780 -9.723 1.00 0.00 N ATOM 0 H ASN A 57 7.347 -12.197 -5.103 1.00 0.00 H new ATOM 0 HA ASN A 57 8.904 -10.976 -6.349 1.00 0.00 H new ATOM 0 HB2 ASN A 57 7.392 -12.321 -8.055 1.00 0.00 H new ATOM 0 HB3 ASN A 57 6.617 -10.784 -8.383 1.00 0.00 H new ATOM 0 HD21 ASN A 57 10.008 -11.536 -10.351 1.00 0.00 H new ATOM 0 HD22 ASN A 57 8.903 -12.741 -9.681 1.00 0.00 H new ATOM 920 N PHE A 58 7.682 -8.754 -5.280 1.00 0.00 N ATOM 921 CA PHE A 58 7.538 -7.280 -5.078 1.00 0.00 C ATOM 922 C PHE A 58 8.717 -6.737 -4.262 1.00 0.00 C ATOM 923 O PHE A 58 8.592 -5.755 -3.556 1.00 0.00 O ATOM 924 CB PHE A 58 6.218 -7.103 -4.315 1.00 0.00 C ATOM 925 CG PHE A 58 6.264 -7.860 -3.006 1.00 0.00 C ATOM 926 CD1 PHE A 58 5.863 -9.200 -2.958 1.00 0.00 C ATOM 927 CD2 PHE A 58 6.709 -7.221 -1.843 1.00 0.00 C ATOM 928 CE1 PHE A 58 5.907 -9.902 -1.747 1.00 0.00 C ATOM 929 CE2 PHE A 58 6.753 -7.922 -0.632 1.00 0.00 C ATOM 930 CZ PHE A 58 6.351 -9.263 -0.585 1.00 0.00 C ATOM 0 H PHE A 58 7.789 -9.298 -4.424 1.00 0.00 H new ATOM 0 HA PHE A 58 7.532 -6.735 -6.022 1.00 0.00 H new ATOM 0 HB2 PHE A 58 6.039 -6.045 -4.125 1.00 0.00 H new ATOM 0 HB3 PHE A 58 5.388 -7.463 -4.922 1.00 0.00 H new ATOM 0 HD1 PHE A 58 5.519 -9.693 -3.855 1.00 0.00 H new ATOM 0 HD2 PHE A 58 7.018 -6.187 -1.880 1.00 0.00 H new ATOM 0 HE1 PHE A 58 5.598 -10.936 -1.711 1.00 0.00 H new ATOM 0 HE2 PHE A 58 7.097 -7.429 0.265 1.00 0.00 H new ATOM 0 HZ PHE A 58 6.384 -9.804 0.349 1.00 0.00 H new ATOM 940 N GLU A 59 9.866 -7.351 -4.385 1.00 0.00 N ATOM 941 CA GLU A 59 11.070 -6.853 -3.654 1.00 0.00 C ATOM 942 C GLU A 59 12.296 -6.870 -4.574 1.00 0.00 C ATOM 943 O GLU A 59 12.176 -7.018 -5.775 1.00 0.00 O ATOM 944 CB GLU A 59 11.259 -7.823 -2.480 1.00 0.00 C ATOM 945 CG GLU A 59 11.441 -9.253 -3.002 1.00 0.00 C ATOM 946 CD GLU A 59 11.628 -10.209 -1.823 1.00 0.00 C ATOM 947 OE1 GLU A 59 10.630 -10.668 -1.293 1.00 0.00 O ATOM 948 OE2 GLU A 59 12.767 -10.465 -1.470 1.00 0.00 O ATOM 0 H GLU A 59 10.022 -8.178 -4.962 1.00 0.00 H new ATOM 0 HA GLU A 59 10.947 -5.825 -3.313 1.00 0.00 H new ATOM 0 HB2 GLU A 59 12.128 -7.529 -1.892 1.00 0.00 H new ATOM 0 HB3 GLU A 59 10.395 -7.777 -1.817 1.00 0.00 H new ATOM 0 HG2 GLU A 59 10.572 -9.550 -3.590 1.00 0.00 H new ATOM 0 HG3 GLU A 59 12.306 -9.302 -3.664 1.00 0.00 H new ATOM 955 N ASP A 60 13.472 -6.756 -4.011 1.00 0.00 N ATOM 956 CA ASP A 60 14.714 -6.808 -4.839 1.00 0.00 C ATOM 957 C ASP A 60 15.544 -8.041 -4.473 1.00 0.00 C ATOM 958 O ASP A 60 16.141 -8.104 -3.414 1.00 0.00 O ATOM 959 CB ASP A 60 15.474 -5.527 -4.493 1.00 0.00 C ATOM 960 CG ASP A 60 16.588 -5.302 -5.517 1.00 0.00 C ATOM 961 OD1 ASP A 60 17.665 -5.839 -5.319 1.00 0.00 O ATOM 962 OD2 ASP A 60 16.345 -4.594 -6.481 1.00 0.00 O ATOM 0 H ASP A 60 13.625 -6.629 -3.011 1.00 0.00 H new ATOM 0 HA ASP A 60 14.497 -6.878 -5.905 1.00 0.00 H new ATOM 0 HB2 ASP A 60 14.792 -4.677 -4.489 1.00 0.00 H new ATOM 0 HB3 ASP A 60 15.896 -5.601 -3.491 1.00 0.00 H new ATOM 967 N VAL A 61 15.615 -9.002 -5.357 1.00 0.00 N ATOM 968 CA VAL A 61 16.443 -10.218 -5.086 1.00 0.00 C ATOM 969 C VAL A 61 17.916 -9.825 -4.913 1.00 0.00 C ATOM 970 O VAL A 61 18.319 -8.732 -5.262 1.00 0.00 O ATOM 971 CB VAL A 61 16.253 -11.121 -6.313 1.00 0.00 C ATOM 972 CG1 VAL A 61 16.727 -10.396 -7.577 1.00 0.00 C ATOM 973 CG2 VAL A 61 17.058 -12.411 -6.133 1.00 0.00 C ATOM 0 H VAL A 61 15.135 -8.998 -6.257 1.00 0.00 H new ATOM 0 HA VAL A 61 16.144 -10.726 -4.169 1.00 0.00 H new ATOM 0 HB VAL A 61 15.195 -11.362 -6.414 1.00 0.00 H new ATOM 0 HG11 VAL A 61 16.588 -11.044 -8.442 1.00 0.00 H new ATOM 0 HG12 VAL A 61 16.148 -9.483 -7.712 1.00 0.00 H new ATOM 0 HG13 VAL A 61 17.783 -10.144 -7.478 1.00 0.00 H new ATOM 0 HG21 VAL A 61 16.921 -13.050 -7.005 1.00 0.00 H new ATOM 0 HG22 VAL A 61 18.115 -12.168 -6.023 1.00 0.00 H new ATOM 0 HG23 VAL A 61 16.712 -12.935 -5.242 1.00 0.00 H new ATOM 983 N GLY A 62 18.723 -10.726 -4.412 1.00 0.00 N ATOM 984 CA GLY A 62 20.178 -10.431 -4.255 1.00 0.00 C ATOM 985 C GLY A 62 20.415 -9.727 -2.917 1.00 0.00 C ATOM 986 O GLY A 62 20.895 -8.611 -2.871 1.00 0.00 O ATOM 0 H GLY A 62 18.435 -11.655 -4.105 1.00 0.00 H new ATOM 0 HA2 GLY A 62 20.754 -11.355 -4.299 1.00 0.00 H new ATOM 0 HA3 GLY A 62 20.523 -9.801 -5.075 1.00 0.00 H new ATOM 990 N HIS A 63 20.117 -10.391 -1.828 1.00 0.00 N ATOM 991 CA HIS A 63 20.361 -9.785 -0.486 1.00 0.00 C ATOM 992 C HIS A 63 20.281 -10.861 0.602 1.00 0.00 C ATOM 993 O HIS A 63 20.391 -12.041 0.326 1.00 0.00 O ATOM 994 CB HIS A 63 19.243 -8.756 -0.306 1.00 0.00 C ATOM 995 CG HIS A 63 19.769 -7.567 0.450 1.00 0.00 C ATOM 996 ND1 HIS A 63 21.049 -7.073 0.255 1.00 0.00 N ATOM 997 CD2 HIS A 63 19.198 -6.762 1.406 1.00 0.00 C ATOM 998 CE1 HIS A 63 21.206 -6.018 1.074 1.00 0.00 C ATOM 999 NE2 HIS A 63 20.108 -5.785 1.798 1.00 0.00 N ATOM 0 H HIS A 63 19.715 -11.328 -1.812 1.00 0.00 H new ATOM 0 HA HIS A 63 21.349 -9.330 -0.411 1.00 0.00 H new ATOM 0 HB2 HIS A 63 18.863 -8.443 -1.279 1.00 0.00 H new ATOM 0 HB3 HIS A 63 18.408 -9.202 0.233 1.00 0.00 H new ATOM 0 HD2 HIS A 63 18.196 -6.871 1.794 1.00 0.00 H new ATOM 0 HE1 HIS A 63 22.110 -5.431 1.138 1.00 0.00 H new ATOM 0 HE2 HIS A 63 19.967 -5.049 2.490 1.00 0.00 H new ATOM 1007 N SER A 64 20.051 -10.462 1.827 1.00 0.00 N ATOM 1008 CA SER A 64 19.913 -11.451 2.933 1.00 0.00 C ATOM 1009 C SER A 64 19.148 -10.799 4.088 1.00 0.00 C ATOM 1010 O SER A 64 18.327 -9.930 3.867 1.00 0.00 O ATOM 1011 CB SER A 64 21.354 -11.789 3.330 1.00 0.00 C ATOM 1012 OG SER A 64 21.926 -10.677 4.008 1.00 0.00 O ATOM 0 H SER A 64 19.953 -9.486 2.108 1.00 0.00 H new ATOM 0 HA SER A 64 19.362 -12.349 2.653 1.00 0.00 H new ATOM 0 HB2 SER A 64 21.370 -12.669 3.973 1.00 0.00 H new ATOM 0 HB3 SER A 64 21.941 -12.031 2.444 1.00 0.00 H new ATOM 0 HG SER A 64 22.847 -10.889 4.265 1.00 0.00 H new ATOM 1018 N THR A 65 19.462 -11.138 5.322 1.00 0.00 N ATOM 1019 CA THR A 65 18.813 -10.450 6.488 1.00 0.00 C ATOM 1020 C THR A 65 17.281 -10.502 6.362 1.00 0.00 C ATOM 1021 O THR A 65 16.675 -9.676 5.708 1.00 0.00 O ATOM 1022 CB THR A 65 19.330 -9.002 6.423 1.00 0.00 C ATOM 1023 OG1 THR A 65 20.737 -8.999 6.620 1.00 0.00 O ATOM 1024 CG2 THR A 65 18.666 -8.152 7.506 1.00 0.00 C ATOM 0 H THR A 65 20.138 -11.860 5.570 1.00 0.00 H new ATOM 0 HA THR A 65 19.054 -10.924 7.440 1.00 0.00 H new ATOM 0 HB THR A 65 19.089 -8.582 5.447 1.00 0.00 H new ATOM 0 HG1 THR A 65 21.071 -8.079 6.578 1.00 0.00 H new ATOM 0 HG21 THR A 65 19.041 -7.130 7.448 1.00 0.00 H new ATOM 0 HG22 THR A 65 17.586 -8.151 7.357 1.00 0.00 H new ATOM 0 HG23 THR A 65 18.896 -8.568 8.487 1.00 0.00 H new ATOM 1032 N ASP A 66 16.653 -11.448 7.021 1.00 0.00 N ATOM 1033 CA ASP A 66 15.154 -11.546 6.990 1.00 0.00 C ATOM 1034 C ASP A 66 14.644 -11.597 5.544 1.00 0.00 C ATOM 1035 O ASP A 66 14.509 -10.581 4.889 1.00 0.00 O ATOM 1036 CB ASP A 66 14.645 -10.285 7.696 1.00 0.00 C ATOM 1037 CG ASP A 66 14.622 -10.520 9.207 1.00 0.00 C ATOM 1038 OD1 ASP A 66 15.648 -10.313 9.835 1.00 0.00 O ATOM 1039 OD2 ASP A 66 13.580 -10.904 9.711 1.00 0.00 O ATOM 0 H ASP A 66 17.116 -12.162 7.583 1.00 0.00 H new ATOM 0 HA ASP A 66 14.801 -12.454 7.479 1.00 0.00 H new ATOM 0 HB2 ASP A 66 15.289 -9.438 7.459 1.00 0.00 H new ATOM 0 HB3 ASP A 66 13.645 -10.035 7.341 1.00 0.00 H new ATOM 1044 N ALA A 67 14.323 -12.772 5.063 1.00 0.00 N ATOM 1045 CA ALA A 67 13.775 -12.896 3.675 1.00 0.00 C ATOM 1046 C ALA A 67 12.476 -12.093 3.541 1.00 0.00 C ATOM 1047 O ALA A 67 12.148 -11.604 2.476 1.00 0.00 O ATOM 1048 CB ALA A 67 13.504 -14.388 3.478 1.00 0.00 C ATOM 0 H ALA A 67 14.416 -13.652 5.571 1.00 0.00 H new ATOM 0 HA ALA A 67 14.467 -12.508 2.928 1.00 0.00 H new ATOM 0 HB1 ALA A 67 13.100 -14.556 2.480 1.00 0.00 H new ATOM 0 HB2 ALA A 67 14.434 -14.945 3.591 1.00 0.00 H new ATOM 0 HB3 ALA A 67 12.785 -14.729 4.223 1.00 0.00 H new ATOM 1054 N ARG A 68 11.758 -11.923 4.623 1.00 0.00 N ATOM 1055 CA ARG A 68 10.502 -11.113 4.575 1.00 0.00 C ATOM 1056 C ARG A 68 10.817 -9.675 4.152 1.00 0.00 C ATOM 1057 O ARG A 68 11.836 -9.122 4.518 1.00 0.00 O ATOM 1058 CB ARG A 68 9.946 -11.141 6.000 1.00 0.00 C ATOM 1059 CG ARG A 68 8.919 -12.269 6.126 1.00 0.00 C ATOM 1060 CD ARG A 68 7.602 -11.834 5.480 1.00 0.00 C ATOM 1061 NE ARG A 68 6.767 -13.073 5.434 1.00 0.00 N ATOM 1062 CZ ARG A 68 7.021 -14.042 4.575 1.00 0.00 C ATOM 1063 NH1 ARG A 68 7.989 -13.943 3.693 1.00 0.00 N ATOM 1064 NH2 ARG A 68 6.291 -15.124 4.602 1.00 0.00 N ATOM 0 H ARG A 68 11.988 -12.310 5.538 1.00 0.00 H new ATOM 0 HA ARG A 68 9.787 -11.510 3.855 1.00 0.00 H new ATOM 0 HB2 ARG A 68 10.755 -11.290 6.715 1.00 0.00 H new ATOM 0 HB3 ARG A 68 9.482 -10.184 6.239 1.00 0.00 H new ATOM 0 HG2 ARG A 68 9.293 -13.171 5.642 1.00 0.00 H new ATOM 0 HG3 ARG A 68 8.758 -12.513 7.176 1.00 0.00 H new ATOM 0 HD2 ARG A 68 7.116 -11.052 6.063 1.00 0.00 H new ATOM 0 HD3 ARG A 68 7.766 -11.431 4.481 1.00 0.00 H new ATOM 0 HE ARG A 68 5.984 -13.172 6.080 1.00 0.00 H new ATOM 0 HH11 ARG A 68 8.566 -13.102 3.661 1.00 0.00 H new ATOM 0 HH12 ARG A 68 8.164 -14.707 3.040 1.00 0.00 H new ATOM 0 HH21 ARG A 68 5.535 -15.213 5.281 1.00 0.00 H new ATOM 0 HH22 ARG A 68 6.476 -15.881 3.944 1.00 0.00 H new ATOM 1078 N GLU A 69 9.930 -9.059 3.413 1.00 0.00 N ATOM 1079 CA GLU A 69 10.150 -7.641 2.995 1.00 0.00 C ATOM 1080 C GLU A 69 9.778 -6.689 4.135 1.00 0.00 C ATOM 1081 O GLU A 69 9.255 -7.102 5.153 1.00 0.00 O ATOM 1082 CB GLU A 69 9.223 -7.431 1.797 1.00 0.00 C ATOM 1083 CG GLU A 69 9.908 -6.522 0.774 1.00 0.00 C ATOM 1084 CD GLU A 69 8.857 -5.663 0.069 1.00 0.00 C ATOM 1085 OE1 GLU A 69 7.916 -5.253 0.728 1.00 0.00 O ATOM 1086 OE2 GLU A 69 9.011 -5.432 -1.120 1.00 0.00 O ATOM 0 H GLU A 69 9.061 -9.477 3.080 1.00 0.00 H new ATOM 0 HA GLU A 69 11.192 -7.443 2.743 1.00 0.00 H new ATOM 0 HB2 GLU A 69 8.978 -8.390 1.341 1.00 0.00 H new ATOM 0 HB3 GLU A 69 8.284 -6.985 2.124 1.00 0.00 H new ATOM 0 HG2 GLU A 69 10.640 -5.885 1.271 1.00 0.00 H new ATOM 0 HG3 GLU A 69 10.451 -7.123 0.044 1.00 0.00 H new ATOM 1093 N LEU A 70 10.011 -5.413 3.953 1.00 0.00 N ATOM 1094 CA LEU A 70 9.636 -4.418 5.003 1.00 0.00 C ATOM 1095 C LEU A 70 8.214 -3.891 4.768 1.00 0.00 C ATOM 1096 O LEU A 70 7.949 -2.715 4.930 1.00 0.00 O ATOM 1097 CB LEU A 70 10.657 -3.288 4.851 1.00 0.00 C ATOM 1098 CG LEU A 70 10.838 -2.573 6.191 1.00 0.00 C ATOM 1099 CD1 LEU A 70 11.460 -3.532 7.207 1.00 0.00 C ATOM 1100 CD2 LEU A 70 11.761 -1.367 6.000 1.00 0.00 C ATOM 0 H LEU A 70 10.446 -5.017 3.120 1.00 0.00 H new ATOM 0 HA LEU A 70 9.645 -4.853 6.002 1.00 0.00 H new ATOM 0 HB2 LEU A 70 11.611 -3.690 4.511 1.00 0.00 H new ATOM 0 HB3 LEU A 70 10.321 -2.581 4.093 1.00 0.00 H new ATOM 0 HG LEU A 70 9.867 -2.239 6.557 1.00 0.00 H new ATOM 0 HD11 LEU A 70 11.588 -3.019 8.160 1.00 0.00 H new ATOM 0 HD12 LEU A 70 10.806 -4.393 7.343 1.00 0.00 H new ATOM 0 HD13 LEU A 70 12.431 -3.868 6.843 1.00 0.00 H new ATOM 0 HD21 LEU A 70 11.892 -0.855 6.953 1.00 0.00 H new ATOM 0 HD22 LEU A 70 12.730 -1.705 5.633 1.00 0.00 H new ATOM 0 HD23 LEU A 70 11.319 -0.681 5.277 1.00 0.00 H new ATOM 1112 N SER A 71 7.292 -4.759 4.428 1.00 0.00 N ATOM 1113 CA SER A 71 5.878 -4.319 4.230 1.00 0.00 C ATOM 1114 C SER A 71 5.040 -4.656 5.468 1.00 0.00 C ATOM 1115 O SER A 71 4.181 -5.517 5.430 1.00 0.00 O ATOM 1116 CB SER A 71 5.388 -5.105 3.013 1.00 0.00 C ATOM 1117 OG SER A 71 5.833 -6.452 3.113 1.00 0.00 O ATOM 0 H SER A 71 7.459 -5.754 4.279 1.00 0.00 H new ATOM 0 HA SER A 71 5.795 -3.243 4.079 1.00 0.00 H new ATOM 0 HB2 SER A 71 4.300 -5.073 2.959 1.00 0.00 H new ATOM 0 HB3 SER A 71 5.766 -4.652 2.097 1.00 0.00 H new ATOM 0 HG SER A 71 5.519 -6.959 2.335 1.00 0.00 H new ATOM 1123 N LYS A 72 5.263 -3.958 6.554 1.00 0.00 N ATOM 1124 CA LYS A 72 4.455 -4.205 7.787 1.00 0.00 C ATOM 1125 C LYS A 72 4.700 -3.093 8.811 1.00 0.00 C ATOM 1126 O LYS A 72 3.782 -2.617 9.453 1.00 0.00 O ATOM 1127 CB LYS A 72 4.951 -5.554 8.327 1.00 0.00 C ATOM 1128 CG LYS A 72 3.881 -6.627 8.105 1.00 0.00 C ATOM 1129 CD LYS A 72 4.553 -7.959 7.758 1.00 0.00 C ATOM 1130 CE LYS A 72 4.939 -8.687 9.047 1.00 0.00 C ATOM 1131 NZ LYS A 72 5.656 -9.912 8.595 1.00 0.00 N ATOM 0 H LYS A 72 5.970 -3.228 6.639 1.00 0.00 H new ATOM 0 HA LYS A 72 3.384 -4.218 7.583 1.00 0.00 H new ATOM 0 HB2 LYS A 72 5.875 -5.840 7.825 1.00 0.00 H new ATOM 0 HB3 LYS A 72 5.179 -5.469 9.390 1.00 0.00 H new ATOM 0 HG2 LYS A 72 3.272 -6.738 9.002 1.00 0.00 H new ATOM 0 HG3 LYS A 72 3.211 -6.326 7.300 1.00 0.00 H new ATOM 0 HD2 LYS A 72 3.876 -8.577 7.168 1.00 0.00 H new ATOM 0 HD3 LYS A 72 5.439 -7.783 7.148 1.00 0.00 H new ATOM 0 HE2 LYS A 72 5.576 -8.066 9.676 1.00 0.00 H new ATOM 0 HE3 LYS A 72 4.058 -8.940 9.637 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 5.954 -10.466 9.424 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 5.022 -10.487 8.004 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 6.493 -9.640 8.042 1.00 0.00 H new ATOM 1145 N THR A 73 5.928 -2.661 8.950 1.00 0.00 N ATOM 1146 CA THR A 73 6.237 -1.560 9.911 1.00 0.00 C ATOM 1147 C THR A 73 6.294 -0.216 9.181 1.00 0.00 C ATOM 1148 O THR A 73 6.990 0.694 9.592 1.00 0.00 O ATOM 1149 CB THR A 73 7.608 -1.913 10.489 1.00 0.00 C ATOM 1150 OG1 THR A 73 8.552 -2.020 9.433 1.00 0.00 O ATOM 1151 CG2 THR A 73 7.523 -3.245 11.236 1.00 0.00 C ATOM 0 H THR A 73 6.732 -3.025 8.438 1.00 0.00 H new ATOM 0 HA THR A 73 5.477 -1.466 10.687 1.00 0.00 H new ATOM 0 HB THR A 73 7.922 -1.131 11.181 1.00 0.00 H new ATOM 0 HG1 THR A 73 8.747 -1.128 9.077 1.00 0.00 H new ATOM 0 HG21 THR A 73 8.501 -3.495 11.647 1.00 0.00 H new ATOM 0 HG22 THR A 73 6.799 -3.162 12.047 1.00 0.00 H new ATOM 0 HG23 THR A 73 7.208 -4.029 10.547 1.00 0.00 H new ATOM 1159 N TYR A 74 5.534 -0.071 8.124 1.00 0.00 N ATOM 1160 CA TYR A 74 5.503 1.229 7.388 1.00 0.00 C ATOM 1161 C TYR A 74 4.148 1.415 6.700 1.00 0.00 C ATOM 1162 O TYR A 74 4.041 2.093 5.695 1.00 0.00 O ATOM 1163 CB TYR A 74 6.624 1.124 6.353 1.00 0.00 C ATOM 1164 CG TYR A 74 7.959 1.109 7.058 1.00 0.00 C ATOM 1165 CD1 TYR A 74 8.538 2.311 7.484 1.00 0.00 C ATOM 1166 CD2 TYR A 74 8.617 -0.105 7.288 1.00 0.00 C ATOM 1167 CE1 TYR A 74 9.775 2.299 8.139 1.00 0.00 C ATOM 1168 CE2 TYR A 74 9.854 -0.117 7.943 1.00 0.00 C ATOM 1169 CZ TYR A 74 10.433 1.085 8.369 1.00 0.00 C ATOM 1170 OH TYR A 74 11.652 1.072 9.016 1.00 0.00 O ATOM 0 H TYR A 74 4.933 -0.799 7.739 1.00 0.00 H new ATOM 0 HA TYR A 74 5.640 2.084 8.051 1.00 0.00 H new ATOM 0 HB2 TYR A 74 6.503 0.217 5.761 1.00 0.00 H new ATOM 0 HB3 TYR A 74 6.575 1.965 5.661 1.00 0.00 H new ATOM 0 HD1 TYR A 74 8.030 3.247 7.307 1.00 0.00 H new ATOM 0 HD2 TYR A 74 8.170 -1.032 6.960 1.00 0.00 H new ATOM 0 HE1 TYR A 74 10.222 3.226 8.467 1.00 0.00 H new ATOM 0 HE2 TYR A 74 10.362 -1.053 8.120 1.00 0.00 H new ATOM 0 HH TYR A 74 11.970 0.149 9.095 1.00 0.00 H new ATOM 1180 N ILE A 75 3.108 0.850 7.258 1.00 0.00 N ATOM 1181 CA ILE A 75 1.745 1.026 6.670 1.00 0.00 C ATOM 1182 C ILE A 75 0.958 2.056 7.488 1.00 0.00 C ATOM 1183 O ILE A 75 1.330 2.392 8.596 1.00 0.00 O ATOM 1184 CB ILE A 75 1.084 -0.357 6.752 1.00 0.00 C ATOM 1185 CG1 ILE A 75 1.952 -1.393 6.029 1.00 0.00 C ATOM 1186 CG2 ILE A 75 -0.289 -0.306 6.083 1.00 0.00 C ATOM 1187 CD1 ILE A 75 1.403 -2.796 6.299 1.00 0.00 C ATOM 0 H ILE A 75 3.144 0.273 8.098 1.00 0.00 H new ATOM 0 HA ILE A 75 1.779 1.389 5.643 1.00 0.00 H new ATOM 0 HB ILE A 75 0.977 -0.638 7.800 1.00 0.00 H new ATOM 0 HG12 ILE A 75 1.959 -1.193 4.957 1.00 0.00 H new ATOM 0 HG13 ILE A 75 2.984 -1.322 6.373 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -0.759 -1.288 6.141 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -0.915 0.426 6.593 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -0.174 -0.020 5.037 1.00 0.00 H new ATOM 0 HD11 ILE A 75 2.020 -3.533 5.785 1.00 0.00 H new ATOM 0 HD12 ILE A 75 1.419 -2.993 7.371 1.00 0.00 H new ATOM 0 HD13 ILE A 75 0.378 -2.862 5.934 1.00 0.00 H new ATOM 1199 N ILE A 76 -0.127 2.557 6.951 1.00 0.00 N ATOM 1200 CA ILE A 76 -0.942 3.567 7.699 1.00 0.00 C ATOM 1201 C ILE A 76 -2.382 3.077 7.894 1.00 0.00 C ATOM 1202 O ILE A 76 -3.006 3.363 8.898 1.00 0.00 O ATOM 1203 CB ILE A 76 -0.914 4.834 6.837 1.00 0.00 C ATOM 1204 CG1 ILE A 76 -1.463 4.532 5.436 1.00 0.00 C ATOM 1205 CG2 ILE A 76 0.526 5.333 6.721 1.00 0.00 C ATOM 1206 CD1 ILE A 76 -1.554 5.825 4.626 1.00 0.00 C ATOM 0 H ILE A 76 -0.484 2.311 6.028 1.00 0.00 H new ATOM 0 HA ILE A 76 -0.540 3.745 8.696 1.00 0.00 H new ATOM 0 HB ILE A 76 -1.535 5.598 7.305 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -0.815 3.818 4.927 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -2.447 4.070 5.513 1.00 0.00 H new ATOM 0 HG21 ILE A 76 0.551 6.234 6.108 1.00 0.00 H new ATOM 0 HG22 ILE A 76 0.914 5.559 7.714 1.00 0.00 H new ATOM 0 HG23 ILE A 76 1.142 4.562 6.257 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -1.944 5.605 3.632 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -2.220 6.525 5.131 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -0.562 6.269 4.536 1.00 0.00 H new ATOM 1218 N GLY A 77 -2.904 2.327 6.957 1.00 0.00 N ATOM 1219 CA GLY A 77 -4.294 1.801 7.104 1.00 0.00 C ATOM 1220 C GLY A 77 -4.633 0.900 5.918 1.00 0.00 C ATOM 1221 O GLY A 77 -3.760 0.324 5.297 1.00 0.00 O ATOM 0 H GLY A 77 -2.427 2.056 6.097 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -4.385 1.242 8.035 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -5.002 2.628 7.159 1.00 0.00 H new ATOM 1225 N GLU A 78 -5.896 0.791 5.588 1.00 0.00 N ATOM 1226 CA GLU A 78 -6.297 -0.057 4.428 1.00 0.00 C ATOM 1227 C GLU A 78 -7.270 0.701 3.517 1.00 0.00 C ATOM 1228 O GLU A 78 -7.495 1.885 3.683 1.00 0.00 O ATOM 1229 CB GLU A 78 -6.987 -1.272 5.042 1.00 0.00 C ATOM 1230 CG GLU A 78 -5.934 -2.273 5.523 1.00 0.00 C ATOM 1231 CD GLU A 78 -6.623 -3.560 5.984 1.00 0.00 C ATOM 1232 OE1 GLU A 78 -7.721 -3.468 6.507 1.00 0.00 O ATOM 1233 OE2 GLU A 78 -6.039 -4.617 5.805 1.00 0.00 O ATOM 0 H GLU A 78 -6.665 1.253 6.073 1.00 0.00 H new ATOM 0 HA GLU A 78 -5.440 -0.336 3.815 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -7.616 -0.962 5.876 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -7.641 -1.742 4.307 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -5.232 -2.492 4.719 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -5.357 -1.844 6.342 1.00 0.00 H new ATOM 1240 N LEU A 79 -7.876 0.010 2.583 1.00 0.00 N ATOM 1241 CA LEU A 79 -8.872 0.662 1.683 1.00 0.00 C ATOM 1242 C LEU A 79 -10.294 0.436 2.205 1.00 0.00 C ATOM 1243 O LEU A 79 -10.545 -0.480 2.966 1.00 0.00 O ATOM 1244 CB LEU A 79 -8.688 -0.028 0.332 1.00 0.00 C ATOM 1245 CG LEU A 79 -9.156 0.904 -0.783 1.00 0.00 C ATOM 1246 CD1 LEU A 79 -8.206 2.094 -0.877 1.00 0.00 C ATOM 1247 CD2 LEU A 79 -9.159 0.149 -2.114 1.00 0.00 C ATOM 0 H LEU A 79 -7.721 -0.983 2.406 1.00 0.00 H new ATOM 0 HA LEU A 79 -8.726 1.740 1.621 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -7.640 -0.291 0.185 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -9.256 -0.958 0.306 1.00 0.00 H new ATOM 0 HG LEU A 79 -10.164 1.256 -0.564 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -8.537 2.762 -1.672 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -8.202 2.632 0.071 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -7.199 1.739 -1.097 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -9.493 0.815 -2.909 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -8.151 -0.203 -2.335 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -9.835 -0.704 -2.047 1.00 0.00 H new ATOM 1259 N HIS A 80 -11.234 1.224 1.748 1.00 0.00 N ATOM 1260 CA HIS A 80 -12.656 1.018 2.153 1.00 0.00 C ATOM 1261 C HIS A 80 -13.323 -0.019 1.231 1.00 0.00 C ATOM 1262 O HIS A 80 -12.992 -0.100 0.066 1.00 0.00 O ATOM 1263 CB HIS A 80 -13.318 2.387 1.985 1.00 0.00 C ATOM 1264 CG HIS A 80 -14.636 2.401 2.711 1.00 0.00 C ATOM 1265 ND1 HIS A 80 -15.848 2.343 2.041 1.00 0.00 N ATOM 1266 CD2 HIS A 80 -14.947 2.466 4.046 1.00 0.00 C ATOM 1267 CE1 HIS A 80 -16.824 2.375 2.967 1.00 0.00 C ATOM 1268 NE2 HIS A 80 -16.329 2.450 4.206 1.00 0.00 N ATOM 0 H HIS A 80 -11.076 2.004 1.110 1.00 0.00 H new ATOM 0 HA HIS A 80 -12.746 0.644 3.173 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -12.667 3.168 2.377 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -13.471 2.601 0.927 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -14.228 2.521 4.850 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -17.879 2.344 2.737 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -16.852 2.487 5.081 1.00 0.00 H new ATOM 1276 N PRO A 81 -14.244 -0.788 1.780 1.00 0.00 N ATOM 1277 CA PRO A 81 -14.948 -1.829 0.975 1.00 0.00 C ATOM 1278 C PRO A 81 -15.574 -1.228 -0.294 1.00 0.00 C ATOM 1279 O PRO A 81 -15.836 -1.930 -1.253 1.00 0.00 O ATOM 1280 CB PRO A 81 -16.040 -2.333 1.917 1.00 0.00 C ATOM 1281 CG PRO A 81 -15.531 -2.035 3.289 1.00 0.00 C ATOM 1282 CD PRO A 81 -14.713 -0.777 3.177 1.00 0.00 C ATOM 0 HA PRO A 81 -14.274 -2.615 0.633 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -16.988 -1.829 1.729 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -16.215 -3.401 1.784 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -16.356 -1.900 3.988 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -14.925 -2.859 3.666 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -15.310 0.109 3.392 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -13.879 -0.778 3.879 1.00 0.00 H new ATOM 1290 N ASP A 82 -15.822 0.059 -0.304 1.00 0.00 N ATOM 1291 CA ASP A 82 -16.439 0.704 -1.507 1.00 0.00 C ATOM 1292 C ASP A 82 -15.582 0.461 -2.754 1.00 0.00 C ATOM 1293 O ASP A 82 -16.025 -0.150 -3.710 1.00 0.00 O ATOM 1294 CB ASP A 82 -16.490 2.199 -1.181 1.00 0.00 C ATOM 1295 CG ASP A 82 -17.285 2.931 -2.264 1.00 0.00 C ATOM 1296 OD1 ASP A 82 -18.404 2.524 -2.528 1.00 0.00 O ATOM 1297 OD2 ASP A 82 -16.759 3.886 -2.812 1.00 0.00 O ATOM 0 H ASP A 82 -15.624 0.693 0.470 1.00 0.00 H new ATOM 0 HA ASP A 82 -17.427 0.296 -1.720 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -16.954 2.354 -0.207 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -15.480 2.604 -1.121 1.00 0.00 H new ATOM 1302 N ASP A 83 -14.360 0.931 -2.750 1.00 0.00 N ATOM 1303 CA ASP A 83 -13.469 0.728 -3.932 1.00 0.00 C ATOM 1304 C ASP A 83 -12.767 -0.632 -3.861 1.00 0.00 C ATOM 1305 O ASP A 83 -12.351 -1.172 -4.869 1.00 0.00 O ATOM 1306 CB ASP A 83 -12.450 1.865 -3.855 1.00 0.00 C ATOM 1307 CG ASP A 83 -12.979 3.073 -4.629 1.00 0.00 C ATOM 1308 OD1 ASP A 83 -13.108 2.968 -5.838 1.00 0.00 O ATOM 1309 OD2 ASP A 83 -13.247 4.084 -4.000 1.00 0.00 O ATOM 0 H ASP A 83 -13.940 1.448 -1.977 1.00 0.00 H new ATOM 0 HA ASP A 83 -14.026 0.736 -4.869 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -12.269 2.136 -2.815 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -11.496 1.542 -4.271 1.00 0.00 H new ATOM 1314 N ARG A 84 -12.659 -1.207 -2.685 1.00 0.00 N ATOM 1315 CA ARG A 84 -12.013 -2.557 -2.557 1.00 0.00 C ATOM 1316 C ARG A 84 -12.692 -3.570 -3.491 1.00 0.00 C ATOM 1317 O ARG A 84 -12.071 -4.112 -4.386 1.00 0.00 O ATOM 1318 CB ARG A 84 -12.210 -2.966 -1.089 1.00 0.00 C ATOM 1319 CG ARG A 84 -10.854 -3.039 -0.382 1.00 0.00 C ATOM 1320 CD ARG A 84 -11.041 -2.751 1.110 1.00 0.00 C ATOM 1321 NE ARG A 84 -11.749 -3.953 1.650 1.00 0.00 N ATOM 1322 CZ ARG A 84 -12.441 -3.898 2.772 1.00 0.00 C ATOM 1323 NH1 ARG A 84 -12.501 -2.800 3.490 1.00 0.00 N ATOM 1324 NH2 ARG A 84 -13.079 -4.960 3.179 1.00 0.00 N ATOM 0 H ARG A 84 -12.989 -0.802 -1.809 1.00 0.00 H new ATOM 0 HA ARG A 84 -10.959 -2.529 -2.833 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -12.854 -2.246 -0.585 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -12.710 -3.933 -1.036 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -10.412 -4.026 -0.520 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -10.164 -2.317 -0.819 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -10.082 -2.601 1.606 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -11.626 -1.845 1.267 1.00 0.00 H new ATOM 0 HE ARG A 84 -11.696 -4.834 1.140 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -12.005 -1.963 3.184 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -13.043 -2.784 4.354 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -13.039 -5.820 2.632 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -13.618 -4.931 4.045 1.00 0.00 H new ATOM 1338 N SER A 85 -13.970 -3.789 -3.312 1.00 0.00 N ATOM 1339 CA SER A 85 -14.707 -4.723 -4.215 1.00 0.00 C ATOM 1340 C SER A 85 -15.279 -3.958 -5.413 1.00 0.00 C ATOM 1341 O SER A 85 -14.747 -4.016 -6.506 1.00 0.00 O ATOM 1342 CB SER A 85 -15.833 -5.300 -3.355 1.00 0.00 C ATOM 1343 OG SER A 85 -16.434 -4.252 -2.605 1.00 0.00 O ATOM 0 H SER A 85 -14.535 -3.361 -2.579 1.00 0.00 H new ATOM 0 HA SER A 85 -14.063 -5.505 -4.617 1.00 0.00 H new ATOM 0 HB2 SER A 85 -16.578 -5.784 -3.987 1.00 0.00 H new ATOM 0 HB3 SER A 85 -15.439 -6.064 -2.684 1.00 0.00 H new ATOM 0 HG SER A 85 -17.387 -4.196 -2.827 1.00 0.00 H new ATOM 1349 N LYS A 86 -16.329 -3.203 -5.202 1.00 0.00 N ATOM 1350 CA LYS A 86 -16.908 -2.383 -6.309 1.00 0.00 C ATOM 1351 C LYS A 86 -17.955 -1.416 -5.745 1.00 0.00 C ATOM 1352 O LYS A 86 -17.690 -0.244 -5.561 1.00 0.00 O ATOM 1353 CB LYS A 86 -17.558 -3.395 -7.265 1.00 0.00 C ATOM 1354 CG LYS A 86 -16.787 -3.428 -8.588 1.00 0.00 C ATOM 1355 CD LYS A 86 -17.273 -2.292 -9.493 1.00 0.00 C ATOM 1356 CE LYS A 86 -16.097 -1.746 -10.307 1.00 0.00 C ATOM 1357 NZ LYS A 86 -16.655 -1.494 -11.664 1.00 0.00 N ATOM 0 H LYS A 86 -16.811 -3.120 -4.307 1.00 0.00 H new ATOM 0 HA LYS A 86 -16.156 -1.780 -6.818 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -17.563 -4.386 -6.812 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -18.598 -3.122 -7.446 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -15.718 -3.326 -8.401 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -16.933 -4.388 -9.082 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -18.054 -2.655 -10.161 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -17.712 -1.497 -8.891 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -15.702 -0.831 -9.866 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -15.276 -2.462 -10.344 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -15.908 -1.118 -12.282 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -17.017 -2.384 -12.061 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -17.430 -0.804 -11.598 1.00 0.00 H new ATOM 1371 N ILE A 87 -19.124 -1.914 -5.423 1.00 0.00 N ATOM 1372 CA ILE A 87 -20.174 -1.040 -4.817 1.00 0.00 C ATOM 1373 C ILE A 87 -20.841 -1.763 -3.642 1.00 0.00 C ATOM 1374 O ILE A 87 -22.049 -1.908 -3.595 1.00 0.00 O ATOM 1375 CB ILE A 87 -21.187 -0.786 -5.941 1.00 0.00 C ATOM 1376 CG1 ILE A 87 -20.486 -0.135 -7.147 1.00 0.00 C ATOM 1377 CG2 ILE A 87 -22.301 0.135 -5.434 1.00 0.00 C ATOM 1378 CD1 ILE A 87 -19.861 1.210 -6.748 1.00 0.00 C ATOM 0 H ILE A 87 -19.396 -2.888 -5.554 1.00 0.00 H new ATOM 0 HA ILE A 87 -19.763 -0.108 -4.429 1.00 0.00 H new ATOM 0 HB ILE A 87 -21.618 -1.738 -6.252 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -19.713 -0.802 -7.529 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -21.204 0.016 -7.953 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -23.019 0.313 -6.235 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -22.807 -0.336 -4.591 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -21.871 1.084 -5.114 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -19.370 1.654 -7.614 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -20.641 1.881 -6.389 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -19.128 1.050 -5.958 1.00 0.00 H new ATOM 1390 N ALA A 88 -20.064 -2.184 -2.677 1.00 0.00 N ATOM 1391 CA ALA A 88 -20.645 -2.862 -1.479 1.00 0.00 C ATOM 1392 C ALA A 88 -21.073 -1.823 -0.438 1.00 0.00 C ATOM 1393 O ALA A 88 -20.689 -1.893 0.715 1.00 0.00 O ATOM 1394 CB ALA A 88 -19.516 -3.738 -0.934 1.00 0.00 C ATOM 0 H ALA A 88 -19.049 -2.087 -2.667 1.00 0.00 H new ATOM 0 HA ALA A 88 -21.532 -3.447 -1.724 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -19.864 -4.272 -0.049 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -19.213 -4.457 -1.696 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -18.665 -3.111 -0.668 1.00 0.00 H new ATOM 1400 N LYS A 89 -21.900 -0.887 -0.829 1.00 0.00 N ATOM 1401 CA LYS A 89 -22.399 0.135 0.142 1.00 0.00 C ATOM 1402 C LYS A 89 -23.626 -0.400 0.905 1.00 0.00 C ATOM 1403 O LYS A 89 -23.661 -0.332 2.117 1.00 0.00 O ATOM 1404 CB LYS A 89 -22.773 1.354 -0.710 1.00 0.00 C ATOM 1405 CG LYS A 89 -22.132 2.615 -0.122 1.00 0.00 C ATOM 1406 CD LYS A 89 -23.051 3.814 -0.358 1.00 0.00 C ATOM 1407 CE LYS A 89 -22.669 4.500 -1.671 1.00 0.00 C ATOM 1408 NZ LYS A 89 -22.902 5.950 -1.430 1.00 0.00 N ATOM 0 H LYS A 89 -22.252 -0.786 -1.781 1.00 0.00 H new ATOM 0 HA LYS A 89 -21.650 0.385 0.894 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -22.436 1.209 -1.736 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -23.857 1.467 -0.743 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -21.957 2.482 0.946 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -21.161 2.791 -0.585 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -24.090 3.487 -0.395 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -22.968 4.518 0.470 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -21.628 4.305 -1.930 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -23.277 4.135 -2.499 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -22.662 6.487 -2.287 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -23.902 6.106 -1.192 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -22.305 6.271 -0.641 1.00 0.00 H new ATOM 1422 N PRO A 90 -24.604 -0.918 0.180 1.00 0.00 N ATOM 1423 CA PRO A 90 -25.829 -1.460 0.839 1.00 0.00 C ATOM 1424 C PRO A 90 -25.465 -2.466 1.939 1.00 0.00 C ATOM 1425 O PRO A 90 -24.388 -3.031 1.942 1.00 0.00 O ATOM 1426 CB PRO A 90 -26.571 -2.159 -0.298 1.00 0.00 C ATOM 1427 CG PRO A 90 -26.095 -1.485 -1.543 1.00 0.00 C ATOM 1428 CD PRO A 90 -24.678 -1.050 -1.287 1.00 0.00 C ATOM 0 HA PRO A 90 -26.421 -0.684 1.324 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -26.349 -3.226 -0.317 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -27.651 -2.060 -0.184 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -26.143 -2.165 -2.393 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -26.725 -0.629 -1.784 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -23.962 -1.783 -1.658 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -24.454 -0.106 -1.784 1.00 0.00 H new ATOM 1436 N SER A 91 -26.375 -2.718 2.847 1.00 0.00 N ATOM 1437 CA SER A 91 -26.109 -3.719 3.924 1.00 0.00 C ATOM 1438 C SER A 91 -27.407 -4.057 4.663 1.00 0.00 C ATOM 1439 O SER A 91 -27.650 -3.583 5.757 1.00 0.00 O ATOM 1440 CB SER A 91 -25.117 -3.034 4.864 1.00 0.00 C ATOM 1441 OG SER A 91 -24.562 -4.002 5.745 1.00 0.00 O ATOM 0 H SER A 91 -27.292 -2.273 2.888 1.00 0.00 H new ATOM 0 HA SER A 91 -25.716 -4.656 3.531 1.00 0.00 H new ATOM 0 HB2 SER A 91 -24.326 -2.552 4.289 1.00 0.00 H new ATOM 0 HB3 SER A 91 -25.618 -2.252 5.434 1.00 0.00 H new ATOM 0 HG SER A 91 -23.924 -3.567 6.349 1.00 0.00 H new ATOM 1447 N GLU A 92 -28.222 -4.904 4.086 1.00 0.00 N ATOM 1448 CA GLU A 92 -29.487 -5.315 4.766 1.00 0.00 C ATOM 1449 C GLU A 92 -30.063 -6.567 4.098 1.00 0.00 C ATOM 1450 O GLU A 92 -30.000 -7.655 4.641 1.00 0.00 O ATOM 1451 CB GLU A 92 -30.435 -4.129 4.589 1.00 0.00 C ATOM 1452 CG GLU A 92 -30.373 -3.234 5.829 1.00 0.00 C ATOM 1453 CD GLU A 92 -31.747 -2.610 6.079 1.00 0.00 C ATOM 1454 OE1 GLU A 92 -32.734 -3.303 5.892 1.00 0.00 O ATOM 1455 OE2 GLU A 92 -31.789 -1.449 6.451 1.00 0.00 O ATOM 0 H GLU A 92 -28.065 -5.329 3.172 1.00 0.00 H new ATOM 0 HA GLU A 92 -29.331 -5.559 5.817 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -30.159 -3.559 3.702 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -31.454 -4.484 4.435 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -30.064 -3.817 6.696 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -29.627 -2.452 5.689 1.00 0.00 H new ATOM 1462 N THR A 93 -30.589 -6.425 2.907 1.00 0.00 N ATOM 1463 CA THR A 93 -31.131 -7.609 2.176 1.00 0.00 C ATOM 1464 C THR A 93 -29.997 -8.365 1.479 1.00 0.00 C ATOM 1465 O THR A 93 -28.870 -7.908 1.437 1.00 0.00 O ATOM 1466 CB THR A 93 -32.101 -7.027 1.146 1.00 0.00 C ATOM 1467 OG1 THR A 93 -32.870 -5.996 1.749 1.00 0.00 O ATOM 1468 CG2 THR A 93 -33.033 -8.130 0.639 1.00 0.00 C ATOM 0 H THR A 93 -30.666 -5.538 2.409 1.00 0.00 H new ATOM 0 HA THR A 93 -31.621 -8.318 2.843 1.00 0.00 H new ATOM 0 HB THR A 93 -31.537 -6.617 0.308 1.00 0.00 H new ATOM 0 HG1 THR A 93 -33.490 -5.622 1.089 1.00 0.00 H new ATOM 0 HG21 THR A 93 -33.724 -7.714 -0.095 1.00 0.00 H new ATOM 0 HG22 THR A 93 -32.443 -8.920 0.175 1.00 0.00 H new ATOM 0 HG23 THR A 93 -33.597 -8.542 1.475 1.00 0.00 H new ATOM 1476 N LEU A 94 -30.299 -9.500 0.899 1.00 0.00 N ATOM 1477 CA LEU A 94 -29.254 -10.271 0.162 1.00 0.00 C ATOM 1478 C LEU A 94 -29.058 -9.689 -1.241 1.00 0.00 C ATOM 1479 O LEU A 94 -30.051 -9.345 -1.862 1.00 0.00 O ATOM 1480 CB LEU A 94 -29.799 -11.697 0.079 1.00 0.00 C ATOM 1481 CG LEU A 94 -29.246 -12.523 1.242 1.00 0.00 C ATOM 1482 CD1 LEU A 94 -30.028 -12.199 2.516 1.00 0.00 C ATOM 1483 CD2 LEU A 94 -29.389 -14.012 0.922 1.00 0.00 C ATOM 1484 OXT LEU A 94 -27.920 -9.598 -1.670 1.00 0.00 O ATOM 0 H LEU A 94 -31.226 -9.926 0.905 1.00 0.00 H new ATOM 0 HA LEU A 94 -28.285 -10.233 0.660 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -30.888 -11.684 0.114 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -29.516 -12.151 -0.871 1.00 0.00 H new ATOM 0 HG LEU A 94 -28.194 -12.282 1.391 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -29.634 -12.788 3.344 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -29.928 -11.138 2.745 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -31.081 -12.440 2.368 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -28.995 -14.602 1.750 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -30.442 -14.253 0.773 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -28.832 -14.244 0.014 1.00 0.00 H new TER 1496 LEU A 94