USER MOD reduce.3.24.130724 H: found=0, std=0, add=530, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 529 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 59 SER OG : rot 180:sc=0.000175 USER MOD Set 1.2: A 60 GLN : amide:sc= -1.37 X(o=-1.4,f=-0.96) USER MOD Set 1.3: A 78 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 13 THR OG1 : rot -74:sc= 0.00954 USER MOD Set 2.2: A 54 HIS : no HD1:sc= -0.398 X(o=-0.39,f=-0.0015) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0.00468 USER MOD Single : A 12 CYS SG : rot 37:sc= 0.348 USER MOD Single : A 19 GLN : amide:sc= -0.194 X(o=-0.19,f=-0.61) USER MOD Single : A 20 MET CE :methyl 139:sc= -0.0775 (180deg=-2.45!) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc=-0.00841 X(o=-0.0084,f=-0.0084) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot -150:sc= 0 USER MOD Single : A 34 GLN : amide:sc= -0.0486 K(o=-0.049,f=-1.7) USER MOD Single : A 40 GLN : amide:sc= -0.247 K(o=-0.25,f=-1) USER MOD Single : A 45 HIS : no HD1:sc= -0.0743 X(o=-0.074,f=-0.18) USER MOD Single : A 49 GLN : amide:sc= 0.645 K(o=0.65,f=0) USER MOD Single : A 50 MET CE :methyl -161:sc= -0.0224 (180deg=-0.26) USER MOD Single : A 55 THR OG1 : rot 32:sc= 1.57 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 69 THR OG1 : rot -56:sc= 1.58 USER MOD Single : A 72 GLN : amide:sc= 0.823 K(o=0.82,f=0) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 9 -9.785 3.512 14.217 1.00 1.95 N ATOM 2 CA GLY A 9 -8.747 3.892 13.265 1.00 1.06 C ATOM 3 C GLY A 9 -7.524 4.506 13.947 1.00 1.43 C ATOM 4 O GLY A 9 -6.714 3.797 14.541 1.00 3.56 O ATOM 0 HA2 GLY A 9 -8.440 3.014 12.697 1.00 1.06 H new ATOM 0 HA3 GLY A 9 -9.157 4.606 12.551 1.00 1.06 H new ATOM 8 N THR A 10 -7.416 5.829 13.833 1.00 0.93 N ATOM 9 CA THR A 10 -6.247 6.696 14.056 1.00 0.77 C ATOM 10 C THR A 10 -4.980 6.297 13.289 1.00 0.62 C ATOM 11 O THR A 10 -4.788 5.154 12.870 1.00 0.61 O ATOM 12 CB THR A 10 -5.998 7.067 15.528 1.00 1.05 C ATOM 13 OG1 THR A 10 -5.115 8.168 15.583 1.00 1.13 O ATOM 14 CG2 THR A 10 -5.366 5.974 16.383 1.00 1.21 C ATOM 0 H THR A 10 -8.226 6.382 13.554 1.00 0.93 H new ATOM 0 HA THR A 10 -6.546 7.633 13.585 1.00 0.77 H new ATOM 0 HB THR A 10 -6.990 7.269 15.932 1.00 1.05 H new ATOM 0 HG1 THR A 10 -4.953 8.411 16.518 1.00 1.13 H new ATOM 0 HG21 THR A 10 -5.234 6.339 17.401 1.00 1.21 H new ATOM 0 HG22 THR A 10 -6.015 5.099 16.393 1.00 1.21 H new ATOM 0 HG23 THR A 10 -4.396 5.702 15.967 1.00 1.21 H new ATOM 22 N LEU A 11 -4.143 7.297 13.010 1.00 0.58 N ATOM 23 CA LEU A 11 -3.073 7.210 12.024 1.00 0.51 C ATOM 24 C LEU A 11 -1.921 6.344 12.549 1.00 0.53 C ATOM 25 O LEU A 11 -1.451 6.521 13.674 1.00 0.63 O ATOM 26 CB LEU A 11 -2.602 8.631 11.671 1.00 0.53 C ATOM 27 CG LEU A 11 -2.117 8.897 10.238 1.00 0.81 C ATOM 28 CD1 LEU A 11 -0.977 8.010 9.754 1.00 1.99 C ATOM 29 CD2 LEU A 11 -3.258 8.793 9.224 1.00 1.18 C ATOM 0 H LEU A 11 -4.193 8.205 13.473 1.00 0.58 H new ATOM 0 HA LEU A 11 -3.444 6.729 11.119 1.00 0.51 H new ATOM 0 HB2 LEU A 11 -3.425 9.316 11.877 1.00 0.53 H new ATOM 0 HB3 LEU A 11 -1.791 8.892 12.351 1.00 0.53 H new ATOM 0 HG LEU A 11 -1.730 9.914 10.297 1.00 0.81 H new ATOM 0 HD11 LEU A 11 -0.713 8.282 8.732 1.00 1.99 H new ATOM 0 HD12 LEU A 11 -0.110 8.146 10.401 1.00 1.99 H new ATOM 0 HD13 LEU A 11 -1.291 6.966 9.782 1.00 1.99 H new ATOM 0 HD21 LEU A 11 -2.874 8.988 8.223 1.00 1.18 H new ATOM 0 HD22 LEU A 11 -3.686 7.791 9.260 1.00 1.18 H new ATOM 0 HD23 LEU A 11 -4.028 9.526 9.466 1.00 1.18 H new ATOM 41 N CYS A 12 -1.494 5.422 11.698 1.00 0.46 N ATOM 42 CA CYS A 12 -0.335 4.539 11.826 1.00 0.55 C ATOM 43 C CYS A 12 0.143 4.126 10.420 1.00 0.37 C ATOM 44 O CYS A 12 -0.643 4.131 9.469 1.00 0.37 O ATOM 45 CB CYS A 12 -0.732 3.309 12.657 1.00 0.80 C ATOM 46 SG CYS A 12 -0.436 3.626 14.419 1.00 2.00 S ATOM 0 H CYS A 12 -1.991 5.255 10.823 1.00 0.46 H new ATOM 0 HA CYS A 12 0.483 5.052 12.333 1.00 0.55 H new ATOM 0 HB2 CYS A 12 -1.784 3.074 12.493 1.00 0.80 H new ATOM 0 HB3 CYS A 12 -0.157 2.441 12.334 1.00 0.80 H new ATOM 0 HG CYS A 12 -0.715 4.866 14.690 1.00 2.00 H new ATOM 52 N THR A 13 1.409 3.736 10.270 1.00 0.40 N ATOM 53 CA THR A 13 1.887 3.086 9.037 1.00 0.33 C ATOM 54 C THR A 13 1.489 1.608 8.995 1.00 0.50 C ATOM 55 O THR A 13 1.497 0.902 10.006 1.00 0.94 O ATOM 56 CB THR A 13 3.401 3.249 8.831 1.00 0.47 C ATOM 57 OG1 THR A 13 3.756 4.611 8.915 1.00 0.60 O ATOM 58 CG2 THR A 13 3.857 2.755 7.453 1.00 0.71 C ATOM 0 H THR A 13 2.127 3.856 10.984 1.00 0.40 H new ATOM 0 HA THR A 13 1.396 3.598 8.210 1.00 0.33 H new ATOM 0 HB THR A 13 3.882 2.656 9.609 1.00 0.47 H new ATOM 0 HG1 THR A 13 3.469 5.075 8.101 1.00 0.60 H new ATOM 0 HG21 THR A 13 4.934 2.891 7.356 1.00 0.71 H new ATOM 0 HG22 THR A 13 3.614 1.698 7.347 1.00 0.71 H new ATOM 0 HG23 THR A 13 3.348 3.324 6.676 1.00 0.71 H new ATOM 66 N LEU A 14 1.172 1.124 7.797 1.00 0.27 N ATOM 67 CA LEU A 14 1.113 -0.288 7.421 1.00 0.26 C ATOM 68 C LEU A 14 2.102 -0.590 6.295 1.00 0.30 C ATOM 69 O LEU A 14 2.353 0.262 5.460 1.00 0.33 O ATOM 70 CB LEU A 14 -0.323 -0.642 7.065 1.00 0.32 C ATOM 71 CG LEU A 14 -1.016 -1.117 8.348 1.00 0.46 C ATOM 72 CD1 LEU A 14 -2.501 -1.031 8.166 1.00 1.68 C ATOM 73 CD2 LEU A 14 -0.682 -2.572 8.647 1.00 2.48 C ATOM 0 H LEU A 14 0.936 1.740 7.019 1.00 0.27 H new ATOM 0 HA LEU A 14 1.414 -0.917 8.259 1.00 0.26 H new ATOM 0 HB2 LEU A 14 -0.839 0.224 6.649 1.00 0.32 H new ATOM 0 HB3 LEU A 14 -0.348 -1.423 6.305 1.00 0.32 H new ATOM 0 HG LEU A 14 -0.672 -0.484 9.167 1.00 0.46 H new ATOM 0 HD11 LEU A 14 -2.999 -1.368 9.075 1.00 1.68 H new ATOM 0 HD12 LEU A 14 -2.783 0.001 7.959 1.00 1.68 H new ATOM 0 HD13 LEU A 14 -2.803 -1.664 7.332 1.00 1.68 H new ATOM 0 HD21 LEU A 14 -1.187 -2.881 9.562 1.00 2.48 H new ATOM 0 HD22 LEU A 14 -1.014 -3.199 7.820 1.00 2.48 H new ATOM 0 HD23 LEU A 14 0.395 -2.679 8.774 1.00 2.48 H new ATOM 85 N GLU A 15 2.662 -1.792 6.293 1.00 0.53 N ATOM 86 CA GLU A 15 3.936 -2.150 5.612 1.00 0.35 C ATOM 87 C GLU A 15 3.825 -3.507 4.894 1.00 0.20 C ATOM 88 O GLU A 15 4.297 -4.578 5.284 1.00 0.40 O ATOM 89 CB GLU A 15 5.116 -2.165 6.604 1.00 0.52 C ATOM 90 CG GLU A 15 4.670 -2.899 7.828 1.00 2.41 C ATOM 91 CD GLU A 15 5.829 -3.350 8.724 1.00 2.84 C ATOM 92 OE1 GLU A 15 6.500 -4.356 8.387 1.00 3.69 O ATOM 93 OE2 GLU A 15 6.099 -2.707 9.761 1.00 3.24 O ATOM 0 H GLU A 15 2.241 -2.585 6.777 1.00 0.53 H new ATOM 0 HA GLU A 15 4.128 -1.382 4.863 1.00 0.35 H new ATOM 0 HB2 GLU A 15 5.983 -2.653 6.160 1.00 0.52 H new ATOM 0 HB3 GLU A 15 5.417 -1.148 6.856 1.00 0.52 H new ATOM 0 HG2 GLU A 15 4.003 -2.258 8.404 1.00 2.41 H new ATOM 0 HG3 GLU A 15 4.091 -3.773 7.528 1.00 2.41 H new ATOM 100 N PHE A 16 3.202 -3.411 3.748 1.00 0.26 N ATOM 101 CA PHE A 16 2.841 -4.567 2.921 1.00 0.21 C ATOM 102 C PHE A 16 3.913 -4.888 1.873 1.00 0.18 C ATOM 103 O PHE A 16 4.576 -4.007 1.339 1.00 0.30 O ATOM 104 CB PHE A 16 1.513 -4.321 2.193 1.00 0.30 C ATOM 105 CG PHE A 16 0.248 -4.362 3.010 1.00 0.37 C ATOM 106 CD1 PHE A 16 -0.207 -3.215 3.686 1.00 1.76 C ATOM 107 CD2 PHE A 16 -0.505 -5.550 3.041 1.00 2.32 C ATOM 108 CE1 PHE A 16 -1.437 -3.248 4.365 1.00 1.70 C ATOM 109 CE2 PHE A 16 -1.747 -5.574 3.700 1.00 2.41 C ATOM 110 CZ PHE A 16 -2.219 -4.419 4.345 1.00 0.59 C ATOM 0 H PHE A 16 2.920 -2.518 3.343 1.00 0.26 H new ATOM 0 HA PHE A 16 2.750 -5.414 3.601 1.00 0.21 H new ATOM 0 HB2 PHE A 16 1.570 -3.344 1.712 1.00 0.30 H new ATOM 0 HB3 PHE A 16 1.424 -5.062 1.399 1.00 0.30 H new ATOM 0 HD1 PHE A 16 0.387 -2.313 3.683 1.00 1.76 H new ATOM 0 HD2 PHE A 16 -0.130 -6.441 2.560 1.00 2.32 H new ATOM 0 HE1 PHE A 16 -1.782 -2.376 4.901 1.00 1.70 H new ATOM 0 HE2 PHE A 16 -2.337 -6.479 3.710 1.00 2.41 H new ATOM 0 HZ PHE A 16 -3.185 -4.429 4.827 1.00 0.59 H new ATOM 120 N ALA A 17 4.029 -6.169 1.543 1.00 0.22 N ATOM 121 CA ALA A 17 4.742 -6.708 0.383 1.00 0.25 C ATOM 122 C ALA A 17 3.770 -6.955 -0.788 1.00 0.26 C ATOM 123 O ALA A 17 2.608 -7.297 -0.570 1.00 0.39 O ATOM 124 CB ALA A 17 5.479 -7.988 0.792 1.00 0.35 C ATOM 0 H ALA A 17 3.605 -6.904 2.108 1.00 0.22 H new ATOM 0 HA ALA A 17 5.478 -5.982 0.037 1.00 0.25 H new ATOM 0 HB1 ALA A 17 6.011 -8.392 -0.069 1.00 0.35 H new ATOM 0 HB2 ALA A 17 6.192 -7.760 1.585 1.00 0.35 H new ATOM 0 HB3 ALA A 17 4.759 -8.723 1.152 1.00 0.35 H new ATOM 130 N VAL A 18 4.209 -6.755 -2.033 1.00 0.27 N ATOM 131 CA VAL A 18 3.353 -6.834 -3.239 1.00 0.30 C ATOM 132 C VAL A 18 4.062 -7.482 -4.428 1.00 0.40 C ATOM 133 O VAL A 18 5.291 -7.481 -4.509 1.00 0.62 O ATOM 134 CB VAL A 18 2.819 -5.444 -3.646 1.00 0.42 C ATOM 135 CG1 VAL A 18 1.694 -4.955 -2.723 1.00 0.47 C ATOM 136 CG2 VAL A 18 3.930 -4.405 -3.672 1.00 0.50 C ATOM 0 H VAL A 18 5.181 -6.530 -2.244 1.00 0.27 H new ATOM 0 HA VAL A 18 2.514 -7.473 -2.965 1.00 0.30 H new ATOM 0 HB VAL A 18 2.412 -5.564 -4.650 1.00 0.42 H new ATOM 0 HG11 VAL A 18 1.354 -3.973 -3.053 1.00 0.47 H new ATOM 0 HG12 VAL A 18 0.862 -5.658 -2.759 1.00 0.47 H new ATOM 0 HG13 VAL A 18 2.066 -4.886 -1.701 1.00 0.47 H new ATOM 0 HG21 VAL A 18 3.518 -3.439 -3.963 1.00 0.50 H new ATOM 0 HG22 VAL A 18 4.377 -4.326 -2.681 1.00 0.50 H new ATOM 0 HG23 VAL A 18 4.692 -4.705 -4.391 1.00 0.50 H new ATOM 146 N GLN A 19 3.293 -8.006 -5.388 1.00 0.36 N ATOM 147 CA GLN A 19 3.849 -8.524 -6.646 1.00 0.42 C ATOM 148 C GLN A 19 3.908 -7.418 -7.718 1.00 0.39 C ATOM 149 O GLN A 19 2.986 -7.257 -8.523 1.00 0.44 O ATOM 150 CB GLN A 19 3.024 -9.741 -7.119 1.00 0.56 C ATOM 151 CG GLN A 19 3.233 -10.988 -6.241 1.00 1.47 C ATOM 152 CD GLN A 19 2.349 -12.173 -6.643 1.00 2.20 C ATOM 153 OE1 GLN A 19 1.685 -12.197 -7.673 1.00 2.86 O ATOM 154 NE2 GLN A 19 2.264 -13.200 -5.834 1.00 3.09 N ATOM 0 H GLN A 19 2.278 -8.084 -5.319 1.00 0.36 H new ATOM 0 HA GLN A 19 4.874 -8.855 -6.475 1.00 0.42 H new ATOM 0 HB2 GLN A 19 1.966 -9.478 -7.120 1.00 0.56 H new ATOM 0 HB3 GLN A 19 3.294 -9.978 -8.148 1.00 0.56 H new ATOM 0 HG2 GLN A 19 4.279 -11.290 -6.296 1.00 1.47 H new ATOM 0 HG3 GLN A 19 3.030 -10.729 -5.202 1.00 1.47 H new ATOM 0 HE21 GLN A 19 2.803 -13.213 -4.968 1.00 3.09 H new ATOM 0 HE22 GLN A 19 1.659 -13.986 -6.070 1.00 3.09 H new ATOM 163 N MET A 20 5.024 -6.685 -7.779 1.00 0.37 N ATOM 164 CA MET A 20 5.413 -5.855 -8.928 1.00 0.42 C ATOM 165 C MET A 20 6.935 -5.848 -9.133 1.00 0.54 C ATOM 166 O MET A 20 7.696 -6.060 -8.188 1.00 0.67 O ATOM 167 CB MET A 20 4.868 -4.426 -8.793 1.00 0.39 C ATOM 168 CG MET A 20 5.126 -3.786 -7.427 1.00 0.36 C ATOM 169 SD MET A 20 4.886 -1.991 -7.419 1.00 0.58 S ATOM 170 CE MET A 20 4.974 -1.710 -5.639 1.00 0.38 C ATOM 0 H MET A 20 5.699 -6.650 -7.015 1.00 0.37 H new ATOM 0 HA MET A 20 4.965 -6.302 -9.816 1.00 0.42 H new ATOM 0 HB2 MET A 20 5.318 -3.802 -9.565 1.00 0.39 H new ATOM 0 HB3 MET A 20 3.794 -4.439 -8.979 1.00 0.39 H new ATOM 0 HG2 MET A 20 4.461 -4.238 -6.691 1.00 0.36 H new ATOM 0 HG3 MET A 20 6.146 -4.010 -7.115 1.00 0.36 H new ATOM 0 HE1 MET A 20 5.548 -0.805 -5.441 1.00 0.38 H new ATOM 0 HE2 MET A 20 3.967 -1.595 -5.239 1.00 0.38 H new ATOM 0 HE3 MET A 20 5.460 -2.560 -5.160 1.00 0.38 H new ATOM 180 N THR A 21 7.359 -5.605 -10.374 1.00 0.62 N ATOM 181 CA THR A 21 8.724 -5.840 -10.879 1.00 0.89 C ATOM 182 C THR A 21 9.271 -4.682 -11.731 1.00 0.67 C ATOM 183 O THR A 21 10.491 -4.571 -11.872 1.00 0.75 O ATOM 184 CB THR A 21 8.747 -7.130 -11.729 1.00 1.42 C ATOM 185 OG1 THR A 21 7.942 -8.150 -11.170 1.00 3.12 O ATOM 186 CG2 THR A 21 10.144 -7.732 -11.876 1.00 1.62 C ATOM 0 H THR A 21 6.740 -5.223 -11.089 1.00 0.62 H new ATOM 0 HA THR A 21 9.364 -5.929 -10.001 1.00 0.89 H new ATOM 0 HB THR A 21 8.369 -6.810 -12.700 1.00 1.42 H new ATOM 0 HG1 THR A 21 7.983 -8.947 -11.738 1.00 3.12 H new ATOM 0 HG21 THR A 21 10.089 -8.635 -12.484 1.00 1.62 H new ATOM 0 HG22 THR A 21 10.803 -7.010 -12.358 1.00 1.62 H new ATOM 0 HG23 THR A 21 10.538 -7.981 -10.891 1.00 1.62 H new ATOM 194 N CYS A 22 8.404 -3.815 -12.282 1.00 0.55 N ATOM 195 CA CYS A 22 8.782 -2.670 -13.107 1.00 0.55 C ATOM 196 C CYS A 22 8.174 -1.332 -12.619 1.00 0.58 C ATOM 197 O CYS A 22 7.176 -1.292 -11.891 1.00 0.59 O ATOM 198 CB CYS A 22 8.497 -3.015 -14.582 1.00 0.74 C ATOM 199 SG CYS A 22 6.932 -2.411 -15.301 1.00 1.04 S ATOM 0 H CYS A 22 7.395 -3.900 -12.158 1.00 0.55 H new ATOM 0 HA CYS A 22 9.852 -2.486 -13.008 1.00 0.55 H new ATOM 0 HB2 CYS A 22 9.317 -2.623 -15.184 1.00 0.74 H new ATOM 0 HB3 CYS A 22 8.517 -4.100 -14.684 1.00 0.74 H new ATOM 204 N GLN A 23 8.797 -0.232 -13.052 1.00 0.66 N ATOM 205 CA GLN A 23 8.545 1.137 -12.573 1.00 0.74 C ATOM 206 C GLN A 23 7.120 1.668 -12.860 1.00 0.69 C ATOM 207 O GLN A 23 6.667 2.606 -12.199 1.00 0.71 O ATOM 208 CB GLN A 23 9.624 2.066 -13.163 1.00 0.89 C ATOM 209 CG GLN A 23 10.315 2.923 -12.093 1.00 1.50 C ATOM 210 CD GLN A 23 11.248 2.118 -11.182 1.00 1.52 C ATOM 211 OE1 GLN A 23 12.237 1.534 -11.614 1.00 3.14 O ATOM 212 NE2 GLN A 23 10.989 2.055 -9.895 1.00 1.57 N ATOM 0 H GLN A 23 9.518 -0.268 -13.773 1.00 0.66 H new ATOM 0 HA GLN A 23 8.605 1.118 -11.485 1.00 0.74 H new ATOM 0 HB2 GLN A 23 10.372 1.465 -13.681 1.00 0.89 H new ATOM 0 HB3 GLN A 23 9.168 2.719 -13.908 1.00 0.89 H new ATOM 0 HG2 GLN A 23 10.887 3.711 -12.582 1.00 1.50 H new ATOM 0 HG3 GLN A 23 9.556 3.412 -11.483 1.00 1.50 H new ATOM 0 HE21 GLN A 23 10.172 2.533 -9.515 1.00 1.57 H new ATOM 0 HE22 GLN A 23 11.605 1.528 -9.276 1.00 1.57 H new ATOM 221 N SER A 24 6.392 1.048 -13.795 1.00 0.69 N ATOM 222 CA SER A 24 5.008 1.401 -14.165 1.00 0.68 C ATOM 223 C SER A 24 3.944 0.860 -13.211 1.00 0.55 C ATOM 224 O SER A 24 2.870 1.456 -13.107 1.00 0.59 O ATOM 225 CB SER A 24 4.695 0.892 -15.581 1.00 0.81 C ATOM 226 OG SER A 24 5.632 1.391 -16.522 1.00 1.19 O ATOM 0 H SER A 24 6.756 0.262 -14.334 1.00 0.69 H new ATOM 0 HA SER A 24 4.963 2.489 -14.111 1.00 0.68 H new ATOM 0 HB2 SER A 24 4.711 -0.198 -15.591 1.00 0.81 H new ATOM 0 HB3 SER A 24 3.689 1.199 -15.867 1.00 0.81 H new ATOM 0 HG SER A 24 5.412 1.051 -17.414 1.00 1.19 H new ATOM 232 N CYS A 25 4.217 -0.228 -12.488 1.00 0.48 N ATOM 233 CA CYS A 25 3.273 -0.766 -11.521 1.00 0.40 C ATOM 234 C CYS A 25 3.274 0.104 -10.240 1.00 0.36 C ATOM 235 O CYS A 25 2.217 0.466 -9.737 1.00 0.42 O ATOM 236 CB CYS A 25 3.627 -2.248 -11.328 1.00 0.53 C ATOM 237 SG CYS A 25 3.310 -3.276 -12.798 1.00 0.81 S ATOM 0 H CYS A 25 5.089 -0.752 -12.558 1.00 0.48 H new ATOM 0 HA CYS A 25 2.238 -0.727 -11.860 1.00 0.40 H new ATOM 0 HB2 CYS A 25 4.680 -2.329 -11.060 1.00 0.53 H new ATOM 0 HB3 CYS A 25 3.054 -2.643 -10.489 1.00 0.53 H new ATOM 242 N VAL A 26 4.460 0.520 -9.789 1.00 0.42 N ATOM 243 CA VAL A 26 4.747 1.473 -8.689 1.00 0.42 C ATOM 244 C VAL A 26 3.911 2.744 -8.824 1.00 0.34 C ATOM 245 O VAL A 26 3.157 3.086 -7.917 1.00 0.41 O ATOM 246 CB VAL A 26 6.243 1.875 -8.715 1.00 0.52 C ATOM 247 CG1 VAL A 26 6.820 2.138 -7.334 1.00 0.62 C ATOM 248 CG2 VAL A 26 7.130 0.796 -9.293 1.00 0.74 C ATOM 0 H VAL A 26 5.322 0.177 -10.212 1.00 0.42 H new ATOM 0 HA VAL A 26 4.498 0.976 -7.752 1.00 0.42 H new ATOM 0 HB VAL A 26 6.242 2.777 -9.327 1.00 0.52 H new ATOM 0 HG11 VAL A 26 7.870 2.415 -7.425 1.00 0.62 H new ATOM 0 HG12 VAL A 26 6.271 2.951 -6.859 1.00 0.62 H new ATOM 0 HG13 VAL A 26 6.733 1.238 -6.726 1.00 0.62 H new ATOM 0 HG21 VAL A 26 8.166 1.134 -9.286 1.00 0.74 H new ATOM 0 HG22 VAL A 26 7.039 -0.110 -8.693 1.00 0.74 H new ATOM 0 HG23 VAL A 26 6.825 0.584 -10.318 1.00 0.74 H new ATOM 258 N ASP A 27 3.985 3.382 -9.997 1.00 0.34 N ATOM 259 CA ASP A 27 3.195 4.549 -10.406 1.00 0.48 C ATOM 260 C ASP A 27 1.689 4.302 -10.244 1.00 0.47 C ATOM 261 O ASP A 27 0.942 5.170 -9.793 1.00 0.65 O ATOM 262 CB ASP A 27 3.502 4.777 -11.893 1.00 0.70 C ATOM 263 CG ASP A 27 3.082 6.133 -12.459 1.00 1.34 C ATOM 264 OD1 ASP A 27 3.410 7.179 -11.852 1.00 1.81 O ATOM 265 OD2 ASP A 27 2.544 6.178 -13.592 1.00 2.72 O ATOM 0 H ASP A 27 4.632 3.082 -10.726 1.00 0.34 H new ATOM 0 HA ASP A 27 3.453 5.407 -9.785 1.00 0.48 H new ATOM 0 HB2 ASP A 27 4.575 4.657 -12.046 1.00 0.70 H new ATOM 0 HB3 ASP A 27 3.009 3.995 -12.470 1.00 0.70 H new ATOM 270 N ALA A 28 1.247 3.085 -10.566 1.00 0.37 N ATOM 271 CA ALA A 28 -0.169 2.738 -10.538 1.00 0.48 C ATOM 272 C ALA A 28 -0.671 2.424 -9.129 1.00 0.50 C ATOM 273 O ALA A 28 -1.753 2.897 -8.764 1.00 0.61 O ATOM 274 CB ALA A 28 -0.448 1.577 -11.481 1.00 0.53 C ATOM 0 H ALA A 28 1.858 2.320 -10.851 1.00 0.37 H new ATOM 0 HA ALA A 28 -0.720 3.615 -10.878 1.00 0.48 H new ATOM 0 HB1 ALA A 28 -1.509 1.329 -11.449 1.00 0.53 H new ATOM 0 HB2 ALA A 28 -0.171 1.859 -12.497 1.00 0.53 H new ATOM 0 HB3 ALA A 28 0.136 0.710 -11.173 1.00 0.53 H new ATOM 280 N VAL A 29 0.095 1.690 -8.305 1.00 0.43 N ATOM 281 CA VAL A 29 -0.289 1.467 -6.919 1.00 0.57 C ATOM 282 C VAL A 29 -0.311 2.802 -6.172 1.00 0.67 C ATOM 283 O VAL A 29 -1.298 3.098 -5.502 1.00 0.88 O ATOM 284 CB VAL A 29 0.616 0.441 -6.209 1.00 0.72 C ATOM 285 CG1 VAL A 29 -0.180 -0.155 -5.048 1.00 0.81 C ATOM 286 CG2 VAL A 29 1.057 -0.770 -7.043 1.00 0.78 C ATOM 0 H VAL A 29 0.973 1.249 -8.579 1.00 0.43 H new ATOM 0 HA VAL A 29 -1.290 1.036 -6.915 1.00 0.57 H new ATOM 0 HB VAL A 29 1.512 1.001 -5.942 1.00 0.72 H new ATOM 0 HG11 VAL A 29 0.434 -0.887 -4.524 1.00 0.81 H new ATOM 0 HG12 VAL A 29 -0.467 0.639 -4.358 1.00 0.81 H new ATOM 0 HG13 VAL A 29 -1.076 -0.642 -5.433 1.00 0.81 H new ATOM 0 HG21 VAL A 29 1.689 -1.419 -6.436 1.00 0.78 H new ATOM 0 HG22 VAL A 29 0.178 -1.324 -7.373 1.00 0.78 H new ATOM 0 HG23 VAL A 29 1.618 -0.428 -7.913 1.00 0.78 H new ATOM 296 N ARG A 30 0.695 3.669 -6.383 1.00 0.55 N ATOM 297 CA ARG A 30 0.772 5.025 -5.812 1.00 0.62 C ATOM 298 C ARG A 30 -0.482 5.846 -6.132 1.00 0.75 C ATOM 299 O ARG A 30 -0.978 6.559 -5.268 1.00 0.90 O ATOM 300 CB ARG A 30 2.019 5.733 -6.402 1.00 0.54 C ATOM 301 CG ARG A 30 3.307 5.332 -5.663 1.00 0.43 C ATOM 302 CD ARG A 30 4.596 5.849 -6.334 1.00 0.49 C ATOM 303 NE ARG A 30 5.607 6.250 -5.328 1.00 1.01 N ATOM 304 CZ ARG A 30 5.585 7.339 -4.570 1.00 1.93 C ATOM 305 NH1 ARG A 30 4.707 8.290 -4.699 1.00 2.94 N ATOM 306 NH2 ARG A 30 6.447 7.526 -3.619 1.00 2.50 N ATOM 0 H ARG A 30 1.497 3.440 -6.970 1.00 0.55 H new ATOM 0 HA ARG A 30 0.846 4.945 -4.727 1.00 0.62 H new ATOM 0 HB2 ARG A 30 2.113 5.482 -7.459 1.00 0.54 H new ATOM 0 HB3 ARG A 30 1.886 6.813 -6.341 1.00 0.54 H new ATOM 0 HG2 ARG A 30 3.262 5.712 -4.642 1.00 0.43 H new ATOM 0 HG3 ARG A 30 3.354 4.245 -5.597 1.00 0.43 H new ATOM 0 HD2 ARG A 30 5.009 5.072 -6.978 1.00 0.49 H new ATOM 0 HD3 ARG A 30 4.359 6.700 -6.973 1.00 0.49 H new ATOM 0 HE ARG A 30 6.403 5.624 -5.205 1.00 1.01 H new ATOM 0 HH11 ARG A 30 3.983 8.222 -5.414 1.00 2.94 H new ATOM 0 HH12 ARG A 30 4.742 9.104 -4.085 1.00 2.94 H new ATOM 0 HH21 ARG A 30 7.166 6.826 -3.438 1.00 2.50 H new ATOM 0 HH22 ARG A 30 6.406 8.373 -3.052 1.00 2.50 H new ATOM 320 N LYS A 31 -1.029 5.720 -7.344 1.00 0.71 N ATOM 321 CA LYS A 31 -2.217 6.468 -7.800 1.00 0.75 C ATOM 322 C LYS A 31 -3.568 5.820 -7.479 1.00 0.80 C ATOM 323 O LYS A 31 -4.570 6.526 -7.366 1.00 0.82 O ATOM 324 CB LYS A 31 -1.997 6.925 -9.248 1.00 0.86 C ATOM 325 CG LYS A 31 -0.826 7.920 -9.184 1.00 0.81 C ATOM 326 CD LYS A 31 -0.543 8.707 -10.457 1.00 1.02 C ATOM 327 CE LYS A 31 0.404 9.821 -10.006 1.00 1.04 C ATOM 328 NZ LYS A 31 0.762 10.716 -11.122 1.00 1.42 N ATOM 0 H LYS A 31 -0.657 5.087 -8.052 1.00 0.71 H new ATOM 0 HA LYS A 31 -2.312 7.369 -7.194 1.00 0.75 H new ATOM 0 HB2 LYS A 31 -1.761 6.081 -9.896 1.00 0.86 H new ATOM 0 HB3 LYS A 31 -2.893 7.397 -9.652 1.00 0.86 H new ATOM 0 HG2 LYS A 31 -1.022 8.629 -8.379 1.00 0.81 H new ATOM 0 HG3 LYS A 31 0.076 7.371 -8.913 1.00 0.81 H new ATOM 0 HD2 LYS A 31 -0.084 8.079 -11.220 1.00 1.02 H new ATOM 0 HD3 LYS A 31 -1.459 9.112 -10.887 1.00 1.02 H new ATOM 0 HE2 LYS A 31 -0.067 10.400 -9.212 1.00 1.04 H new ATOM 0 HE3 LYS A 31 1.309 9.382 -9.587 1.00 1.04 H new ATOM 0 HZ1 LYS A 31 1.405 11.458 -10.779 1.00 1.42 H new ATOM 0 HZ2 LYS A 31 1.234 10.168 -11.869 1.00 1.42 H new ATOM 0 HZ3 LYS A 31 -0.100 11.154 -11.506 1.00 1.42 H new ATOM 342 N SER A 32 -3.591 4.515 -7.199 1.00 0.81 N ATOM 343 CA SER A 32 -4.702 3.876 -6.473 1.00 0.83 C ATOM 344 C SER A 32 -4.753 4.325 -4.999 1.00 0.75 C ATOM 345 O SER A 32 -5.836 4.477 -4.434 1.00 0.88 O ATOM 346 CB SER A 32 -4.576 2.354 -6.549 1.00 0.90 C ATOM 347 OG SER A 32 -5.780 1.747 -6.124 1.00 1.19 O ATOM 0 H SER A 32 -2.847 3.871 -7.465 1.00 0.81 H new ATOM 0 HA SER A 32 -5.631 4.188 -6.951 1.00 0.83 H new ATOM 0 HB2 SER A 32 -4.347 2.050 -7.571 1.00 0.90 H new ATOM 0 HB3 SER A 32 -3.749 2.018 -5.924 1.00 0.90 H new ATOM 0 HG SER A 32 -5.583 0.875 -5.723 1.00 1.19 H new ATOM 353 N LEU A 33 -3.587 4.580 -4.388 1.00 0.63 N ATOM 354 CA LEU A 33 -3.439 5.067 -3.008 1.00 0.62 C ATOM 355 C LEU A 33 -3.729 6.575 -2.859 1.00 0.53 C ATOM 356 O LEU A 33 -4.316 7.004 -1.865 1.00 0.53 O ATOM 357 CB LEU A 33 -1.998 4.770 -2.549 1.00 0.72 C ATOM 358 CG LEU A 33 -1.648 3.278 -2.374 1.00 0.46 C ATOM 359 CD1 LEU A 33 -0.147 2.987 -2.494 1.00 0.74 C ATOM 360 CD2 LEU A 33 -2.040 2.818 -0.983 1.00 0.68 C ATOM 0 H LEU A 33 -2.691 4.449 -4.856 1.00 0.63 H new ATOM 0 HA LEU A 33 -4.174 4.551 -2.390 1.00 0.62 H new ATOM 0 HB2 LEU A 33 -1.308 5.204 -3.273 1.00 0.72 H new ATOM 0 HB3 LEU A 33 -1.826 5.279 -1.601 1.00 0.72 H new ATOM 0 HG LEU A 33 -2.187 2.760 -3.167 1.00 0.46 H new ATOM 0 HD11 LEU A 33 0.028 1.920 -2.361 1.00 0.74 H new ATOM 0 HD12 LEU A 33 0.205 3.292 -3.479 1.00 0.74 H new ATOM 0 HD13 LEU A 33 0.394 3.542 -1.727 1.00 0.74 H new ATOM 0 HD21 LEU A 33 -1.791 1.764 -0.865 1.00 0.68 H new ATOM 0 HD22 LEU A 33 -1.499 3.404 -0.240 1.00 0.68 H new ATOM 0 HD23 LEU A 33 -3.112 2.955 -0.843 1.00 0.68 H new ATOM 372 N GLN A 34 -3.329 7.383 -3.843 1.00 0.53 N ATOM 373 CA GLN A 34 -3.518 8.834 -3.848 1.00 0.56 C ATOM 374 C GLN A 34 -5.004 9.198 -3.927 1.00 0.53 C ATOM 375 O GLN A 34 -5.749 8.722 -4.790 1.00 0.56 O ATOM 376 CB GLN A 34 -2.690 9.458 -4.985 1.00 0.75 C ATOM 377 CG GLN A 34 -1.258 9.762 -4.514 1.00 0.80 C ATOM 378 CD GLN A 34 -0.264 10.002 -5.645 1.00 0.86 C ATOM 379 OE1 GLN A 34 -0.593 10.461 -6.730 1.00 1.41 O ATOM 380 NE2 GLN A 34 0.998 9.728 -5.407 1.00 1.02 N ATOM 0 H GLN A 34 -2.854 7.038 -4.677 1.00 0.53 H new ATOM 0 HA GLN A 34 -3.156 9.250 -2.908 1.00 0.56 H new ATOM 0 HB2 GLN A 34 -2.661 8.777 -5.836 1.00 0.75 H new ATOM 0 HB3 GLN A 34 -3.168 10.376 -5.327 1.00 0.75 H new ATOM 0 HG2 GLN A 34 -1.278 10.642 -3.871 1.00 0.80 H new ATOM 0 HG3 GLN A 34 -0.904 8.930 -3.905 1.00 0.80 H new ATOM 0 HE21 GLN A 34 1.275 9.345 -4.503 1.00 1.02 H new ATOM 0 HE22 GLN A 34 1.701 9.898 -6.126 1.00 1.02 H new ATOM 389 N GLY A 35 -5.426 10.067 -3.014 1.00 0.59 N ATOM 390 CA GLY A 35 -6.815 10.511 -2.856 1.00 0.67 C ATOM 391 C GLY A 35 -7.740 9.560 -2.076 1.00 0.61 C ATOM 392 O GLY A 35 -8.960 9.713 -2.169 1.00 0.80 O ATOM 0 H GLY A 35 -4.794 10.498 -2.340 1.00 0.59 H new ATOM 0 HA2 GLY A 35 -6.812 11.478 -2.353 1.00 0.67 H new ATOM 0 HA3 GLY A 35 -7.241 10.669 -3.847 1.00 0.67 H new ATOM 396 N VAL A 36 -7.227 8.592 -1.306 1.00 0.48 N ATOM 397 CA VAL A 36 -8.024 7.734 -0.417 1.00 0.53 C ATOM 398 C VAL A 36 -8.364 8.493 0.867 1.00 0.49 C ATOM 399 O VAL A 36 -7.502 9.073 1.534 1.00 0.47 O ATOM 400 CB VAL A 36 -7.293 6.404 -0.134 1.00 0.64 C ATOM 401 CG1 VAL A 36 -7.941 5.583 0.990 1.00 0.84 C ATOM 402 CG2 VAL A 36 -7.284 5.532 -1.397 1.00 0.81 C ATOM 0 H VAL A 36 -6.230 8.379 -1.282 1.00 0.48 H new ATOM 0 HA VAL A 36 -8.961 7.476 -0.911 1.00 0.53 H new ATOM 0 HB VAL A 36 -6.285 6.678 0.177 1.00 0.64 H new ATOM 0 HG11 VAL A 36 -7.379 4.661 1.138 1.00 0.84 H new ATOM 0 HG12 VAL A 36 -7.937 6.163 1.913 1.00 0.84 H new ATOM 0 HG13 VAL A 36 -8.969 5.341 0.718 1.00 0.84 H new ATOM 0 HG21 VAL A 36 -6.766 4.596 -1.189 1.00 0.81 H new ATOM 0 HG22 VAL A 36 -8.309 5.320 -1.700 1.00 0.81 H new ATOM 0 HG23 VAL A 36 -6.770 6.060 -2.200 1.00 0.81 H new ATOM 412 N ALA A 37 -9.639 8.487 1.228 1.00 0.63 N ATOM 413 CA ALA A 37 -10.141 9.088 2.464 1.00 0.71 C ATOM 414 C ALA A 37 -9.604 8.325 3.693 1.00 0.67 C ATOM 415 O ALA A 37 -9.941 7.161 3.904 1.00 0.76 O ATOM 416 CB ALA A 37 -11.674 9.122 2.422 1.00 0.92 C ATOM 0 H ALA A 37 -10.371 8.057 0.662 1.00 0.63 H new ATOM 0 HA ALA A 37 -9.783 10.114 2.552 1.00 0.71 H new ATOM 0 HB1 ALA A 37 -12.053 9.569 3.341 1.00 0.92 H new ATOM 0 HB2 ALA A 37 -12.002 9.715 1.568 1.00 0.92 H new ATOM 0 HB3 ALA A 37 -12.058 8.106 2.327 1.00 0.92 H new ATOM 422 N GLY A 38 -8.763 8.979 4.501 1.00 0.62 N ATOM 423 CA GLY A 38 -8.079 8.371 5.651 1.00 0.59 C ATOM 424 C GLY A 38 -6.618 7.985 5.382 1.00 0.44 C ATOM 425 O GLY A 38 -5.984 7.357 6.230 1.00 0.37 O ATOM 0 H GLY A 38 -8.533 9.964 4.373 1.00 0.62 H new ATOM 0 HA2 GLY A 38 -8.111 9.068 6.488 1.00 0.59 H new ATOM 0 HA3 GLY A 38 -8.628 7.480 5.957 1.00 0.59 H new ATOM 429 N VAL A 39 -6.056 8.347 4.220 1.00 0.44 N ATOM 430 CA VAL A 39 -4.604 8.312 3.966 1.00 0.42 C ATOM 431 C VAL A 39 -3.986 9.679 4.287 1.00 0.49 C ATOM 432 O VAL A 39 -4.597 10.714 3.996 1.00 0.70 O ATOM 433 CB VAL A 39 -4.299 7.851 2.519 1.00 0.50 C ATOM 434 CG1 VAL A 39 -4.224 8.963 1.463 1.00 1.51 C ATOM 435 CG2 VAL A 39 -2.997 7.045 2.466 1.00 1.54 C ATOM 0 H VAL A 39 -6.599 8.676 3.421 1.00 0.44 H new ATOM 0 HA VAL A 39 -4.145 7.576 4.625 1.00 0.42 H new ATOM 0 HB VAL A 39 -5.163 7.240 2.258 1.00 0.50 H new ATOM 0 HG11 VAL A 39 -4.006 8.526 0.489 1.00 1.51 H new ATOM 0 HG12 VAL A 39 -5.178 9.488 1.419 1.00 1.51 H new ATOM 0 HG13 VAL A 39 -3.435 9.666 1.730 1.00 1.51 H new ATOM 0 HG21 VAL A 39 -2.804 6.732 1.440 1.00 1.54 H new ATOM 0 HG22 VAL A 39 -2.172 7.664 2.818 1.00 1.54 H new ATOM 0 HG23 VAL A 39 -3.088 6.165 3.102 1.00 1.54 H new ATOM 445 N GLN A 40 -2.789 9.690 4.878 1.00 0.41 N ATOM 446 CA GLN A 40 -1.942 10.880 5.027 1.00 0.45 C ATOM 447 C GLN A 40 -0.730 10.863 4.091 1.00 0.45 C ATOM 448 O GLN A 40 -0.346 11.912 3.571 1.00 0.65 O ATOM 449 CB GLN A 40 -1.466 10.999 6.480 1.00 0.51 C ATOM 450 CG GLN A 40 -2.510 11.723 7.338 1.00 0.72 C ATOM 451 CD GLN A 40 -1.992 12.107 8.722 1.00 1.85 C ATOM 452 OE1 GLN A 40 -0.799 12.115 9.006 1.00 3.19 O ATOM 453 NE2 GLN A 40 -2.870 12.439 9.636 1.00 2.00 N ATOM 0 H GLN A 40 -2.369 8.850 5.277 1.00 0.41 H new ATOM 0 HA GLN A 40 -2.550 11.742 4.755 1.00 0.45 H new ATOM 0 HB2 GLN A 40 -1.279 10.006 6.888 1.00 0.51 H new ATOM 0 HB3 GLN A 40 -0.521 11.541 6.514 1.00 0.51 H new ATOM 0 HG2 GLN A 40 -2.837 12.623 6.817 1.00 0.72 H new ATOM 0 HG3 GLN A 40 -3.385 11.083 7.450 1.00 0.72 H new ATOM 0 HE21 GLN A 40 -3.865 12.436 9.412 1.00 2.00 H new ATOM 0 HE22 GLN A 40 -2.558 12.700 10.571 1.00 2.00 H new ATOM 462 N ASP A 41 -0.121 9.699 3.876 1.00 0.36 N ATOM 463 CA ASP A 41 1.026 9.521 2.981 1.00 0.43 C ATOM 464 C ASP A 41 1.222 8.049 2.621 1.00 0.34 C ATOM 465 O ASP A 41 0.644 7.137 3.213 1.00 0.27 O ATOM 466 CB ASP A 41 2.327 10.036 3.630 1.00 0.59 C ATOM 467 CG ASP A 41 2.894 11.281 2.946 1.00 1.52 C ATOM 468 OD1 ASP A 41 3.452 11.154 1.830 1.00 2.93 O ATOM 469 OD2 ASP A 41 2.878 12.376 3.562 1.00 1.71 O ATOM 0 H ASP A 41 -0.416 8.833 4.328 1.00 0.36 H new ATOM 0 HA ASP A 41 0.812 10.096 2.080 1.00 0.43 H new ATOM 0 HB2 ASP A 41 2.137 10.262 4.679 1.00 0.59 H new ATOM 0 HB3 ASP A 41 3.075 9.244 3.605 1.00 0.59 H new ATOM 474 N VAL A 42 2.126 7.841 1.675 1.00 0.35 N ATOM 475 CA VAL A 42 2.621 6.546 1.218 1.00 0.34 C ATOM 476 C VAL A 42 4.104 6.638 0.886 1.00 0.33 C ATOM 477 O VAL A 42 4.592 7.701 0.496 1.00 0.41 O ATOM 478 CB VAL A 42 1.844 6.040 -0.007 1.00 0.49 C ATOM 479 CG1 VAL A 42 0.401 5.711 0.371 1.00 0.85 C ATOM 480 CG2 VAL A 42 1.824 6.997 -1.207 1.00 0.61 C ATOM 0 H VAL A 42 2.561 8.616 1.175 1.00 0.35 H new ATOM 0 HA VAL A 42 2.472 5.833 2.028 1.00 0.34 H new ATOM 0 HB VAL A 42 2.389 5.151 -0.324 1.00 0.49 H new ATOM 0 HG11 VAL A 42 -0.133 5.354 -0.509 1.00 0.85 H new ATOM 0 HG12 VAL A 42 0.393 4.937 1.138 1.00 0.85 H new ATOM 0 HG13 VAL A 42 -0.088 6.607 0.754 1.00 0.85 H new ATOM 0 HG21 VAL A 42 1.252 6.550 -2.020 1.00 0.61 H new ATOM 0 HG22 VAL A 42 1.362 7.939 -0.913 1.00 0.61 H new ATOM 0 HG23 VAL A 42 2.845 7.183 -1.541 1.00 0.61 H new ATOM 490 N GLU A 43 4.811 5.520 1.007 1.00 0.36 N ATOM 491 CA GLU A 43 6.217 5.392 0.620 1.00 0.54 C ATOM 492 C GLU A 43 6.388 4.029 -0.073 1.00 0.53 C ATOM 493 O GLU A 43 6.131 2.977 0.512 1.00 0.64 O ATOM 494 CB GLU A 43 7.092 5.612 1.870 1.00 0.67 C ATOM 495 CG GLU A 43 8.588 5.665 1.558 1.00 0.94 C ATOM 496 CD GLU A 43 9.448 5.978 2.793 1.00 2.15 C ATOM 497 OE1 GLU A 43 9.066 5.667 3.949 1.00 3.44 O ATOM 498 OE2 GLU A 43 10.554 6.548 2.627 1.00 2.71 O ATOM 0 H GLU A 43 4.418 4.658 1.384 1.00 0.36 H new ATOM 0 HA GLU A 43 6.541 6.146 -0.098 1.00 0.54 H new ATOM 0 HB2 GLU A 43 6.795 6.543 2.354 1.00 0.67 H new ATOM 0 HB3 GLU A 43 6.905 4.809 2.582 1.00 0.67 H new ATOM 0 HG2 GLU A 43 8.900 4.709 1.138 1.00 0.94 H new ATOM 0 HG3 GLU A 43 8.768 6.423 0.795 1.00 0.94 H new ATOM 505 N VAL A 44 6.723 4.043 -1.366 1.00 0.42 N ATOM 506 CA VAL A 44 6.621 2.872 -2.256 1.00 0.35 C ATOM 507 C VAL A 44 8.006 2.451 -2.719 1.00 0.44 C ATOM 508 O VAL A 44 8.767 3.234 -3.292 1.00 0.58 O ATOM 509 CB VAL A 44 5.622 3.095 -3.402 1.00 0.70 C ATOM 510 CG1 VAL A 44 5.461 1.817 -4.227 1.00 1.44 C ATOM 511 CG2 VAL A 44 4.246 3.434 -2.826 1.00 2.32 C ATOM 0 H VAL A 44 7.078 4.876 -1.835 1.00 0.42 H new ATOM 0 HA VAL A 44 6.205 2.037 -1.693 1.00 0.35 H new ATOM 0 HB VAL A 44 6.001 3.906 -4.025 1.00 0.70 H new ATOM 0 HG11 VAL A 44 4.750 1.992 -5.034 1.00 1.44 H new ATOM 0 HG12 VAL A 44 6.425 1.532 -4.648 1.00 1.44 H new ATOM 0 HG13 VAL A 44 5.093 1.015 -3.587 1.00 1.44 H new ATOM 0 HG21 VAL A 44 3.539 3.592 -3.641 1.00 2.32 H new ATOM 0 HG22 VAL A 44 3.901 2.611 -2.200 1.00 2.32 H new ATOM 0 HG23 VAL A 44 4.316 4.341 -2.226 1.00 2.32 H new ATOM 521 N HIS A 45 8.319 1.200 -2.404 1.00 0.48 N ATOM 522 CA HIS A 45 9.641 0.597 -2.474 1.00 0.44 C ATOM 523 C HIS A 45 9.638 -0.619 -3.393 1.00 0.39 C ATOM 524 O HIS A 45 9.609 -1.752 -2.919 1.00 0.36 O ATOM 525 CB HIS A 45 10.079 0.226 -1.048 1.00 0.57 C ATOM 526 CG HIS A 45 10.733 1.340 -0.285 1.00 0.51 C ATOM 527 ND1 HIS A 45 12.087 1.548 -0.167 1.00 0.71 N ATOM 528 CD2 HIS A 45 10.106 2.288 0.473 1.00 0.52 C ATOM 529 CE1 HIS A 45 12.281 2.608 0.631 1.00 0.83 C ATOM 530 NE2 HIS A 45 11.098 3.090 1.051 1.00 0.73 N ATOM 0 H HIS A 45 7.614 0.542 -2.073 1.00 0.48 H new ATOM 0 HA HIS A 45 10.352 1.307 -2.898 1.00 0.44 H new ATOM 0 HB2 HIS A 45 9.206 -0.114 -0.491 1.00 0.57 H new ATOM 0 HB3 HIS A 45 10.771 -0.615 -1.102 1.00 0.57 H new ATOM 0 HD2 HIS A 45 9.040 2.399 0.603 1.00 0.52 H new ATOM 0 HE1 HIS A 45 13.245 3.015 0.897 1.00 0.83 H new ATOM 0 HE2 HIS A 45 10.951 3.886 1.671 1.00 0.73 H new ATOM 538 N LEU A 46 9.762 -0.425 -4.703 1.00 0.43 N ATOM 539 CA LEU A 46 10.118 -1.525 -5.606 1.00 0.41 C ATOM 540 C LEU A 46 11.421 -2.219 -5.167 1.00 0.41 C ATOM 541 O LEU A 46 11.573 -3.440 -5.219 1.00 0.67 O ATOM 542 CB LEU A 46 10.200 -0.949 -7.015 1.00 0.63 C ATOM 543 CG LEU A 46 10.378 -1.983 -8.150 1.00 0.98 C ATOM 544 CD1 LEU A 46 9.836 -3.386 -7.885 1.00 2.25 C ATOM 545 CD2 LEU A 46 9.484 -1.529 -9.280 1.00 1.12 C ATOM 0 H LEU A 46 9.623 0.474 -5.164 1.00 0.43 H new ATOM 0 HA LEU A 46 9.359 -2.307 -5.579 1.00 0.41 H new ATOM 0 HB2 LEU A 46 9.292 -0.377 -7.208 1.00 0.63 H new ATOM 0 HB3 LEU A 46 11.033 -0.247 -7.053 1.00 0.63 H new ATOM 0 HG LEU A 46 11.455 -2.035 -8.312 1.00 0.98 H new ATOM 0 HD11 LEU A 46 10.021 -4.018 -8.754 1.00 2.25 H new ATOM 0 HD12 LEU A 46 10.336 -3.811 -7.015 1.00 2.25 H new ATOM 0 HD13 LEU A 46 8.764 -3.332 -7.697 1.00 2.25 H new ATOM 0 HD21 LEU A 46 9.569 -2.226 -10.114 1.00 1.12 H new ATOM 0 HD22 LEU A 46 8.450 -1.499 -8.936 1.00 1.12 H new ATOM 0 HD23 LEU A 46 9.787 -0.534 -9.606 1.00 1.12 H new ATOM 557 N GLU A 47 12.322 -1.440 -4.591 1.00 0.49 N ATOM 558 CA GLU A 47 13.613 -1.893 -4.052 1.00 0.83 C ATOM 559 C GLU A 47 13.506 -2.698 -2.733 1.00 1.09 C ATOM 560 O GLU A 47 14.518 -3.126 -2.178 1.00 1.73 O ATOM 561 CB GLU A 47 14.584 -0.701 -4.032 1.00 0.96 C ATOM 562 CG GLU A 47 14.945 -0.321 -5.487 1.00 0.94 C ATOM 563 CD GLU A 47 15.127 1.176 -5.776 1.00 2.04 C ATOM 564 OE1 GLU A 47 14.724 2.064 -4.977 1.00 2.90 O ATOM 565 OE2 GLU A 47 15.576 1.485 -6.904 1.00 3.13 O ATOM 0 H GLU A 47 12.178 -0.437 -4.477 1.00 0.49 H new ATOM 0 HA GLU A 47 14.035 -2.646 -4.718 1.00 0.83 H new ATOM 0 HB2 GLU A 47 14.127 0.148 -3.523 1.00 0.96 H new ATOM 0 HB3 GLU A 47 15.485 -0.959 -3.476 1.00 0.96 H new ATOM 0 HG2 GLU A 47 15.868 -0.836 -5.756 1.00 0.94 H new ATOM 0 HG3 GLU A 47 14.164 -0.703 -6.144 1.00 0.94 H new ATOM 572 N ASP A 48 12.296 -2.912 -2.203 1.00 0.72 N ATOM 573 CA ASP A 48 11.960 -4.033 -1.297 1.00 0.62 C ATOM 574 C ASP A 48 10.760 -4.887 -1.801 1.00 0.44 C ATOM 575 O ASP A 48 10.345 -5.825 -1.116 1.00 0.46 O ATOM 576 CB ASP A 48 11.696 -3.481 0.120 1.00 0.67 C ATOM 577 CG ASP A 48 12.364 -4.271 1.250 1.00 1.22 C ATOM 578 OD1 ASP A 48 11.823 -5.309 1.692 1.00 1.94 O ATOM 579 OD2 ASP A 48 13.401 -3.808 1.789 1.00 1.97 O ATOM 0 H ASP A 48 11.501 -2.301 -2.392 1.00 0.72 H new ATOM 0 HA ASP A 48 12.814 -4.710 -1.276 1.00 0.62 H new ATOM 0 HB2 ASP A 48 12.042 -2.448 0.163 1.00 0.67 H new ATOM 0 HB3 ASP A 48 10.620 -3.464 0.294 1.00 0.67 H new ATOM 584 N GLN A 49 10.147 -4.525 -2.943 1.00 0.37 N ATOM 585 CA GLN A 49 8.750 -4.806 -3.329 1.00 0.33 C ATOM 586 C GLN A 49 7.729 -4.515 -2.204 1.00 0.29 C ATOM 587 O GLN A 49 6.755 -5.249 -2.017 1.00 0.34 O ATOM 588 CB GLN A 49 8.591 -6.213 -3.914 1.00 0.39 C ATOM 589 CG GLN A 49 9.469 -6.497 -5.150 1.00 0.39 C ATOM 590 CD GLN A 49 10.823 -7.132 -4.842 1.00 1.41 C ATOM 591 OE1 GLN A 49 10.935 -8.344 -4.693 1.00 1.65 O ATOM 592 NE2 GLN A 49 11.889 -6.366 -4.764 1.00 2.74 N ATOM 0 H GLN A 49 10.641 -3.998 -3.663 1.00 0.37 H new ATOM 0 HA GLN A 49 8.511 -4.099 -4.124 1.00 0.33 H new ATOM 0 HB2 GLN A 49 8.829 -6.943 -3.140 1.00 0.39 H new ATOM 0 HB3 GLN A 49 7.546 -6.364 -4.184 1.00 0.39 H new ATOM 0 HG2 GLN A 49 8.920 -7.154 -5.825 1.00 0.39 H new ATOM 0 HG3 GLN A 49 9.635 -5.561 -5.683 1.00 0.39 H new ATOM 0 HE21 GLN A 49 11.802 -5.357 -4.887 1.00 2.74 H new ATOM 0 HE22 GLN A 49 12.803 -6.781 -4.580 1.00 2.74 H new ATOM 601 N MET A 50 7.965 -3.445 -1.441 1.00 0.32 N ATOM 602 CA MET A 50 7.172 -3.014 -0.290 1.00 0.31 C ATOM 603 C MET A 50 6.326 -1.771 -0.604 1.00 0.30 C ATOM 604 O MET A 50 6.704 -0.917 -1.408 1.00 0.35 O ATOM 605 CB MET A 50 8.107 -2.788 0.914 1.00 0.48 C ATOM 606 CG MET A 50 7.573 -2.039 2.153 1.00 0.69 C ATOM 607 SD MET A 50 8.364 -2.521 3.712 1.00 1.20 S ATOM 608 CE MET A 50 7.642 -4.176 3.919 1.00 1.13 C ATOM 0 H MET A 50 8.755 -2.825 -1.620 1.00 0.32 H new ATOM 0 HA MET A 50 6.460 -3.801 -0.040 1.00 0.31 H new ATOM 0 HB2 MET A 50 8.455 -3.766 1.247 1.00 0.48 H new ATOM 0 HB3 MET A 50 8.980 -2.244 0.553 1.00 0.48 H new ATOM 0 HG2 MET A 50 7.712 -0.968 2.004 1.00 0.69 H new ATOM 0 HG3 MET A 50 6.500 -2.213 2.234 1.00 0.69 H new ATOM 0 HE1 MET A 50 7.737 -4.487 4.959 1.00 1.13 H new ATOM 0 HE2 MET A 50 6.588 -4.150 3.643 1.00 1.13 H new ATOM 0 HE3 MET A 50 8.167 -4.885 3.279 1.00 1.13 H new ATOM 618 N VAL A 51 5.197 -1.635 0.086 1.00 0.32 N ATOM 619 CA VAL A 51 4.312 -0.475 0.072 1.00 0.40 C ATOM 620 C VAL A 51 4.019 -0.094 1.523 1.00 0.39 C ATOM 621 O VAL A 51 3.303 -0.810 2.227 1.00 0.59 O ATOM 622 CB VAL A 51 2.998 -0.770 -0.686 1.00 0.47 C ATOM 623 CG1 VAL A 51 2.460 0.534 -1.260 1.00 0.70 C ATOM 624 CG2 VAL A 51 3.145 -1.729 -1.865 1.00 0.74 C ATOM 0 H VAL A 51 4.857 -2.372 0.704 1.00 0.32 H new ATOM 0 HA VAL A 51 4.799 0.348 -0.451 1.00 0.40 H new ATOM 0 HB VAL A 51 2.338 -1.236 0.046 1.00 0.47 H new ATOM 0 HG11 VAL A 51 1.532 0.339 -1.798 1.00 0.70 H new ATOM 0 HG12 VAL A 51 2.269 1.237 -0.449 1.00 0.70 H new ATOM 0 HG13 VAL A 51 3.193 0.960 -1.944 1.00 0.70 H new ATOM 0 HG21 VAL A 51 2.174 -1.877 -2.337 1.00 0.74 H new ATOM 0 HG22 VAL A 51 3.841 -1.309 -2.591 1.00 0.74 H new ATOM 0 HG23 VAL A 51 3.526 -2.687 -1.510 1.00 0.74 H new ATOM 634 N LEU A 52 4.585 1.021 1.985 1.00 0.35 N ATOM 635 CA LEU A 52 4.201 1.621 3.258 1.00 0.39 C ATOM 636 C LEU A 52 3.014 2.560 3.014 1.00 0.30 C ATOM 637 O LEU A 52 2.987 3.319 2.039 1.00 0.32 O ATOM 638 CB LEU A 52 5.329 2.475 3.844 1.00 0.47 C ATOM 639 CG LEU A 52 6.611 1.743 4.277 1.00 0.51 C ATOM 640 CD1 LEU A 52 6.365 0.356 4.838 1.00 2.43 C ATOM 641 CD2 LEU A 52 7.671 1.674 3.178 1.00 2.43 C ATOM 0 H LEU A 52 5.318 1.529 1.490 1.00 0.35 H new ATOM 0 HA LEU A 52 3.961 0.813 3.949 1.00 0.39 H new ATOM 0 HB2 LEU A 52 5.603 3.227 3.104 1.00 0.47 H new ATOM 0 HB3 LEU A 52 4.935 3.008 4.710 1.00 0.47 H new ATOM 0 HG LEU A 52 6.998 2.364 5.085 1.00 0.51 H new ATOM 0 HD11 LEU A 52 7.316 -0.096 5.121 1.00 2.43 H new ATOM 0 HD12 LEU A 52 5.722 0.427 5.715 1.00 2.43 H new ATOM 0 HD13 LEU A 52 5.880 -0.262 4.082 1.00 2.43 H new ATOM 0 HD21 LEU A 52 8.548 1.145 3.551 1.00 2.43 H new ATOM 0 HD22 LEU A 52 7.267 1.144 2.316 1.00 2.43 H new ATOM 0 HD23 LEU A 52 7.955 2.684 2.883 1.00 2.43 H new ATOM 653 N VAL A 53 2.053 2.537 3.925 1.00 0.22 N ATOM 654 CA VAL A 53 0.796 3.288 3.851 1.00 0.19 C ATOM 655 C VAL A 53 0.489 3.912 5.210 1.00 0.15 C ATOM 656 O VAL A 53 0.101 3.213 6.142 1.00 0.18 O ATOM 657 CB VAL A 53 -0.351 2.385 3.342 1.00 0.19 C ATOM 658 CG1 VAL A 53 -1.636 3.199 3.141 1.00 0.20 C ATOM 659 CG2 VAL A 53 -0.026 1.706 2.003 1.00 0.23 C ATOM 0 H VAL A 53 2.124 1.974 4.772 1.00 0.22 H new ATOM 0 HA VAL A 53 0.897 4.099 3.130 1.00 0.19 H new ATOM 0 HB VAL A 53 -0.483 1.620 4.108 1.00 0.19 H new ATOM 0 HG11 VAL A 53 -2.430 2.543 2.783 1.00 0.20 H new ATOM 0 HG12 VAL A 53 -1.935 3.646 4.089 1.00 0.20 H new ATOM 0 HG13 VAL A 53 -1.457 3.986 2.409 1.00 0.20 H new ATOM 0 HG21 VAL A 53 -0.868 1.085 1.696 1.00 0.23 H new ATOM 0 HG22 VAL A 53 0.159 2.467 1.245 1.00 0.23 H new ATOM 0 HG23 VAL A 53 0.861 1.083 2.117 1.00 0.23 H new ATOM 669 N HIS A 54 0.668 5.224 5.335 1.00 0.19 N ATOM 670 CA HIS A 54 0.332 6.009 6.527 1.00 0.18 C ATOM 671 C HIS A 54 -1.185 6.323 6.546 1.00 0.20 C ATOM 672 O HIS A 54 -1.643 7.218 5.827 1.00 0.24 O ATOM 673 CB HIS A 54 1.190 7.292 6.556 1.00 0.21 C ATOM 674 CG HIS A 54 2.688 7.119 6.387 1.00 0.28 C ATOM 675 ND1 HIS A 54 3.639 7.447 7.325 1.00 0.47 N ATOM 676 CD2 HIS A 54 3.371 6.695 5.274 1.00 0.28 C ATOM 677 CE1 HIS A 54 4.852 7.214 6.804 1.00 0.56 C ATOM 678 NE2 HIS A 54 4.747 6.764 5.540 1.00 0.44 N ATOM 0 H HIS A 54 1.064 5.792 4.586 1.00 0.19 H new ATOM 0 HA HIS A 54 0.555 5.436 7.427 1.00 0.18 H new ATOM 0 HB2 HIS A 54 0.834 7.956 5.768 1.00 0.21 H new ATOM 0 HB3 HIS A 54 1.012 7.798 7.505 1.00 0.21 H new ATOM 0 HD2 HIS A 54 2.924 6.364 4.348 1.00 0.28 H new ATOM 0 HE1 HIS A 54 5.785 7.366 7.327 1.00 0.56 H new ATOM 0 HE2 HIS A 54 5.509 6.523 4.907 1.00 0.44 H new ATOM 686 N THR A 55 -1.989 5.576 7.317 1.00 0.20 N ATOM 687 CA THR A 55 -3.468 5.613 7.239 1.00 0.23 C ATOM 688 C THR A 55 -4.201 5.265 8.550 1.00 0.25 C ATOM 689 O THR A 55 -3.658 4.573 9.412 1.00 0.28 O ATOM 690 CB THR A 55 -3.940 4.673 6.113 1.00 0.25 C ATOM 691 OG1 THR A 55 -5.331 4.754 5.927 1.00 0.31 O ATOM 692 CG2 THR A 55 -3.630 3.192 6.351 1.00 0.26 C ATOM 0 H THR A 55 -1.636 4.924 8.017 1.00 0.20 H new ATOM 0 HA THR A 55 -3.729 6.651 7.031 1.00 0.23 H new ATOM 0 HB THR A 55 -3.384 5.019 5.242 1.00 0.25 H new ATOM 0 HG1 THR A 55 -5.637 5.661 6.138 1.00 0.31 H new ATOM 0 HG21 THR A 55 -3.997 2.604 5.510 1.00 0.26 H new ATOM 0 HG22 THR A 55 -2.553 3.056 6.446 1.00 0.26 H new ATOM 0 HG23 THR A 55 -4.120 2.860 7.267 1.00 0.26 H new ATOM 700 N THR A 56 -5.462 5.701 8.691 1.00 0.27 N ATOM 701 CA THR A 56 -6.399 5.276 9.759 1.00 0.29 C ATOM 702 C THR A 56 -7.162 3.982 9.431 1.00 0.30 C ATOM 703 O THR A 56 -7.947 3.502 10.252 1.00 0.44 O ATOM 704 CB THR A 56 -7.423 6.378 10.107 1.00 0.36 C ATOM 705 OG1 THR A 56 -8.270 6.587 8.997 1.00 0.45 O ATOM 706 CG2 THR A 56 -6.762 7.727 10.383 1.00 0.39 C ATOM 0 H THR A 56 -5.876 6.378 8.051 1.00 0.27 H new ATOM 0 HA THR A 56 -5.758 5.083 10.619 1.00 0.29 H new ATOM 0 HB THR A 56 -7.954 6.038 10.996 1.00 0.36 H new ATOM 0 HG1 THR A 56 -8.924 7.284 9.211 1.00 0.45 H new ATOM 0 HG21 THR A 56 -7.528 8.465 10.622 1.00 0.39 H new ATOM 0 HG22 THR A 56 -6.075 7.630 11.224 1.00 0.39 H new ATOM 0 HG23 THR A 56 -6.211 8.049 9.500 1.00 0.39 H new ATOM 714 N LEU A 57 -6.973 3.410 8.237 1.00 0.30 N ATOM 715 CA LEU A 57 -7.643 2.179 7.801 1.00 0.36 C ATOM 716 C LEU A 57 -6.969 0.916 8.392 1.00 0.50 C ATOM 717 O LEU A 57 -5.759 0.942 8.649 1.00 0.59 O ATOM 718 CB LEU A 57 -7.716 2.146 6.261 1.00 0.29 C ATOM 719 CG LEU A 57 -8.424 3.355 5.608 1.00 0.29 C ATOM 720 CD1 LEU A 57 -8.499 3.146 4.095 1.00 0.46 C ATOM 721 CD2 LEU A 57 -9.839 3.591 6.136 1.00 0.46 C ATOM 0 H LEU A 57 -6.341 3.795 7.535 1.00 0.30 H new ATOM 0 HA LEU A 57 -8.662 2.177 8.187 1.00 0.36 H new ATOM 0 HB2 LEU A 57 -6.702 2.083 5.867 1.00 0.29 H new ATOM 0 HB3 LEU A 57 -8.233 1.236 5.957 1.00 0.29 H new ATOM 0 HG LEU A 57 -7.830 4.233 5.862 1.00 0.29 H new ATOM 0 HD11 LEU A 57 -8.998 3.998 3.634 1.00 0.46 H new ATOM 0 HD12 LEU A 57 -7.491 3.053 3.690 1.00 0.46 H new ATOM 0 HD13 LEU A 57 -9.061 2.237 3.881 1.00 0.46 H new ATOM 0 HD21 LEU A 57 -10.275 4.455 5.634 1.00 0.46 H new ATOM 0 HD22 LEU A 57 -10.451 2.711 5.942 1.00 0.46 H new ATOM 0 HD23 LEU A 57 -9.801 3.776 7.209 1.00 0.46 H new ATOM 733 N PRO A 58 -7.708 -0.197 8.604 1.00 0.57 N ATOM 734 CA PRO A 58 -7.163 -1.446 9.146 1.00 0.68 C ATOM 735 C PRO A 58 -6.564 -2.294 8.018 1.00 0.51 C ATOM 736 O PRO A 58 -7.074 -2.275 6.899 1.00 0.46 O ATOM 737 CB PRO A 58 -8.352 -2.176 9.801 1.00 0.90 C ATOM 738 CG PRO A 58 -9.520 -1.184 9.703 1.00 0.90 C ATOM 739 CD PRO A 58 -9.144 -0.392 8.457 1.00 0.62 C ATOM 0 HA PRO A 58 -6.366 -1.261 9.866 1.00 0.68 H new ATOM 0 HB2 PRO A 58 -8.579 -3.108 9.283 1.00 0.90 H new ATOM 0 HB3 PRO A 58 -8.136 -2.433 10.838 1.00 0.90 H new ATOM 0 HG2 PRO A 58 -10.479 -1.690 9.593 1.00 0.90 H new ATOM 0 HG3 PRO A 58 -9.594 -0.549 10.586 1.00 0.90 H new ATOM 0 HD2 PRO A 58 -9.384 -0.939 7.545 1.00 0.62 H new ATOM 0 HD3 PRO A 58 -9.676 0.558 8.409 1.00 0.62 H new ATOM 747 N SER A 59 -5.546 -3.116 8.277 1.00 0.52 N ATOM 748 CA SER A 59 -4.929 -3.943 7.217 1.00 0.52 C ATOM 749 C SER A 59 -5.886 -4.914 6.519 1.00 0.49 C ATOM 750 O SER A 59 -5.676 -5.194 5.341 1.00 0.62 O ATOM 751 CB SER A 59 -3.690 -4.695 7.698 1.00 0.63 C ATOM 752 OG SER A 59 -3.836 -5.227 9.004 1.00 1.21 O ATOM 0 H SER A 59 -5.128 -3.233 9.200 1.00 0.52 H new ATOM 0 HA SER A 59 -4.630 -3.207 6.470 1.00 0.52 H new ATOM 0 HB2 SER A 59 -3.472 -5.506 7.004 1.00 0.63 H new ATOM 0 HB3 SER A 59 -2.833 -4.021 7.680 1.00 0.63 H new ATOM 0 HG SER A 59 -3.015 -5.698 9.259 1.00 1.21 H new ATOM 758 N GLN A 60 -6.977 -5.333 7.169 1.00 0.48 N ATOM 759 CA GLN A 60 -8.059 -6.106 6.537 1.00 0.61 C ATOM 760 C GLN A 60 -8.732 -5.352 5.371 1.00 0.66 C ATOM 761 O GLN A 60 -9.230 -5.965 4.428 1.00 0.90 O ATOM 762 CB GLN A 60 -9.136 -6.474 7.578 1.00 0.73 C ATOM 763 CG GLN A 60 -8.594 -7.174 8.835 1.00 0.93 C ATOM 764 CD GLN A 60 -8.202 -6.223 9.946 1.00 1.58 C ATOM 765 OE1 GLN A 60 -9.024 -5.596 10.604 1.00 2.46 O ATOM 766 NE2 GLN A 60 -6.934 -6.069 10.194 1.00 2.66 N ATOM 0 H GLN A 60 -7.138 -5.145 8.158 1.00 0.48 H new ATOM 0 HA GLN A 60 -7.595 -7.006 6.132 1.00 0.61 H new ATOM 0 HB2 GLN A 60 -9.657 -5.566 7.880 1.00 0.73 H new ATOM 0 HB3 GLN A 60 -9.873 -7.123 7.106 1.00 0.73 H new ATOM 0 HG2 GLN A 60 -9.351 -7.863 9.210 1.00 0.93 H new ATOM 0 HG3 GLN A 60 -7.726 -7.773 8.560 1.00 0.93 H new ATOM 0 HE21 GLN A 60 -6.242 -6.586 9.652 1.00 2.66 H new ATOM 0 HE22 GLN A 60 -6.632 -5.431 10.930 1.00 2.66 H new ATOM 775 N GLU A 61 -8.726 -4.018 5.432 1.00 0.53 N ATOM 776 CA GLU A 61 -9.219 -3.110 4.398 1.00 0.54 C ATOM 777 C GLU A 61 -8.119 -2.795 3.373 1.00 0.56 C ATOM 778 O GLU A 61 -8.344 -2.908 2.169 1.00 0.64 O ATOM 779 CB GLU A 61 -9.754 -1.839 5.086 1.00 0.60 C ATOM 780 CG GLU A 61 -10.633 -0.984 4.173 1.00 0.76 C ATOM 781 CD GLU A 61 -11.259 0.244 4.855 1.00 1.41 C ATOM 782 OE1 GLU A 61 -11.465 0.244 6.091 1.00 2.52 O ATOM 783 OE2 GLU A 61 -11.683 1.178 4.130 1.00 2.31 O ATOM 0 H GLU A 61 -8.359 -3.520 6.243 1.00 0.53 H new ATOM 0 HA GLU A 61 -10.029 -3.579 3.840 1.00 0.54 H new ATOM 0 HB2 GLU A 61 -10.327 -2.125 5.968 1.00 0.60 H new ATOM 0 HB3 GLU A 61 -8.912 -1.240 5.434 1.00 0.60 H new ATOM 0 HG2 GLU A 61 -10.035 -0.648 3.326 1.00 0.76 H new ATOM 0 HG3 GLU A 61 -11.432 -1.607 3.772 1.00 0.76 H new ATOM 790 N VAL A 62 -6.902 -2.458 3.829 1.00 0.51 N ATOM 791 CA VAL A 62 -5.810 -2.035 2.956 1.00 0.46 C ATOM 792 C VAL A 62 -5.314 -3.192 2.093 1.00 0.45 C ATOM 793 O VAL A 62 -5.037 -2.963 0.921 1.00 0.44 O ATOM 794 CB VAL A 62 -4.641 -1.408 3.744 1.00 0.37 C ATOM 795 CG1 VAL A 62 -3.798 -0.535 2.815 1.00 0.34 C ATOM 796 CG2 VAL A 62 -5.052 -0.504 4.910 1.00 0.43 C ATOM 0 H VAL A 62 -6.653 -2.473 4.818 1.00 0.51 H new ATOM 0 HA VAL A 62 -6.214 -1.262 2.302 1.00 0.46 H new ATOM 0 HB VAL A 62 -4.103 -2.265 4.149 1.00 0.37 H new ATOM 0 HG11 VAL A 62 -2.974 -0.095 3.377 1.00 0.34 H new ATOM 0 HG12 VAL A 62 -3.399 -1.145 2.005 1.00 0.34 H new ATOM 0 HG13 VAL A 62 -4.418 0.259 2.400 1.00 0.34 H new ATOM 0 HG21 VAL A 62 -4.160 -0.113 5.399 1.00 0.43 H new ATOM 0 HG22 VAL A 62 -5.652 0.324 4.534 1.00 0.43 H new ATOM 0 HG23 VAL A 62 -5.637 -1.079 5.628 1.00 0.43 H new ATOM 806 N GLN A 63 -5.286 -4.436 2.600 1.00 0.46 N ATOM 807 CA GLN A 63 -4.973 -5.614 1.779 1.00 0.45 C ATOM 808 C GLN A 63 -5.870 -5.671 0.536 1.00 0.44 C ATOM 809 O GLN A 63 -5.361 -5.804 -0.573 1.00 0.40 O ATOM 810 CB GLN A 63 -5.117 -6.904 2.613 1.00 0.47 C ATOM 811 CG GLN A 63 -4.793 -8.174 1.797 1.00 0.52 C ATOM 812 CD GLN A 63 -5.167 -9.464 2.524 1.00 0.66 C ATOM 813 OE1 GLN A 63 -4.441 -9.996 3.358 1.00 1.30 O ATOM 814 NE2 GLN A 63 -6.320 -10.023 2.253 1.00 1.61 N ATOM 0 H GLN A 63 -5.477 -4.650 3.579 1.00 0.46 H new ATOM 0 HA GLN A 63 -3.939 -5.531 1.444 1.00 0.45 H new ATOM 0 HB2 GLN A 63 -4.453 -6.851 3.476 1.00 0.47 H new ATOM 0 HB3 GLN A 63 -6.135 -6.973 2.998 1.00 0.47 H new ATOM 0 HG2 GLN A 63 -5.324 -8.133 0.846 1.00 0.52 H new ATOM 0 HG3 GLN A 63 -3.728 -8.189 1.567 1.00 0.52 H new ATOM 0 HE21 GLN A 63 -6.942 -9.601 1.564 1.00 1.61 H new ATOM 0 HE22 GLN A 63 -6.596 -10.881 2.731 1.00 1.61 H new ATOM 823 N ALA A 64 -7.184 -5.507 0.701 1.00 0.52 N ATOM 824 CA ALA A 64 -8.136 -5.621 -0.395 1.00 0.57 C ATOM 825 C ALA A 64 -8.110 -4.372 -1.298 1.00 0.56 C ATOM 826 O ALA A 64 -8.392 -4.471 -2.497 1.00 0.59 O ATOM 827 CB ALA A 64 -9.520 -5.867 0.222 1.00 0.67 C ATOM 0 H ALA A 64 -7.614 -5.291 1.601 1.00 0.52 H new ATOM 0 HA ALA A 64 -7.872 -6.454 -1.046 1.00 0.57 H new ATOM 0 HB1 ALA A 64 -10.261 -5.958 -0.572 1.00 0.67 H new ATOM 0 HB2 ALA A 64 -9.500 -6.787 0.806 1.00 0.67 H new ATOM 0 HB3 ALA A 64 -9.783 -5.031 0.870 1.00 0.67 H new ATOM 833 N LEU A 65 -7.727 -3.212 -0.747 1.00 0.54 N ATOM 834 CA LEU A 65 -7.514 -1.978 -1.503 1.00 0.56 C ATOM 835 C LEU A 65 -6.270 -2.042 -2.409 1.00 0.47 C ATOM 836 O LEU A 65 -6.300 -1.562 -3.544 1.00 0.52 O ATOM 837 CB LEU A 65 -7.423 -0.790 -0.539 1.00 0.61 C ATOM 838 CG LEU A 65 -8.781 -0.297 -0.002 1.00 0.71 C ATOM 839 CD1 LEU A 65 -8.537 0.758 1.074 1.00 0.69 C ATOM 840 CD2 LEU A 65 -9.647 0.342 -1.091 1.00 0.83 C ATOM 0 H LEU A 65 -7.555 -3.107 0.253 1.00 0.54 H new ATOM 0 HA LEU A 65 -8.370 -1.847 -2.165 1.00 0.56 H new ATOM 0 HB2 LEU A 65 -6.793 -1.071 0.305 1.00 0.61 H new ATOM 0 HB3 LEU A 65 -6.926 0.036 -1.047 1.00 0.61 H new ATOM 0 HG LEU A 65 -9.306 -1.168 0.390 1.00 0.71 H new ATOM 0 HD11 LEU A 65 -9.493 1.112 1.460 1.00 0.69 H new ATOM 0 HD12 LEU A 65 -7.957 0.321 1.887 1.00 0.69 H new ATOM 0 HD13 LEU A 65 -7.986 1.595 0.645 1.00 0.69 H new ATOM 0 HD21 LEU A 65 -10.592 0.671 -0.658 1.00 0.83 H new ATOM 0 HD22 LEU A 65 -9.124 1.199 -1.516 1.00 0.83 H new ATOM 0 HD23 LEU A 65 -9.843 -0.389 -1.876 1.00 0.83 H new ATOM 852 N LEU A 66 -5.191 -2.648 -1.910 1.00 0.37 N ATOM 853 CA LEU A 66 -3.948 -2.935 -2.636 1.00 0.31 C ATOM 854 C LEU A 66 -4.162 -4.028 -3.700 1.00 0.30 C ATOM 855 O LEU A 66 -3.770 -3.853 -4.854 1.00 0.39 O ATOM 856 CB LEU A 66 -2.871 -3.356 -1.614 1.00 0.25 C ATOM 857 CG LEU A 66 -2.374 -2.219 -0.698 1.00 0.28 C ATOM 858 CD1 LEU A 66 -1.772 -2.786 0.592 1.00 0.24 C ATOM 859 CD2 LEU A 66 -1.306 -1.374 -1.400 1.00 0.38 C ATOM 0 H LEU A 66 -5.157 -2.968 -0.942 1.00 0.37 H new ATOM 0 HA LEU A 66 -3.621 -2.040 -3.166 1.00 0.31 H new ATOM 0 HB2 LEU A 66 -3.272 -4.156 -0.992 1.00 0.25 H new ATOM 0 HB3 LEU A 66 -2.019 -3.769 -2.154 1.00 0.25 H new ATOM 0 HG LEU A 66 -3.236 -1.595 -0.462 1.00 0.28 H new ATOM 0 HD11 LEU A 66 -1.428 -1.967 1.224 1.00 0.24 H new ATOM 0 HD12 LEU A 66 -2.529 -3.361 1.125 1.00 0.24 H new ATOM 0 HD13 LEU A 66 -0.930 -3.434 0.347 1.00 0.24 H new ATOM 0 HD21 LEU A 66 -0.973 -0.580 -0.732 1.00 0.38 H new ATOM 0 HD22 LEU A 66 -0.458 -2.006 -1.664 1.00 0.38 H new ATOM 0 HD23 LEU A 66 -1.726 -0.935 -2.305 1.00 0.38 H new ATOM 871 N GLU A 67 -4.847 -5.118 -3.340 1.00 0.32 N ATOM 872 CA GLU A 67 -5.251 -6.218 -4.233 1.00 0.41 C ATOM 873 C GLU A 67 -6.059 -5.728 -5.449 1.00 0.40 C ATOM 874 O GLU A 67 -5.855 -6.212 -6.566 1.00 0.49 O ATOM 875 CB GLU A 67 -6.078 -7.219 -3.405 1.00 0.56 C ATOM 876 CG GLU A 67 -5.222 -8.176 -2.556 1.00 0.46 C ATOM 877 CD GLU A 67 -4.787 -9.470 -3.257 1.00 1.51 C ATOM 878 OE1 GLU A 67 -5.571 -10.063 -4.036 1.00 2.09 O ATOM 879 OE2 GLU A 67 -3.706 -10.003 -2.906 1.00 2.99 O ATOM 0 H GLU A 67 -5.150 -5.268 -2.378 1.00 0.32 H new ATOM 0 HA GLU A 67 -4.355 -6.690 -4.636 1.00 0.41 H new ATOM 0 HB2 GLU A 67 -6.749 -6.666 -2.748 1.00 0.56 H new ATOM 0 HB3 GLU A 67 -6.703 -7.805 -4.079 1.00 0.56 H new ATOM 0 HG2 GLU A 67 -4.329 -7.643 -2.228 1.00 0.46 H new ATOM 0 HG3 GLU A 67 -5.783 -8.440 -1.660 1.00 0.46 H new ATOM 886 N GLY A 68 -6.909 -4.707 -5.266 1.00 0.40 N ATOM 887 CA GLY A 68 -7.684 -4.058 -6.334 1.00 0.50 C ATOM 888 C GLY A 68 -6.844 -3.411 -7.448 1.00 0.47 C ATOM 889 O GLY A 68 -7.344 -3.202 -8.557 1.00 0.70 O ATOM 0 H GLY A 68 -7.081 -4.299 -4.347 1.00 0.40 H new ATOM 0 HA2 GLY A 68 -8.346 -4.799 -6.783 1.00 0.50 H new ATOM 0 HA3 GLY A 68 -8.319 -3.292 -5.887 1.00 0.50 H new ATOM 893 N THR A 69 -5.544 -3.180 -7.221 1.00 0.36 N ATOM 894 CA THR A 69 -4.606 -2.694 -8.257 1.00 0.44 C ATOM 895 C THR A 69 -4.239 -3.774 -9.289 1.00 0.49 C ATOM 896 O THR A 69 -3.567 -3.477 -10.273 1.00 0.71 O ATOM 897 CB THR A 69 -3.352 -2.030 -7.657 1.00 0.49 C ATOM 898 OG1 THR A 69 -2.497 -2.952 -7.016 1.00 0.64 O ATOM 899 CG2 THR A 69 -3.741 -0.913 -6.700 1.00 0.72 C ATOM 0 H THR A 69 -5.106 -3.324 -6.311 1.00 0.36 H new ATOM 0 HA THR A 69 -5.148 -1.918 -8.799 1.00 0.44 H new ATOM 0 HB THR A 69 -2.793 -1.608 -8.493 1.00 0.49 H new ATOM 0 HG1 THR A 69 -2.999 -3.442 -6.331 1.00 0.64 H new ATOM 0 HG21 THR A 69 -2.841 -0.457 -6.287 1.00 0.72 H new ATOM 0 HG22 THR A 69 -4.317 -0.158 -7.236 1.00 0.72 H new ATOM 0 HG23 THR A 69 -4.345 -1.322 -5.890 1.00 0.72 H new ATOM 907 N GLY A 70 -4.705 -5.018 -9.112 1.00 0.41 N ATOM 908 CA GLY A 70 -4.559 -6.106 -10.090 1.00 0.49 C ATOM 909 C GLY A 70 -3.332 -7.000 -9.884 1.00 0.54 C ATOM 910 O GLY A 70 -2.841 -7.602 -10.840 1.00 0.75 O ATOM 0 H GLY A 70 -5.204 -5.302 -8.269 1.00 0.41 H new ATOM 0 HA2 GLY A 70 -5.453 -6.728 -10.055 1.00 0.49 H new ATOM 0 HA3 GLY A 70 -4.511 -5.673 -11.089 1.00 0.49 H new ATOM 914 N ARG A 71 -2.817 -7.049 -8.652 1.00 0.45 N ATOM 915 CA ARG A 71 -1.674 -7.850 -8.188 1.00 0.43 C ATOM 916 C ARG A 71 -1.891 -8.295 -6.745 1.00 0.45 C ATOM 917 O ARG A 71 -2.748 -7.750 -6.052 1.00 0.66 O ATOM 918 CB ARG A 71 -0.373 -7.037 -8.329 1.00 0.66 C ATOM 919 CG ARG A 71 -0.444 -5.642 -7.673 1.00 0.97 C ATOM 920 CD ARG A 71 0.781 -4.764 -7.957 1.00 0.75 C ATOM 921 NE ARG A 71 0.918 -4.384 -9.380 1.00 0.78 N ATOM 922 CZ ARG A 71 0.211 -3.482 -10.037 1.00 1.50 C ATOM 923 NH1 ARG A 71 -0.791 -2.855 -9.507 1.00 3.35 N ATOM 924 NH2 ARG A 71 0.481 -3.163 -11.265 1.00 1.33 N ATOM 0 H ARG A 71 -3.215 -6.491 -7.896 1.00 0.45 H new ATOM 0 HA ARG A 71 -1.588 -8.744 -8.805 1.00 0.43 H new ATOM 0 HB2 ARG A 71 0.447 -7.599 -7.882 1.00 0.66 H new ATOM 0 HB3 ARG A 71 -0.140 -6.921 -9.387 1.00 0.66 H new ATOM 0 HG2 ARG A 71 -1.338 -5.129 -8.027 1.00 0.97 H new ATOM 0 HG3 ARG A 71 -0.552 -5.762 -6.595 1.00 0.97 H new ATOM 0 HD2 ARG A 71 0.718 -3.859 -7.352 1.00 0.75 H new ATOM 0 HD3 ARG A 71 1.679 -5.295 -7.643 1.00 0.75 H new ATOM 0 HE ARG A 71 1.638 -4.872 -9.913 1.00 0.78 H new ATOM 0 HH11 ARG A 71 -1.063 -3.050 -8.543 1.00 3.35 H new ATOM 0 HH12 ARG A 71 -1.308 -2.166 -10.053 1.00 3.35 H new ATOM 0 HH21 ARG A 71 1.258 -3.613 -11.750 1.00 1.33 H new ATOM 0 HH22 ARG A 71 -0.083 -2.463 -11.746 1.00 1.33 H new ATOM 938 N GLN A 72 -1.084 -9.245 -6.279 1.00 0.35 N ATOM 939 CA GLN A 72 -1.137 -9.712 -4.893 1.00 0.38 C ATOM 940 C GLN A 72 -0.510 -8.694 -3.931 1.00 0.32 C ATOM 941 O GLN A 72 0.504 -8.064 -4.244 1.00 0.34 O ATOM 942 CB GLN A 72 -0.484 -11.096 -4.757 1.00 0.46 C ATOM 943 CG GLN A 72 -0.674 -11.840 -3.415 1.00 1.19 C ATOM 944 CD GLN A 72 -1.700 -12.968 -3.495 1.00 2.01 C ATOM 945 OE1 GLN A 72 -1.360 -14.146 -3.427 1.00 2.87 O ATOM 946 NE2 GLN A 72 -2.972 -12.661 -3.615 1.00 3.07 N ATOM 0 H GLN A 72 -0.377 -9.712 -6.847 1.00 0.35 H new ATOM 0 HA GLN A 72 -2.186 -9.810 -4.614 1.00 0.38 H new ATOM 0 HB2 GLN A 72 -0.872 -11.732 -5.553 1.00 0.46 H new ATOM 0 HB3 GLN A 72 0.586 -10.983 -4.932 1.00 0.46 H new ATOM 0 HG2 GLN A 72 0.284 -12.250 -3.095 1.00 1.19 H new ATOM 0 HG3 GLN A 72 -0.986 -11.127 -2.652 1.00 1.19 H new ATOM 0 HE21 GLN A 72 -3.258 -11.683 -3.672 1.00 3.07 H new ATOM 0 HE22 GLN A 72 -3.674 -13.400 -3.651 1.00 3.07 H new ATOM 955 N ALA A 73 -1.104 -8.619 -2.745 1.00 0.40 N ATOM 956 CA ALA A 73 -0.618 -7.921 -1.546 1.00 0.31 C ATOM 957 C ALA A 73 -0.595 -8.870 -0.329 1.00 0.38 C ATOM 958 O ALA A 73 -1.573 -9.567 -0.054 1.00 0.49 O ATOM 959 CB ALA A 73 -1.506 -6.697 -1.288 1.00 0.38 C ATOM 0 H ALA A 73 -2.001 -9.074 -2.578 1.00 0.40 H new ATOM 0 HA ALA A 73 0.407 -7.587 -1.708 1.00 0.31 H new ATOM 0 HB1 ALA A 73 -1.153 -6.172 -0.400 1.00 0.38 H new ATOM 0 HB2 ALA A 73 -1.461 -6.027 -2.147 1.00 0.38 H new ATOM 0 HB3 ALA A 73 -2.535 -7.020 -1.133 1.00 0.38 H new ATOM 965 N VAL A 74 0.515 -8.883 0.409 1.00 0.39 N ATOM 966 CA VAL A 74 0.784 -9.729 1.586 1.00 0.55 C ATOM 967 C VAL A 74 1.408 -8.863 2.667 1.00 0.54 C ATOM 968 O VAL A 74 2.416 -8.204 2.441 1.00 0.48 O ATOM 969 CB VAL A 74 1.757 -10.868 1.229 1.00 0.71 C ATOM 970 CG1 VAL A 74 2.278 -11.645 2.447 1.00 0.90 C ATOM 971 CG2 VAL A 74 1.080 -11.868 0.290 1.00 0.80 C ATOM 0 H VAL A 74 1.301 -8.269 0.194 1.00 0.39 H new ATOM 0 HA VAL A 74 -0.151 -10.169 1.932 1.00 0.55 H new ATOM 0 HB VAL A 74 2.608 -10.382 0.753 1.00 0.71 H new ATOM 0 HG11 VAL A 74 2.957 -12.430 2.114 1.00 0.90 H new ATOM 0 HG12 VAL A 74 2.808 -10.964 3.113 1.00 0.90 H new ATOM 0 HG13 VAL A 74 1.439 -12.093 2.979 1.00 0.90 H new ATOM 0 HG21 VAL A 74 1.779 -12.668 0.045 1.00 0.80 H new ATOM 0 HG22 VAL A 74 0.202 -12.290 0.779 1.00 0.80 H new ATOM 0 HG23 VAL A 74 0.776 -11.360 -0.625 1.00 0.80 H new ATOM 981 N LEU A 75 0.831 -8.842 3.858 1.00 0.63 N ATOM 982 CA LEU A 75 1.326 -7.996 4.935 1.00 0.61 C ATOM 983 C LEU A 75 2.534 -8.585 5.655 1.00 0.62 C ATOM 984 O LEU A 75 2.587 -9.784 5.935 1.00 0.77 O ATOM 985 CB LEU A 75 0.196 -7.660 5.875 1.00 0.69 C ATOM 986 CG LEU A 75 0.594 -6.593 6.910 1.00 0.72 C ATOM 987 CD1 LEU A 75 1.312 -5.356 6.359 1.00 1.18 C ATOM 988 CD2 LEU A 75 -0.704 -6.020 7.366 1.00 1.07 C ATOM 0 H LEU A 75 0.016 -9.403 4.105 1.00 0.63 H new ATOM 0 HA LEU A 75 1.695 -7.071 4.492 1.00 0.61 H new ATOM 0 HB2 LEU A 75 -0.658 -7.304 5.300 1.00 0.69 H new ATOM 0 HB3 LEU A 75 -0.123 -8.564 6.393 1.00 0.69 H new ATOM 0 HG LEU A 75 1.248 -7.086 7.629 1.00 0.72 H new ATOM 0 HD11 LEU A 75 1.543 -4.675 7.178 1.00 1.18 H new ATOM 0 HD12 LEU A 75 2.237 -5.660 5.868 1.00 1.18 H new ATOM 0 HD13 LEU A 75 0.668 -4.852 5.638 1.00 1.18 H new ATOM 0 HD21 LEU A 75 -0.518 -5.246 8.110 1.00 1.07 H new ATOM 0 HD22 LEU A 75 -1.229 -5.587 6.515 1.00 1.07 H new ATOM 0 HD23 LEU A 75 -1.315 -6.808 7.807 1.00 1.07 H new ATOM 1000 N LYS A 76 3.478 -7.707 5.992 1.00 0.50 N ATOM 1001 CA LYS A 76 4.693 -8.045 6.740 1.00 0.48 C ATOM 1002 C LYS A 76 4.689 -7.533 8.188 1.00 0.49 C ATOM 1003 O LYS A 76 5.172 -8.246 9.073 1.00 0.55 O ATOM 1004 CB LYS A 76 5.926 -7.623 5.929 1.00 0.48 C ATOM 1005 CG LYS A 76 5.971 -8.178 4.487 1.00 0.48 C ATOM 1006 CD LYS A 76 5.901 -9.710 4.316 1.00 0.58 C ATOM 1007 CE LYS A 76 7.084 -10.457 4.944 1.00 1.16 C ATOM 1008 NZ LYS A 76 7.007 -11.917 4.689 1.00 1.52 N ATOM 0 H LYS A 76 3.420 -6.718 5.748 1.00 0.50 H new ATOM 0 HA LYS A 76 4.729 -9.127 6.863 1.00 0.48 H new ATOM 0 HB2 LYS A 76 5.961 -6.534 5.886 1.00 0.48 H new ATOM 0 HB3 LYS A 76 6.821 -7.950 6.458 1.00 0.48 H new ATOM 0 HG2 LYS A 76 5.143 -7.738 3.930 1.00 0.48 H new ATOM 0 HG3 LYS A 76 6.891 -7.828 4.019 1.00 0.48 H new ATOM 0 HD2 LYS A 76 4.975 -10.074 4.762 1.00 0.58 H new ATOM 0 HD3 LYS A 76 5.857 -9.946 3.253 1.00 0.58 H new ATOM 0 HE2 LYS A 76 8.018 -10.066 4.540 1.00 1.16 H new ATOM 0 HE3 LYS A 76 7.100 -10.275 6.019 1.00 1.16 H new ATOM 0 HZ1 LYS A 76 7.823 -12.390 5.128 1.00 1.52 H new ATOM 0 HZ2 LYS A 76 6.128 -12.295 5.096 1.00 1.52 H new ATOM 0 HZ3 LYS A 76 7.017 -12.091 3.664 1.00 1.52 H new ATOM 1022 N GLY A 77 4.054 -6.392 8.456 1.00 0.45 N ATOM 1023 CA GLY A 77 3.700 -5.972 9.819 1.00 0.49 C ATOM 1024 C GLY A 77 3.016 -4.608 9.944 1.00 0.61 C ATOM 1025 O GLY A 77 2.201 -4.243 9.103 1.00 1.20 O ATOM 0 H GLY A 77 3.768 -5.729 7.735 1.00 0.45 H new ATOM 0 HA2 GLY A 77 3.043 -6.727 10.252 1.00 0.49 H new ATOM 0 HA3 GLY A 77 4.609 -5.957 10.421 1.00 0.49 H new ATOM 1029 N MET A 78 3.321 -3.865 11.007 1.00 0.57 N ATOM 1030 CA MET A 78 2.716 -2.595 11.397 1.00 0.78 C ATOM 1031 C MET A 78 3.779 -1.584 11.856 1.00 0.94 C ATOM 1032 O MET A 78 4.645 -1.886 12.687 1.00 1.18 O ATOM 1033 CB MET A 78 1.687 -2.866 12.505 1.00 1.17 C ATOM 1034 CG MET A 78 0.328 -3.098 11.850 1.00 1.08 C ATOM 1035 SD MET A 78 -0.958 -3.857 12.872 1.00 1.75 S ATOM 1036 CE MET A 78 -1.315 -5.258 11.777 1.00 1.45 C ATOM 0 H MET A 78 4.047 -4.155 11.662 1.00 0.57 H new ATOM 0 HA MET A 78 2.217 -2.150 10.536 1.00 0.78 H new ATOM 0 HB2 MET A 78 1.980 -3.737 13.091 1.00 1.17 H new ATOM 0 HB3 MET A 78 1.638 -2.022 13.193 1.00 1.17 H new ATOM 0 HG2 MET A 78 -0.045 -2.138 11.494 1.00 1.08 H new ATOM 0 HG3 MET A 78 0.478 -3.727 10.972 1.00 1.08 H new ATOM 0 HE1 MET A 78 -2.097 -5.875 12.219 1.00 1.45 H new ATOM 0 HE2 MET A 78 -1.649 -4.887 10.808 1.00 1.45 H new ATOM 0 HE3 MET A 78 -0.413 -5.856 11.645 1.00 1.45 H new ATOM 1046 N GLY A 79 3.680 -0.357 11.341 1.00 1.17 N ATOM 1047 CA GLY A 79 4.718 0.673 11.461 1.00 1.45 C ATOM 1048 C GLY A 79 5.631 0.764 10.227 1.00 2.13 C ATOM 1049 O GLY A 79 5.214 0.461 9.112 1.00 3.83 O ATOM 0 H GLY A 79 2.862 -0.044 10.819 1.00 1.17 H new ATOM 0 HA2 GLY A 79 4.243 1.640 11.625 1.00 1.45 H new ATOM 0 HA3 GLY A 79 5.327 0.464 12.340 1.00 1.45 H new TER 1053 GLY A 79 HETATM 1054 CU CU1 A 101 4.984 -2.936 -14.313 1.00 0.83 CU