USER MOD reduce.3.24.130724 H: found=0, std=0, add=526, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 523 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 22 CYS SG : rot 180:sc= 0 USER MOD Set 1.2: A 25 CYS SG : rot 180:sc= 0.323 USER MOD Set 2.1: A 13 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 54 HIS : no HD1:sc= -0.0898 X(o=-0.09,f=0) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 CYS SG : rot -83:sc= 0.177 USER MOD Single : A 19 GLN : amide:sc= -0.18 X(o=-0.18,f=-0.51) USER MOD Single : A 20 MET CE :methyl -140:sc= -0.942 (180deg=-5.59!) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc= -0.0859 X(o=-0.086,f=-0.086) 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 -69:sc= 1.23 USER MOD Single : A 34 GLN : amide:sc= -0.178 K(o=-0.18,f=-3.3!) USER MOD Single : A 40 GLN : amide:sc= -0.216 X(o=-0.22,f=-0.47) USER MOD Single : A 45 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 49 GLN : amide:sc= -0.0171 X(o=-0.017,f=-0.017) USER MOD Single : A 50 MET CE :methyl -171:sc= -0.0308 (180deg=-0.0748) USER MOD Single : A 55 THR OG1 : rot 50:sc= 1.67 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0.0541 USER MOD Single : A 60 GLN : amide:sc= 0.647 K(o=0.65,f=-5!) USER MOD Single : A 63 GLN : amide:sc= 0.615 K(o=0.62,f=-0.28) USER MOD Single : A 69 THR OG1 : rot -93:sc= 1.42 USER MOD Single : A 72 GLN : amide:sc= 0 K(o=0,f=-0.61) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 MET CE :methyl -168:sc= 0 (180deg=-0.235) USER MOD ----------------------------------------------------------------- ATOM 8 N THR A 10 -7.297 5.402 13.834 1.00 0.68 N ATOM 9 CA THR A 10 -6.197 6.297 14.217 1.00 0.52 C ATOM 10 C THR A 10 -4.897 5.963 13.488 1.00 0.43 C ATOM 11 O THR A 10 -4.698 4.837 13.029 1.00 0.44 O ATOM 12 CB THR A 10 -6.005 6.246 15.735 1.00 0.62 C ATOM 13 OG1 THR A 10 -4.985 7.109 16.181 1.00 0.67 O ATOM 14 CG2 THR A 10 -5.672 4.843 16.239 1.00 0.84 C ATOM 0 HA THR A 10 -6.465 7.311 13.919 1.00 0.52 H new ATOM 0 HB THR A 10 -6.965 6.566 16.140 1.00 0.62 H new ATOM 0 HG1 THR A 10 -4.902 7.042 17.155 1.00 0.67 H new ATOM 0 HG21 THR A 10 -5.546 4.866 17.322 1.00 0.84 H new ATOM 0 HG22 THR A 10 -6.483 4.162 15.982 1.00 0.84 H new ATOM 0 HG23 THR A 10 -4.748 4.499 15.774 1.00 0.84 H new ATOM 22 N LEU A 11 -4.032 6.957 13.308 1.00 0.44 N ATOM 23 CA LEU A 11 -2.931 6.943 12.365 1.00 0.47 C ATOM 24 C LEU A 11 -1.746 6.055 12.777 1.00 0.48 C ATOM 25 O LEU A 11 -1.121 6.234 13.826 1.00 0.57 O ATOM 26 CB LEU A 11 -2.539 8.409 12.103 1.00 0.51 C ATOM 27 CG LEU A 11 -3.264 9.007 10.884 1.00 1.27 C ATOM 28 CD1 LEU A 11 -3.149 10.519 10.810 1.00 2.99 C ATOM 29 CD2 LEU A 11 -2.757 8.467 9.545 1.00 0.98 C ATOM 0 H LEU A 11 -4.086 7.826 13.839 1.00 0.44 H new ATOM 0 HA LEU A 11 -3.260 6.469 11.440 1.00 0.47 H new ATOM 0 HB2 LEU A 11 -2.768 9.006 12.986 1.00 0.51 H new ATOM 0 HB3 LEU A 11 -1.462 8.471 11.947 1.00 0.51 H new ATOM 0 HG LEU A 11 -4.300 8.707 11.040 1.00 1.27 H new ATOM 0 HD11 LEU A 11 -3.680 10.882 9.930 1.00 2.99 H new ATOM 0 HD12 LEU A 11 -3.586 10.961 11.705 1.00 2.99 H new ATOM 0 HD13 LEU A 11 -2.098 10.801 10.742 1.00 2.99 H new ATOM 0 HD21 LEU A 11 -3.313 8.932 8.731 1.00 0.98 H new ATOM 0 HD22 LEU A 11 -1.697 8.697 9.438 1.00 0.98 H new ATOM 0 HD23 LEU A 11 -2.900 7.387 9.511 1.00 0.98 H new ATOM 41 N CYS A 12 -1.419 5.125 11.881 1.00 0.43 N ATOM 42 CA CYS A 12 -0.256 4.240 11.905 1.00 0.44 C ATOM 43 C CYS A 12 0.311 4.096 10.488 1.00 0.38 C ATOM 44 O CYS A 12 -0.353 4.430 9.505 1.00 0.52 O ATOM 45 CB CYS A 12 -0.649 2.866 12.455 1.00 0.61 C ATOM 46 SG CYS A 12 0.815 1.935 13.005 1.00 2.57 S ATOM 0 H CYS A 12 -2.002 4.959 11.061 1.00 0.43 H new ATOM 0 HA CYS A 12 0.506 4.671 12.554 1.00 0.44 H new ATOM 0 HB2 CYS A 12 -1.340 2.989 13.289 1.00 0.61 H new ATOM 0 HB3 CYS A 12 -1.175 2.300 11.686 1.00 0.61 H new ATOM 0 HG CYS A 12 1.366 1.349 11.983 1.00 2.57 H new ATOM 52 N THR A 13 1.546 3.622 10.387 1.00 0.34 N ATOM 53 CA THR A 13 2.070 3.026 9.151 1.00 0.21 C ATOM 54 C THR A 13 1.593 1.576 9.059 1.00 0.42 C ATOM 55 O THR A 13 1.679 0.831 10.036 1.00 0.78 O ATOM 56 CB THR A 13 3.603 2.998 9.148 1.00 0.37 C ATOM 57 OG1 THR A 13 4.187 4.222 9.532 1.00 0.68 O ATOM 58 CG2 THR A 13 4.158 2.643 7.765 1.00 0.42 C ATOM 0 H THR A 13 2.217 3.637 11.155 1.00 0.34 H new ATOM 0 HA THR A 13 1.715 3.628 8.315 1.00 0.21 H new ATOM 0 HB THR A 13 3.863 2.234 9.881 1.00 0.37 H new ATOM 0 HG1 THR A 13 5.163 4.139 9.511 1.00 0.68 H new ATOM 0 HG21 THR A 13 5.247 2.633 7.802 1.00 0.42 H new ATOM 0 HG22 THR A 13 3.796 1.658 7.469 1.00 0.42 H new ATOM 0 HG23 THR A 13 3.826 3.385 7.038 1.00 0.42 H new ATOM 66 N LEU A 14 1.188 1.136 7.873 1.00 0.26 N ATOM 67 CA LEU A 14 1.023 -0.273 7.507 1.00 0.34 C ATOM 68 C LEU A 14 1.885 -0.603 6.296 1.00 0.48 C ATOM 69 O LEU A 14 2.015 0.202 5.376 1.00 0.50 O ATOM 70 CB LEU A 14 -0.459 -0.573 7.328 1.00 0.54 C ATOM 71 CG LEU A 14 -0.961 -1.189 8.643 1.00 0.68 C ATOM 72 CD1 LEU A 14 -2.455 -1.069 8.703 1.00 1.46 C ATOM 73 CD2 LEU A 14 -0.632 -2.677 8.711 1.00 2.59 C ATOM 0 H LEU A 14 0.956 1.771 7.109 1.00 0.26 H new ATOM 0 HA LEU A 14 1.376 -0.930 8.302 1.00 0.34 H new ATOM 0 HB2 LEU A 14 -1.010 0.338 7.095 1.00 0.54 H new ATOM 0 HB3 LEU A 14 -0.614 -1.261 6.497 1.00 0.54 H new ATOM 0 HG LEU A 14 -0.477 -0.662 9.465 1.00 0.68 H new ATOM 0 HD11 LEU A 14 -2.818 -1.504 9.634 1.00 1.46 H new ATOM 0 HD12 LEU A 14 -2.738 -0.017 8.660 1.00 1.46 H new ATOM 0 HD13 LEU A 14 -2.897 -1.598 7.859 1.00 1.46 H new ATOM 0 HD21 LEU A 14 -0.998 -3.088 9.652 1.00 2.59 H new ATOM 0 HD22 LEU A 14 -1.110 -3.194 7.879 1.00 2.59 H new ATOM 0 HD23 LEU A 14 0.448 -2.814 8.651 1.00 2.59 H new ATOM 85 N GLU A 15 2.534 -1.759 6.366 1.00 0.61 N ATOM 86 CA GLU A 15 3.769 -2.048 5.642 1.00 0.50 C ATOM 87 C GLU A 15 3.707 -3.425 4.974 1.00 0.25 C ATOM 88 O GLU A 15 4.002 -4.479 5.540 1.00 0.31 O ATOM 89 CB GLU A 15 4.919 -1.901 6.630 1.00 0.78 C ATOM 90 CG GLU A 15 6.277 -2.059 5.973 1.00 1.65 C ATOM 91 CD GLU A 15 7.420 -1.969 6.995 1.00 1.34 C ATOM 92 OE1 GLU A 15 7.570 -0.942 7.700 1.00 1.66 O ATOM 93 OE2 GLU A 15 8.184 -2.954 7.152 1.00 2.15 O ATOM 0 H GLU A 15 2.211 -2.539 6.939 1.00 0.61 H new ATOM 0 HA GLU A 15 3.921 -1.347 4.821 1.00 0.50 H new ATOM 0 HB2 GLU A 15 4.861 -0.922 7.106 1.00 0.78 H new ATOM 0 HB3 GLU A 15 4.813 -2.645 7.419 1.00 0.78 H new ATOM 0 HG2 GLU A 15 6.323 -3.020 5.460 1.00 1.65 H new ATOM 0 HG3 GLU A 15 6.406 -1.287 5.215 1.00 1.65 H new ATOM 100 N PHE A 16 3.268 -3.381 3.730 1.00 0.21 N ATOM 101 CA PHE A 16 2.909 -4.530 2.899 1.00 0.19 C ATOM 102 C PHE A 16 3.979 -4.871 1.869 1.00 0.19 C ATOM 103 O PHE A 16 4.577 -3.995 1.260 1.00 0.28 O ATOM 104 CB PHE A 16 1.591 -4.252 2.168 1.00 0.24 C ATOM 105 CG PHE A 16 0.329 -4.283 2.993 1.00 0.29 C ATOM 106 CD1 PHE A 16 -0.117 -3.124 3.652 1.00 1.41 C ATOM 107 CD2 PHE A 16 -0.448 -5.458 3.022 1.00 1.62 C ATOM 108 CE1 PHE A 16 -1.362 -3.127 4.302 1.00 1.39 C ATOM 109 CE2 PHE A 16 -1.693 -5.460 3.670 1.00 1.68 C ATOM 110 CZ PHE A 16 -2.158 -4.286 4.291 1.00 0.47 C ATOM 0 H PHE A 16 3.143 -2.496 3.239 1.00 0.21 H new ATOM 0 HA PHE A 16 2.808 -5.383 3.570 1.00 0.19 H new ATOM 0 HB2 PHE A 16 1.665 -3.271 1.699 1.00 0.24 H new ATOM 0 HB3 PHE A 16 1.489 -4.982 1.365 1.00 0.24 H new ATOM 0 HD1 PHE A 16 0.496 -2.235 3.658 1.00 1.41 H new ATOM 0 HD2 PHE A 16 -0.086 -6.357 2.546 1.00 1.62 H new ATOM 0 HE1 PHE A 16 -1.708 -2.239 4.810 1.00 1.39 H new ATOM 0 HE2 PHE A 16 -2.292 -6.359 3.692 1.00 1.68 H new ATOM 0 HZ PHE A 16 -3.130 -4.275 4.761 1.00 0.47 H new ATOM 120 N ALA A 17 4.136 -6.158 1.594 1.00 0.26 N ATOM 121 CA ALA A 17 4.808 -6.668 0.396 1.00 0.29 C ATOM 122 C ALA A 17 3.798 -6.885 -0.748 1.00 0.29 C ATOM 123 O ALA A 17 2.634 -7.176 -0.484 1.00 0.46 O ATOM 124 CB ALA A 17 5.571 -7.935 0.763 1.00 0.42 C ATOM 0 H ALA A 17 3.794 -6.897 2.208 1.00 0.26 H new ATOM 0 HA ALA A 17 5.526 -5.937 0.025 1.00 0.29 H new ATOM 0 HB1 ALA A 17 6.076 -8.325 -0.121 1.00 0.42 H new ATOM 0 HB2 ALA A 17 6.310 -7.705 1.531 1.00 0.42 H new ATOM 0 HB3 ALA A 17 4.874 -8.683 1.142 1.00 0.42 H new ATOM 130 N VAL A 18 4.193 -6.690 -2.008 1.00 0.26 N ATOM 131 CA VAL A 18 3.306 -6.743 -3.194 1.00 0.26 C ATOM 132 C VAL A 18 3.973 -7.421 -4.397 1.00 0.36 C ATOM 133 O VAL A 18 5.199 -7.464 -4.492 1.00 0.60 O ATOM 134 CB VAL A 18 2.817 -5.332 -3.590 1.00 0.39 C ATOM 135 CG1 VAL A 18 1.727 -4.801 -2.650 1.00 0.45 C ATOM 136 CG2 VAL A 18 3.950 -4.321 -3.611 1.00 0.47 C ATOM 0 H VAL A 18 5.163 -6.485 -2.248 1.00 0.26 H new ATOM 0 HA VAL A 18 2.448 -7.350 -2.906 1.00 0.26 H new ATOM 0 HB VAL A 18 2.404 -5.447 -4.592 1.00 0.39 H new ATOM 0 HG11 VAL A 18 1.420 -3.807 -2.974 1.00 0.45 H new ATOM 0 HG12 VAL A 18 0.868 -5.472 -2.673 1.00 0.45 H new ATOM 0 HG13 VAL A 18 2.118 -4.747 -1.634 1.00 0.45 H new ATOM 0 HG21 VAL A 18 3.560 -3.343 -3.894 1.00 0.47 H new ATOM 0 HG22 VAL A 18 4.400 -4.259 -2.620 1.00 0.47 H new ATOM 0 HG23 VAL A 18 4.704 -4.634 -4.333 1.00 0.47 H new ATOM 146 N GLN A 19 3.186 -7.933 -5.353 1.00 0.34 N ATOM 147 CA GLN A 19 3.744 -8.492 -6.597 1.00 0.43 C ATOM 148 C GLN A 19 3.828 -7.419 -7.699 1.00 0.41 C ATOM 149 O GLN A 19 2.933 -7.299 -8.537 1.00 0.48 O ATOM 150 CB GLN A 19 2.906 -9.710 -7.037 1.00 0.59 C ATOM 151 CG GLN A 19 3.085 -10.905 -6.087 1.00 1.56 C ATOM 152 CD GLN A 19 2.174 -12.092 -6.395 1.00 2.34 C ATOM 153 OE1 GLN A 19 1.508 -12.182 -7.427 1.00 2.97 O ATOM 154 NE2 GLN A 19 2.091 -13.028 -5.484 1.00 3.29 N ATOM 0 H GLN A 19 2.169 -7.973 -5.292 1.00 0.34 H new ATOM 0 HA GLN A 19 4.764 -8.829 -6.413 1.00 0.43 H new ATOM 0 HB2 GLN A 19 1.853 -9.431 -7.075 1.00 0.59 H new ATOM 0 HB3 GLN A 19 3.194 -10.003 -8.047 1.00 0.59 H new ATOM 0 HG2 GLN A 19 4.122 -11.237 -6.130 1.00 1.56 H new ATOM 0 HG3 GLN A 19 2.899 -10.574 -5.065 1.00 1.56 H new ATOM 0 HE21 GLN A 19 2.641 -12.957 -4.628 1.00 3.29 H new ATOM 0 HE22 GLN A 19 1.476 -13.829 -5.630 1.00 3.29 H new ATOM 163 N MET A 20 4.940 -6.677 -7.744 1.00 0.40 N ATOM 164 CA MET A 20 5.317 -5.779 -8.846 1.00 0.41 C ATOM 165 C MET A 20 6.840 -5.601 -8.918 1.00 0.50 C ATOM 166 O MET A 20 7.526 -5.745 -7.908 1.00 0.65 O ATOM 167 CB MET A 20 4.633 -4.412 -8.698 1.00 0.45 C ATOM 168 CG MET A 20 4.990 -3.711 -7.386 1.00 0.35 C ATOM 169 SD MET A 20 4.200 -2.101 -7.158 1.00 0.73 S ATOM 170 CE MET A 20 4.989 -1.675 -5.589 1.00 0.35 C ATOM 0 H MET A 20 5.627 -6.684 -6.990 1.00 0.40 H new ATOM 0 HA MET A 20 4.979 -6.239 -9.775 1.00 0.41 H new ATOM 0 HB2 MET A 20 4.919 -3.775 -9.535 1.00 0.45 H new ATOM 0 HB3 MET A 20 3.552 -4.543 -8.752 1.00 0.45 H new ATOM 0 HG2 MET A 20 4.712 -4.359 -6.555 1.00 0.35 H new ATOM 0 HG3 MET A 20 6.071 -3.581 -7.341 1.00 0.35 H new ATOM 0 HE1 MET A 20 4.261 -1.196 -4.934 1.00 0.35 H new ATOM 0 HE2 MET A 20 5.365 -2.581 -5.113 1.00 0.35 H new ATOM 0 HE3 MET A 20 5.818 -0.991 -5.772 1.00 0.35 H new ATOM 180 N THR A 21 7.367 -5.276 -10.099 1.00 0.55 N ATOM 181 CA THR A 21 8.814 -5.256 -10.375 1.00 0.76 C ATOM 182 C THR A 21 9.260 -4.240 -11.442 1.00 0.59 C ATOM 183 O THR A 21 10.425 -3.841 -11.409 1.00 0.81 O ATOM 184 CB THR A 21 9.282 -6.690 -10.691 1.00 1.23 C ATOM 185 OG1 THR A 21 10.640 -6.748 -11.069 1.00 2.66 O ATOM 186 CG2 THR A 21 8.463 -7.396 -11.772 1.00 1.16 C ATOM 0 H THR A 21 6.798 -5.015 -10.905 1.00 0.55 H new ATOM 0 HA THR A 21 9.308 -4.895 -9.473 1.00 0.76 H new ATOM 0 HB THR A 21 9.131 -7.214 -9.747 1.00 1.23 H new ATOM 0 HG1 THR A 21 10.888 -7.677 -11.257 1.00 2.66 H new ATOM 0 HG21 THR A 21 8.859 -8.399 -11.932 1.00 1.16 H new ATOM 0 HG22 THR A 21 7.423 -7.464 -11.454 1.00 1.16 H new ATOM 0 HG23 THR A 21 8.522 -6.830 -12.701 1.00 1.16 H new ATOM 194 N CYS A 22 8.374 -3.754 -12.325 1.00 0.53 N ATOM 195 CA CYS A 22 8.687 -2.693 -13.289 1.00 0.60 C ATOM 196 C CYS A 22 7.946 -1.354 -13.023 1.00 0.59 C ATOM 197 O CYS A 22 6.899 -1.307 -12.373 1.00 0.60 O ATOM 198 CB CYS A 22 8.587 -3.264 -14.716 1.00 0.78 C ATOM 199 SG CYS A 22 6.964 -3.788 -15.353 1.00 1.47 S ATOM 0 H CYS A 22 7.413 -4.090 -12.389 1.00 0.53 H new ATOM 0 HA CYS A 22 9.721 -2.376 -13.155 1.00 0.60 H new ATOM 0 HB2 CYS A 22 8.979 -2.510 -15.399 1.00 0.78 H new ATOM 0 HB3 CYS A 22 9.255 -4.124 -14.773 1.00 0.78 H new ATOM 0 HG CYS A 22 7.098 -4.234 -16.567 1.00 1.47 H new ATOM 204 N GLN A 23 8.537 -0.256 -13.518 1.00 0.63 N ATOM 205 CA GLN A 23 8.274 1.130 -13.090 1.00 0.64 C ATOM 206 C GLN A 23 6.831 1.637 -13.291 1.00 0.61 C ATOM 207 O GLN A 23 6.403 2.562 -12.592 1.00 0.64 O ATOM 208 CB GLN A 23 9.274 2.077 -13.774 1.00 0.74 C ATOM 209 CG GLN A 23 10.737 1.902 -13.316 1.00 1.40 C ATOM 210 CD GLN A 23 10.950 2.001 -11.803 1.00 1.44 C ATOM 211 OE1 GLN A 23 11.500 1.109 -11.168 1.00 3.07 O ATOM 212 NE2 GLN A 23 10.545 3.069 -11.151 1.00 1.57 N ATOM 0 H GLN A 23 9.239 -0.309 -14.256 1.00 0.63 H new ATOM 0 HA GLN A 23 8.407 1.125 -12.008 1.00 0.64 H new ATOM 0 HB2 GLN A 23 9.223 1.922 -14.852 1.00 0.74 H new ATOM 0 HB3 GLN A 23 8.968 3.106 -13.585 1.00 0.74 H new ATOM 0 HG2 GLN A 23 11.097 0.931 -13.657 1.00 1.40 H new ATOM 0 HG3 GLN A 23 11.350 2.659 -13.806 1.00 1.40 H new ATOM 0 HE21 GLN A 23 10.084 3.828 -11.652 1.00 1.57 H new ATOM 0 HE22 GLN A 23 10.692 3.138 -10.144 1.00 1.57 H new ATOM 221 N SER A 24 6.052 1.036 -14.194 1.00 0.61 N ATOM 222 CA SER A 24 4.642 1.404 -14.414 1.00 0.63 C ATOM 223 C SER A 24 3.738 0.990 -13.248 1.00 0.53 C ATOM 224 O SER A 24 2.837 1.749 -12.884 1.00 0.66 O ATOM 225 CB SER A 24 4.113 0.773 -15.712 1.00 0.80 C ATOM 226 OG SER A 24 5.032 0.935 -16.784 1.00 1.16 O ATOM 0 H SER A 24 6.377 0.279 -14.796 1.00 0.61 H new ATOM 0 HA SER A 24 4.616 2.491 -14.491 1.00 0.63 H new ATOM 0 HB2 SER A 24 3.924 -0.288 -15.551 1.00 0.80 H new ATOM 0 HB3 SER A 24 3.159 1.230 -15.977 1.00 0.80 H new ATOM 0 HG SER A 24 4.666 0.521 -17.594 1.00 1.16 H new ATOM 232 N CYS A 25 4.010 -0.166 -12.630 1.00 0.48 N ATOM 233 CA CYS A 25 3.199 -0.736 -11.565 1.00 0.42 C ATOM 234 C CYS A 25 3.406 0.026 -10.237 1.00 0.31 C ATOM 235 O CYS A 25 2.449 0.320 -9.535 1.00 0.33 O ATOM 236 CB CYS A 25 3.549 -2.229 -11.473 1.00 0.53 C ATOM 237 SG CYS A 25 3.178 -3.214 -12.953 1.00 0.85 S ATOM 0 H CYS A 25 4.820 -0.738 -12.867 1.00 0.48 H new ATOM 0 HA CYS A 25 2.136 -0.635 -11.782 1.00 0.42 H new ATOM 0 HB2 CYS A 25 4.613 -2.322 -11.254 1.00 0.53 H new ATOM 0 HB3 CYS A 25 3.011 -2.659 -10.628 1.00 0.53 H new ATOM 0 HG CYS A 25 3.521 -4.451 -12.748 1.00 0.85 H new ATOM 242 N VAL A 26 4.646 0.412 -9.934 1.00 0.36 N ATOM 243 CA VAL A 26 5.057 1.287 -8.826 1.00 0.38 C ATOM 244 C VAL A 26 4.152 2.512 -8.735 1.00 0.39 C ATOM 245 O VAL A 26 3.488 2.729 -7.723 1.00 0.44 O ATOM 246 CB VAL A 26 6.520 1.739 -9.049 1.00 0.49 C ATOM 247 CG1 VAL A 26 7.204 2.141 -7.751 1.00 0.48 C ATOM 248 CG2 VAL A 26 7.363 0.635 -9.651 1.00 0.75 C ATOM 0 H VAL A 26 5.444 0.104 -10.489 1.00 0.36 H new ATOM 0 HA VAL A 26 4.976 0.730 -7.893 1.00 0.38 H new ATOM 0 HB VAL A 26 6.451 2.592 -9.724 1.00 0.49 H new ATOM 0 HG11 VAL A 26 8.228 2.450 -7.960 1.00 0.48 H new ATOM 0 HG12 VAL A 26 6.661 2.969 -7.295 1.00 0.48 H new ATOM 0 HG13 VAL A 26 7.214 1.292 -7.067 1.00 0.48 H new ATOM 0 HG21 VAL A 26 8.383 0.992 -9.792 1.00 0.75 H new ATOM 0 HG22 VAL A 26 7.369 -0.225 -8.981 1.00 0.75 H new ATOM 0 HG23 VAL A 26 6.945 0.342 -10.614 1.00 0.75 H new ATOM 258 N ASP A 27 4.055 3.260 -9.835 1.00 0.40 N ATOM 259 CA ASP A 27 3.171 4.416 -9.958 1.00 0.48 C ATOM 260 C ASP A 27 1.688 4.023 -9.970 1.00 0.39 C ATOM 261 O ASP A 27 0.872 4.755 -9.410 1.00 0.45 O ATOM 262 CB ASP A 27 3.545 5.198 -11.226 1.00 0.69 C ATOM 263 CG ASP A 27 4.587 6.299 -11.007 1.00 1.96 C ATOM 264 OD1 ASP A 27 4.905 6.684 -9.856 1.00 3.24 O ATOM 265 OD2 ASP A 27 5.073 6.845 -12.024 1.00 2.63 O ATOM 0 H ASP A 27 4.598 3.075 -10.678 1.00 0.40 H new ATOM 0 HA ASP A 27 3.309 5.047 -9.080 1.00 0.48 H new ATOM 0 HB2 ASP A 27 3.925 4.498 -11.971 1.00 0.69 H new ATOM 0 HB3 ASP A 27 2.642 5.646 -11.641 1.00 0.69 H new ATOM 270 N ALA A 28 1.324 2.858 -10.519 1.00 0.32 N ATOM 271 CA ALA A 28 -0.080 2.438 -10.534 1.00 0.33 C ATOM 272 C ALA A 28 -0.593 2.182 -9.115 1.00 0.34 C ATOM 273 O ALA A 28 -1.651 2.696 -8.735 1.00 0.48 O ATOM 274 CB ALA A 28 -0.274 1.188 -11.391 1.00 0.34 C ATOM 0 H ALA A 28 1.971 2.199 -10.952 1.00 0.32 H new ATOM 0 HA ALA A 28 -0.657 3.252 -10.973 1.00 0.33 H new ATOM 0 HB1 ALA A 28 -1.325 0.901 -11.383 1.00 0.34 H new ATOM 0 HB2 ALA A 28 0.037 1.397 -12.415 1.00 0.34 H new ATOM 0 HB3 ALA A 28 0.328 0.374 -10.988 1.00 0.34 H new ATOM 280 N VAL A 29 0.177 1.447 -8.300 1.00 0.28 N ATOM 281 CA VAL A 29 -0.197 1.140 -6.935 1.00 0.34 C ATOM 282 C VAL A 29 -0.128 2.395 -6.072 1.00 0.38 C ATOM 283 O VAL A 29 -1.088 2.647 -5.348 1.00 0.52 O ATOM 284 CB VAL A 29 0.623 -0.027 -6.356 1.00 0.44 C ATOM 285 CG1 VAL A 29 -0.053 -0.515 -5.080 1.00 0.58 C ATOM 286 CG2 VAL A 29 0.648 -1.276 -7.243 1.00 0.47 C ATOM 0 H VAL A 29 1.075 1.054 -8.580 1.00 0.28 H new ATOM 0 HA VAL A 29 -1.232 0.797 -6.935 1.00 0.34 H new ATOM 0 HB VAL A 29 1.631 0.369 -6.232 1.00 0.44 H new ATOM 0 HG11 VAL A 29 0.518 -1.342 -4.659 1.00 0.58 H new ATOM 0 HG12 VAL A 29 -0.098 0.300 -4.357 1.00 0.58 H new ATOM 0 HG13 VAL A 29 -1.064 -0.852 -5.310 1.00 0.58 H new ATOM 0 HG21 VAL A 29 1.246 -2.051 -6.764 1.00 0.47 H new ATOM 0 HG22 VAL A 29 -0.369 -1.640 -7.387 1.00 0.47 H new ATOM 0 HG23 VAL A 29 1.085 -1.027 -8.210 1.00 0.47 H new ATOM 296 N ARG A 30 0.894 3.257 -6.214 1.00 0.34 N ATOM 297 CA ARG A 30 0.935 4.572 -5.539 1.00 0.41 C ATOM 298 C ARG A 30 -0.339 5.380 -5.810 1.00 0.49 C ATOM 299 O ARG A 30 -0.899 5.973 -4.889 1.00 0.56 O ATOM 300 CB ARG A 30 2.132 5.403 -6.067 1.00 0.43 C ATOM 301 CG ARG A 30 3.548 5.020 -5.592 1.00 0.42 C ATOM 302 CD ARG A 30 4.625 5.515 -6.591 1.00 0.45 C ATOM 303 NE ARG A 30 5.775 6.154 -5.925 1.00 0.92 N ATOM 304 CZ ARG A 30 6.694 6.917 -6.490 1.00 1.80 C ATOM 305 NH1 ARG A 30 6.733 7.205 -7.759 1.00 2.90 N ATOM 306 NH2 ARG A 30 7.626 7.442 -5.757 1.00 2.24 N ATOM 0 H ARG A 30 1.711 3.067 -6.795 1.00 0.34 H new ATOM 0 HA ARG A 30 1.030 4.381 -4.470 1.00 0.41 H new ATOM 0 HB2 ARG A 30 2.120 5.350 -7.156 1.00 0.43 H new ATOM 0 HB3 ARG A 30 1.960 6.445 -5.796 1.00 0.43 H new ATOM 0 HG2 ARG A 30 3.734 5.452 -4.609 1.00 0.42 H new ATOM 0 HG3 ARG A 30 3.618 3.938 -5.484 1.00 0.42 H new ATOM 0 HD2 ARG A 30 4.978 4.672 -7.184 1.00 0.45 H new ATOM 0 HD3 ARG A 30 4.172 6.225 -7.283 1.00 0.45 H new ATOM 0 HE ARG A 30 5.871 5.990 -4.923 1.00 0.92 H new ATOM 0 HH11 ARG A 30 6.022 6.833 -8.388 1.00 2.90 H new ATOM 0 HH12 ARG A 30 7.475 7.802 -8.124 1.00 2.90 H new ATOM 0 HH21 ARG A 30 7.646 7.265 -4.753 1.00 2.24 H new ATOM 0 HH22 ARG A 30 8.339 8.032 -6.185 1.00 2.24 H new ATOM 320 N LYS A 31 -0.838 5.371 -7.051 1.00 0.53 N ATOM 321 CA LYS A 31 -1.990 6.194 -7.462 1.00 0.61 C ATOM 322 C LYS A 31 -3.341 5.556 -7.140 1.00 0.61 C ATOM 323 O LYS A 31 -4.324 6.275 -6.978 1.00 0.64 O ATOM 324 CB LYS A 31 -1.783 6.716 -8.893 1.00 0.78 C ATOM 325 CG LYS A 31 -0.567 7.656 -8.801 1.00 0.83 C ATOM 326 CD LYS A 31 -0.244 8.505 -10.024 1.00 1.06 C ATOM 327 CE LYS A 31 0.800 9.500 -9.507 1.00 1.15 C ATOM 328 NZ LYS A 31 1.339 10.349 -10.586 1.00 1.46 N ATOM 0 H LYS A 31 -0.457 4.794 -7.801 1.00 0.53 H new ATOM 0 HA LYS A 31 -2.035 7.089 -6.841 1.00 0.61 H new ATOM 0 HB2 LYS A 31 -1.598 5.898 -9.589 1.00 0.78 H new ATOM 0 HB3 LYS A 31 -2.665 7.246 -9.252 1.00 0.78 H new ATOM 0 HG2 LYS A 31 -0.723 8.327 -7.957 1.00 0.83 H new ATOM 0 HG3 LYS A 31 0.310 7.051 -8.570 1.00 0.83 H new ATOM 0 HD2 LYS A 31 0.150 7.899 -10.840 1.00 1.06 H new ATOM 0 HD3 LYS A 31 -1.130 9.014 -10.404 1.00 1.06 H new ATOM 0 HE2 LYS A 31 0.350 10.131 -8.740 1.00 1.15 H new ATOM 0 HE3 LYS A 31 1.616 8.955 -9.033 1.00 1.15 H new ATOM 0 HZ1 LYS A 31 2.041 11.007 -10.192 1.00 1.46 H new ATOM 0 HZ2 LYS A 31 1.791 9.750 -11.306 1.00 1.46 H new ATOM 0 HZ3 LYS A 31 0.565 10.889 -11.022 1.00 1.46 H new ATOM 342 N SER A 32 -3.366 4.246 -6.894 1.00 0.62 N ATOM 343 CA SER A 32 -4.483 3.569 -6.222 1.00 0.63 C ATOM 344 C SER A 32 -4.714 4.104 -4.794 1.00 0.56 C ATOM 345 O SER A 32 -5.869 4.254 -4.384 1.00 0.78 O ATOM 346 CB SER A 32 -4.242 2.051 -6.233 1.00 0.73 C ATOM 347 OG SER A 32 -3.525 1.621 -5.091 1.00 2.40 O ATOM 0 H SER A 32 -2.607 3.617 -7.156 1.00 0.62 H new ATOM 0 HA SER A 32 -5.399 3.784 -6.772 1.00 0.63 H new ATOM 0 HB2 SER A 32 -5.199 1.532 -6.277 1.00 0.73 H new ATOM 0 HB3 SER A 32 -3.690 1.778 -7.132 1.00 0.73 H new ATOM 0 HG SER A 32 -2.605 1.956 -5.137 1.00 2.40 H new ATOM 353 N LEU A 33 -3.630 4.452 -4.077 1.00 0.45 N ATOM 354 CA LEU A 33 -3.623 4.943 -2.688 1.00 0.45 C ATOM 355 C LEU A 33 -3.858 6.457 -2.596 1.00 0.40 C ATOM 356 O LEU A 33 -4.503 6.936 -1.665 1.00 0.47 O ATOM 357 CB LEU A 33 -2.254 4.659 -2.034 1.00 0.52 C ATOM 358 CG LEU A 33 -1.692 3.234 -2.139 1.00 0.39 C ATOM 359 CD1 LEU A 33 -0.183 3.203 -1.896 1.00 0.55 C ATOM 360 CD2 LEU A 33 -2.319 2.288 -1.136 1.00 0.46 C ATOM 0 H LEU A 33 -2.690 4.396 -4.470 1.00 0.45 H new ATOM 0 HA LEU A 33 -4.433 4.422 -2.178 1.00 0.45 H new ATOM 0 HB2 LEU A 33 -1.525 5.340 -2.474 1.00 0.52 H new ATOM 0 HB3 LEU A 33 -2.329 4.912 -0.977 1.00 0.52 H new ATOM 0 HG LEU A 33 -1.928 2.911 -3.153 1.00 0.39 H new ATOM 0 HD11 LEU A 33 0.178 2.178 -1.979 1.00 0.55 H new ATOM 0 HD12 LEU A 33 0.318 3.825 -2.638 1.00 0.55 H new ATOM 0 HD13 LEU A 33 0.033 3.584 -0.898 1.00 0.55 H new ATOM 0 HD21 LEU A 33 -1.886 1.294 -1.253 1.00 0.46 H new ATOM 0 HD22 LEU A 33 -2.128 2.650 -0.126 1.00 0.46 H new ATOM 0 HD23 LEU A 33 -3.394 2.238 -1.306 1.00 0.46 H new ATOM 372 N GLN A 34 -3.315 7.218 -3.550 1.00 0.40 N ATOM 373 CA GLN A 34 -3.459 8.669 -3.612 1.00 0.44 C ATOM 374 C GLN A 34 -4.929 9.074 -3.716 1.00 0.46 C ATOM 375 O GLN A 34 -5.722 8.497 -4.471 1.00 0.54 O ATOM 376 CB GLN A 34 -2.631 9.230 -4.775 1.00 0.60 C ATOM 377 CG GLN A 34 -1.198 9.570 -4.355 1.00 0.87 C ATOM 378 CD GLN A 34 -0.351 10.029 -5.541 1.00 0.85 C ATOM 379 OE1 GLN A 34 -0.852 10.392 -6.598 1.00 1.38 O ATOM 380 NE2 GLN A 34 0.955 10.058 -5.421 1.00 1.00 N ATOM 0 H GLN A 34 -2.755 6.834 -4.311 1.00 0.40 H new ATOM 0 HA GLN A 34 -3.077 9.098 -2.686 1.00 0.44 H new ATOM 0 HB2 GLN A 34 -2.607 8.502 -5.586 1.00 0.60 H new ATOM 0 HB3 GLN A 34 -3.115 10.125 -5.165 1.00 0.60 H new ATOM 0 HG2 GLN A 34 -1.218 10.354 -3.598 1.00 0.87 H new ATOM 0 HG3 GLN A 34 -0.737 8.695 -3.896 1.00 0.87 H new ATOM 0 HE21 GLN A 34 1.394 9.760 -4.550 1.00 1.00 H new ATOM 0 HE22 GLN A 34 1.532 10.378 -6.199 1.00 1.00 H new ATOM 389 N GLY A 35 -5.278 10.074 -2.918 1.00 0.54 N ATOM 390 CA GLY A 35 -6.647 10.582 -2.786 1.00 0.62 C ATOM 391 C GLY A 35 -7.671 9.581 -2.219 1.00 0.64 C ATOM 392 O GLY A 35 -8.852 9.684 -2.555 1.00 0.95 O ATOM 0 H GLY A 35 -4.607 10.569 -2.330 1.00 0.54 H new ATOM 0 HA2 GLY A 35 -6.630 11.462 -2.143 1.00 0.62 H new ATOM 0 HA3 GLY A 35 -6.991 10.911 -3.767 1.00 0.62 H new ATOM 396 N VAL A 36 -7.269 8.588 -1.412 1.00 0.51 N ATOM 397 CA VAL A 36 -8.185 7.679 -0.704 1.00 0.59 C ATOM 398 C VAL A 36 -8.572 8.285 0.643 1.00 0.54 C ATOM 399 O VAL A 36 -7.737 8.812 1.383 1.00 0.47 O ATOM 400 CB VAL A 36 -7.581 6.268 -0.544 1.00 0.67 C ATOM 401 CG1 VAL A 36 -8.419 5.339 0.345 1.00 0.91 C ATOM 402 CG2 VAL A 36 -7.474 5.587 -1.915 1.00 0.86 C ATOM 0 H VAL A 36 -6.285 8.390 -1.230 1.00 0.51 H new ATOM 0 HA VAL A 36 -9.088 7.560 -1.303 1.00 0.59 H new ATOM 0 HB VAL A 36 -6.608 6.419 -0.076 1.00 0.67 H new ATOM 0 HG11 VAL A 36 -7.934 4.365 0.412 1.00 0.91 H new ATOM 0 HG12 VAL A 36 -8.506 5.771 1.342 1.00 0.91 H new ATOM 0 HG13 VAL A 36 -9.413 5.221 -0.087 1.00 0.91 H new ATOM 0 HG21 VAL A 36 -7.047 4.591 -1.794 1.00 0.86 H new ATOM 0 HG22 VAL A 36 -8.466 5.505 -2.359 1.00 0.86 H new ATOM 0 HG23 VAL A 36 -6.833 6.180 -2.567 1.00 0.86 H new ATOM 412 N ALA A 37 -9.853 8.190 0.972 1.00 0.68 N ATOM 413 CA ALA A 37 -10.386 8.597 2.271 1.00 0.73 C ATOM 414 C ALA A 37 -9.752 7.779 3.417 1.00 0.64 C ATOM 415 O ALA A 37 -9.884 6.552 3.463 1.00 0.75 O ATOM 416 CB ALA A 37 -11.915 8.475 2.240 1.00 0.96 C ATOM 0 H ALA A 37 -10.563 7.824 0.338 1.00 0.68 H new ATOM 0 HA ALA A 37 -10.126 9.637 2.466 1.00 0.73 H new ATOM 0 HB1 ALA A 37 -12.324 8.776 3.205 1.00 0.96 H new ATOM 0 HB2 ALA A 37 -12.316 9.121 1.459 1.00 0.96 H new ATOM 0 HB3 ALA A 37 -12.193 7.441 2.035 1.00 0.96 H new ATOM 422 N GLY A 38 -9.061 8.456 4.340 1.00 0.56 N ATOM 423 CA GLY A 38 -8.385 7.869 5.503 1.00 0.50 C ATOM 424 C GLY A 38 -6.867 7.710 5.352 1.00 0.36 C ATOM 425 O GLY A 38 -6.217 7.189 6.261 1.00 0.32 O ATOM 0 H GLY A 38 -8.953 9.469 4.296 1.00 0.56 H new ATOM 0 HA2 GLY A 38 -8.586 8.491 6.375 1.00 0.50 H new ATOM 0 HA3 GLY A 38 -8.821 6.890 5.703 1.00 0.50 H new ATOM 429 N VAL A 39 -6.277 8.152 4.235 1.00 0.38 N ATOM 430 CA VAL A 39 -4.821 8.192 4.010 1.00 0.38 C ATOM 431 C VAL A 39 -4.267 9.582 4.335 1.00 0.47 C ATOM 432 O VAL A 39 -4.916 10.593 4.052 1.00 0.71 O ATOM 433 CB VAL A 39 -4.479 7.751 2.566 1.00 0.45 C ATOM 434 CG1 VAL A 39 -4.455 8.872 1.519 1.00 1.54 C ATOM 435 CG2 VAL A 39 -3.134 7.019 2.523 1.00 1.47 C ATOM 0 H VAL A 39 -6.811 8.502 3.439 1.00 0.38 H new ATOM 0 HA VAL A 39 -4.340 7.484 4.685 1.00 0.38 H new ATOM 0 HB VAL A 39 -5.303 7.092 2.294 1.00 0.45 H new ATOM 0 HG11 VAL A 39 -4.205 8.454 0.544 1.00 1.54 H new ATOM 0 HG12 VAL A 39 -5.436 9.346 1.470 1.00 1.54 H new ATOM 0 HG13 VAL A 39 -3.707 9.614 1.798 1.00 1.54 H new ATOM 0 HG21 VAL A 39 -2.916 6.719 1.498 1.00 1.47 H new ATOM 0 HG22 VAL A 39 -2.347 7.682 2.883 1.00 1.47 H new ATOM 0 HG23 VAL A 39 -3.181 6.134 3.158 1.00 1.47 H new ATOM 445 N GLN A 40 -3.070 9.649 4.918 1.00 0.37 N ATOM 446 CA GLN A 40 -2.285 10.871 5.060 1.00 0.39 C ATOM 447 C GLN A 40 -1.050 10.881 4.155 1.00 0.38 C ATOM 448 O GLN A 40 -0.824 11.858 3.445 1.00 0.49 O ATOM 449 CB GLN A 40 -1.908 11.033 6.534 1.00 0.51 C ATOM 450 CG GLN A 40 -3.085 11.489 7.401 1.00 0.69 C ATOM 451 CD GLN A 40 -3.716 12.819 6.995 1.00 2.05 C ATOM 452 OE1 GLN A 40 -3.102 13.686 6.380 1.00 3.09 O ATOM 453 NE2 GLN A 40 -4.969 13.034 7.325 1.00 2.75 N ATOM 0 H GLN A 40 -2.609 8.831 5.315 1.00 0.37 H new ATOM 0 HA GLN A 40 -2.888 11.720 4.738 1.00 0.39 H new ATOM 0 HB2 GLN A 40 -1.529 10.084 6.914 1.00 0.51 H new ATOM 0 HB3 GLN A 40 -1.098 11.757 6.620 1.00 0.51 H new ATOM 0 HG2 GLN A 40 -3.855 10.717 7.375 1.00 0.69 H new ATOM 0 HG3 GLN A 40 -2.746 11.567 8.434 1.00 0.69 H new ATOM 0 HE21 GLN A 40 -5.491 12.322 7.836 1.00 2.75 H new ATOM 0 HE22 GLN A 40 -5.420 13.913 7.070 1.00 2.75 H new ATOM 462 N ASP A 41 -0.282 9.791 4.118 1.00 0.33 N ATOM 463 CA ASP A 41 0.935 9.664 3.312 1.00 0.34 C ATOM 464 C ASP A 41 1.172 8.214 2.882 1.00 0.28 C ATOM 465 O ASP A 41 0.581 7.267 3.403 1.00 0.26 O ATOM 466 CB ASP A 41 2.164 10.170 4.090 1.00 0.40 C ATOM 467 CG ASP A 41 2.339 11.685 4.029 1.00 0.71 C ATOM 468 OD1 ASP A 41 2.391 12.222 2.893 1.00 2.05 O ATOM 469 OD2 ASP A 41 2.534 12.320 5.094 1.00 1.82 O ATOM 0 H ASP A 41 -0.493 8.953 4.659 1.00 0.33 H new ATOM 0 HA ASP A 41 0.794 10.276 2.421 1.00 0.34 H new ATOM 0 HB2 ASP A 41 2.076 9.864 5.132 1.00 0.40 H new ATOM 0 HB3 ASP A 41 3.059 9.692 3.692 1.00 0.40 H new ATOM 474 N VAL A 42 2.074 8.053 1.923 1.00 0.29 N ATOM 475 CA VAL A 42 2.494 6.780 1.332 1.00 0.30 C ATOM 476 C VAL A 42 3.967 6.817 0.921 1.00 0.31 C ATOM 477 O VAL A 42 4.532 7.879 0.638 1.00 0.35 O ATOM 478 CB VAL A 42 1.634 6.420 0.104 1.00 0.42 C ATOM 479 CG1 VAL A 42 0.192 6.080 0.485 1.00 0.84 C ATOM 480 CG2 VAL A 42 1.586 7.514 -0.971 1.00 0.60 C ATOM 0 H VAL A 42 2.562 8.848 1.511 1.00 0.29 H new ATOM 0 HA VAL A 42 2.357 6.017 2.098 1.00 0.30 H new ATOM 0 HB VAL A 42 2.136 5.547 -0.312 1.00 0.42 H new ATOM 0 HG11 VAL A 42 -0.373 5.833 -0.414 1.00 0.84 H new ATOM 0 HG12 VAL A 42 0.186 5.226 1.163 1.00 0.84 H new ATOM 0 HG13 VAL A 42 -0.266 6.938 0.978 1.00 0.84 H new ATOM 0 HG21 VAL A 42 0.961 7.182 -1.800 1.00 0.60 H new ATOM 0 HG22 VAL A 42 1.168 8.426 -0.544 1.00 0.60 H new ATOM 0 HG23 VAL A 42 2.595 7.712 -1.334 1.00 0.60 H new ATOM 490 N GLU A 43 4.596 5.649 0.843 1.00 0.33 N ATOM 491 CA GLU A 43 5.906 5.435 0.258 1.00 0.40 C ATOM 492 C GLU A 43 5.954 4.038 -0.380 1.00 0.46 C ATOM 493 O GLU A 43 5.508 3.071 0.228 1.00 0.66 O ATOM 494 CB GLU A 43 6.914 5.558 1.387 1.00 0.48 C ATOM 495 CG GLU A 43 8.330 5.536 0.856 1.00 0.60 C ATOM 496 CD GLU A 43 8.727 6.868 0.222 1.00 1.79 C ATOM 497 OE1 GLU A 43 9.031 7.825 0.975 1.00 2.38 O ATOM 498 OE2 GLU A 43 8.722 6.961 -1.032 1.00 3.22 O ATOM 0 H GLU A 43 4.183 4.789 1.204 1.00 0.33 H new ATOM 0 HA GLU A 43 6.128 6.162 -0.523 1.00 0.40 H new ATOM 0 HB2 GLU A 43 6.741 6.485 1.934 1.00 0.48 H new ATOM 0 HB3 GLU A 43 6.775 4.740 2.094 1.00 0.48 H new ATOM 0 HG2 GLU A 43 9.018 5.303 1.669 1.00 0.60 H new ATOM 0 HG3 GLU A 43 8.427 4.740 0.118 1.00 0.60 H new ATOM 505 N VAL A 44 6.516 3.889 -1.578 1.00 0.32 N ATOM 506 CA VAL A 44 6.766 2.580 -2.189 1.00 0.30 C ATOM 507 C VAL A 44 8.267 2.317 -2.268 1.00 0.37 C ATOM 508 O VAL A 44 9.049 3.221 -2.571 1.00 0.54 O ATOM 509 CB VAL A 44 6.048 2.489 -3.536 1.00 0.42 C ATOM 510 CG1 VAL A 44 6.699 3.307 -4.637 1.00 1.57 C ATOM 511 CG2 VAL A 44 5.966 1.052 -4.016 1.00 1.96 C ATOM 0 H VAL A 44 6.813 4.675 -2.157 1.00 0.32 H new ATOM 0 HA VAL A 44 6.353 1.785 -1.568 1.00 0.30 H new ATOM 0 HB VAL A 44 5.056 2.899 -3.347 1.00 0.42 H new ATOM 0 HG11 VAL A 44 6.132 3.191 -5.561 1.00 1.57 H new ATOM 0 HG12 VAL A 44 6.713 4.358 -4.350 1.00 1.57 H new ATOM 0 HG13 VAL A 44 7.721 2.960 -4.792 1.00 1.57 H new ATOM 0 HG21 VAL A 44 5.451 1.018 -4.976 1.00 1.96 H new ATOM 0 HG22 VAL A 44 6.972 0.648 -4.130 1.00 1.96 H new ATOM 0 HG23 VAL A 44 5.416 0.456 -3.288 1.00 1.96 H new ATOM 521 N HIS A 45 8.666 1.080 -1.990 1.00 0.36 N ATOM 522 CA HIS A 45 10.025 0.580 -2.149 1.00 0.36 C ATOM 523 C HIS A 45 10.042 -0.616 -3.113 1.00 0.36 C ATOM 524 O HIS A 45 9.990 -1.779 -2.708 1.00 0.41 O ATOM 525 CB HIS A 45 10.619 0.225 -0.777 1.00 0.45 C ATOM 526 CG HIS A 45 10.968 1.392 0.119 1.00 0.49 C ATOM 527 ND1 HIS A 45 12.242 1.809 0.427 1.00 0.61 N ATOM 528 CD2 HIS A 45 10.113 2.158 0.867 1.00 0.53 C ATOM 529 CE1 HIS A 45 12.166 2.796 1.331 1.00 0.72 C ATOM 530 NE2 HIS A 45 10.880 3.054 1.633 1.00 0.67 N ATOM 0 H HIS A 45 8.025 0.371 -1.634 1.00 0.36 H new ATOM 0 HA HIS A 45 10.650 1.358 -2.586 1.00 0.36 H new ATOM 0 HB2 HIS A 45 9.908 -0.412 -0.250 1.00 0.45 H new ATOM 0 HB3 HIS A 45 11.520 -0.367 -0.936 1.00 0.45 H new ATOM 0 HD2 HIS A 45 9.035 2.086 0.868 1.00 0.53 H new ATOM 0 HE1 HIS A 45 13.015 3.310 1.756 1.00 0.72 H new ATOM 0 HE2 HIS A 45 10.532 3.757 2.285 1.00 0.67 H new ATOM 538 N LEU A 46 10.124 -0.321 -4.412 1.00 0.36 N ATOM 539 CA LEU A 46 10.242 -1.295 -5.502 1.00 0.37 C ATOM 540 C LEU A 46 11.436 -2.243 -5.319 1.00 0.34 C ATOM 541 O LEU A 46 11.342 -3.435 -5.610 1.00 0.41 O ATOM 542 CB LEU A 46 10.379 -0.476 -6.798 1.00 0.46 C ATOM 543 CG LEU A 46 10.225 -1.206 -8.147 1.00 0.61 C ATOM 544 CD1 LEU A 46 11.524 -1.843 -8.631 1.00 1.44 C ATOM 545 CD2 LEU A 46 9.108 -2.253 -8.147 1.00 0.98 C ATOM 0 H LEU A 46 10.110 0.642 -4.748 1.00 0.36 H new ATOM 0 HA LEU A 46 9.364 -1.941 -5.525 1.00 0.37 H new ATOM 0 HB2 LEU A 46 9.637 0.322 -6.766 1.00 0.46 H new ATOM 0 HB3 LEU A 46 11.360 -0.001 -6.788 1.00 0.46 H new ATOM 0 HG LEU A 46 9.947 -0.418 -8.847 1.00 0.61 H new ATOM 0 HD11 LEU A 46 11.351 -2.342 -9.585 1.00 1.44 H new ATOM 0 HD12 LEU A 46 12.283 -1.071 -8.757 1.00 1.44 H new ATOM 0 HD13 LEU A 46 11.867 -2.572 -7.897 1.00 1.44 H new ATOM 0 HD21 LEU A 46 9.055 -2.728 -9.127 1.00 0.98 H new ATOM 0 HD22 LEU A 46 9.317 -3.008 -7.389 1.00 0.98 H new ATOM 0 HD23 LEU A 46 8.156 -1.770 -7.926 1.00 0.98 H new ATOM 557 N GLU A 47 12.530 -1.735 -4.756 1.00 0.36 N ATOM 558 CA GLU A 47 13.746 -2.512 -4.461 1.00 0.44 C ATOM 559 C GLU A 47 13.541 -3.594 -3.375 1.00 0.49 C ATOM 560 O GLU A 47 14.359 -4.506 -3.261 1.00 0.72 O ATOM 561 CB GLU A 47 14.923 -1.569 -4.131 1.00 0.58 C ATOM 562 CG GLU A 47 15.315 -0.687 -5.333 1.00 0.88 C ATOM 563 CD GLU A 47 16.665 0.017 -5.136 1.00 1.85 C ATOM 564 OE1 GLU A 47 17.720 -0.652 -5.259 1.00 3.34 O ATOM 565 OE2 GLU A 47 16.708 1.243 -4.867 1.00 2.11 O ATOM 0 H GLU A 47 12.604 -0.755 -4.485 1.00 0.36 H new ATOM 0 HA GLU A 47 13.994 -3.067 -5.366 1.00 0.44 H new ATOM 0 HB2 GLU A 47 14.652 -0.933 -3.288 1.00 0.58 H new ATOM 0 HB3 GLU A 47 15.784 -2.160 -3.820 1.00 0.58 H new ATOM 0 HG2 GLU A 47 15.359 -1.303 -6.231 1.00 0.88 H new ATOM 0 HG3 GLU A 47 14.540 0.062 -5.497 1.00 0.88 H new ATOM 572 N ASP A 48 12.424 -3.575 -2.633 1.00 0.39 N ATOM 573 CA ASP A 48 11.975 -4.671 -1.748 1.00 0.43 C ATOM 574 C ASP A 48 10.645 -5.322 -2.183 1.00 0.38 C ATOM 575 O ASP A 48 10.162 -6.261 -1.544 1.00 0.49 O ATOM 576 CB ASP A 48 11.844 -4.149 -0.309 1.00 0.57 C ATOM 577 CG ASP A 48 12.097 -5.259 0.712 1.00 1.56 C ATOM 578 OD1 ASP A 48 13.170 -5.905 0.648 1.00 2.57 O ATOM 579 OD2 ASP A 48 11.236 -5.477 1.592 1.00 2.35 O ATOM 0 H ASP A 48 11.788 -2.778 -2.629 1.00 0.39 H new ATOM 0 HA ASP A 48 12.735 -5.450 -1.814 1.00 0.43 H new ATOM 0 HB2 ASP A 48 12.553 -3.337 -0.149 1.00 0.57 H new ATOM 0 HB3 ASP A 48 10.847 -3.735 -0.160 1.00 0.57 H new ATOM 584 N GLN A 49 10.026 -4.773 -3.235 1.00 0.26 N ATOM 585 CA GLN A 49 8.597 -4.877 -3.550 1.00 0.23 C ATOM 586 C GLN A 49 7.685 -4.557 -2.344 1.00 0.24 C ATOM 587 O GLN A 49 6.662 -5.211 -2.138 1.00 0.36 O ATOM 588 CB GLN A 49 8.247 -6.206 -4.235 1.00 0.38 C ATOM 589 CG GLN A 49 9.191 -6.655 -5.365 1.00 0.38 C ATOM 590 CD GLN A 49 10.353 -7.513 -4.879 1.00 1.20 C ATOM 591 OE1 GLN A 49 11.510 -7.100 -4.856 1.00 2.29 O ATOM 592 NE2 GLN A 49 10.081 -8.740 -4.491 1.00 2.84 N ATOM 0 H GLN A 49 10.533 -4.217 -3.923 1.00 0.26 H new ATOM 0 HA GLN A 49 8.389 -4.095 -4.281 1.00 0.23 H new ATOM 0 HB2 GLN A 49 8.225 -6.988 -3.476 1.00 0.38 H new ATOM 0 HB3 GLN A 49 7.239 -6.127 -4.641 1.00 0.38 H new ATOM 0 HG2 GLN A 49 8.619 -7.216 -6.104 1.00 0.38 H new ATOM 0 HG3 GLN A 49 9.586 -5.773 -5.870 1.00 0.38 H new ATOM 0 HE21 GLN A 49 9.120 -9.080 -4.511 1.00 2.84 H new ATOM 0 HE22 GLN A 49 10.832 -9.352 -4.170 1.00 2.84 H new ATOM 601 N MET A 50 8.057 -3.564 -1.528 1.00 0.28 N ATOM 602 CA MET A 50 7.309 -3.137 -0.338 1.00 0.25 C ATOM 603 C MET A 50 6.526 -1.828 -0.555 1.00 0.23 C ATOM 604 O MET A 50 6.903 -0.992 -1.373 1.00 0.28 O ATOM 605 CB MET A 50 8.276 -3.065 0.853 1.00 0.32 C ATOM 606 CG MET A 50 7.627 -2.647 2.179 1.00 0.38 C ATOM 607 SD MET A 50 8.559 -3.164 3.635 1.00 0.95 S ATOM 608 CE MET A 50 8.001 -4.885 3.678 1.00 0.71 C ATOM 0 H MET A 50 8.907 -3.021 -1.680 1.00 0.28 H new ATOM 0 HA MET A 50 6.538 -3.877 -0.124 1.00 0.25 H new ATOM 0 HB2 MET A 50 8.743 -4.041 0.984 1.00 0.32 H new ATOM 0 HB3 MET A 50 9.072 -2.360 0.615 1.00 0.32 H new ATOM 0 HG2 MET A 50 7.518 -1.563 2.194 1.00 0.38 H new ATOM 0 HG3 MET A 50 6.624 -3.069 2.232 1.00 0.38 H new ATOM 0 HE1 MET A 50 8.336 -5.353 4.604 1.00 0.71 H new ATOM 0 HE2 MET A 50 6.913 -4.916 3.629 1.00 0.71 H new ATOM 0 HE3 MET A 50 8.418 -5.424 2.827 1.00 0.71 H new ATOM 618 N VAL A 51 5.447 -1.626 0.205 1.00 0.22 N ATOM 619 CA VAL A 51 4.599 -0.430 0.213 1.00 0.24 C ATOM 620 C VAL A 51 4.252 -0.035 1.652 1.00 0.23 C ATOM 621 O VAL A 51 3.851 -0.879 2.452 1.00 0.30 O ATOM 622 CB VAL A 51 3.285 -0.640 -0.571 1.00 0.32 C ATOM 623 CG1 VAL A 51 2.817 0.721 -1.083 1.00 0.56 C ATOM 624 CG2 VAL A 51 3.398 -1.567 -1.780 1.00 0.63 C ATOM 0 H VAL A 51 5.123 -2.331 0.868 1.00 0.22 H new ATOM 0 HA VAL A 51 5.168 0.362 -0.273 1.00 0.24 H new ATOM 0 HB VAL A 51 2.591 -1.112 0.124 1.00 0.32 H new ATOM 0 HG11 VAL A 51 1.889 0.600 -1.641 1.00 0.56 H new ATOM 0 HG12 VAL A 51 2.648 1.389 -0.238 1.00 0.56 H new ATOM 0 HG13 VAL A 51 3.580 1.146 -1.735 1.00 0.56 H new ATOM 0 HG21 VAL A 51 2.426 -1.652 -2.265 1.00 0.63 H new ATOM 0 HG22 VAL A 51 4.121 -1.158 -2.486 1.00 0.63 H new ATOM 0 HG23 VAL A 51 3.728 -2.553 -1.453 1.00 0.63 H new ATOM 634 N LEU A 52 4.376 1.253 1.963 1.00 0.35 N ATOM 635 CA LEU A 52 3.989 1.884 3.219 1.00 0.35 C ATOM 636 C LEU A 52 2.773 2.772 2.985 1.00 0.30 C ATOM 637 O LEU A 52 2.722 3.546 2.027 1.00 0.29 O ATOM 638 CB LEU A 52 5.119 2.756 3.790 1.00 0.37 C ATOM 639 CG LEU A 52 6.396 2.027 4.251 1.00 0.40 C ATOM 640 CD1 LEU A 52 7.276 1.549 3.092 1.00 0.91 C ATOM 641 CD2 LEU A 52 7.244 2.990 5.080 1.00 0.91 C ATOM 0 H LEU A 52 4.773 1.923 1.304 1.00 0.35 H new ATOM 0 HA LEU A 52 3.765 1.090 3.931 1.00 0.35 H new ATOM 0 HB2 LEU A 52 5.400 3.486 3.031 1.00 0.37 H new ATOM 0 HB3 LEU A 52 4.722 3.314 4.638 1.00 0.37 H new ATOM 0 HG LEU A 52 6.065 1.156 4.816 1.00 0.40 H new ATOM 0 HD11 LEU A 52 8.157 1.045 3.488 1.00 0.91 H new ATOM 0 HD12 LEU A 52 6.711 0.856 2.468 1.00 0.91 H new ATOM 0 HD13 LEU A 52 7.587 2.406 2.494 1.00 0.91 H new ATOM 0 HD21 LEU A 52 8.151 2.484 5.411 1.00 0.91 H new ATOM 0 HD22 LEU A 52 7.512 3.854 4.472 1.00 0.91 H new ATOM 0 HD23 LEU A 52 6.675 3.320 5.949 1.00 0.91 H new ATOM 653 N VAL A 53 1.815 2.683 3.900 1.00 0.28 N ATOM 654 CA VAL A 53 0.568 3.439 3.876 1.00 0.27 C ATOM 655 C VAL A 53 0.350 4.008 5.274 1.00 0.22 C ATOM 656 O VAL A 53 0.104 3.268 6.226 1.00 0.21 O ATOM 657 CB VAL A 53 -0.597 2.547 3.397 1.00 0.32 C ATOM 658 CG1 VAL A 53 -1.860 3.390 3.188 1.00 0.34 C ATOM 659 CG2 VAL A 53 -0.299 1.828 2.073 1.00 0.37 C ATOM 0 H VAL A 53 1.887 2.062 4.706 1.00 0.28 H new ATOM 0 HA VAL A 53 0.617 4.264 3.165 1.00 0.27 H new ATOM 0 HB VAL A 53 -0.739 1.799 4.177 1.00 0.32 H new ATOM 0 HG11 VAL A 53 -2.674 2.748 2.850 1.00 0.34 H new ATOM 0 HG12 VAL A 53 -2.139 3.866 4.128 1.00 0.34 H new ATOM 0 HG13 VAL A 53 -1.666 4.156 2.437 1.00 0.34 H new ATOM 0 HG21 VAL A 53 -1.156 1.217 1.790 1.00 0.37 H new ATOM 0 HG22 VAL A 53 -0.106 2.565 1.294 1.00 0.37 H new ATOM 0 HG23 VAL A 53 0.577 1.190 2.194 1.00 0.37 H new ATOM 669 N HIS A 54 0.482 5.324 5.406 1.00 0.21 N ATOM 670 CA HIS A 54 0.210 6.075 6.630 1.00 0.21 C ATOM 671 C HIS A 54 -1.290 6.426 6.669 1.00 0.23 C ATOM 672 O HIS A 54 -1.750 7.326 5.961 1.00 0.25 O ATOM 673 CB HIS A 54 1.137 7.302 6.693 1.00 0.23 C ATOM 674 CG HIS A 54 2.613 6.958 6.688 1.00 0.33 C ATOM 675 ND1 HIS A 54 3.451 6.965 7.781 1.00 0.59 N ATOM 676 CD2 HIS A 54 3.372 6.551 5.619 1.00 0.37 C ATOM 677 CE1 HIS A 54 4.673 6.580 7.382 1.00 0.74 C ATOM 678 NE2 HIS A 54 4.680 6.310 6.064 1.00 0.61 N ATOM 0 H HIS A 54 0.792 5.919 4.638 1.00 0.21 H new ATOM 0 HA HIS A 54 0.424 5.485 7.521 1.00 0.21 H new ATOM 0 HB2 HIS A 54 0.922 7.951 5.844 1.00 0.23 H new ATOM 0 HB3 HIS A 54 0.910 7.871 7.595 1.00 0.23 H new ATOM 0 HD2 HIS A 54 3.020 6.436 4.604 1.00 0.37 H new ATOM 0 HE1 HIS A 54 5.533 6.498 8.030 1.00 0.74 H new ATOM 0 HE2 HIS A 54 5.472 5.995 5.504 1.00 0.61 H new ATOM 686 N THR A 55 -2.077 5.655 7.428 1.00 0.24 N ATOM 687 CA THR A 55 -3.553 5.647 7.355 1.00 0.25 C ATOM 688 C THR A 55 -4.221 5.274 8.683 1.00 0.26 C ATOM 689 O THR A 55 -3.655 4.540 9.497 1.00 0.26 O ATOM 690 CB THR A 55 -4.020 4.675 6.255 1.00 0.26 C ATOM 691 OG1 THR A 55 -5.420 4.656 6.152 1.00 0.31 O ATOM 692 CG2 THR A 55 -3.602 3.216 6.458 1.00 0.26 C ATOM 0 H THR A 55 -1.706 5.007 8.123 1.00 0.24 H new ATOM 0 HA THR A 55 -3.858 6.666 7.118 1.00 0.25 H new ATOM 0 HB THR A 55 -3.533 5.063 5.360 1.00 0.26 H new ATOM 0 HG1 THR A 55 -5.756 5.575 6.093 1.00 0.31 H new ATOM 0 HG21 THR A 55 -3.978 2.612 5.632 1.00 0.26 H new ATOM 0 HG22 THR A 55 -2.514 3.150 6.490 1.00 0.26 H new ATOM 0 HG23 THR A 55 -4.016 2.846 7.396 1.00 0.26 H new ATOM 700 N THR A 56 -5.455 5.741 8.886 1.00 0.29 N ATOM 701 CA THR A 56 -6.344 5.274 9.970 1.00 0.29 C ATOM 702 C THR A 56 -7.064 3.945 9.698 1.00 0.32 C ATOM 703 O THR A 56 -7.635 3.382 10.630 1.00 0.43 O ATOM 704 CB THR A 56 -7.385 6.341 10.349 1.00 0.36 C ATOM 705 OG1 THR A 56 -8.263 6.613 9.278 1.00 0.45 O ATOM 706 CG2 THR A 56 -6.730 7.653 10.746 1.00 0.42 C ATOM 0 H THR A 56 -5.876 6.462 8.300 1.00 0.29 H new ATOM 0 HA THR A 56 -5.663 5.093 10.802 1.00 0.29 H new ATOM 0 HB THR A 56 -7.937 5.929 11.194 1.00 0.36 H new ATOM 0 HG1 THR A 56 -8.913 7.294 9.552 1.00 0.45 H new ATOM 0 HG21 THR A 56 -7.500 8.380 11.006 1.00 0.42 H new ATOM 0 HG22 THR A 56 -6.080 7.490 11.605 1.00 0.42 H new ATOM 0 HG23 THR A 56 -6.140 8.032 9.912 1.00 0.42 H new ATOM 714 N LEU A 57 -7.043 3.428 8.462 1.00 0.30 N ATOM 715 CA LEU A 57 -7.810 2.249 8.014 1.00 0.32 C ATOM 716 C LEU A 57 -7.367 0.913 8.656 1.00 0.35 C ATOM 717 O LEU A 57 -6.257 0.830 9.204 1.00 0.53 O ATOM 718 CB LEU A 57 -7.746 2.184 6.469 1.00 0.32 C ATOM 719 CG LEU A 57 -8.449 3.352 5.746 1.00 0.34 C ATOM 720 CD1 LEU A 57 -8.319 3.166 4.235 1.00 0.41 C ATOM 721 CD2 LEU A 57 -9.934 3.454 6.091 1.00 0.44 C ATOM 0 H LEU A 57 -6.473 3.830 7.718 1.00 0.30 H new ATOM 0 HA LEU A 57 -8.838 2.379 8.353 1.00 0.32 H new ATOM 0 HB2 LEU A 57 -6.700 2.161 6.163 1.00 0.32 H new ATOM 0 HB3 LEU A 57 -8.195 1.247 6.139 1.00 0.32 H new ATOM 0 HG LEU A 57 -7.962 4.269 6.079 1.00 0.34 H new ATOM 0 HD11 LEU A 57 -8.815 3.990 3.723 1.00 0.41 H new ATOM 0 HD12 LEU A 57 -7.264 3.150 3.960 1.00 0.41 H new ATOM 0 HD13 LEU A 57 -8.785 2.225 3.943 1.00 0.41 H new ATOM 0 HD21 LEU A 57 -10.376 4.293 5.553 1.00 0.44 H new ATOM 0 HD22 LEU A 57 -10.439 2.532 5.802 1.00 0.44 H new ATOM 0 HD23 LEU A 57 -10.048 3.610 7.164 1.00 0.44 H new ATOM 733 N PRO A 58 -8.207 -0.143 8.592 1.00 0.31 N ATOM 734 CA PRO A 58 -7.885 -1.487 9.074 1.00 0.36 C ATOM 735 C PRO A 58 -7.052 -2.236 8.028 1.00 0.32 C ATOM 736 O PRO A 58 -7.347 -2.136 6.835 1.00 0.28 O ATOM 737 CB PRO A 58 -9.239 -2.179 9.328 1.00 0.46 C ATOM 738 CG PRO A 58 -10.302 -1.108 9.062 1.00 0.48 C ATOM 739 CD PRO A 58 -9.571 -0.203 8.082 1.00 0.36 C ATOM 0 HA PRO A 58 -7.288 -1.466 9.986 1.00 0.36 H new ATOM 0 HB2 PRO A 58 -9.372 -3.036 8.668 1.00 0.46 H new ATOM 0 HB3 PRO A 58 -9.304 -2.551 10.350 1.00 0.46 H new ATOM 0 HG2 PRO A 58 -11.212 -1.529 8.634 1.00 0.48 H new ATOM 0 HG3 PRO A 58 -10.592 -0.581 9.971 1.00 0.48 H new ATOM 0 HD2 PRO A 58 -9.599 -0.608 7.070 1.00 0.36 H new ATOM 0 HD3 PRO A 58 -10.024 0.788 8.042 1.00 0.36 H new ATOM 747 N SER A 59 -6.041 -3.020 8.414 1.00 0.37 N ATOM 748 CA SER A 59 -5.147 -3.692 7.445 1.00 0.38 C ATOM 749 C SER A 59 -5.881 -4.624 6.469 1.00 0.29 C ATOM 750 O SER A 59 -5.450 -4.751 5.324 1.00 0.34 O ATOM 751 CB SER A 59 -3.971 -4.434 8.109 1.00 0.53 C ATOM 752 OG SER A 59 -3.996 -4.367 9.529 1.00 0.76 O ATOM 0 H SER A 59 -5.815 -3.210 9.390 1.00 0.37 H new ATOM 0 HA SER A 59 -4.734 -2.870 6.861 1.00 0.38 H new ATOM 0 HB2 SER A 59 -3.989 -5.479 7.801 1.00 0.53 H new ATOM 0 HB3 SER A 59 -3.033 -4.011 7.748 1.00 0.53 H new ATOM 0 HG SER A 59 -3.229 -4.856 9.893 1.00 0.76 H new ATOM 758 N GLN A 60 -7.028 -5.192 6.856 1.00 0.30 N ATOM 759 CA GLN A 60 -7.911 -5.958 5.963 1.00 0.39 C ATOM 760 C GLN A 60 -8.408 -5.112 4.775 1.00 0.40 C ATOM 761 O GLN A 60 -8.540 -5.614 3.657 1.00 0.57 O ATOM 762 CB GLN A 60 -9.149 -6.489 6.714 1.00 0.58 C ATOM 763 CG GLN A 60 -8.901 -7.078 8.108 1.00 0.63 C ATOM 764 CD GLN A 60 -9.061 -6.051 9.203 1.00 1.29 C ATOM 765 OE1 GLN A 60 -8.223 -5.186 9.422 1.00 2.46 O ATOM 766 NE2 GLN A 60 -10.136 -6.099 9.931 1.00 2.09 N ATOM 0 H GLN A 60 -7.376 -5.133 7.813 1.00 0.30 H new ATOM 0 HA GLN A 60 -7.310 -6.789 5.593 1.00 0.39 H new ATOM 0 HB2 GLN A 60 -9.866 -5.673 6.810 1.00 0.58 H new ATOM 0 HB3 GLN A 60 -9.619 -7.256 6.098 1.00 0.58 H new ATOM 0 HG2 GLN A 60 -9.595 -7.901 8.281 1.00 0.63 H new ATOM 0 HG3 GLN A 60 -7.895 -7.496 8.149 1.00 0.63 H new ATOM 0 HE21 GLN A 60 -10.839 -6.817 9.755 1.00 2.09 H new ATOM 0 HE22 GLN A 60 -10.277 -5.419 10.678 1.00 2.09 H new ATOM 775 N GLU A 61 -8.673 -3.824 5.013 1.00 0.32 N ATOM 776 CA GLU A 61 -9.181 -2.884 4.019 1.00 0.33 C ATOM 777 C GLU A 61 -8.061 -2.408 3.091 1.00 0.33 C ATOM 778 O GLU A 61 -8.244 -2.376 1.873 1.00 0.41 O ATOM 779 CB GLU A 61 -9.834 -1.708 4.760 1.00 0.40 C ATOM 780 CG GLU A 61 -10.734 -0.884 3.846 1.00 0.77 C ATOM 781 CD GLU A 61 -11.566 0.185 4.565 1.00 1.31 C ATOM 782 OE1 GLU A 61 -11.923 0.018 5.754 1.00 2.28 O ATOM 783 OE2 GLU A 61 -11.975 1.163 3.890 1.00 2.36 O ATOM 0 H GLU A 61 -8.535 -3.398 5.929 1.00 0.32 H new ATOM 0 HA GLU A 61 -9.922 -3.374 3.388 1.00 0.33 H new ATOM 0 HB2 GLU A 61 -10.419 -2.088 5.598 1.00 0.40 H new ATOM 0 HB3 GLU A 61 -9.058 -1.067 5.178 1.00 0.40 H new ATOM 0 HG2 GLU A 61 -10.116 -0.398 3.091 1.00 0.77 H new ATOM 0 HG3 GLU A 61 -11.409 -1.558 3.319 1.00 0.77 H new ATOM 790 N VAL A 62 -6.881 -2.110 3.651 1.00 0.28 N ATOM 791 CA VAL A 62 -5.690 -1.700 2.914 1.00 0.32 C ATOM 792 C VAL A 62 -5.186 -2.843 2.039 1.00 0.29 C ATOM 793 O VAL A 62 -4.861 -2.600 0.882 1.00 0.31 O ATOM 794 CB VAL A 62 -4.564 -1.229 3.858 1.00 0.35 C ATOM 795 CG1 VAL A 62 -3.557 -0.385 3.076 1.00 0.42 C ATOM 796 CG2 VAL A 62 -5.031 -0.372 5.037 1.00 0.43 C ATOM 0 H VAL A 62 -6.730 -2.150 4.659 1.00 0.28 H new ATOM 0 HA VAL A 62 -5.974 -0.858 2.283 1.00 0.32 H new ATOM 0 HB VAL A 62 -4.136 -2.147 4.260 1.00 0.35 H new ATOM 0 HG11 VAL A 62 -2.763 -0.054 3.745 1.00 0.42 H new ATOM 0 HG12 VAL A 62 -3.128 -0.983 2.272 1.00 0.42 H new ATOM 0 HG13 VAL A 62 -4.061 0.484 2.653 1.00 0.42 H new ATOM 0 HG21 VAL A 62 -4.171 -0.089 5.644 1.00 0.43 H new ATOM 0 HG22 VAL A 62 -5.522 0.526 4.662 1.00 0.43 H new ATOM 0 HG23 VAL A 62 -5.733 -0.942 5.646 1.00 0.43 H new ATOM 806 N GLN A 63 -5.202 -4.093 2.525 1.00 0.27 N ATOM 807 CA GLN A 63 -4.887 -5.267 1.705 1.00 0.28 C ATOM 808 C GLN A 63 -5.751 -5.298 0.444 1.00 0.34 C ATOM 809 O GLN A 63 -5.208 -5.481 -0.636 1.00 0.39 O ATOM 810 CB GLN A 63 -5.061 -6.574 2.507 1.00 0.28 C ATOM 811 CG GLN A 63 -4.721 -7.801 1.638 1.00 0.40 C ATOM 812 CD GLN A 63 -4.918 -9.152 2.317 1.00 0.59 C ATOM 813 OE1 GLN A 63 -5.388 -9.284 3.442 1.00 0.93 O ATOM 814 NE2 GLN A 63 -4.546 -10.217 1.645 1.00 1.53 N ATOM 0 H GLN A 63 -5.433 -4.316 3.493 1.00 0.27 H new ATOM 0 HA GLN A 63 -3.841 -5.189 1.407 1.00 0.28 H new ATOM 0 HB2 GLN A 63 -4.416 -6.555 3.385 1.00 0.28 H new ATOM 0 HB3 GLN A 63 -6.087 -6.651 2.867 1.00 0.28 H new ATOM 0 HG2 GLN A 63 -5.336 -7.771 0.739 1.00 0.40 H new ATOM 0 HG3 GLN A 63 -3.683 -7.722 1.316 1.00 0.40 H new ATOM 0 HE21 GLN A 63 -4.154 -10.118 0.709 1.00 1.53 H new ATOM 0 HE22 GLN A 63 -4.649 -11.143 2.059 1.00 1.53 H new ATOM 823 N ALA A 64 -7.063 -5.073 0.544 1.00 0.37 N ATOM 824 CA ALA A 64 -7.957 -5.123 -0.608 1.00 0.44 C ATOM 825 C ALA A 64 -7.881 -3.829 -1.449 1.00 0.45 C ATOM 826 O ALA A 64 -8.164 -3.856 -2.648 1.00 0.53 O ATOM 827 CB ALA A 64 -9.367 -5.415 -0.086 1.00 0.49 C ATOM 0 H ALA A 64 -7.531 -4.852 1.423 1.00 0.37 H new ATOM 0 HA ALA A 64 -7.655 -5.917 -1.291 1.00 0.44 H new ATOM 0 HB1 ALA A 64 -10.063 -5.459 -0.924 1.00 0.49 H new ATOM 0 HB2 ALA A 64 -9.370 -6.370 0.439 1.00 0.49 H new ATOM 0 HB3 ALA A 64 -9.673 -4.624 0.598 1.00 0.49 H new ATOM 833 N LEU A 65 -7.435 -2.706 -0.869 1.00 0.43 N ATOM 834 CA LEU A 65 -7.062 -1.513 -1.624 1.00 0.48 C ATOM 835 C LEU A 65 -5.841 -1.775 -2.526 1.00 0.41 C ATOM 836 O LEU A 65 -5.874 -1.466 -3.717 1.00 0.43 O ATOM 837 CB LEU A 65 -6.851 -0.319 -0.680 1.00 0.55 C ATOM 838 CG LEU A 65 -8.157 0.317 -0.166 1.00 0.66 C ATOM 839 CD1 LEU A 65 -7.836 1.318 0.942 1.00 0.75 C ATOM 840 CD2 LEU A 65 -8.915 1.063 -1.266 1.00 0.76 C ATOM 0 H LEU A 65 -7.324 -2.604 0.140 1.00 0.43 H new ATOM 0 HA LEU A 65 -7.886 -1.257 -2.290 1.00 0.48 H new ATOM 0 HB2 LEU A 65 -6.258 -0.646 0.174 1.00 0.55 H new ATOM 0 HB3 LEU A 65 -6.269 0.442 -1.199 1.00 0.55 H new ATOM 0 HG LEU A 65 -8.784 -0.497 0.199 1.00 0.66 H new ATOM 0 HD11 LEU A 65 -8.760 1.768 1.305 1.00 0.75 H new ATOM 0 HD12 LEU A 65 -7.335 0.804 1.763 1.00 0.75 H new ATOM 0 HD13 LEU A 65 -7.183 2.098 0.550 1.00 0.75 H new ATOM 0 HD21 LEU A 65 -9.827 1.492 -0.852 1.00 0.76 H new ATOM 0 HD22 LEU A 65 -8.287 1.860 -1.664 1.00 0.76 H new ATOM 0 HD23 LEU A 65 -9.171 0.369 -2.066 1.00 0.76 H new ATOM 852 N LEU A 66 -4.807 -2.415 -1.973 1.00 0.36 N ATOM 853 CA LEU A 66 -3.576 -2.827 -2.661 1.00 0.37 C ATOM 854 C LEU A 66 -3.829 -3.961 -3.672 1.00 0.39 C ATOM 855 O LEU A 66 -3.331 -3.926 -4.795 1.00 0.47 O ATOM 856 CB LEU A 66 -2.562 -3.269 -1.585 1.00 0.36 C ATOM 857 CG LEU A 66 -2.048 -2.126 -0.682 1.00 0.34 C ATOM 858 CD1 LEU A 66 -1.597 -2.671 0.674 1.00 0.30 C ATOM 859 CD2 LEU A 66 -0.860 -1.415 -1.334 1.00 0.41 C ATOM 0 H LEU A 66 -4.803 -2.673 -0.986 1.00 0.36 H new ATOM 0 HA LEU A 66 -3.186 -1.988 -3.237 1.00 0.37 H new ATOM 0 HB2 LEU A 66 -3.026 -4.030 -0.958 1.00 0.36 H new ATOM 0 HB3 LEU A 66 -1.710 -3.737 -2.077 1.00 0.36 H new ATOM 0 HG LEU A 66 -2.870 -1.423 -0.544 1.00 0.34 H new ATOM 0 HD11 LEU A 66 -1.239 -1.850 1.295 1.00 0.30 H new ATOM 0 HD12 LEU A 66 -2.437 -3.159 1.168 1.00 0.30 H new ATOM 0 HD13 LEU A 66 -0.793 -3.393 0.527 1.00 0.30 H new ATOM 0 HD21 LEU A 66 -0.513 -0.613 -0.682 1.00 0.41 H new ATOM 0 HD22 LEU A 66 -0.052 -2.129 -1.493 1.00 0.41 H new ATOM 0 HD23 LEU A 66 -1.168 -0.996 -2.292 1.00 0.41 H new ATOM 871 N GLU A 67 -4.643 -4.951 -3.312 1.00 0.39 N ATOM 872 CA GLU A 67 -5.043 -6.073 -4.173 1.00 0.48 C ATOM 873 C GLU A 67 -6.033 -5.673 -5.275 1.00 0.44 C ATOM 874 O GLU A 67 -6.083 -6.308 -6.330 1.00 0.54 O ATOM 875 CB GLU A 67 -5.603 -7.202 -3.283 1.00 0.75 C ATOM 876 CG GLU A 67 -4.478 -8.043 -2.647 1.00 0.93 C ATOM 877 CD GLU A 67 -4.886 -9.483 -2.307 1.00 1.32 C ATOM 878 OE1 GLU A 67 -5.537 -10.149 -3.148 1.00 1.66 O ATOM 879 OE2 GLU A 67 -4.516 -9.998 -1.225 1.00 2.60 O ATOM 0 H GLU A 67 -5.059 -5.000 -2.382 1.00 0.39 H new ATOM 0 HA GLU A 67 -4.160 -6.424 -4.707 1.00 0.48 H new ATOM 0 HB2 GLU A 67 -6.223 -6.771 -2.497 1.00 0.75 H new ATOM 0 HB3 GLU A 67 -6.247 -7.849 -3.879 1.00 0.75 H new ATOM 0 HG2 GLU A 67 -3.629 -8.069 -3.330 1.00 0.93 H new ATOM 0 HG3 GLU A 67 -4.140 -7.548 -1.737 1.00 0.93 H new ATOM 886 N GLY A 68 -6.761 -4.572 -5.097 1.00 0.43 N ATOM 887 CA GLY A 68 -7.594 -3.957 -6.135 1.00 0.51 C ATOM 888 C GLY A 68 -6.814 -3.306 -7.285 1.00 0.46 C ATOM 889 O GLY A 68 -7.432 -2.774 -8.207 1.00 0.65 O ATOM 0 H GLY A 68 -6.790 -4.070 -4.209 1.00 0.43 H new ATOM 0 HA2 GLY A 68 -8.255 -4.718 -6.549 1.00 0.51 H new ATOM 0 HA3 GLY A 68 -8.228 -3.201 -5.672 1.00 0.51 H new ATOM 893 N THR A 69 -5.478 -3.321 -7.241 1.00 0.34 N ATOM 894 CA THR A 69 -4.598 -2.771 -8.292 1.00 0.42 C ATOM 895 C THR A 69 -4.292 -3.768 -9.425 1.00 0.54 C ATOM 896 O THR A 69 -3.634 -3.401 -10.400 1.00 0.80 O ATOM 897 CB THR A 69 -3.308 -2.186 -7.688 1.00 0.42 C ATOM 898 OG1 THR A 69 -2.464 -3.182 -7.160 1.00 0.63 O ATOM 899 CG2 THR A 69 -3.651 -1.162 -6.621 1.00 0.66 C ATOM 0 H THR A 69 -4.961 -3.723 -6.459 1.00 0.34 H new ATOM 0 HA THR A 69 -5.157 -1.960 -8.759 1.00 0.42 H new ATOM 0 HB THR A 69 -2.761 -1.700 -8.496 1.00 0.42 H new ATOM 0 HG1 THR A 69 -2.650 -3.296 -6.205 1.00 0.63 H new ATOM 0 HG21 THR A 69 -2.732 -0.754 -6.200 1.00 0.66 H new ATOM 0 HG22 THR A 69 -4.236 -0.356 -7.065 1.00 0.66 H new ATOM 0 HG23 THR A 69 -4.231 -1.640 -5.832 1.00 0.66 H new ATOM 907 N GLY A 70 -4.756 -5.026 -9.321 1.00 0.45 N ATOM 908 CA GLY A 70 -4.562 -6.082 -10.337 1.00 0.58 C ATOM 909 C GLY A 70 -3.429 -7.077 -10.040 1.00 0.57 C ATOM 910 O GLY A 70 -2.944 -7.784 -10.931 1.00 0.70 O ATOM 0 H GLY A 70 -5.288 -5.346 -8.512 1.00 0.45 H new ATOM 0 HA2 GLY A 70 -5.494 -6.638 -10.442 1.00 0.58 H new ATOM 0 HA3 GLY A 70 -4.364 -5.607 -11.298 1.00 0.58 H new ATOM 914 N ARG A 71 -2.981 -7.110 -8.783 1.00 0.47 N ATOM 915 CA ARG A 71 -1.886 -7.935 -8.253 1.00 0.44 C ATOM 916 C ARG A 71 -2.169 -8.360 -6.806 1.00 0.46 C ATOM 917 O ARG A 71 -3.245 -8.065 -6.284 1.00 0.71 O ATOM 918 CB ARG A 71 -0.553 -7.178 -8.445 1.00 0.70 C ATOM 919 CG ARG A 71 -0.562 -5.773 -7.818 1.00 0.87 C ATOM 920 CD ARG A 71 0.673 -4.933 -8.161 1.00 0.63 C ATOM 921 NE ARG A 71 0.799 -4.614 -9.601 1.00 0.73 N ATOM 922 CZ ARG A 71 0.109 -3.711 -10.276 1.00 1.36 C ATOM 923 NH1 ARG A 71 -0.844 -3.015 -9.735 1.00 3.24 N ATOM 924 NH2 ARG A 71 0.338 -3.460 -11.527 1.00 1.16 N ATOM 0 H ARG A 71 -3.398 -6.525 -8.059 1.00 0.47 H new ATOM 0 HA ARG A 71 -1.806 -8.871 -8.807 1.00 0.44 H new ATOM 0 HB2 ARG A 71 0.256 -7.761 -8.004 1.00 0.70 H new ATOM 0 HB3 ARG A 71 -0.341 -7.093 -9.511 1.00 0.70 H new ATOM 0 HG2 ARG A 71 -1.454 -5.243 -8.151 1.00 0.87 H new ATOM 0 HG3 ARG A 71 -0.634 -5.870 -6.735 1.00 0.87 H new ATOM 0 HD2 ARG A 71 0.636 -4.003 -7.594 1.00 0.63 H new ATOM 0 HD3 ARG A 71 1.566 -5.468 -7.838 1.00 0.63 H new ATOM 0 HE ARG A 71 1.491 -5.147 -10.128 1.00 0.73 H new ATOM 0 HH11 ARG A 71 -1.084 -3.156 -8.754 1.00 3.24 H new ATOM 0 HH12 ARG A 71 -1.352 -2.328 -10.291 1.00 3.24 H new ATOM 0 HH21 ARG A 71 1.071 -3.967 -12.023 1.00 1.16 H new ATOM 0 HH22 ARG A 71 -0.215 -2.756 -12.015 1.00 1.16 H new ATOM 938 N GLN A 72 -1.230 -9.054 -6.166 1.00 0.43 N ATOM 939 CA GLN A 72 -1.323 -9.495 -4.771 1.00 0.52 C ATOM 940 C GLN A 72 -0.587 -8.546 -3.814 1.00 0.38 C ATOM 941 O GLN A 72 0.399 -7.906 -4.187 1.00 0.32 O ATOM 942 CB GLN A 72 -0.794 -10.931 -4.647 1.00 0.65 C ATOM 943 CG GLN A 72 -1.110 -11.587 -3.291 1.00 1.35 C ATOM 944 CD GLN A 72 -0.701 -13.051 -3.206 1.00 1.89 C ATOM 945 OE1 GLN A 72 -0.545 -13.754 -4.193 1.00 2.75 O ATOM 946 NE2 GLN A 72 -0.529 -13.560 -2.010 1.00 2.75 N ATOM 0 H GLN A 72 -0.358 -9.334 -6.614 1.00 0.43 H new ATOM 0 HA GLN A 72 -2.373 -9.476 -4.478 1.00 0.52 H new ATOM 0 HB2 GLN A 72 -1.223 -11.538 -5.444 1.00 0.65 H new ATOM 0 HB3 GLN A 72 0.286 -10.926 -4.796 1.00 0.65 H new ATOM 0 HG2 GLN A 72 -0.603 -11.031 -2.502 1.00 1.35 H new ATOM 0 HG3 GLN A 72 -2.180 -11.507 -3.100 1.00 1.35 H new ATOM 0 HE21 GLN A 72 -0.658 -12.976 -1.184 1.00 2.75 H new ATOM 0 HE22 GLN A 72 -0.266 -14.540 -1.906 1.00 2.75 H new ATOM 955 N ALA A 73 -1.048 -8.546 -2.563 1.00 0.40 N ATOM 956 CA ALA A 73 -0.399 -7.986 -1.379 1.00 0.37 C ATOM 957 C ALA A 73 -0.283 -9.048 -0.265 1.00 0.57 C ATOM 958 O ALA A 73 -1.169 -9.891 -0.097 1.00 0.83 O ATOM 959 CB ALA A 73 -1.199 -6.768 -0.906 1.00 0.69 C ATOM 0 H ALA A 73 -1.949 -8.967 -2.335 1.00 0.40 H new ATOM 0 HA ALA A 73 0.614 -7.672 -1.630 1.00 0.37 H new ATOM 0 HB1 ALA A 73 -0.724 -6.341 -0.023 1.00 0.69 H new ATOM 0 HB2 ALA A 73 -1.227 -6.021 -1.699 1.00 0.69 H new ATOM 0 HB3 ALA A 73 -2.216 -7.074 -0.659 1.00 0.69 H new ATOM 965 N VAL A 74 0.801 -8.995 0.508 1.00 0.55 N ATOM 966 CA VAL A 74 1.089 -9.817 1.692 1.00 0.73 C ATOM 967 C VAL A 74 1.700 -8.917 2.753 1.00 0.71 C ATOM 968 O VAL A 74 2.795 -8.383 2.606 1.00 0.76 O ATOM 969 CB VAL A 74 2.071 -10.955 1.377 1.00 0.84 C ATOM 970 CG1 VAL A 74 2.543 -11.710 2.631 1.00 0.99 C ATOM 971 CG2 VAL A 74 1.422 -11.988 0.459 1.00 0.92 C ATOM 0 H VAL A 74 1.554 -8.334 0.314 1.00 0.55 H new ATOM 0 HA VAL A 74 0.158 -10.269 2.036 1.00 0.73 H new ATOM 0 HB VAL A 74 2.927 -10.473 0.904 1.00 0.84 H new ATOM 0 HG11 VAL A 74 3.234 -12.501 2.341 1.00 0.99 H new ATOM 0 HG12 VAL A 74 3.047 -11.017 3.305 1.00 0.99 H new ATOM 0 HG13 VAL A 74 1.683 -12.148 3.137 1.00 0.99 H new ATOM 0 HG21 VAL A 74 2.134 -12.786 0.248 1.00 0.92 H new ATOM 0 HG22 VAL A 74 0.542 -12.407 0.947 1.00 0.92 H new ATOM 0 HG23 VAL A 74 1.126 -11.510 -0.475 1.00 0.92 H new ATOM 981 N LEU A 75 0.982 -8.743 3.845 1.00 0.66 N ATOM 982 CA LEU A 75 1.400 -7.878 4.944 1.00 0.57 C ATOM 983 C LEU A 75 2.644 -8.392 5.678 1.00 0.61 C ATOM 984 O LEU A 75 2.798 -9.592 5.928 1.00 0.85 O ATOM 985 CB LEU A 75 0.199 -7.631 5.842 1.00 0.68 C ATOM 986 CG LEU A 75 0.427 -6.576 6.939 1.00 0.64 C ATOM 987 CD1 LEU A 75 1.183 -5.309 6.537 1.00 1.09 C ATOM 988 CD2 LEU A 75 -0.919 -5.992 7.222 1.00 1.09 C ATOM 0 H LEU A 75 0.083 -9.200 4.001 1.00 0.66 H new ATOM 0 HA LEU A 75 1.732 -6.919 4.547 1.00 0.57 H new ATOM 0 HB2 LEU A 75 -0.642 -7.318 5.224 1.00 0.68 H new ATOM 0 HB3 LEU A 75 -0.085 -8.572 6.314 1.00 0.68 H new ATOM 0 HG LEU A 75 0.976 -7.105 7.718 1.00 0.64 H new ATOM 0 HD11 LEU A 75 1.275 -4.651 7.401 1.00 1.09 H new ATOM 0 HD12 LEU A 75 2.177 -5.577 6.177 1.00 1.09 H new ATOM 0 HD13 LEU A 75 0.637 -4.795 5.746 1.00 1.09 H new ATOM 0 HD21 LEU A 75 -0.830 -5.231 7.997 1.00 1.09 H new ATOM 0 HD22 LEU A 75 -1.318 -5.540 6.314 1.00 1.09 H new ATOM 0 HD23 LEU A 75 -1.593 -6.779 7.562 1.00 1.09 H new ATOM 1000 N LYS A 76 3.526 -7.453 6.032 1.00 0.44 N ATOM 1001 CA LYS A 76 4.780 -7.692 6.760 1.00 0.51 C ATOM 1002 C LYS A 76 4.802 -7.111 8.177 1.00 0.57 C ATOM 1003 O LYS A 76 5.465 -7.685 9.040 1.00 0.81 O ATOM 1004 CB LYS A 76 5.974 -7.221 5.910 1.00 0.52 C ATOM 1005 CG LYS A 76 6.086 -7.902 4.531 1.00 0.51 C ATOM 1006 CD LYS A 76 6.262 -9.425 4.614 1.00 0.60 C ATOM 1007 CE LYS A 76 6.100 -10.067 3.236 1.00 2.07 C ATOM 1008 NZ LYS A 76 6.074 -11.544 3.310 1.00 2.24 N ATOM 0 H LYS A 76 3.383 -6.467 5.812 1.00 0.44 H new ATOM 0 HA LYS A 76 4.860 -8.768 6.915 1.00 0.51 H new ATOM 0 HB2 LYS A 76 5.897 -6.144 5.764 1.00 0.52 H new ATOM 0 HB3 LYS A 76 6.894 -7.402 6.466 1.00 0.52 H new ATOM 0 HG2 LYS A 76 5.191 -7.679 3.950 1.00 0.51 H new ATOM 0 HG3 LYS A 76 6.931 -7.475 3.991 1.00 0.51 H new ATOM 0 HD2 LYS A 76 7.248 -9.660 5.016 1.00 0.60 H new ATOM 0 HD3 LYS A 76 5.528 -9.843 5.303 1.00 0.60 H new ATOM 0 HE2 LYS A 76 5.178 -9.711 2.777 1.00 2.07 H new ATOM 0 HE3 LYS A 76 6.920 -9.751 2.591 1.00 2.07 H new ATOM 0 HZ1 LYS A 76 5.963 -11.938 2.354 1.00 2.24 H new ATOM 0 HZ2 LYS A 76 6.964 -11.887 3.724 1.00 2.24 H new ATOM 0 HZ3 LYS A 76 5.276 -11.848 3.904 1.00 2.24 H new ATOM 1022 N GLY A 77 4.029 -6.060 8.436 1.00 0.41 N ATOM 1023 CA GLY A 77 3.568 -5.644 9.755 1.00 0.34 C ATOM 1024 C GLY A 77 3.060 -4.205 9.767 1.00 0.41 C ATOM 1025 O GLY A 77 2.850 -3.583 8.723 1.00 0.47 O ATOM 0 H GLY A 77 3.691 -5.446 7.695 1.00 0.41 H new ATOM 0 HA2 GLY A 77 2.771 -6.310 10.085 1.00 0.34 H new ATOM 0 HA3 GLY A 77 4.384 -5.744 10.470 1.00 0.34 H new ATOM 1029 N MET A 78 2.864 -3.664 10.963 1.00 0.64 N ATOM 1030 CA MET A 78 2.668 -2.239 11.181 1.00 0.68 C ATOM 1031 C MET A 78 4.036 -1.548 11.176 1.00 0.83 C ATOM 1032 O MET A 78 4.961 -1.965 11.874 1.00 1.02 O ATOM 1033 CB MET A 78 1.885 -2.002 12.475 1.00 0.65 C ATOM 1034 CG MET A 78 0.454 -2.550 12.363 1.00 0.79 C ATOM 1035 SD MET A 78 0.256 -4.223 13.034 1.00 1.31 S ATOM 1036 CE MET A 78 -1.269 -4.717 12.192 1.00 1.26 C ATOM 0 H MET A 78 2.837 -4.213 11.822 1.00 0.64 H new ATOM 0 HA MET A 78 2.070 -1.806 10.379 1.00 0.68 H new ATOM 0 HB2 MET A 78 2.398 -2.483 13.308 1.00 0.65 H new ATOM 0 HB3 MET A 78 1.853 -0.935 12.694 1.00 0.65 H new ATOM 0 HG2 MET A 78 -0.225 -1.876 12.886 1.00 0.79 H new ATOM 0 HG3 MET A 78 0.157 -2.552 11.314 1.00 0.79 H new ATOM 0 HE1 MET A 78 -1.654 -5.631 12.644 1.00 1.26 H new ATOM 0 HE2 MET A 78 -2.011 -3.924 12.288 1.00 1.26 H new ATOM 0 HE3 MET A 78 -1.061 -4.894 11.137 1.00 1.26 H new