USER MOD reduce.3.24.130724 H: found=0, std=0, add=526, rem=0, adj=14 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 59 SER OG : rot 160:sc= 0.0624 USER MOD Set 1.2: A 78 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 22 CYS SG : rot 180:sc= 0 USER MOD Set 2.2: A 25 CYS SG : rot 180:sc= 0.188 USER MOD Set 3.1: A 13 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 54 HIS : no HD1:sc= -0.276 X(o=-0.28,f=-0.0044) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 CYS SG : rot 22:sc= 0.376 USER MOD Single : A 19 GLN : amide:sc= -0.231 X(o=-0.23,f=-0.25) USER MOD Single : A 20 MET CE :methyl 150:sc= -1.54 (180deg=-2.31!) USER MOD Single : A 21 THR OG1 : rot -46:sc= 0.145 USER MOD Single : A 23 GLN : amide:sc= -0.125 X(o=-0.13,f=-0.17) 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 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 GLN : amide:sc= -0.0239 X(o=-0.024,f=-0.15) USER MOD Single : A 45 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 49 GLN : amide:sc= -0.0299 K(o=-0.03,f=-0.85) USER MOD Single : A 50 MET CE :methyl -168:sc= 0 (180deg=-0.106) USER MOD Single : A 55 THR OG1 : rot 26:sc= 1.55 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 GLN : amide:sc= 0.797 K(o=0.8,f=-5.2!) USER MOD Single : A 63 GLN : amide:sc= 0.581 K(o=0.58,f=-0.058) USER MOD Single : A 69 THR OG1 : rot -76:sc= 1.29 USER MOD Single : A 72 GLN : amide:sc= -0.365 X(o=-0.37,f=-0.65) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 8 N THR A 10 -7.584 5.059 13.580 1.00 0.84 N ATOM 9 CA THR A 10 -6.493 5.966 13.963 1.00 0.68 C ATOM 10 C THR A 10 -5.206 5.693 13.196 1.00 0.55 C ATOM 11 O THR A 10 -4.947 4.561 12.782 1.00 0.54 O ATOM 12 CB THR A 10 -6.238 5.882 15.466 1.00 0.85 C ATOM 13 OG1 THR A 10 -5.340 6.886 15.864 1.00 0.82 O ATOM 14 CG2 THR A 10 -5.701 4.535 15.942 1.00 1.04 C ATOM 0 HA THR A 10 -6.813 6.975 13.702 1.00 0.68 H new ATOM 0 HB THR A 10 -7.216 6.016 15.928 1.00 0.85 H new ATOM 0 HG1 THR A 10 -5.186 6.823 16.830 1.00 0.82 H new ATOM 0 HG21 THR A 10 -5.549 4.565 17.021 1.00 1.04 H new ATOM 0 HG22 THR A 10 -6.418 3.751 15.698 1.00 1.04 H new ATOM 0 HG23 THR A 10 -4.752 4.326 15.448 1.00 1.04 H new ATOM 22 N LEU A 11 -4.416 6.742 12.979 1.00 0.51 N ATOM 23 CA LEU A 11 -3.272 6.761 12.088 1.00 0.42 C ATOM 24 C LEU A 11 -2.126 5.850 12.537 1.00 0.46 C ATOM 25 O LEU A 11 -1.710 5.873 13.697 1.00 0.63 O ATOM 26 CB LEU A 11 -2.855 8.227 11.893 1.00 0.46 C ATOM 27 CG LEU A 11 -3.494 8.830 10.630 1.00 1.34 C ATOM 28 CD1 LEU A 11 -3.525 10.351 10.628 1.00 3.03 C ATOM 29 CD2 LEU A 11 -2.772 8.387 9.355 1.00 1.00 C ATOM 0 H LEU A 11 -4.567 7.638 13.442 1.00 0.51 H new ATOM 0 HA LEU A 11 -3.556 6.335 11.126 1.00 0.42 H new ATOM 0 HB2 LEU A 11 -3.150 8.810 12.765 1.00 0.46 H new ATOM 0 HB3 LEU A 11 -1.769 8.291 11.819 1.00 0.46 H new ATOM 0 HG LEU A 11 -4.517 8.454 10.646 1.00 1.34 H new ATOM 0 HD11 LEU A 11 -3.989 10.704 9.707 1.00 3.03 H new ATOM 0 HD12 LEU A 11 -4.101 10.704 11.483 1.00 3.03 H new ATOM 0 HD13 LEU A 11 -2.507 10.736 10.692 1.00 3.03 H new ATOM 0 HD21 LEU A 11 -3.256 8.836 8.488 1.00 1.00 H new ATOM 0 HD22 LEU A 11 -1.731 8.708 9.396 1.00 1.00 H new ATOM 0 HD23 LEU A 11 -2.814 7.301 9.272 1.00 1.00 H new ATOM 41 N CYS A 12 -1.654 5.041 11.589 1.00 0.37 N ATOM 42 CA CYS A 12 -0.633 4.000 11.712 1.00 0.45 C ATOM 43 C CYS A 12 0.091 3.823 10.359 1.00 0.30 C ATOM 44 O CYS A 12 -0.489 4.114 9.310 1.00 0.29 O ATOM 45 CB CYS A 12 -1.351 2.695 12.097 1.00 0.70 C ATOM 46 SG CYS A 12 -1.839 2.718 13.849 1.00 1.83 S ATOM 0 H CYS A 12 -2.006 5.102 10.634 1.00 0.37 H new ATOM 0 HA CYS A 12 0.107 4.267 12.467 1.00 0.45 H new ATOM 0 HB2 CYS A 12 -2.233 2.562 11.471 1.00 0.70 H new ATOM 0 HB3 CYS A 12 -0.695 1.845 11.909 1.00 0.70 H new ATOM 0 HG CYS A 12 -1.897 3.948 14.267 1.00 1.83 H new ATOM 52 N THR A 13 1.326 3.310 10.367 1.00 0.34 N ATOM 53 CA THR A 13 2.045 2.874 9.154 1.00 0.24 C ATOM 54 C THR A 13 1.891 1.366 8.973 1.00 0.26 C ATOM 55 O THR A 13 2.261 0.604 9.864 1.00 0.45 O ATOM 56 CB THR A 13 3.552 3.191 9.204 1.00 0.28 C ATOM 57 OG1 THR A 13 3.792 4.557 9.457 1.00 0.42 O ATOM 58 CG2 THR A 13 4.259 2.835 7.893 1.00 0.33 C ATOM 0 H THR A 13 1.865 3.182 11.223 1.00 0.34 H new ATOM 0 HA THR A 13 1.604 3.424 8.323 1.00 0.24 H new ATOM 0 HB THR A 13 3.949 2.583 10.017 1.00 0.28 H new ATOM 0 HG1 THR A 13 4.758 4.720 9.483 1.00 0.42 H new ATOM 0 HG21 THR A 13 5.319 3.075 7.974 1.00 0.33 H new ATOM 0 HG22 THR A 13 4.143 1.770 7.695 1.00 0.33 H new ATOM 0 HG23 THR A 13 3.819 3.406 7.076 1.00 0.33 H new ATOM 66 N LEU A 14 1.431 0.915 7.807 1.00 0.23 N ATOM 67 CA LEU A 14 1.406 -0.505 7.422 1.00 0.28 C ATOM 68 C LEU A 14 2.479 -0.792 6.358 1.00 0.30 C ATOM 69 O LEU A 14 2.576 -0.057 5.377 1.00 0.32 O ATOM 70 CB LEU A 14 -0.010 -0.870 6.950 1.00 0.37 C ATOM 71 CG LEU A 14 -1.035 -1.244 8.046 1.00 0.45 C ATOM 72 CD1 LEU A 14 -0.957 -0.471 9.358 1.00 1.01 C ATOM 73 CD2 LEU A 14 -2.444 -1.030 7.499 1.00 1.56 C ATOM 0 H LEU A 14 1.057 1.533 7.087 1.00 0.23 H new ATOM 0 HA LEU A 14 1.647 -1.134 8.279 1.00 0.28 H new ATOM 0 HB2 LEU A 14 -0.408 -0.027 6.386 1.00 0.37 H new ATOM 0 HB3 LEU A 14 0.068 -1.708 6.258 1.00 0.37 H new ATOM 0 HG LEU A 14 -0.792 -2.279 8.286 1.00 0.45 H new ATOM 0 HD11 LEU A 14 -1.729 -0.830 10.038 1.00 1.01 H new ATOM 0 HD12 LEU A 14 0.023 -0.620 9.810 1.00 1.01 H new ATOM 0 HD13 LEU A 14 -1.109 0.591 9.164 1.00 1.01 H new ATOM 0 HD21 LEU A 14 -3.175 -1.291 8.264 1.00 1.56 H new ATOM 0 HD22 LEU A 14 -2.570 0.016 7.218 1.00 1.56 H new ATOM 0 HD23 LEU A 14 -2.594 -1.662 6.623 1.00 1.56 H new ATOM 85 N GLU A 15 3.267 -1.855 6.558 1.00 0.36 N ATOM 86 CA GLU A 15 4.373 -2.304 5.692 1.00 0.35 C ATOM 87 C GLU A 15 4.016 -3.583 4.916 1.00 0.29 C ATOM 88 O GLU A 15 4.215 -4.702 5.396 1.00 0.35 O ATOM 89 CB GLU A 15 5.639 -2.564 6.528 1.00 0.48 C ATOM 90 CG GLU A 15 6.241 -1.301 7.138 1.00 0.94 C ATOM 91 CD GLU A 15 7.587 -1.635 7.797 1.00 1.02 C ATOM 92 OE1 GLU A 15 7.615 -2.299 8.865 1.00 1.92 O ATOM 93 OE2 GLU A 15 8.647 -1.297 7.222 1.00 1.98 O ATOM 0 H GLU A 15 3.147 -2.460 7.370 1.00 0.36 H new ATOM 0 HA GLU A 15 4.556 -1.505 4.974 1.00 0.35 H new ATOM 0 HB2 GLU A 15 5.398 -3.264 7.328 1.00 0.48 H new ATOM 0 HB3 GLU A 15 6.387 -3.045 5.898 1.00 0.48 H new ATOM 0 HG2 GLU A 15 6.381 -0.544 6.366 1.00 0.94 H new ATOM 0 HG3 GLU A 15 5.558 -0.881 7.876 1.00 0.94 H new ATOM 100 N PHE A 16 3.514 -3.446 3.691 1.00 0.26 N ATOM 101 CA PHE A 16 3.047 -4.588 2.891 1.00 0.26 C ATOM 102 C PHE A 16 4.078 -5.049 1.861 1.00 0.28 C ATOM 103 O PHE A 16 4.699 -4.234 1.183 1.00 0.32 O ATOM 104 CB PHE A 16 1.753 -4.251 2.143 1.00 0.29 C ATOM 105 CG PHE A 16 0.485 -4.152 2.953 1.00 0.27 C ATOM 106 CD1 PHE A 16 0.099 -2.925 3.516 1.00 1.52 C ATOM 107 CD2 PHE A 16 -0.356 -5.277 3.055 1.00 1.49 C ATOM 108 CE1 PHE A 16 -1.147 -2.812 4.153 1.00 1.55 C ATOM 109 CE2 PHE A 16 -1.603 -5.159 3.686 1.00 1.47 C ATOM 110 CZ PHE A 16 -2.002 -3.926 4.229 1.00 0.32 C ATOM 0 H PHE A 16 3.417 -2.546 3.221 1.00 0.26 H new ATOM 0 HA PHE A 16 2.876 -5.392 3.606 1.00 0.26 H new ATOM 0 HB2 PHE A 16 1.899 -3.300 1.630 1.00 0.29 H new ATOM 0 HB3 PHE A 16 1.602 -5.009 1.374 1.00 0.29 H new ATOM 0 HD1 PHE A 16 0.758 -2.071 3.459 1.00 1.52 H new ATOM 0 HD2 PHE A 16 -0.042 -6.227 2.649 1.00 1.49 H new ATOM 0 HE1 PHE A 16 -1.449 -1.869 4.585 1.00 1.55 H new ATOM 0 HE2 PHE A 16 -2.257 -6.016 3.755 1.00 1.47 H new ATOM 0 HZ PHE A 16 -2.967 -3.834 4.705 1.00 0.32 H new ATOM 120 N ALA A 17 4.164 -6.365 1.681 1.00 0.33 N ATOM 121 CA ALA A 17 4.781 -6.998 0.510 1.00 0.31 C ATOM 122 C ALA A 17 3.769 -7.132 -0.649 1.00 0.26 C ATOM 123 O ALA A 17 2.626 -7.533 -0.435 1.00 0.34 O ATOM 124 CB ALA A 17 5.335 -8.362 0.929 1.00 0.37 C ATOM 0 H ALA A 17 3.801 -7.037 2.356 1.00 0.33 H new ATOM 0 HA ALA A 17 5.596 -6.374 0.143 1.00 0.31 H new ATOM 0 HB1 ALA A 17 5.798 -8.847 0.069 1.00 0.37 H new ATOM 0 HB2 ALA A 17 6.080 -8.227 1.714 1.00 0.37 H new ATOM 0 HB3 ALA A 17 4.523 -8.985 1.303 1.00 0.37 H new ATOM 130 N VAL A 18 4.162 -6.812 -1.884 1.00 0.26 N ATOM 131 CA VAL A 18 3.266 -6.757 -3.062 1.00 0.27 C ATOM 132 C VAL A 18 3.947 -7.267 -4.331 1.00 0.34 C ATOM 133 O VAL A 18 5.173 -7.304 -4.406 1.00 0.56 O ATOM 134 CB VAL A 18 2.741 -5.331 -3.298 1.00 0.37 C ATOM 135 CG1 VAL A 18 1.814 -4.826 -2.187 1.00 0.48 C ATOM 136 CG2 VAL A 18 3.881 -4.334 -3.435 1.00 0.43 C ATOM 0 H VAL A 18 5.129 -6.578 -2.107 1.00 0.26 H new ATOM 0 HA VAL A 18 2.427 -7.415 -2.839 1.00 0.27 H new ATOM 0 HB VAL A 18 2.170 -5.399 -4.224 1.00 0.37 H new ATOM 0 HG11 VAL A 18 1.483 -3.814 -2.421 1.00 0.48 H new ATOM 0 HG12 VAL A 18 0.947 -5.483 -2.110 1.00 0.48 H new ATOM 0 HG13 VAL A 18 2.351 -4.821 -1.239 1.00 0.48 H new ATOM 0 HG21 VAL A 18 3.474 -3.337 -3.601 1.00 0.43 H new ATOM 0 HG22 VAL A 18 4.477 -4.336 -2.523 1.00 0.43 H new ATOM 0 HG23 VAL A 18 4.510 -4.614 -4.280 1.00 0.43 H new ATOM 146 N GLN A 19 3.173 -7.635 -5.357 1.00 0.36 N ATOM 147 CA GLN A 19 3.754 -8.102 -6.623 1.00 0.43 C ATOM 148 C GLN A 19 3.952 -6.944 -7.614 1.00 0.44 C ATOM 149 O GLN A 19 3.089 -6.659 -8.451 1.00 0.53 O ATOM 150 CB GLN A 19 2.886 -9.238 -7.199 1.00 0.67 C ATOM 151 CG GLN A 19 2.908 -10.506 -6.325 1.00 1.40 C ATOM 152 CD GLN A 19 4.314 -11.070 -6.139 1.00 2.49 C ATOM 153 OE1 GLN A 19 5.089 -11.184 -7.081 1.00 3.31 O ATOM 154 NE2 GLN A 19 4.701 -11.390 -4.925 1.00 3.79 N ATOM 0 H GLN A 19 2.153 -7.620 -5.339 1.00 0.36 H new ATOM 0 HA GLN A 19 4.750 -8.503 -6.435 1.00 0.43 H new ATOM 0 HB2 GLN A 19 1.858 -8.889 -7.299 1.00 0.67 H new ATOM 0 HB3 GLN A 19 3.238 -9.486 -8.200 1.00 0.67 H new ATOM 0 HG2 GLN A 19 2.481 -10.277 -5.349 1.00 1.40 H new ATOM 0 HG3 GLN A 19 2.273 -11.267 -6.780 1.00 1.40 H new ATOM 0 HE21 GLN A 19 4.055 -11.294 -4.142 1.00 3.79 H new ATOM 0 HE22 GLN A 19 5.648 -11.734 -4.766 1.00 3.79 H new ATOM 163 N MET A 20 5.128 -6.310 -7.556 1.00 0.44 N ATOM 164 CA MET A 20 5.652 -5.444 -8.616 1.00 0.51 C ATOM 165 C MET A 20 7.191 -5.410 -8.637 1.00 0.68 C ATOM 166 O MET A 20 7.824 -5.391 -7.584 1.00 0.88 O ATOM 167 CB MET A 20 5.084 -4.028 -8.492 1.00 0.47 C ATOM 168 CG MET A 20 5.120 -3.467 -7.073 1.00 0.42 C ATOM 169 SD MET A 20 4.868 -1.676 -7.019 1.00 0.57 S ATOM 170 CE MET A 20 4.794 -1.532 -5.227 1.00 0.43 C ATOM 0 H MET A 20 5.754 -6.386 -6.755 1.00 0.44 H new ATOM 0 HA MET A 20 5.327 -5.871 -9.564 1.00 0.51 H new ATOM 0 HB2 MET A 20 5.645 -3.364 -9.149 1.00 0.47 H new ATOM 0 HB3 MET A 20 4.053 -4.029 -8.845 1.00 0.47 H new ATOM 0 HG2 MET A 20 4.351 -3.955 -6.475 1.00 0.42 H new ATOM 0 HG3 MET A 20 6.080 -3.708 -6.616 1.00 0.42 H new ATOM 0 HE1 MET A 20 5.167 -0.553 -4.925 1.00 0.43 H new ATOM 0 HE2 MET A 20 3.762 -1.645 -4.895 1.00 0.43 H new ATOM 0 HE3 MET A 20 5.408 -2.310 -4.774 1.00 0.43 H new ATOM 180 N THR A 21 7.786 -5.358 -9.835 1.00 0.78 N ATOM 181 CA THR A 21 9.250 -5.289 -10.054 1.00 1.02 C ATOM 182 C THR A 21 9.671 -4.447 -11.282 1.00 0.74 C ATOM 183 O THR A 21 10.852 -4.392 -11.653 1.00 0.73 O ATOM 184 CB THR A 21 9.829 -6.715 -10.061 1.00 1.73 C ATOM 185 OG1 THR A 21 11.224 -6.705 -9.848 1.00 3.44 O ATOM 186 CG2 THR A 21 9.550 -7.505 -11.340 1.00 1.14 C ATOM 0 H THR A 21 7.256 -5.362 -10.706 1.00 0.78 H new ATOM 0 HA THR A 21 9.686 -4.739 -9.220 1.00 1.02 H new ATOM 0 HB THR A 21 9.312 -7.216 -9.242 1.00 1.73 H new ATOM 0 HG1 THR A 21 11.637 -6.025 -10.420 1.00 3.44 H new ATOM 0 HG21 THR A 21 9.993 -8.497 -11.259 1.00 1.14 H new ATOM 0 HG22 THR A 21 8.473 -7.599 -11.482 1.00 1.14 H new ATOM 0 HG23 THR A 21 9.984 -6.982 -12.192 1.00 1.14 H new ATOM 194 N CYS A 22 8.715 -3.745 -11.902 1.00 0.69 N ATOM 195 CA CYS A 22 8.940 -2.741 -12.942 1.00 0.63 C ATOM 196 C CYS A 22 8.163 -1.422 -12.675 1.00 0.60 C ATOM 197 O CYS A 22 7.232 -1.370 -11.865 1.00 0.65 O ATOM 198 CB CYS A 22 8.714 -3.416 -14.313 1.00 0.89 C ATOM 199 SG CYS A 22 7.245 -2.889 -15.242 1.00 0.95 S ATOM 0 H CYS A 22 7.726 -3.867 -11.683 1.00 0.69 H new ATOM 0 HA CYS A 22 9.971 -2.387 -12.936 1.00 0.63 H new ATOM 0 HB2 CYS A 22 9.593 -3.234 -14.932 1.00 0.89 H new ATOM 0 HB3 CYS A 22 8.651 -4.493 -14.157 1.00 0.89 H new ATOM 0 HG CYS A 22 7.188 -3.536 -16.368 1.00 0.95 H new ATOM 204 N GLN A 23 8.589 -0.344 -13.339 1.00 0.64 N ATOM 205 CA GLN A 23 8.277 1.046 -12.975 1.00 0.66 C ATOM 206 C GLN A 23 6.821 1.476 -13.259 1.00 0.67 C ATOM 207 O GLN A 23 6.290 2.338 -12.556 1.00 0.72 O ATOM 208 CB GLN A 23 9.313 1.983 -13.614 1.00 0.76 C ATOM 209 CG GLN A 23 10.726 1.776 -13.030 1.00 1.43 C ATOM 210 CD GLN A 23 10.801 2.002 -11.521 1.00 1.41 C ATOM 211 OE1 GLN A 23 10.177 2.895 -10.960 1.00 1.86 O ATOM 212 NE2 GLN A 23 11.522 1.186 -10.784 1.00 1.83 N ATOM 0 H GLN A 23 9.178 -0.413 -14.169 1.00 0.64 H new ATOM 0 HA GLN A 23 8.349 1.119 -11.890 1.00 0.66 H new ATOM 0 HB2 GLN A 23 9.338 1.813 -14.690 1.00 0.76 H new ATOM 0 HB3 GLN A 23 9.007 3.018 -13.462 1.00 0.76 H new ATOM 0 HG2 GLN A 23 11.058 0.762 -13.255 1.00 1.43 H new ATOM 0 HG3 GLN A 23 11.419 2.456 -13.526 1.00 1.43 H new ATOM 0 HE21 GLN A 23 12.051 0.434 -11.225 1.00 1.83 H new ATOM 0 HE22 GLN A 23 11.552 1.305 -9.771 1.00 1.83 H new ATOM 221 N SER A 24 6.128 0.821 -14.196 1.00 0.70 N ATOM 222 CA SER A 24 4.711 1.095 -14.498 1.00 0.75 C ATOM 223 C SER A 24 3.751 0.661 -13.382 1.00 0.61 C ATOM 224 O SER A 24 2.685 1.266 -13.232 1.00 0.67 O ATOM 225 CB SER A 24 4.313 0.406 -15.818 1.00 0.95 C ATOM 226 OG SER A 24 5.273 0.594 -16.853 1.00 1.31 O ATOM 0 H SER A 24 6.532 0.082 -14.771 1.00 0.70 H new ATOM 0 HA SER A 24 4.620 2.177 -14.587 1.00 0.75 H new ATOM 0 HB2 SER A 24 4.183 -0.661 -15.640 1.00 0.95 H new ATOM 0 HB3 SER A 24 3.349 0.794 -16.148 1.00 0.95 H new ATOM 0 HG SER A 24 4.972 0.136 -17.665 1.00 1.31 H new ATOM 232 N CYS A 25 4.134 -0.328 -12.566 1.00 0.50 N ATOM 233 CA CYS A 25 3.328 -0.827 -11.464 1.00 0.43 C ATOM 234 C CYS A 25 3.389 0.139 -10.254 1.00 0.32 C ATOM 235 O CYS A 25 2.381 0.433 -9.624 1.00 0.34 O ATOM 236 CB CYS A 25 3.857 -2.230 -11.129 1.00 0.60 C ATOM 237 SG CYS A 25 3.852 -3.501 -12.431 1.00 0.99 S ATOM 0 H CYS A 25 5.029 -0.807 -12.661 1.00 0.50 H new ATOM 0 HA CYS A 25 2.274 -0.887 -11.735 1.00 0.43 H new ATOM 0 HB2 CYS A 25 4.883 -2.121 -10.778 1.00 0.60 H new ATOM 0 HB3 CYS A 25 3.273 -2.612 -10.292 1.00 0.60 H new ATOM 0 HG CYS A 25 4.336 -4.610 -11.956 1.00 0.99 H new ATOM 242 N VAL A 26 4.577 0.666 -9.966 1.00 0.34 N ATOM 243 CA VAL A 26 4.906 1.603 -8.878 1.00 0.35 C ATOM 244 C VAL A 26 3.977 2.804 -8.891 1.00 0.35 C ATOM 245 O VAL A 26 3.283 3.055 -7.909 1.00 0.37 O ATOM 246 CB VAL A 26 6.357 2.107 -9.026 1.00 0.46 C ATOM 247 CG1 VAL A 26 7.017 2.469 -7.705 1.00 0.48 C ATOM 248 CG2 VAL A 26 7.261 1.041 -9.587 1.00 0.68 C ATOM 0 H VAL A 26 5.400 0.437 -10.524 1.00 0.34 H new ATOM 0 HA VAL A 26 4.789 1.066 -7.937 1.00 0.35 H new ATOM 0 HB VAL A 26 6.254 2.978 -9.674 1.00 0.46 H new ATOM 0 HG11 VAL A 26 8.034 2.815 -7.889 1.00 0.48 H new ATOM 0 HG12 VAL A 26 6.447 3.261 -7.219 1.00 0.48 H new ATOM 0 HG13 VAL A 26 7.043 1.592 -7.059 1.00 0.48 H new ATOM 0 HG21 VAL A 26 8.274 1.433 -9.677 1.00 0.68 H new ATOM 0 HG22 VAL A 26 7.263 0.178 -8.921 1.00 0.68 H new ATOM 0 HG23 VAL A 26 6.901 0.739 -10.570 1.00 0.68 H new ATOM 258 N ASP A 27 3.904 3.490 -10.035 1.00 0.37 N ATOM 259 CA ASP A 27 2.999 4.615 -10.252 1.00 0.41 C ATOM 260 C ASP A 27 1.542 4.187 -10.095 1.00 0.36 C ATOM 261 O ASP A 27 0.739 4.896 -9.495 1.00 0.42 O ATOM 262 CB ASP A 27 3.201 5.135 -11.677 1.00 0.52 C ATOM 263 CG ASP A 27 2.662 6.556 -11.865 1.00 1.16 C ATOM 264 OD1 ASP A 27 3.207 7.487 -11.227 1.00 1.91 O ATOM 265 OD2 ASP A 27 1.728 6.734 -12.688 1.00 2.42 O ATOM 0 H ASP A 27 4.482 3.274 -10.847 1.00 0.37 H new ATOM 0 HA ASP A 27 3.219 5.387 -9.514 1.00 0.41 H new ATOM 0 HB2 ASP A 27 4.264 5.118 -11.919 1.00 0.52 H new ATOM 0 HB3 ASP A 27 2.703 4.465 -12.379 1.00 0.52 H new ATOM 270 N ALA A 28 1.202 2.998 -10.592 1.00 0.33 N ATOM 271 CA ALA A 28 -0.185 2.552 -10.580 1.00 0.36 C ATOM 272 C ALA A 28 -0.680 2.286 -9.159 1.00 0.40 C ATOM 273 O ALA A 28 -1.766 2.751 -8.791 1.00 0.51 O ATOM 274 CB ALA A 28 -0.330 1.314 -11.446 1.00 0.35 C ATOM 0 H ALA A 28 1.861 2.336 -11.002 1.00 0.33 H new ATOM 0 HA ALA A 28 -0.806 3.349 -10.989 1.00 0.36 H new ATOM 0 HB1 ALA A 28 -1.368 0.982 -11.436 1.00 0.35 H new ATOM 0 HB2 ALA A 28 -0.034 1.549 -12.469 1.00 0.35 H new ATOM 0 HB3 ALA A 28 0.308 0.521 -11.057 1.00 0.35 H new ATOM 280 N VAL A 29 0.116 1.587 -8.337 1.00 0.35 N ATOM 281 CA VAL A 29 -0.272 1.286 -6.979 1.00 0.43 C ATOM 282 C VAL A 29 -0.215 2.553 -6.125 1.00 0.46 C ATOM 283 O VAL A 29 -1.194 2.846 -5.436 1.00 0.66 O ATOM 284 CB VAL A 29 0.551 0.120 -6.404 1.00 0.50 C ATOM 285 CG1 VAL A 29 -0.120 -0.366 -5.126 1.00 0.66 C ATOM 286 CG2 VAL A 29 0.586 -1.132 -7.294 1.00 0.52 C ATOM 0 H VAL A 29 1.032 1.225 -8.603 1.00 0.35 H new ATOM 0 HA VAL A 29 -1.306 0.942 -6.969 1.00 0.43 H new ATOM 0 HB VAL A 29 1.559 0.518 -6.284 1.00 0.50 H new ATOM 0 HG11 VAL A 29 0.452 -1.193 -4.706 1.00 0.66 H new ATOM 0 HG12 VAL A 29 -0.162 0.450 -4.404 1.00 0.66 H new ATOM 0 HG13 VAL A 29 -1.132 -0.703 -5.352 1.00 0.66 H new ATOM 0 HG21 VAL A 29 1.187 -1.904 -6.813 1.00 0.52 H new ATOM 0 HG22 VAL A 29 -0.429 -1.502 -7.442 1.00 0.52 H new ATOM 0 HG23 VAL A 29 1.024 -0.880 -8.260 1.00 0.52 H new ATOM 296 N ARG A 30 0.843 3.376 -6.255 1.00 0.35 N ATOM 297 CA ARG A 30 0.953 4.686 -5.583 1.00 0.43 C ATOM 298 C ARG A 30 -0.280 5.548 -5.860 1.00 0.57 C ATOM 299 O ARG A 30 -0.787 6.195 -4.948 1.00 0.68 O ATOM 300 CB ARG A 30 2.178 5.464 -6.134 1.00 0.45 C ATOM 301 CG ARG A 30 3.527 5.085 -5.499 1.00 0.42 C ATOM 302 CD ARG A 30 4.711 5.730 -6.247 1.00 0.53 C ATOM 303 NE ARG A 30 5.952 5.761 -5.444 1.00 1.13 N ATOM 304 CZ ARG A 30 6.252 6.482 -4.375 1.00 2.00 C ATOM 305 NH1 ARG A 30 5.481 7.390 -3.857 1.00 3.13 N ATOM 306 NH2 ARG A 30 7.381 6.247 -3.781 1.00 2.57 N ATOM 0 H ARG A 30 1.652 3.149 -6.834 1.00 0.35 H new ATOM 0 HA ARG A 30 1.051 4.495 -4.514 1.00 0.43 H new ATOM 0 HB2 ARG A 30 2.241 5.299 -7.210 1.00 0.45 H new ATOM 0 HB3 ARG A 30 2.010 6.530 -5.984 1.00 0.45 H new ATOM 0 HG2 ARG A 30 3.540 5.401 -4.456 1.00 0.42 H new ATOM 0 HG3 ARG A 30 3.640 4.001 -5.505 1.00 0.42 H new ATOM 0 HD2 ARG A 30 4.895 5.179 -7.169 1.00 0.53 H new ATOM 0 HD3 ARG A 30 4.443 6.748 -6.532 1.00 0.53 H new ATOM 0 HE ARG A 30 6.689 5.131 -5.762 1.00 1.13 H new ATOM 0 HH11 ARG A 30 4.573 7.588 -4.277 1.00 3.13 H new ATOM 0 HH12 ARG A 30 5.784 7.905 -3.030 1.00 3.13 H new ATOM 0 HH21 ARG A 30 8.006 5.525 -4.140 1.00 2.57 H new ATOM 0 HH22 ARG A 30 7.644 6.784 -2.955 1.00 2.57 H new ATOM 320 N LYS A 31 -0.794 5.556 -7.096 1.00 0.63 N ATOM 321 CA LYS A 31 -1.893 6.460 -7.475 1.00 0.80 C ATOM 322 C LYS A 31 -3.290 5.925 -7.172 1.00 0.85 C ATOM 323 O LYS A 31 -4.199 6.734 -6.985 1.00 0.97 O ATOM 324 CB LYS A 31 -1.707 6.966 -8.900 1.00 0.96 C ATOM 325 CG LYS A 31 -0.434 7.821 -8.901 1.00 0.96 C ATOM 326 CD LYS A 31 -0.263 8.634 -10.174 1.00 1.08 C ATOM 327 CE LYS A 31 0.926 9.537 -9.876 1.00 1.12 C ATOM 328 NZ LYS A 31 1.117 10.548 -10.937 1.00 1.37 N ATOM 0 H LYS A 31 -0.470 4.950 -7.850 1.00 0.63 H new ATOM 0 HA LYS A 31 -1.829 7.327 -6.818 1.00 0.80 H new ATOM 0 HB2 LYS A 31 -1.615 6.133 -9.597 1.00 0.96 H new ATOM 0 HB3 LYS A 31 -2.568 7.554 -9.218 1.00 0.96 H new ATOM 0 HG2 LYS A 31 -0.456 8.496 -8.046 1.00 0.96 H new ATOM 0 HG3 LYS A 31 0.432 7.172 -8.772 1.00 0.96 H new ATOM 0 HD2 LYS A 31 -0.072 7.993 -11.035 1.00 1.08 H new ATOM 0 HD3 LYS A 31 -1.158 9.214 -10.401 1.00 1.08 H new ATOM 0 HE2 LYS A 31 0.774 10.036 -8.919 1.00 1.12 H new ATOM 0 HE3 LYS A 31 1.828 8.933 -9.781 1.00 1.12 H new ATOM 0 HZ1 LYS A 31 1.935 11.146 -10.703 1.00 1.37 H new ATOM 0 HZ2 LYS A 31 1.286 10.070 -11.845 1.00 1.37 H new ATOM 0 HZ3 LYS A 31 0.265 11.140 -11.010 1.00 1.37 H new ATOM 342 N SER A 32 -3.454 4.607 -7.008 1.00 0.82 N ATOM 343 CA SER A 32 -4.645 4.064 -6.333 1.00 0.89 C ATOM 344 C SER A 32 -4.684 4.473 -4.853 1.00 0.78 C ATOM 345 O SER A 32 -5.740 4.860 -4.346 1.00 1.11 O ATOM 346 CB SER A 32 -4.727 2.542 -6.440 1.00 0.97 C ATOM 347 OG SER A 32 -6.014 2.172 -5.980 1.00 1.38 O ATOM 0 H SER A 32 -2.789 3.903 -7.327 1.00 0.82 H new ATOM 0 HA SER A 32 -5.507 4.490 -6.847 1.00 0.89 H new ATOM 0 HB2 SER A 32 -4.576 2.217 -7.469 1.00 0.97 H new ATOM 0 HB3 SER A 32 -3.950 2.069 -5.839 1.00 0.97 H new ATOM 0 HG SER A 32 -6.113 1.198 -6.032 1.00 1.38 H new ATOM 353 N LEU A 33 -3.525 4.449 -4.179 1.00 0.50 N ATOM 354 CA LEU A 33 -3.383 4.802 -2.763 1.00 0.50 C ATOM 355 C LEU A 33 -3.552 6.305 -2.485 1.00 0.49 C ATOM 356 O LEU A 33 -4.184 6.684 -1.500 1.00 0.52 O ATOM 357 CB LEU A 33 -1.968 4.395 -2.301 1.00 0.60 C ATOM 358 CG LEU A 33 -1.639 2.893 -2.295 1.00 0.49 C ATOM 359 CD1 LEU A 33 -0.131 2.616 -2.338 1.00 0.78 C ATOM 360 CD2 LEU A 33 -2.109 2.299 -0.987 1.00 0.46 C ATOM 0 H LEU A 33 -2.643 4.178 -4.614 1.00 0.50 H new ATOM 0 HA LEU A 33 -4.172 4.277 -2.224 1.00 0.50 H new ATOM 0 HB2 LEU A 33 -1.245 4.897 -2.943 1.00 0.60 H new ATOM 0 HB3 LEU A 33 -1.818 4.778 -1.292 1.00 0.60 H new ATOM 0 HG LEU A 33 -2.122 2.468 -3.174 1.00 0.49 H new ATOM 0 HD11 LEU A 33 0.042 1.540 -2.332 1.00 0.78 H new ATOM 0 HD12 LEU A 33 0.292 3.046 -3.246 1.00 0.78 H new ATOM 0 HD13 LEU A 33 0.346 3.065 -1.467 1.00 0.78 H new ATOM 0 HD21 LEU A 33 -1.882 1.233 -0.969 1.00 0.46 H new ATOM 0 HD22 LEU A 33 -1.600 2.793 -0.159 1.00 0.46 H new ATOM 0 HD23 LEU A 33 -3.185 2.442 -0.888 1.00 0.46 H new ATOM 372 N GLN A 34 -3.011 7.165 -3.351 1.00 0.60 N ATOM 373 CA GLN A 34 -2.923 8.593 -3.113 1.00 0.88 C ATOM 374 C GLN A 34 -4.300 9.242 -3.278 1.00 0.91 C ATOM 375 O GLN A 34 -5.055 8.925 -4.202 1.00 0.93 O ATOM 376 CB GLN A 34 -1.822 9.131 -4.033 1.00 1.22 C ATOM 377 CG GLN A 34 -1.707 10.654 -4.112 1.00 1.31 C ATOM 378 CD GLN A 34 -0.358 11.063 -4.705 1.00 1.70 C ATOM 379 OE1 GLN A 34 0.450 11.730 -4.070 1.00 3.47 O ATOM 380 NE2 GLN A 34 -0.049 10.641 -5.912 1.00 1.37 N ATOM 0 H GLN A 34 -2.619 6.877 -4.247 1.00 0.60 H new ATOM 0 HA GLN A 34 -2.640 8.839 -2.090 1.00 0.88 H new ATOM 0 HB2 GLN A 34 -0.866 8.730 -3.697 1.00 1.22 H new ATOM 0 HB3 GLN A 34 -1.994 8.746 -5.038 1.00 1.22 H new ATOM 0 HG2 GLN A 34 -2.515 11.054 -4.724 1.00 1.31 H new ATOM 0 HG3 GLN A 34 -1.818 11.084 -3.117 1.00 1.31 H new ATOM 0 HE21 GLN A 34 -0.718 10.085 -6.445 1.00 1.37 H new ATOM 0 HE22 GLN A 34 0.860 10.869 -6.315 1.00 1.37 H new ATOM 389 N GLY A 35 -4.643 10.138 -2.359 1.00 0.96 N ATOM 390 CA GLY A 35 -5.914 10.862 -2.342 1.00 1.04 C ATOM 391 C GLY A 35 -7.149 10.027 -1.969 1.00 0.84 C ATOM 392 O GLY A 35 -8.268 10.530 -2.104 1.00 1.11 O ATOM 0 H GLY A 35 -4.030 10.389 -1.583 1.00 0.96 H new ATOM 0 HA2 GLY A 35 -5.831 11.689 -1.637 1.00 1.04 H new ATOM 0 HA3 GLY A 35 -6.077 11.298 -3.328 1.00 1.04 H new ATOM 396 N VAL A 36 -6.999 8.776 -1.503 1.00 0.60 N ATOM 397 CA VAL A 36 -8.113 7.961 -1.018 1.00 0.82 C ATOM 398 C VAL A 36 -8.518 8.412 0.381 1.00 0.68 C ATOM 399 O VAL A 36 -7.696 8.844 1.195 1.00 0.57 O ATOM 400 CB VAL A 36 -7.842 6.453 -1.127 1.00 1.14 C ATOM 401 CG1 VAL A 36 -7.173 5.907 0.105 1.00 1.45 C ATOM 402 CG2 VAL A 36 -9.107 5.637 -1.414 1.00 1.90 C ATOM 0 H VAL A 36 -6.096 8.304 -1.454 1.00 0.60 H new ATOM 0 HA VAL A 36 -8.968 8.125 -1.673 1.00 0.82 H new ATOM 0 HB VAL A 36 -7.168 6.349 -1.977 1.00 1.14 H new ATOM 0 HG11 VAL A 36 -7.001 4.838 -0.018 1.00 1.45 H new ATOM 0 HG12 VAL A 36 -6.219 6.413 0.256 1.00 1.45 H new ATOM 0 HG13 VAL A 36 -7.813 6.075 0.971 1.00 1.45 H new ATOM 0 HG21 VAL A 36 -8.851 4.580 -1.480 1.00 1.90 H new ATOM 0 HG22 VAL A 36 -9.827 5.787 -0.609 1.00 1.90 H new ATOM 0 HG23 VAL A 36 -9.544 5.964 -2.357 1.00 1.90 H new ATOM 412 N ALA A 37 -9.799 8.261 0.662 1.00 0.81 N ATOM 413 CA ALA A 37 -10.376 8.466 1.984 1.00 0.89 C ATOM 414 C ALA A 37 -9.730 7.501 2.997 1.00 0.98 C ATOM 415 O ALA A 37 -9.852 6.280 2.872 1.00 1.22 O ATOM 416 CB ALA A 37 -11.898 8.291 1.895 1.00 1.14 C ATOM 0 H ALA A 37 -10.487 7.985 -0.039 1.00 0.81 H new ATOM 0 HA ALA A 37 -10.173 9.477 2.337 1.00 0.89 H new ATOM 0 HB1 ALA A 37 -12.340 8.442 2.880 1.00 1.14 H new ATOM 0 HB2 ALA A 37 -12.308 9.021 1.197 1.00 1.14 H new ATOM 0 HB3 ALA A 37 -12.129 7.285 1.545 1.00 1.14 H new ATOM 422 N GLY A 38 -9.024 8.051 3.987 1.00 0.92 N ATOM 423 CA GLY A 38 -8.376 7.322 5.077 1.00 1.00 C ATOM 424 C GLY A 38 -6.861 7.151 4.930 1.00 0.83 C ATOM 425 O GLY A 38 -6.203 6.876 5.933 1.00 0.55 O ATOM 0 H GLY A 38 -8.883 9.059 4.053 1.00 0.92 H new ATOM 0 HA2 GLY A 38 -8.579 7.842 6.013 1.00 1.00 H new ATOM 0 HA3 GLY A 38 -8.832 6.335 5.156 1.00 1.00 H new ATOM 429 N VAL A 39 -6.265 7.356 3.746 1.00 0.99 N ATOM 430 CA VAL A 39 -4.807 7.565 3.618 1.00 0.76 C ATOM 431 C VAL A 39 -4.443 9.024 3.918 1.00 0.79 C ATOM 432 O VAL A 39 -5.201 9.943 3.596 1.00 1.02 O ATOM 433 CB VAL A 39 -4.325 7.148 2.219 1.00 0.72 C ATOM 434 CG1 VAL A 39 -2.871 7.521 1.899 1.00 1.68 C ATOM 435 CG2 VAL A 39 -4.432 5.621 2.075 1.00 1.77 C ATOM 0 H VAL A 39 -6.768 7.382 2.859 1.00 0.99 H new ATOM 0 HA VAL A 39 -4.300 6.937 4.350 1.00 0.76 H new ATOM 0 HB VAL A 39 -4.967 7.693 1.527 1.00 0.72 H new ATOM 0 HG11 VAL A 39 -2.623 7.186 0.892 1.00 1.68 H new ATOM 0 HG12 VAL A 39 -2.750 8.602 1.962 1.00 1.68 H new ATOM 0 HG13 VAL A 39 -2.206 7.039 2.616 1.00 1.68 H new ATOM 0 HG21 VAL A 39 -4.090 5.324 1.083 1.00 1.77 H new ATOM 0 HG22 VAL A 39 -3.812 5.140 2.831 1.00 1.77 H new ATOM 0 HG23 VAL A 39 -5.470 5.315 2.208 1.00 1.77 H new ATOM 445 N GLN A 40 -3.283 9.231 4.542 1.00 0.69 N ATOM 446 CA GLN A 40 -2.617 10.523 4.709 1.00 0.74 C ATOM 447 C GLN A 40 -1.329 10.653 3.880 1.00 0.59 C ATOM 448 O GLN A 40 -1.080 11.706 3.298 1.00 0.63 O ATOM 449 CB GLN A 40 -2.375 10.712 6.210 1.00 0.89 C ATOM 450 CG GLN A 40 -3.651 11.200 6.905 1.00 1.24 C ATOM 451 CD GLN A 40 -3.902 12.686 6.665 1.00 2.30 C ATOM 452 OE1 GLN A 40 -4.532 13.115 5.703 1.00 3.97 O ATOM 453 NE2 GLN A 40 -3.346 13.525 7.502 1.00 2.01 N ATOM 0 H GLN A 40 -2.757 8.466 4.965 1.00 0.69 H new ATOM 0 HA GLN A 40 -3.254 11.319 4.324 1.00 0.74 H new ATOM 0 HB2 GLN A 40 -2.051 9.770 6.653 1.00 0.89 H new ATOM 0 HB3 GLN A 40 -1.571 11.431 6.367 1.00 0.89 H new ATOM 0 HG2 GLN A 40 -4.503 10.625 6.542 1.00 1.24 H new ATOM 0 HG3 GLN A 40 -3.574 11.014 7.976 1.00 1.24 H new ATOM 0 HE21 GLN A 40 -2.821 13.174 8.303 1.00 2.01 H new ATOM 0 HE22 GLN A 40 -3.437 14.530 7.353 1.00 2.01 H new ATOM 462 N ASP A 41 -0.522 9.593 3.795 1.00 0.51 N ATOM 463 CA ASP A 41 0.699 9.534 2.982 1.00 0.52 C ATOM 464 C ASP A 41 1.074 8.091 2.623 1.00 0.36 C ATOM 465 O ASP A 41 0.584 7.117 3.196 1.00 0.29 O ATOM 466 CB ASP A 41 1.888 10.167 3.729 1.00 0.61 C ATOM 467 CG ASP A 41 2.139 11.626 3.351 1.00 1.07 C ATOM 468 OD1 ASP A 41 2.515 11.887 2.182 1.00 2.27 O ATOM 469 OD2 ASP A 41 2.066 12.498 4.248 1.00 1.51 O ATOM 0 H ASP A 41 -0.703 8.727 4.303 1.00 0.51 H new ATOM 0 HA ASP A 41 0.489 10.090 2.068 1.00 0.52 H new ATOM 0 HB2 ASP A 41 1.708 10.104 4.802 1.00 0.61 H new ATOM 0 HB3 ASP A 41 2.787 9.587 3.522 1.00 0.61 H new ATOM 474 N VAL A 42 2.020 7.987 1.698 1.00 0.32 N ATOM 475 CA VAL A 42 2.612 6.745 1.191 1.00 0.29 C ATOM 476 C VAL A 42 4.103 6.899 0.904 1.00 0.32 C ATOM 477 O VAL A 42 4.597 7.979 0.562 1.00 0.38 O ATOM 478 CB VAL A 42 1.919 6.268 -0.104 1.00 0.42 C ATOM 479 CG1 VAL A 42 0.526 5.721 0.191 1.00 0.86 C ATOM 480 CG2 VAL A 42 1.798 7.334 -1.210 1.00 0.54 C ATOM 0 H VAL A 42 2.421 8.812 1.253 1.00 0.32 H new ATOM 0 HA VAL A 42 2.468 6.006 1.979 1.00 0.29 H new ATOM 0 HB VAL A 42 2.578 5.488 -0.485 1.00 0.42 H new ATOM 0 HG11 VAL A 42 0.060 5.392 -0.738 1.00 0.86 H new ATOM 0 HG12 VAL A 42 0.604 4.877 0.876 1.00 0.86 H new ATOM 0 HG13 VAL A 42 -0.083 6.502 0.645 1.00 0.86 H new ATOM 0 HG21 VAL A 42 1.298 6.903 -2.078 1.00 0.54 H new ATOM 0 HG22 VAL A 42 1.217 8.179 -0.839 1.00 0.54 H new ATOM 0 HG23 VAL A 42 2.793 7.675 -1.497 1.00 0.54 H new ATOM 490 N GLU A 43 4.828 5.789 0.964 1.00 0.37 N ATOM 491 CA GLU A 43 6.115 5.600 0.335 1.00 0.40 C ATOM 492 C GLU A 43 6.161 4.204 -0.301 1.00 0.42 C ATOM 493 O GLU A 43 5.650 3.241 0.266 1.00 0.60 O ATOM 494 CB GLU A 43 7.171 5.792 1.407 1.00 0.43 C ATOM 495 CG GLU A 43 8.564 5.700 0.829 1.00 0.55 C ATOM 496 CD GLU A 43 8.865 6.827 -0.162 1.00 2.01 C ATOM 497 OE1 GLU A 43 8.581 6.652 -1.369 1.00 3.75 O ATOM 498 OE2 GLU A 43 9.378 7.897 0.244 1.00 2.49 O ATOM 0 H GLU A 43 4.515 4.964 1.476 1.00 0.37 H new ATOM 0 HA GLU A 43 6.296 6.317 -0.465 1.00 0.40 H new ATOM 0 HB2 GLU A 43 7.036 6.763 1.883 1.00 0.43 H new ATOM 0 HB3 GLU A 43 7.046 5.036 2.183 1.00 0.43 H new ATOM 0 HG2 GLU A 43 9.292 5.729 1.639 1.00 0.55 H new ATOM 0 HG3 GLU A 43 8.683 4.739 0.328 1.00 0.55 H new ATOM 505 N VAL A 44 6.773 4.072 -1.475 1.00 0.40 N ATOM 506 CA VAL A 44 6.939 2.782 -2.159 1.00 0.36 C ATOM 507 C VAL A 44 8.413 2.460 -2.330 1.00 0.39 C ATOM 508 O VAL A 44 9.233 3.334 -2.610 1.00 0.59 O ATOM 509 CB VAL A 44 6.131 2.725 -3.472 1.00 0.45 C ATOM 510 CG1 VAL A 44 6.561 1.619 -4.433 1.00 1.35 C ATOM 511 CG2 VAL A 44 4.675 2.416 -3.151 1.00 1.57 C ATOM 0 H VAL A 44 7.172 4.859 -1.986 1.00 0.40 H new ATOM 0 HA VAL A 44 6.520 1.993 -1.534 1.00 0.36 H new ATOM 0 HB VAL A 44 6.295 3.694 -3.943 1.00 0.45 H new ATOM 0 HG11 VAL A 44 5.940 1.653 -5.328 1.00 1.35 H new ATOM 0 HG12 VAL A 44 7.605 1.763 -4.710 1.00 1.35 H new ATOM 0 HG13 VAL A 44 6.445 0.650 -3.948 1.00 1.35 H new ATOM 0 HG21 VAL A 44 4.099 2.375 -4.076 1.00 1.57 H new ATOM 0 HG22 VAL A 44 4.611 1.455 -2.640 1.00 1.57 H new ATOM 0 HG23 VAL A 44 4.271 3.197 -2.507 1.00 1.57 H new ATOM 521 N HIS A 45 8.738 1.188 -2.124 1.00 0.33 N ATOM 522 CA HIS A 45 10.056 0.623 -2.371 1.00 0.32 C ATOM 523 C HIS A 45 9.969 -0.526 -3.380 1.00 0.29 C ATOM 524 O HIS A 45 9.831 -1.695 -3.010 1.00 0.32 O ATOM 525 CB HIS A 45 10.658 0.149 -1.046 1.00 0.42 C ATOM 526 CG HIS A 45 11.076 1.236 -0.090 1.00 0.48 C ATOM 527 ND1 HIS A 45 12.379 1.564 0.205 1.00 0.61 N ATOM 528 CD2 HIS A 45 10.273 2.026 0.689 1.00 0.53 C ATOM 529 CE1 HIS A 45 12.371 2.525 1.140 1.00 0.72 C ATOM 530 NE2 HIS A 45 11.105 2.859 1.452 1.00 0.68 N ATOM 0 H HIS A 45 8.070 0.503 -1.770 1.00 0.33 H new ATOM 0 HA HIS A 45 10.704 1.387 -2.800 1.00 0.32 H new ATOM 0 HB2 HIS A 45 9.930 -0.489 -0.545 1.00 0.42 H new ATOM 0 HB3 HIS A 45 11.528 -0.471 -1.265 1.00 0.42 H new ATOM 0 HD2 HIS A 45 9.193 2.011 0.712 1.00 0.53 H new ATOM 0 HE1 HIS A 45 13.253 2.967 1.579 1.00 0.72 H new ATOM 0 HE2 HIS A 45 10.809 3.577 2.113 1.00 0.68 H new ATOM 538 N LEU A 46 10.062 -0.203 -4.670 1.00 0.31 N ATOM 539 CA LEU A 46 10.024 -1.179 -5.762 1.00 0.37 C ATOM 540 C LEU A 46 11.178 -2.183 -5.678 1.00 0.43 C ATOM 541 O LEU A 46 11.013 -3.367 -5.976 1.00 0.58 O ATOM 542 CB LEU A 46 10.088 -0.373 -7.068 1.00 0.48 C ATOM 543 CG LEU A 46 9.778 -1.100 -8.389 1.00 0.74 C ATOM 544 CD1 LEU A 46 10.999 -1.776 -8.989 1.00 1.37 C ATOM 545 CD2 LEU A 46 8.639 -2.114 -8.288 1.00 1.01 C ATOM 0 H LEU A 46 10.168 0.759 -4.992 1.00 0.31 H new ATOM 0 HA LEU A 46 9.112 -1.774 -5.706 1.00 0.37 H new ATOM 0 HB2 LEU A 46 9.394 0.463 -6.977 1.00 0.48 H new ATOM 0 HB3 LEU A 46 11.089 0.051 -7.149 1.00 0.48 H new ATOM 0 HG LEU A 46 9.451 -0.301 -9.054 1.00 0.74 H new ATOM 0 HD11 LEU A 46 10.720 -2.272 -9.919 1.00 1.37 H new ATOM 0 HD12 LEU A 46 11.766 -1.028 -9.193 1.00 1.37 H new ATOM 0 HD13 LEU A 46 11.389 -2.513 -8.287 1.00 1.37 H new ATOM 0 HD21 LEU A 46 8.482 -2.583 -9.259 1.00 1.01 H new ATOM 0 HD22 LEU A 46 8.896 -2.877 -7.554 1.00 1.01 H new ATOM 0 HD23 LEU A 46 7.726 -1.606 -7.979 1.00 1.01 H new ATOM 557 N GLU A 47 12.342 -1.730 -5.215 1.00 0.46 N ATOM 558 CA GLU A 47 13.520 -2.600 -5.064 1.00 0.69 C ATOM 559 C GLU A 47 13.395 -3.593 -3.897 1.00 0.71 C ATOM 560 O GLU A 47 14.047 -4.637 -3.932 1.00 1.09 O ATOM 561 CB GLU A 47 14.832 -1.793 -5.021 1.00 0.95 C ATOM 562 CG GLU A 47 15.074 -1.034 -6.338 1.00 1.25 C ATOM 563 CD GLU A 47 16.471 -0.403 -6.403 1.00 2.09 C ATOM 564 OE1 GLU A 47 17.477 -1.155 -6.480 1.00 3.55 O ATOM 565 OE2 GLU A 47 16.575 0.850 -6.408 1.00 2.27 O ATOM 0 H GLU A 47 12.500 -0.762 -4.935 1.00 0.46 H new ATOM 0 HA GLU A 47 13.559 -3.216 -5.963 1.00 0.69 H new ATOM 0 HB2 GLU A 47 14.797 -1.085 -4.193 1.00 0.95 H new ATOM 0 HB3 GLU A 47 15.668 -2.466 -4.829 1.00 0.95 H new ATOM 0 HG2 GLU A 47 14.949 -1.719 -7.177 1.00 1.25 H new ATOM 0 HG3 GLU A 47 14.321 -0.254 -6.448 1.00 1.25 H new ATOM 572 N ASP A 48 12.506 -3.355 -2.927 1.00 0.44 N ATOM 573 CA ASP A 48 12.113 -4.302 -1.892 1.00 0.40 C ATOM 574 C ASP A 48 10.780 -5.020 -2.198 1.00 0.31 C ATOM 575 O ASP A 48 10.369 -5.886 -1.425 1.00 0.37 O ATOM 576 CB ASP A 48 11.992 -3.503 -0.587 1.00 0.56 C ATOM 577 CG ASP A 48 13.316 -3.332 0.157 1.00 1.54 C ATOM 578 OD1 ASP A 48 14.106 -2.421 -0.189 1.00 2.75 O ATOM 579 OD2 ASP A 48 13.557 -4.086 1.130 1.00 1.76 O ATOM 0 H ASP A 48 12.024 -2.460 -2.843 1.00 0.44 H new ATOM 0 HA ASP A 48 12.863 -5.090 -1.827 1.00 0.40 H new ATOM 0 HB2 ASP A 48 11.582 -2.518 -0.812 1.00 0.56 H new ATOM 0 HB3 ASP A 48 11.279 -4.003 0.069 1.00 0.56 H new ATOM 584 N GLN A 49 10.074 -4.639 -3.276 1.00 0.25 N ATOM 585 CA GLN A 49 8.659 -4.970 -3.532 1.00 0.24 C ATOM 586 C GLN A 49 7.742 -4.662 -2.329 1.00 0.25 C ATOM 587 O GLN A 49 6.792 -5.395 -2.039 1.00 0.33 O ATOM 588 CB GLN A 49 8.509 -6.416 -4.046 1.00 0.32 C ATOM 589 CG GLN A 49 9.489 -6.830 -5.160 1.00 0.38 C ATOM 590 CD GLN A 49 10.744 -7.575 -4.694 1.00 1.37 C ATOM 591 OE1 GLN A 49 10.787 -8.275 -3.683 1.00 1.82 O ATOM 592 NE2 GLN A 49 11.803 -7.520 -5.470 1.00 2.35 N ATOM 0 H GLN A 49 10.485 -4.073 -4.019 1.00 0.25 H new ATOM 0 HA GLN A 49 8.315 -4.310 -4.328 1.00 0.24 H new ATOM 0 HB2 GLN A 49 8.635 -7.097 -3.204 1.00 0.32 H new ATOM 0 HB3 GLN A 49 7.492 -6.548 -4.414 1.00 0.32 H new ATOM 0 HG2 GLN A 49 8.957 -7.461 -5.871 1.00 0.38 H new ATOM 0 HG3 GLN A 49 9.799 -5.934 -5.698 1.00 0.38 H new ATOM 0 HE21 GLN A 49 11.788 -6.946 -6.313 1.00 2.35 H new ATOM 0 HE22 GLN A 49 12.640 -8.052 -5.229 1.00 2.35 H new ATOM 601 N MET A 50 8.043 -3.573 -1.613 1.00 0.27 N ATOM 602 CA MET A 50 7.414 -3.198 -0.346 1.00 0.30 C ATOM 603 C MET A 50 6.717 -1.836 -0.431 1.00 0.35 C ATOM 604 O MET A 50 7.144 -0.946 -1.169 1.00 0.40 O ATOM 605 CB MET A 50 8.462 -3.236 0.778 1.00 0.41 C ATOM 606 CG MET A 50 7.873 -2.952 2.171 1.00 0.56 C ATOM 607 SD MET A 50 8.638 -3.867 3.535 1.00 1.13 S ATOM 608 CE MET A 50 7.985 -5.520 3.177 1.00 0.91 C ATOM 0 H MET A 50 8.756 -2.907 -1.912 1.00 0.27 H new ATOM 0 HA MET A 50 6.632 -3.922 -0.120 1.00 0.30 H new ATOM 0 HB2 MET A 50 8.940 -4.216 0.786 1.00 0.41 H new ATOM 0 HB3 MET A 50 9.240 -2.503 0.564 1.00 0.41 H new ATOM 0 HG2 MET A 50 7.963 -1.885 2.375 1.00 0.56 H new ATOM 0 HG3 MET A 50 6.808 -3.184 2.152 1.00 0.56 H new ATOM 0 HE1 MET A 50 8.172 -6.177 4.026 1.00 0.91 H new ATOM 0 HE2 MET A 50 6.912 -5.456 2.997 1.00 0.91 H new ATOM 0 HE3 MET A 50 8.478 -5.922 2.292 1.00 0.91 H new ATOM 618 N VAL A 51 5.648 -1.655 0.346 1.00 0.36 N ATOM 619 CA VAL A 51 4.849 -0.427 0.376 1.00 0.40 C ATOM 620 C VAL A 51 4.552 0.011 1.805 1.00 0.39 C ATOM 621 O VAL A 51 4.142 -0.807 2.628 1.00 0.51 O ATOM 622 CB VAL A 51 3.531 -0.595 -0.406 1.00 0.44 C ATOM 623 CG1 VAL A 51 2.947 0.786 -0.696 1.00 0.69 C ATOM 624 CG2 VAL A 51 3.717 -1.322 -1.741 1.00 0.71 C ATOM 0 H VAL A 51 5.306 -2.372 0.985 1.00 0.36 H new ATOM 0 HA VAL A 51 5.443 0.349 -0.107 1.00 0.40 H new ATOM 0 HB VAL A 51 2.867 -1.197 0.214 1.00 0.44 H new ATOM 0 HG11 VAL A 51 2.014 0.678 -1.249 1.00 0.69 H new ATOM 0 HG12 VAL A 51 2.754 1.304 0.243 1.00 0.69 H new ATOM 0 HG13 VAL A 51 3.656 1.363 -1.290 1.00 0.69 H new ATOM 0 HG21 VAL A 51 2.754 -1.410 -2.245 1.00 0.71 H new ATOM 0 HG22 VAL A 51 4.406 -0.758 -2.370 1.00 0.71 H new ATOM 0 HG23 VAL A 51 4.124 -2.317 -1.560 1.00 0.71 H new ATOM 634 N LEU A 52 4.725 1.306 2.070 1.00 0.32 N ATOM 635 CA LEU A 52 4.319 1.993 3.289 1.00 0.29 C ATOM 636 C LEU A 52 3.064 2.815 3.015 1.00 0.24 C ATOM 637 O LEU A 52 2.993 3.577 2.049 1.00 0.26 O ATOM 638 CB LEU A 52 5.421 2.925 3.819 1.00 0.32 C ATOM 639 CG LEU A 52 6.696 2.218 4.326 1.00 0.37 C ATOM 640 CD1 LEU A 52 7.692 1.880 3.211 1.00 0.95 C ATOM 641 CD2 LEU A 52 7.431 3.123 5.315 1.00 0.97 C ATOM 0 H LEU A 52 5.176 1.933 1.404 1.00 0.32 H new ATOM 0 HA LEU A 52 4.125 1.233 4.046 1.00 0.29 H new ATOM 0 HB2 LEU A 52 5.701 3.618 3.025 1.00 0.32 H new ATOM 0 HB3 LEU A 52 5.009 3.522 4.632 1.00 0.32 H new ATOM 0 HG LEU A 52 6.355 1.289 4.784 1.00 0.37 H new ATOM 0 HD11 LEU A 52 8.564 1.385 3.639 1.00 0.95 H new ATOM 0 HD12 LEU A 52 7.217 1.217 2.488 1.00 0.95 H new ATOM 0 HD13 LEU A 52 8.004 2.797 2.712 1.00 0.95 H new ATOM 0 HD21 LEU A 52 8.330 2.619 5.670 1.00 0.97 H new ATOM 0 HD22 LEU A 52 7.708 4.054 4.820 1.00 0.97 H new ATOM 0 HD23 LEU A 52 6.780 3.342 6.161 1.00 0.97 H new ATOM 653 N VAL A 53 2.090 2.679 3.905 1.00 0.21 N ATOM 654 CA VAL A 53 0.798 3.357 3.858 1.00 0.18 C ATOM 655 C VAL A 53 0.508 3.926 5.243 1.00 0.16 C ATOM 656 O VAL A 53 0.271 3.176 6.187 1.00 0.17 O ATOM 657 CB VAL A 53 -0.310 2.393 3.389 1.00 0.20 C ATOM 658 CG1 VAL A 53 -1.616 3.165 3.167 1.00 0.21 C ATOM 659 CG2 VAL A 53 0.036 1.676 2.075 1.00 0.25 C ATOM 0 H VAL A 53 2.181 2.067 4.716 1.00 0.21 H new ATOM 0 HA VAL A 53 0.825 4.172 3.135 1.00 0.18 H new ATOM 0 HB VAL A 53 -0.414 1.645 4.175 1.00 0.20 H new ATOM 0 HG11 VAL A 53 -2.394 2.477 2.836 1.00 0.21 H new ATOM 0 HG12 VAL A 53 -1.923 3.637 4.100 1.00 0.21 H new ATOM 0 HG13 VAL A 53 -1.461 3.931 2.407 1.00 0.21 H new ATOM 0 HG21 VAL A 53 -0.782 1.012 1.797 1.00 0.25 H new ATOM 0 HG22 VAL A 53 0.188 2.414 1.287 1.00 0.25 H new ATOM 0 HG23 VAL A 53 0.948 1.093 2.208 1.00 0.25 H new ATOM 669 N HIS A 54 0.547 5.251 5.356 1.00 0.16 N ATOM 670 CA HIS A 54 0.156 6.008 6.548 1.00 0.22 C ATOM 671 C HIS A 54 -1.365 6.253 6.507 1.00 0.27 C ATOM 672 O HIS A 54 -1.851 7.047 5.697 1.00 0.39 O ATOM 673 CB HIS A 54 0.959 7.320 6.621 1.00 0.30 C ATOM 674 CG HIS A 54 2.460 7.132 6.587 1.00 0.36 C ATOM 675 ND1 HIS A 54 3.327 7.260 7.651 1.00 0.51 N ATOM 676 CD2 HIS A 54 3.217 6.773 5.501 1.00 0.36 C ATOM 677 CE1 HIS A 54 4.568 6.980 7.218 1.00 0.58 C ATOM 678 NE2 HIS A 54 4.555 6.708 5.901 1.00 0.48 N ATOM 0 H HIS A 54 0.863 5.851 4.594 1.00 0.16 H new ATOM 0 HA HIS A 54 0.383 5.444 7.453 1.00 0.22 H new ATOM 0 HB2 HIS A 54 0.665 7.959 5.788 1.00 0.30 H new ATOM 0 HB3 HIS A 54 0.691 7.846 7.537 1.00 0.30 H new ATOM 0 HD2 HIS A 54 2.843 6.575 4.507 1.00 0.36 H new ATOM 0 HE1 HIS A 54 5.451 6.974 7.840 1.00 0.58 H new ATOM 0 HE2 HIS A 54 5.360 6.497 5.312 1.00 0.48 H new ATOM 686 N THR A 55 -2.135 5.528 7.324 1.00 0.24 N ATOM 687 CA THR A 55 -3.608 5.469 7.223 1.00 0.26 C ATOM 688 C THR A 55 -4.303 5.184 8.558 1.00 0.25 C ATOM 689 O THR A 55 -3.708 4.599 9.461 1.00 0.29 O ATOM 690 CB THR A 55 -4.006 4.413 6.178 1.00 0.29 C ATOM 691 OG1 THR A 55 -5.400 4.351 6.014 1.00 0.38 O ATOM 692 CG2 THR A 55 -3.538 2.993 6.491 1.00 0.28 C ATOM 0 H THR A 55 -1.757 4.959 8.082 1.00 0.24 H new ATOM 0 HA THR A 55 -3.946 6.458 6.914 1.00 0.26 H new ATOM 0 HB THR A 55 -3.502 4.752 5.273 1.00 0.29 H new ATOM 0 HG1 THR A 55 -5.797 5.212 6.261 1.00 0.38 H new ATOM 0 HG21 THR A 55 -3.865 2.319 5.699 1.00 0.28 H new ATOM 0 HG22 THR A 55 -2.450 2.975 6.557 1.00 0.28 H new ATOM 0 HG23 THR A 55 -3.964 2.670 7.441 1.00 0.28 H new ATOM 700 N THR A 56 -5.574 5.586 8.688 1.00 0.29 N ATOM 701 CA THR A 56 -6.468 5.147 9.785 1.00 0.30 C ATOM 702 C THR A 56 -7.108 3.766 9.581 1.00 0.32 C ATOM 703 O THR A 56 -7.611 3.180 10.545 1.00 0.46 O ATOM 704 CB THR A 56 -7.597 6.156 10.053 1.00 0.48 C ATOM 705 OG1 THR A 56 -8.447 6.243 8.928 1.00 0.62 O ATOM 706 CG2 THR A 56 -7.074 7.546 10.383 1.00 0.56 C ATOM 0 H THR A 56 -6.021 6.229 8.034 1.00 0.29 H new ATOM 0 HA THR A 56 -5.797 5.082 10.641 1.00 0.30 H new ATOM 0 HB THR A 56 -8.145 5.789 10.921 1.00 0.48 H new ATOM 0 HG1 THR A 56 -9.164 6.886 9.109 1.00 0.62 H new ATOM 0 HG21 THR A 56 -7.914 8.217 10.563 1.00 0.56 H new ATOM 0 HG22 THR A 56 -6.450 7.498 11.276 1.00 0.56 H new ATOM 0 HG23 THR A 56 -6.483 7.920 9.547 1.00 0.56 H new ATOM 714 N LEU A 57 -7.127 3.255 8.345 1.00 0.31 N ATOM 715 CA LEU A 57 -7.897 2.074 7.935 1.00 0.34 C ATOM 716 C LEU A 57 -7.352 0.766 8.544 1.00 0.36 C ATOM 717 O LEU A 57 -6.161 0.691 8.857 1.00 0.40 O ATOM 718 CB LEU A 57 -7.909 1.998 6.394 1.00 0.38 C ATOM 719 CG LEU A 57 -8.548 3.202 5.675 1.00 0.38 C ATOM 720 CD1 LEU A 57 -8.517 2.964 4.166 1.00 0.53 C ATOM 721 CD2 LEU A 57 -9.996 3.448 6.093 1.00 0.46 C ATOM 0 H LEU A 57 -6.591 3.664 7.579 1.00 0.31 H new ATOM 0 HA LEU A 57 -8.913 2.183 8.314 1.00 0.34 H new ATOM 0 HB2 LEU A 57 -6.882 1.892 6.045 1.00 0.38 H new ATOM 0 HB3 LEU A 57 -8.442 1.095 6.096 1.00 0.38 H new ATOM 0 HG LEU A 57 -7.967 4.081 5.955 1.00 0.38 H new ATOM 0 HD11 LEU A 57 -8.968 3.814 3.654 1.00 0.53 H new ATOM 0 HD12 LEU A 57 -7.484 2.849 3.837 1.00 0.53 H new ATOM 0 HD13 LEU A 57 -9.076 2.059 3.929 1.00 0.53 H new ATOM 0 HD21 LEU A 57 -10.390 4.309 5.552 1.00 0.46 H new ATOM 0 HD22 LEU A 57 -10.596 2.568 5.861 1.00 0.46 H new ATOM 0 HD23 LEU A 57 -10.037 3.643 7.165 1.00 0.46 H new ATOM 733 N PRO A 58 -8.176 -0.292 8.693 1.00 0.37 N ATOM 734 CA PRO A 58 -7.719 -1.595 9.177 1.00 0.39 C ATOM 735 C PRO A 58 -6.853 -2.253 8.102 1.00 0.35 C ATOM 736 O PRO A 58 -7.166 -2.130 6.916 1.00 0.35 O ATOM 737 CB PRO A 58 -8.998 -2.412 9.437 1.00 0.45 C ATOM 738 CG PRO A 58 -10.142 -1.398 9.348 1.00 0.49 C ATOM 739 CD PRO A 58 -9.574 -0.434 8.317 1.00 0.41 C ATOM 0 HA PRO A 58 -7.116 -1.521 10.082 1.00 0.39 H new ATOM 0 HB2 PRO A 58 -9.116 -3.206 8.699 1.00 0.45 H new ATOM 0 HB3 PRO A 58 -8.969 -2.889 10.417 1.00 0.45 H new ATOM 0 HG2 PRO A 58 -11.076 -1.854 9.020 1.00 0.49 H new ATOM 0 HG3 PRO A 58 -10.342 -0.913 10.303 1.00 0.49 H new ATOM 0 HD2 PRO A 58 -9.676 -0.827 7.305 1.00 0.41 H new ATOM 0 HD3 PRO A 58 -10.092 0.525 8.340 1.00 0.41 H new ATOM 747 N SER A 59 -5.800 -2.997 8.449 1.00 0.36 N ATOM 748 CA SER A 59 -4.921 -3.577 7.418 1.00 0.37 C ATOM 749 C SER A 59 -5.641 -4.567 6.490 1.00 0.37 C ATOM 750 O SER A 59 -5.265 -4.682 5.327 1.00 0.43 O ATOM 751 CB SER A 59 -3.658 -4.223 7.994 1.00 0.42 C ATOM 752 OG SER A 59 -3.523 -4.094 9.400 1.00 0.73 O ATOM 0 H SER A 59 -5.535 -3.211 9.410 1.00 0.36 H new ATOM 0 HA SER A 59 -4.615 -2.720 6.817 1.00 0.37 H new ATOM 0 HB2 SER A 59 -3.657 -5.282 7.737 1.00 0.42 H new ATOM 0 HB3 SER A 59 -2.786 -3.778 7.515 1.00 0.42 H new ATOM 0 HG SER A 59 -2.901 -4.775 9.733 1.00 0.73 H new ATOM 758 N GLN A 60 -6.726 -5.195 6.953 1.00 0.41 N ATOM 759 CA GLN A 60 -7.627 -6.020 6.140 1.00 0.51 C ATOM 760 C GLN A 60 -8.297 -5.221 5.001 1.00 0.47 C ATOM 761 O GLN A 60 -8.599 -5.771 3.937 1.00 0.52 O ATOM 762 CB GLN A 60 -8.728 -6.636 7.026 1.00 0.68 C ATOM 763 CG GLN A 60 -8.288 -7.298 8.347 1.00 0.85 C ATOM 764 CD GLN A 60 -8.363 -6.361 9.534 1.00 1.34 C ATOM 765 OE1 GLN A 60 -7.659 -5.364 9.615 1.00 2.66 O ATOM 766 NE2 GLN A 60 -9.183 -6.633 10.514 1.00 1.66 N ATOM 0 H GLN A 60 -7.010 -5.142 7.931 1.00 0.41 H new ATOM 0 HA GLN A 60 -7.014 -6.801 5.691 1.00 0.51 H new ATOM 0 HB2 GLN A 60 -9.446 -5.852 7.265 1.00 0.68 H new ATOM 0 HB3 GLN A 60 -9.257 -7.383 6.435 1.00 0.68 H new ATOM 0 HG2 GLN A 60 -8.917 -8.168 8.538 1.00 0.85 H new ATOM 0 HG3 GLN A 60 -7.266 -7.661 8.242 1.00 0.85 H new ATOM 0 HE21 GLN A 60 -9.779 -7.460 10.466 1.00 1.66 H new ATOM 0 HE22 GLN A 60 -9.228 -6.019 11.327 1.00 1.66 H new ATOM 775 N GLU A 61 -8.522 -3.917 5.207 1.00 0.43 N ATOM 776 CA GLU A 61 -9.072 -2.984 4.224 1.00 0.43 C ATOM 777 C GLU A 61 -7.992 -2.465 3.272 1.00 0.41 C ATOM 778 O GLU A 61 -8.196 -2.451 2.064 1.00 0.46 O ATOM 779 CB GLU A 61 -9.752 -1.839 4.985 1.00 0.54 C ATOM 780 CG GLU A 61 -10.693 -1.007 4.119 1.00 0.74 C ATOM 781 CD GLU A 61 -11.581 -0.039 4.917 1.00 1.31 C ATOM 782 OE1 GLU A 61 -12.024 -0.376 6.040 1.00 2.24 O ATOM 783 OE2 GLU A 61 -11.948 1.027 4.364 1.00 2.21 O ATOM 0 H GLU A 61 -8.317 -3.468 6.100 1.00 0.43 H new ATOM 0 HA GLU A 61 -9.803 -3.497 3.599 1.00 0.43 H new ATOM 0 HB2 GLU A 61 -10.313 -2.253 5.823 1.00 0.54 H new ATOM 0 HB3 GLU A 61 -8.986 -1.187 5.405 1.00 0.54 H new ATOM 0 HG2 GLU A 61 -10.102 -0.436 3.403 1.00 0.74 H new ATOM 0 HG3 GLU A 61 -11.330 -1.678 3.543 1.00 0.74 H new ATOM 790 N VAL A 62 -6.800 -2.121 3.773 1.00 0.37 N ATOM 791 CA VAL A 62 -5.678 -1.678 2.948 1.00 0.34 C ATOM 792 C VAL A 62 -5.178 -2.816 2.063 1.00 0.31 C ATOM 793 O VAL A 62 -4.916 -2.582 0.890 1.00 0.29 O ATOM 794 CB VAL A 62 -4.532 -1.129 3.815 1.00 0.32 C ATOM 795 CG1 VAL A 62 -3.571 -0.305 2.960 1.00 0.34 C ATOM 796 CG2 VAL A 62 -4.998 -0.227 4.958 1.00 0.36 C ATOM 0 H VAL A 62 -6.589 -2.144 4.771 1.00 0.37 H new ATOM 0 HA VAL A 62 -6.034 -0.870 2.308 1.00 0.34 H new ATOM 0 HB VAL A 62 -4.053 -2.009 4.243 1.00 0.32 H new ATOM 0 HG11 VAL A 62 -2.765 0.078 3.585 1.00 0.34 H new ATOM 0 HG12 VAL A 62 -3.153 -0.934 2.174 1.00 0.34 H new ATOM 0 HG13 VAL A 62 -4.109 0.530 2.510 1.00 0.34 H new ATOM 0 HG21 VAL A 62 -4.133 0.120 5.523 1.00 0.36 H new ATOM 0 HG22 VAL A 62 -5.533 0.631 4.550 1.00 0.36 H new ATOM 0 HG23 VAL A 62 -5.661 -0.788 5.617 1.00 0.36 H new ATOM 806 N GLN A 63 -5.150 -4.058 2.558 1.00 0.31 N ATOM 807 CA GLN A 63 -4.956 -5.249 1.726 1.00 0.27 C ATOM 808 C GLN A 63 -5.986 -5.291 0.601 1.00 0.36 C ATOM 809 O GLN A 63 -5.591 -5.499 -0.536 1.00 0.39 O ATOM 810 CB GLN A 63 -5.026 -6.523 2.583 1.00 0.30 C ATOM 811 CG GLN A 63 -4.736 -7.765 1.722 1.00 0.38 C ATOM 812 CD GLN A 63 -4.792 -9.062 2.519 1.00 0.60 C ATOM 813 OE1 GLN A 63 -4.276 -9.174 3.627 1.00 1.23 O ATOM 814 NE2 GLN A 63 -5.406 -10.088 1.982 1.00 1.23 N ATOM 0 H GLN A 63 -5.262 -4.266 3.550 1.00 0.31 H new ATOM 0 HA GLN A 63 -3.965 -5.198 1.275 1.00 0.27 H new ATOM 0 HB2 GLN A 63 -4.305 -6.461 3.398 1.00 0.30 H new ATOM 0 HB3 GLN A 63 -6.013 -6.610 3.037 1.00 0.30 H new ATOM 0 HG2 GLN A 63 -5.458 -7.813 0.907 1.00 0.38 H new ATOM 0 HG3 GLN A 63 -3.750 -7.665 1.268 1.00 0.38 H new ATOM 0 HE21 GLN A 63 -5.836 -10.000 1.061 1.00 1.23 H new ATOM 0 HE22 GLN A 63 -5.453 -10.974 2.485 1.00 1.23 H new ATOM 823 N ALA A 64 -7.268 -5.030 0.859 1.00 0.46 N ATOM 824 CA ALA A 64 -8.293 -5.100 -0.172 1.00 0.59 C ATOM 825 C ALA A 64 -8.213 -3.913 -1.149 1.00 0.54 C ATOM 826 O ALA A 64 -8.638 -4.029 -2.304 1.00 0.67 O ATOM 827 CB ALA A 64 -9.660 -5.143 0.520 1.00 0.75 C ATOM 0 H ALA A 64 -7.618 -4.767 1.780 1.00 0.46 H new ATOM 0 HA ALA A 64 -8.139 -5.999 -0.769 1.00 0.59 H new ATOM 0 HB1 ALA A 64 -10.447 -5.196 -0.232 1.00 0.75 H new ATOM 0 HB2 ALA A 64 -9.714 -6.021 1.164 1.00 0.75 H new ATOM 0 HB3 ALA A 64 -9.792 -4.243 1.121 1.00 0.75 H new ATOM 833 N LEU A 65 -7.639 -2.786 -0.712 1.00 0.42 N ATOM 834 CA LEU A 65 -7.329 -1.623 -1.535 1.00 0.40 C ATOM 835 C LEU A 65 -6.134 -1.889 -2.471 1.00 0.35 C ATOM 836 O LEU A 65 -6.200 -1.623 -3.669 1.00 0.45 O ATOM 837 CB LEU A 65 -7.110 -0.400 -0.635 1.00 0.42 C ATOM 838 CG LEU A 65 -8.412 0.177 -0.041 1.00 0.55 C ATOM 839 CD1 LEU A 65 -8.073 1.178 1.061 1.00 0.62 C ATOM 840 CD2 LEU A 65 -9.255 0.909 -1.087 1.00 0.64 C ATOM 0 H LEU A 65 -7.369 -2.660 0.264 1.00 0.42 H new ATOM 0 HA LEU A 65 -8.177 -1.415 -2.188 1.00 0.40 H new ATOM 0 HB2 LEU A 65 -6.441 -0.675 0.180 1.00 0.42 H new ATOM 0 HB3 LEU A 65 -6.608 0.378 -1.211 1.00 0.42 H new ATOM 0 HG LEU A 65 -8.984 -0.667 0.344 1.00 0.55 H new ATOM 0 HD11 LEU A 65 -8.994 1.584 1.479 1.00 0.62 H new ATOM 0 HD12 LEU A 65 -7.508 0.677 1.847 1.00 0.62 H new ATOM 0 HD13 LEU A 65 -7.475 1.989 0.645 1.00 0.62 H new ATOM 0 HD21 LEU A 65 -10.160 1.296 -0.619 1.00 0.64 H new ATOM 0 HD22 LEU A 65 -8.680 1.736 -1.504 1.00 0.64 H new ATOM 0 HD23 LEU A 65 -9.526 0.217 -1.884 1.00 0.64 H new ATOM 852 N LEU A 66 -5.072 -2.494 -1.935 1.00 0.28 N ATOM 853 CA LEU A 66 -3.877 -2.950 -2.656 1.00 0.28 C ATOM 854 C LEU A 66 -4.210 -4.086 -3.643 1.00 0.34 C ATOM 855 O LEU A 66 -3.846 -4.013 -4.815 1.00 0.43 O ATOM 856 CB LEU A 66 -2.827 -3.393 -1.616 1.00 0.25 C ATOM 857 CG LEU A 66 -2.229 -2.244 -0.777 1.00 0.25 C ATOM 858 CD1 LEU A 66 -1.682 -2.768 0.554 1.00 0.24 C ATOM 859 CD2 LEU A 66 -1.085 -1.559 -1.531 1.00 0.30 C ATOM 0 H LEU A 66 -5.017 -2.690 -0.936 1.00 0.28 H new ATOM 0 HA LEU A 66 -3.477 -2.133 -3.257 1.00 0.28 H new ATOM 0 HB2 LEU A 66 -3.285 -4.117 -0.942 1.00 0.25 H new ATOM 0 HB3 LEU A 66 -2.017 -3.907 -2.133 1.00 0.25 H new ATOM 0 HG LEU A 66 -3.030 -1.529 -0.591 1.00 0.25 H new ATOM 0 HD11 LEU A 66 -1.266 -1.940 1.128 1.00 0.24 H new ATOM 0 HD12 LEU A 66 -2.488 -3.233 1.121 1.00 0.24 H new ATOM 0 HD13 LEU A 66 -0.902 -3.505 0.362 1.00 0.24 H new ATOM 0 HD21 LEU A 66 -0.679 -0.752 -0.921 1.00 0.30 H new ATOM 0 HD22 LEU A 66 -0.301 -2.286 -1.741 1.00 0.30 H new ATOM 0 HD23 LEU A 66 -1.461 -1.150 -2.469 1.00 0.30 H new ATOM 871 N GLU A 67 -4.983 -5.084 -3.210 1.00 0.37 N ATOM 872 CA GLU A 67 -5.624 -6.111 -4.049 1.00 0.56 C ATOM 873 C GLU A 67 -6.501 -5.471 -5.144 1.00 0.65 C ATOM 874 O GLU A 67 -6.516 -5.926 -6.290 1.00 0.77 O ATOM 875 CB GLU A 67 -6.476 -7.028 -3.143 1.00 0.77 C ATOM 876 CG GLU A 67 -5.636 -8.060 -2.362 1.00 0.68 C ATOM 877 CD GLU A 67 -6.466 -9.085 -1.566 1.00 1.61 C ATOM 878 OE1 GLU A 67 -7.720 -9.079 -1.589 1.00 2.90 O ATOM 879 OE2 GLU A 67 -5.854 -9.969 -0.920 1.00 2.25 O ATOM 0 H GLU A 67 -5.192 -5.208 -2.219 1.00 0.37 H new ATOM 0 HA GLU A 67 -4.853 -6.695 -4.551 1.00 0.56 H new ATOM 0 HB2 GLU A 67 -7.034 -6.413 -2.436 1.00 0.77 H new ATOM 0 HB3 GLU A 67 -7.209 -7.554 -3.755 1.00 0.77 H new ATOM 0 HG2 GLU A 67 -4.996 -8.595 -3.064 1.00 0.68 H new ATOM 0 HG3 GLU A 67 -4.979 -7.529 -1.673 1.00 0.68 H new ATOM 886 N GLY A 68 -7.151 -4.349 -4.824 1.00 0.70 N ATOM 887 CA GLY A 68 -7.898 -3.487 -5.741 1.00 0.91 C ATOM 888 C GLY A 68 -7.059 -2.790 -6.822 1.00 0.96 C ATOM 889 O GLY A 68 -7.635 -2.078 -7.645 1.00 1.33 O ATOM 0 H GLY A 68 -7.171 -3.999 -3.866 1.00 0.70 H new ATOM 0 HA2 GLY A 68 -8.666 -4.086 -6.231 1.00 0.91 H new ATOM 0 HA3 GLY A 68 -8.413 -2.724 -5.157 1.00 0.91 H new ATOM 893 N THR A 69 -5.732 -2.976 -6.862 1.00 0.70 N ATOM 894 CA THR A 69 -4.854 -2.557 -7.983 1.00 0.74 C ATOM 895 C THR A 69 -4.591 -3.685 -8.998 1.00 0.80 C ATOM 896 O THR A 69 -3.790 -3.505 -9.913 1.00 0.87 O ATOM 897 CB THR A 69 -3.544 -1.899 -7.499 1.00 0.70 C ATOM 898 OG1 THR A 69 -2.680 -2.806 -6.855 1.00 0.76 O ATOM 899 CG2 THR A 69 -3.850 -0.707 -6.600 1.00 0.87 C ATOM 0 H THR A 69 -5.221 -3.430 -6.105 1.00 0.70 H new ATOM 0 HA THR A 69 -5.412 -1.789 -8.518 1.00 0.74 H new ATOM 0 HB THR A 69 -3.016 -1.550 -8.387 1.00 0.70 H new ATOM 0 HG1 THR A 69 -3.010 -2.986 -5.950 1.00 0.76 H new ATOM 0 HG21 THR A 69 -2.917 -0.254 -6.267 1.00 0.87 H new ATOM 0 HG22 THR A 69 -4.432 0.028 -7.156 1.00 0.87 H new ATOM 0 HG23 THR A 69 -4.420 -1.042 -5.734 1.00 0.87 H new ATOM 907 N GLY A 70 -5.247 -4.848 -8.860 1.00 0.82 N ATOM 908 CA GLY A 70 -5.227 -5.941 -9.849 1.00 0.92 C ATOM 909 C GLY A 70 -4.082 -6.956 -9.700 1.00 0.84 C ATOM 910 O GLY A 70 -3.792 -7.692 -10.648 1.00 1.05 O ATOM 0 H GLY A 70 -5.818 -5.061 -8.042 1.00 0.82 H new ATOM 0 HA2 GLY A 70 -6.174 -6.478 -9.789 1.00 0.92 H new ATOM 0 HA3 GLY A 70 -5.172 -5.503 -10.846 1.00 0.92 H new ATOM 914 N ARG A 71 -3.423 -6.985 -8.532 1.00 0.63 N ATOM 915 CA ARG A 71 -2.243 -7.803 -8.184 1.00 0.62 C ATOM 916 C ARG A 71 -2.326 -8.309 -6.738 1.00 0.52 C ATOM 917 O ARG A 71 -3.271 -7.985 -6.015 1.00 0.63 O ATOM 918 CB ARG A 71 -0.959 -6.978 -8.422 1.00 0.76 C ATOM 919 CG ARG A 71 -0.935 -5.660 -7.623 1.00 1.09 C ATOM 920 CD ARG A 71 0.388 -4.891 -7.728 1.00 0.85 C ATOM 921 NE ARG A 71 0.810 -4.626 -9.118 1.00 0.91 N ATOM 922 CZ ARG A 71 0.273 -3.797 -9.995 1.00 1.33 C ATOM 923 NH1 ARG A 71 -0.774 -3.071 -9.729 1.00 3.17 N ATOM 924 NH2 ARG A 71 0.794 -3.692 -11.177 1.00 1.07 N ATOM 0 H ARG A 71 -3.717 -6.399 -7.750 1.00 0.63 H new ATOM 0 HA ARG A 71 -2.218 -8.683 -8.826 1.00 0.62 H new ATOM 0 HB2 ARG A 71 -0.092 -7.579 -8.148 1.00 0.76 H new ATOM 0 HB3 ARG A 71 -0.869 -6.754 -9.485 1.00 0.76 H new ATOM 0 HG2 ARG A 71 -1.744 -5.020 -7.974 1.00 1.09 H new ATOM 0 HG3 ARG A 71 -1.134 -5.879 -6.574 1.00 1.09 H new ATOM 0 HD2 ARG A 71 0.290 -3.942 -7.200 1.00 0.85 H new ATOM 0 HD3 ARG A 71 1.169 -5.458 -7.222 1.00 0.85 H new ATOM 0 HE ARG A 71 1.622 -5.151 -9.443 1.00 0.91 H new ATOM 0 HH11 ARG A 71 -1.215 -3.129 -8.811 1.00 3.17 H new ATOM 0 HH12 ARG A 71 -1.154 -2.444 -10.439 1.00 3.17 H new ATOM 0 HH21 ARG A 71 1.613 -4.247 -11.425 1.00 1.07 H new ATOM 0 HH22 ARG A 71 0.385 -3.054 -11.860 1.00 1.07 H new ATOM 938 N GLN A 72 -1.334 -9.080 -6.299 1.00 0.48 N ATOM 939 CA GLN A 72 -1.231 -9.566 -4.919 1.00 0.47 C ATOM 940 C GLN A 72 -0.518 -8.610 -3.950 1.00 0.36 C ATOM 941 O GLN A 72 0.349 -7.816 -4.323 1.00 0.39 O ATOM 942 CB GLN A 72 -0.647 -10.992 -4.872 1.00 0.58 C ATOM 943 CG GLN A 72 -1.736 -12.075 -4.935 1.00 1.89 C ATOM 944 CD GLN A 72 -2.681 -11.970 -3.742 1.00 2.61 C ATOM 945 OE1 GLN A 72 -3.778 -11.428 -3.828 1.00 4.30 O ATOM 946 NE2 GLN A 72 -2.243 -12.357 -2.569 1.00 2.45 N ATOM 0 H GLN A 72 -0.568 -9.391 -6.897 1.00 0.48 H new ATOM 0 HA GLN A 72 -2.255 -9.604 -4.548 1.00 0.47 H new ATOM 0 HB2 GLN A 72 0.043 -11.126 -5.705 1.00 0.58 H new ATOM 0 HB3 GLN A 72 -0.069 -11.115 -3.956 1.00 0.58 H new ATOM 0 HG2 GLN A 72 -2.301 -11.974 -5.861 1.00 1.89 H new ATOM 0 HG3 GLN A 72 -1.272 -13.061 -4.951 1.00 1.89 H new ATOM 0 HE21 GLN A 72 -1.332 -12.809 -2.488 1.00 2.45 H new ATOM 0 HE22 GLN A 72 -2.813 -12.207 -1.737 1.00 2.45 H new ATOM 955 N ALA A 73 -0.929 -8.741 -2.687 1.00 0.34 N ATOM 956 CA ALA A 73 -0.583 -7.924 -1.517 1.00 0.30 C ATOM 957 C ALA A 73 -0.717 -8.753 -0.222 1.00 0.34 C ATOM 958 O ALA A 73 -1.763 -9.360 0.019 1.00 0.46 O ATOM 959 CB ALA A 73 -1.531 -6.718 -1.482 1.00 0.40 C ATOM 0 H ALA A 73 -1.572 -9.490 -2.432 1.00 0.34 H new ATOM 0 HA ALA A 73 0.451 -7.586 -1.589 1.00 0.30 H new ATOM 0 HB1 ALA A 73 -1.294 -6.094 -0.620 1.00 0.40 H new ATOM 0 HB2 ALA A 73 -1.412 -6.135 -2.396 1.00 0.40 H new ATOM 0 HB3 ALA A 73 -2.561 -7.067 -1.405 1.00 0.40 H new ATOM 965 N VAL A 74 0.330 -8.769 0.605 1.00 0.30 N ATOM 966 CA VAL A 74 0.458 -9.547 1.850 1.00 0.37 C ATOM 967 C VAL A 74 1.172 -8.699 2.896 1.00 0.34 C ATOM 968 O VAL A 74 2.229 -8.132 2.633 1.00 0.35 O ATOM 969 CB VAL A 74 1.260 -10.844 1.615 1.00 0.48 C ATOM 970 CG1 VAL A 74 1.553 -11.609 2.915 1.00 0.61 C ATOM 971 CG2 VAL A 74 0.489 -11.779 0.683 1.00 0.58 C ATOM 0 H VAL A 74 1.162 -8.209 0.418 1.00 0.30 H new ATOM 0 HA VAL A 74 -0.540 -9.817 2.194 1.00 0.37 H new ATOM 0 HB VAL A 74 2.208 -10.538 1.173 1.00 0.48 H new ATOM 0 HG11 VAL A 74 2.119 -12.512 2.686 1.00 0.61 H new ATOM 0 HG12 VAL A 74 2.134 -10.977 3.586 1.00 0.61 H new ATOM 0 HG13 VAL A 74 0.614 -11.882 3.396 1.00 0.61 H new ATOM 0 HG21 VAL A 74 1.065 -12.691 0.525 1.00 0.58 H new ATOM 0 HG22 VAL A 74 -0.472 -12.030 1.133 1.00 0.58 H new ATOM 0 HG23 VAL A 74 0.323 -11.284 -0.274 1.00 0.58 H new ATOM 981 N LEU A 75 0.606 -8.582 4.092 1.00 0.37 N ATOM 982 CA LEU A 75 1.184 -7.752 5.143 1.00 0.38 C ATOM 983 C LEU A 75 2.340 -8.421 5.898 1.00 0.40 C ATOM 984 O LEU A 75 2.295 -9.604 6.245 1.00 0.49 O ATOM 985 CB LEU A 75 0.067 -7.279 6.051 1.00 0.41 C ATOM 986 CG LEU A 75 0.476 -6.187 7.059 1.00 0.44 C ATOM 987 CD1 LEU A 75 1.377 -5.073 6.535 1.00 1.14 C ATOM 988 CD2 LEU A 75 -0.774 -5.417 7.327 1.00 0.80 C ATOM 0 H LEU A 75 -0.258 -9.054 4.359 1.00 0.37 H new ATOM 0 HA LEU A 75 1.658 -6.887 4.680 1.00 0.38 H new ATOM 0 HB2 LEU A 75 -0.748 -6.899 5.435 1.00 0.41 H new ATOM 0 HB3 LEU A 75 -0.323 -8.135 6.602 1.00 0.41 H new ATOM 0 HG LEU A 75 0.981 -6.718 7.866 1.00 0.44 H new ATOM 0 HD11 LEU A 75 1.592 -4.370 7.340 1.00 1.14 H new ATOM 0 HD12 LEU A 75 2.310 -5.502 6.169 1.00 1.14 H new ATOM 0 HD13 LEU A 75 0.874 -4.551 5.721 1.00 1.14 H new ATOM 0 HD21 LEU A 75 -0.564 -4.618 8.039 1.00 0.80 H new ATOM 0 HD22 LEU A 75 -1.142 -4.986 6.396 1.00 0.80 H new ATOM 0 HD23 LEU A 75 -1.530 -6.083 7.742 1.00 0.80 H new ATOM 1000 N LYS A 76 3.357 -7.601 6.177 1.00 0.35 N ATOM 1001 CA LYS A 76 4.584 -7.975 6.897 1.00 0.36 C ATOM 1002 C LYS A 76 4.671 -7.391 8.317 1.00 0.41 C ATOM 1003 O LYS A 76 5.210 -8.039 9.212 1.00 0.51 O ATOM 1004 CB LYS A 76 5.807 -7.634 6.026 1.00 0.40 C ATOM 1005 CG LYS A 76 5.878 -8.400 4.689 1.00 0.52 C ATOM 1006 CD LYS A 76 6.006 -9.919 4.872 1.00 0.64 C ATOM 1007 CE LYS A 76 6.296 -10.620 3.542 1.00 1.83 C ATOM 1008 NZ LYS A 76 6.622 -12.054 3.723 1.00 1.92 N ATOM 0 H LYS A 76 3.351 -6.620 5.898 1.00 0.35 H new ATOM 0 HA LYS A 76 4.563 -9.052 7.063 1.00 0.36 H new ATOM 0 HB2 LYS A 76 5.800 -6.564 5.817 1.00 0.40 H new ATOM 0 HB3 LYS A 76 6.712 -7.841 6.597 1.00 0.40 H new ATOM 0 HG2 LYS A 76 4.983 -8.184 4.105 1.00 0.52 H new ATOM 0 HG3 LYS A 76 6.729 -8.036 4.113 1.00 0.52 H new ATOM 0 HD2 LYS A 76 6.805 -10.135 5.581 1.00 0.64 H new ATOM 0 HD3 LYS A 76 5.085 -10.314 5.300 1.00 0.64 H new ATOM 0 HE2 LYS A 76 5.429 -10.526 2.888 1.00 1.83 H new ATOM 0 HE3 LYS A 76 7.127 -10.121 3.044 1.00 1.83 H new ATOM 0 HZ1 LYS A 76 6.811 -12.487 2.796 1.00 1.92 H new ATOM 0 HZ2 LYS A 76 7.465 -12.145 4.326 1.00 1.92 H new ATOM 0 HZ3 LYS A 76 5.820 -12.538 4.174 1.00 1.92 H new ATOM 1022 N GLY A 77 4.067 -6.226 8.550 1.00 0.38 N ATOM 1023 CA GLY A 77 3.715 -5.702 9.867 1.00 0.37 C ATOM 1024 C GLY A 77 3.501 -4.190 9.856 1.00 0.43 C ATOM 1025 O GLY A 77 3.191 -3.598 8.822 1.00 0.43 O ATOM 0 H GLY A 77 3.799 -5.596 7.794 1.00 0.38 H new ATOM 0 HA2 GLY A 77 2.807 -6.192 10.219 1.00 0.37 H new ATOM 0 HA3 GLY A 77 4.505 -5.949 10.576 1.00 0.37 H new ATOM 1029 N MET A 78 3.640 -3.566 11.021 1.00 0.61 N ATOM 1030 CA MET A 78 3.342 -2.159 11.260 1.00 0.61 C ATOM 1031 C MET A 78 4.626 -1.340 11.453 1.00 0.71 C ATOM 1032 O MET A 78 5.442 -1.610 12.341 1.00 1.02 O ATOM 1033 CB MET A 78 2.381 -2.042 12.448 1.00 0.69 C ATOM 1034 CG MET A 78 0.992 -2.609 12.111 1.00 0.78 C ATOM 1035 SD MET A 78 0.827 -4.412 12.239 1.00 1.27 S ATOM 1036 CE MET A 78 -0.818 -4.601 11.516 1.00 1.10 C ATOM 0 H MET A 78 3.976 -4.045 11.856 1.00 0.61 H new ATOM 0 HA MET A 78 2.850 -1.737 10.384 1.00 0.61 H new ATOM 0 HB2 MET A 78 2.794 -2.575 13.305 1.00 0.69 H new ATOM 0 HB3 MET A 78 2.287 -0.996 12.739 1.00 0.69 H new ATOM 0 HG2 MET A 78 0.261 -2.147 12.774 1.00 0.78 H new ATOM 0 HG3 MET A 78 0.734 -2.310 11.095 1.00 0.78 H new ATOM 0 HE1 MET A 78 -1.094 -5.656 11.510 1.00 1.10 H new ATOM 0 HE2 MET A 78 -1.542 -4.040 12.107 1.00 1.10 H new ATOM 0 HE3 MET A 78 -0.812 -4.222 10.494 1.00 1.10 H new