USER MOD reduce.3.24.130724 H: found=0, std=0, add=480, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 480 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 6 THR OG1 : rot 139:sc= -0.213 USER MOD Set 1.2: A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 33 LYS NZ :NH3+ 130:sc= -0.0503 (180deg=-0.388) USER MOD Set 2.2: A 37 GLN : amide:sc= 0 K(o=-0.05,f=-3.1!) USER MOD Single : A 1 LEU N :NH3+ 146:sc= -1.89! (180deg=-4.78!) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 TYR OH : rot 114:sc= 0.879 USER MOD Single : A 9 LYS NZ :NH3+ -151:sc=-0.00757 (180deg=-0.138) USER MOD Single : A 13 ASN : amide:sc= -1.4 K(o=-1.4,f=-0.079) USER MOD Single : A 15 LYS NZ :NH3+ 130:sc= -0.0346 (180deg=-0.396) USER MOD Single : A 16 THR OG1 : rot 180:sc= -0.112 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot 180:sc= -0.0814 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot -120:sc= -0.0703 USER MOD Single : A 30 THR OG1 : rot -120:sc= 0.161 USER MOD Single : A 36 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0708) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 ASN : amide:sc=-0.00296 X(o=-0.003,f=-0.35) USER MOD Single : A 42 ASN : amide:sc= -0.25 K(o=-0.25,f=-1.9!) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 TYR OH : rot 175:sc= -0.0059 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot 180:sc= -0.147 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 -2.848 6.319 6.062 1.00 1.81 N ATOM 2 CA LEU A 1 -2.719 4.956 5.470 1.00 1.32 C ATOM 3 C LEU A 1 -2.919 5.048 3.946 1.00 1.03 C ATOM 4 O LEU A 1 -3.657 4.294 3.343 1.00 1.00 O ATOM 5 CB LEU A 1 -3.789 3.975 6.103 1.00 1.34 C ATOM 6 CG LEU A 1 -5.296 4.309 5.792 1.00 1.69 C ATOM 7 CD1 LEU A 1 -6.170 3.168 6.362 1.00 1.83 C ATOM 8 CD2 LEU A 1 -5.748 5.645 6.422 1.00 2.34 C ATOM 0 H1 LEU A 1 -3.280 6.248 7.005 1.00 1.81 H new ATOM 0 H2 LEU A 1 -1.906 6.752 6.144 1.00 1.81 H new ATOM 0 H3 LEU A 1 -3.448 6.908 5.450 1.00 1.81 H new ATOM 0 HA LEU A 1 -1.726 4.562 5.685 1.00 1.32 H new ATOM 0 HB2 LEU A 1 -3.581 2.965 5.751 1.00 1.34 H new ATOM 0 HB3 LEU A 1 -3.654 3.970 7.185 1.00 1.34 H new ATOM 0 HG LEU A 1 -5.406 4.403 4.712 1.00 1.69 H new ATOM 0 HD11 LEU A 1 -7.220 3.378 6.158 1.00 1.83 H new ATOM 0 HD12 LEU A 1 -5.890 2.225 5.891 1.00 1.83 H new ATOM 0 HD13 LEU A 1 -6.017 3.095 7.439 1.00 1.83 H new ATOM 0 HD21 LEU A 1 -6.794 5.827 6.177 1.00 2.34 H new ATOM 0 HD22 LEU A 1 -5.632 5.594 7.505 1.00 2.34 H new ATOM 0 HD23 LEU A 1 -5.137 6.458 6.030 1.00 2.34 H new ATOM 22 N THR A 2 -2.224 6.002 3.375 1.00 0.99 N ATOM 23 CA THR A 2 -2.278 6.258 1.902 1.00 0.76 C ATOM 24 C THR A 2 -0.834 6.252 1.345 1.00 0.56 C ATOM 25 O THR A 2 -0.301 7.308 1.063 1.00 0.62 O ATOM 26 CB THR A 2 -2.976 7.631 1.689 1.00 0.99 C ATOM 27 OG1 THR A 2 -4.224 7.495 2.358 1.00 1.27 O ATOM 28 CG2 THR A 2 -3.356 7.875 0.206 1.00 1.02 C ATOM 0 H THR A 2 -1.604 6.631 3.885 1.00 0.99 H new ATOM 0 HA THR A 2 -2.842 5.490 1.373 1.00 0.76 H new ATOM 0 HB THR A 2 -2.319 8.432 2.030 1.00 0.99 H new ATOM 0 HG1 THR A 2 -4.733 8.328 2.273 1.00 1.27 H new ATOM 0 HG21 THR A 2 -3.840 8.847 0.110 1.00 1.02 H new ATOM 0 HG22 THR A 2 -2.456 7.856 -0.408 1.00 1.02 H new ATOM 0 HG23 THR A 2 -4.040 7.094 -0.128 1.00 1.02 H new ATOM 36 N PRO A 3 -0.229 5.088 1.198 1.00 0.50 N ATOM 37 CA PRO A 3 1.161 4.936 0.673 1.00 0.68 C ATOM 38 C PRO A 3 1.226 5.286 -0.829 1.00 0.52 C ATOM 39 O PRO A 3 1.258 4.421 -1.683 1.00 0.91 O ATOM 40 CB PRO A 3 1.525 3.458 0.984 1.00 1.03 C ATOM 41 CG PRO A 3 0.452 3.007 2.009 1.00 0.58 C ATOM 42 CD PRO A 3 -0.799 3.756 1.539 1.00 0.52 C ATOM 0 HA PRO A 3 1.876 5.617 1.134 1.00 0.68 H new ATOM 0 HB2 PRO A 3 1.498 2.844 0.084 1.00 1.03 H new ATOM 0 HB3 PRO A 3 2.530 3.374 1.397 1.00 1.03 H new ATOM 0 HG2 PRO A 3 0.307 1.927 1.994 1.00 0.58 H new ATOM 0 HG3 PRO A 3 0.727 3.278 3.028 1.00 0.58 H new ATOM 0 HD2 PRO A 3 -1.267 3.276 0.679 1.00 0.52 H new ATOM 0 HD3 PRO A 3 -1.557 3.821 2.319 1.00 0.52 H new ATOM 50 N ALA A 4 1.240 6.568 -1.088 1.00 0.29 N ATOM 51 CA ALA A 4 1.299 7.114 -2.479 1.00 0.31 C ATOM 52 C ALA A 4 2.424 8.153 -2.567 1.00 0.24 C ATOM 53 O ALA A 4 3.039 8.491 -1.577 1.00 0.55 O ATOM 54 CB ALA A 4 -0.052 7.761 -2.808 1.00 0.67 C ATOM 0 H ALA A 4 1.212 7.286 -0.364 1.00 0.29 H new ATOM 0 HA ALA A 4 1.502 6.317 -3.194 1.00 0.31 H new ATOM 0 HB1 ALA A 4 -0.025 8.165 -3.820 1.00 0.67 H new ATOM 0 HB2 ALA A 4 -0.841 7.012 -2.736 1.00 0.67 H new ATOM 0 HB3 ALA A 4 -0.251 8.567 -2.101 1.00 0.67 H new ATOM 60 N VAL A 5 2.656 8.629 -3.760 1.00 0.29 N ATOM 61 CA VAL A 5 3.717 9.655 -4.016 1.00 0.28 C ATOM 62 C VAL A 5 2.974 10.878 -4.568 1.00 0.29 C ATOM 63 O VAL A 5 2.888 11.100 -5.762 1.00 0.49 O ATOM 64 CB VAL A 5 4.746 9.027 -5.022 1.00 0.42 C ATOM 65 CG1 VAL A 5 4.066 8.410 -6.272 1.00 0.46 C ATOM 66 CG2 VAL A 5 5.812 10.067 -5.437 1.00 0.60 C ATOM 0 H VAL A 5 2.141 8.343 -4.593 1.00 0.29 H new ATOM 0 HA VAL A 5 4.286 9.959 -3.138 1.00 0.28 H new ATOM 0 HB VAL A 5 5.237 8.208 -4.496 1.00 0.42 H new ATOM 0 HG11 VAL A 5 4.827 7.992 -6.931 1.00 0.46 H new ATOM 0 HG12 VAL A 5 3.381 7.621 -5.961 1.00 0.46 H new ATOM 0 HG13 VAL A 5 3.511 9.183 -6.803 1.00 0.46 H new ATOM 0 HG21 VAL A 5 6.514 9.610 -6.134 1.00 0.60 H new ATOM 0 HG22 VAL A 5 5.325 10.916 -5.917 1.00 0.60 H new ATOM 0 HG23 VAL A 5 6.350 10.410 -4.553 1.00 0.60 H new ATOM 76 N THR A 6 2.448 11.647 -3.646 1.00 0.24 N ATOM 77 CA THR A 6 1.679 12.874 -4.007 1.00 0.32 C ATOM 78 C THR A 6 2.192 14.100 -3.250 1.00 0.27 C ATOM 79 O THR A 6 3.053 14.015 -2.397 1.00 0.30 O ATOM 80 CB THR A 6 0.191 12.571 -3.686 1.00 0.38 C ATOM 81 OG1 THR A 6 -0.573 13.666 -4.181 1.00 0.48 O ATOM 82 CG2 THR A 6 -0.100 12.561 -2.168 1.00 0.43 C ATOM 0 H THR A 6 2.521 11.472 -2.644 1.00 0.24 H new ATOM 0 HA THR A 6 1.800 13.116 -5.063 1.00 0.32 H new ATOM 0 HB THR A 6 -0.046 11.600 -4.120 1.00 0.38 H new ATOM 0 HG1 THR A 6 -1.390 13.330 -4.605 1.00 0.48 H new ATOM 0 HG21 THR A 6 -1.155 12.344 -2.001 1.00 0.43 H new ATOM 0 HG22 THR A 6 0.508 11.796 -1.686 1.00 0.43 H new ATOM 0 HG23 THR A 6 0.141 13.536 -1.745 1.00 0.43 H new ATOM 90 N THR A 7 1.605 15.207 -3.609 1.00 0.27 N ATOM 91 CA THR A 7 1.944 16.519 -2.999 1.00 0.26 C ATOM 92 C THR A 7 0.708 16.871 -2.176 1.00 0.21 C ATOM 93 O THR A 7 -0.405 16.640 -2.610 1.00 0.35 O ATOM 94 CB THR A 7 2.183 17.543 -4.124 1.00 0.33 C ATOM 95 OG1 THR A 7 3.320 17.041 -4.818 1.00 0.55 O ATOM 96 CG2 THR A 7 2.606 18.921 -3.567 1.00 0.43 C ATOM 0 H THR A 7 0.880 15.255 -4.325 1.00 0.27 H new ATOM 0 HA THR A 7 2.845 16.506 -2.385 1.00 0.26 H new ATOM 0 HB THR A 7 1.278 17.667 -4.719 1.00 0.33 H new ATOM 0 HG1 THR A 7 3.541 17.641 -5.561 1.00 0.55 H new ATOM 0 HG21 THR A 7 2.765 19.614 -4.393 1.00 0.43 H new ATOM 0 HG22 THR A 7 1.822 19.306 -2.915 1.00 0.43 H new ATOM 0 HG23 THR A 7 3.530 18.816 -2.999 1.00 0.43 H new ATOM 104 N TYR A 8 0.938 17.418 -1.011 1.00 0.23 N ATOM 105 CA TYR A 8 -0.191 17.802 -0.122 1.00 0.24 C ATOM 106 C TYR A 8 0.003 19.285 0.128 1.00 0.25 C ATOM 107 O TYR A 8 1.081 19.817 -0.061 1.00 0.33 O ATOM 108 CB TYR A 8 -0.103 17.055 1.181 1.00 0.29 C ATOM 109 CG TYR A 8 -1.494 16.591 1.644 1.00 0.31 C ATOM 110 CD1 TYR A 8 -2.013 15.473 1.020 1.00 0.38 C ATOM 111 CD2 TYR A 8 -2.239 17.213 2.629 1.00 0.44 C ATOM 112 CE1 TYR A 8 -3.246 14.981 1.364 1.00 0.45 C ATOM 113 CE2 TYR A 8 -3.483 16.712 2.975 1.00 0.48 C ATOM 114 CZ TYR A 8 -3.991 15.592 2.341 1.00 0.45 C ATOM 115 OH TYR A 8 -5.225 15.056 2.646 1.00 0.54 O ATOM 0 H TYR A 8 1.866 17.615 -0.638 1.00 0.23 H new ATOM 0 HA TYR A 8 -1.160 17.573 -0.566 1.00 0.24 H new ATOM 0 HB2 TYR A 8 0.553 16.192 1.066 1.00 0.29 H new ATOM 0 HB3 TYR A 8 0.343 17.695 1.942 1.00 0.29 H new ATOM 0 HD1 TYR A 8 -1.439 14.979 0.250 1.00 0.38 H new ATOM 0 HD2 TYR A 8 -1.851 18.089 3.128 1.00 0.44 H new ATOM 0 HE1 TYR A 8 -3.633 14.106 0.862 1.00 0.45 H new ATOM 0 HE2 TYR A 8 -4.061 17.200 3.746 1.00 0.48 H new ATOM 0 HH TYR A 8 -5.213 14.706 3.561 1.00 0.54 H new ATOM 125 N LYS A 9 -1.057 19.891 0.565 1.00 0.24 N ATOM 126 CA LYS A 9 -1.017 21.365 0.850 1.00 0.28 C ATOM 127 C LYS A 9 -1.419 21.686 2.287 1.00 0.31 C ATOM 128 O LYS A 9 -2.205 20.966 2.863 1.00 0.39 O ATOM 129 CB LYS A 9 -1.978 22.073 -0.122 1.00 0.36 C ATOM 130 CG LYS A 9 -1.672 21.638 -1.578 1.00 0.39 C ATOM 131 CD LYS A 9 -2.605 22.350 -2.590 1.00 0.49 C ATOM 132 CE LYS A 9 -4.099 22.049 -2.319 1.00 0.74 C ATOM 133 NZ LYS A 9 -4.365 20.581 -2.277 1.00 0.92 N ATOM 0 H LYS A 9 -1.955 19.439 0.741 1.00 0.24 H new ATOM 0 HA LYS A 9 0.007 21.714 0.715 1.00 0.28 H new ATOM 0 HB2 LYS A 9 -3.010 21.828 0.130 1.00 0.36 H new ATOM 0 HB3 LYS A 9 -1.874 23.154 -0.027 1.00 0.36 H new ATOM 0 HG2 LYS A 9 -0.633 21.866 -1.816 1.00 0.39 H new ATOM 0 HG3 LYS A 9 -1.791 20.558 -1.669 1.00 0.39 H new ATOM 0 HD2 LYS A 9 -2.438 23.426 -2.541 1.00 0.49 H new ATOM 0 HD3 LYS A 9 -2.350 22.034 -3.601 1.00 0.49 H new ATOM 0 HE2 LYS A 9 -4.396 22.500 -1.372 1.00 0.74 H new ATOM 0 HE3 LYS A 9 -4.710 22.508 -3.096 1.00 0.74 H new ATOM 0 HZ1 LYS A 9 -5.342 20.396 -2.583 1.00 0.92 H new ATOM 0 HZ2 LYS A 9 -3.704 20.090 -2.913 1.00 0.92 H new ATOM 0 HZ3 LYS A 9 -4.235 20.232 -1.306 1.00 0.92 H new ATOM 147 N LEU A 10 -0.864 22.746 2.825 1.00 0.35 N ATOM 148 CA LEU A 10 -1.200 23.159 4.225 1.00 0.39 C ATOM 149 C LEU A 10 -1.525 24.664 4.255 1.00 0.37 C ATOM 150 O LEU A 10 -0.871 25.447 3.594 1.00 0.44 O ATOM 151 CB LEU A 10 0.021 22.856 5.175 1.00 0.40 C ATOM 152 CG LEU A 10 1.025 24.058 5.375 1.00 0.43 C ATOM 153 CD1 LEU A 10 0.542 25.008 6.501 1.00 0.56 C ATOM 154 CD2 LEU A 10 2.434 23.564 5.733 1.00 0.52 C ATOM 0 H LEU A 10 -0.189 23.346 2.352 1.00 0.35 H new ATOM 0 HA LEU A 10 -2.068 22.598 4.570 1.00 0.39 H new ATOM 0 HB2 LEU A 10 -0.362 22.556 6.150 1.00 0.40 H new ATOM 0 HB3 LEU A 10 0.572 22.005 4.774 1.00 0.40 H new ATOM 0 HG LEU A 10 1.059 24.594 4.426 1.00 0.43 H new ATOM 0 HD11 LEU A 10 1.253 25.826 6.616 1.00 0.56 H new ATOM 0 HD12 LEU A 10 -0.437 25.411 6.242 1.00 0.56 H new ATOM 0 HD13 LEU A 10 0.470 24.455 7.438 1.00 0.56 H new ATOM 0 HD21 LEU A 10 3.097 24.419 5.863 1.00 0.52 H new ATOM 0 HD22 LEU A 10 2.394 22.991 6.660 1.00 0.52 H new ATOM 0 HD23 LEU A 10 2.812 22.930 4.931 1.00 0.52 H new ATOM 166 N VAL A 11 -2.523 25.020 5.021 1.00 0.37 N ATOM 167 CA VAL A 11 -2.937 26.454 5.154 1.00 0.39 C ATOM 168 C VAL A 11 -2.838 26.762 6.652 1.00 0.38 C ATOM 169 O VAL A 11 -3.069 25.901 7.478 1.00 0.42 O ATOM 170 CB VAL A 11 -4.387 26.649 4.708 1.00 0.43 C ATOM 171 CG1 VAL A 11 -4.731 28.157 4.661 1.00 0.50 C ATOM 172 CG2 VAL A 11 -4.599 26.048 3.301 1.00 0.45 C ATOM 0 H VAL A 11 -3.081 24.367 5.571 1.00 0.37 H new ATOM 0 HA VAL A 11 -2.312 27.101 4.539 1.00 0.39 H new ATOM 0 HB VAL A 11 -5.036 26.144 5.424 1.00 0.43 H new ATOM 0 HG11 VAL A 11 -5.766 28.284 4.342 1.00 0.50 H new ATOM 0 HG12 VAL A 11 -4.601 28.591 5.652 1.00 0.50 H new ATOM 0 HG13 VAL A 11 -4.069 28.659 3.955 1.00 0.50 H new ATOM 0 HG21 VAL A 11 -5.635 26.194 2.996 1.00 0.45 H new ATOM 0 HG22 VAL A 11 -3.938 26.544 2.590 1.00 0.45 H new ATOM 0 HG23 VAL A 11 -4.374 24.982 3.323 1.00 0.45 H new ATOM 182 N ILE A 12 -2.508 27.982 6.971 1.00 0.40 N ATOM 183 CA ILE A 12 -2.385 28.377 8.407 1.00 0.40 C ATOM 184 C ILE A 12 -3.455 29.428 8.710 1.00 0.37 C ATOM 185 O ILE A 12 -3.805 30.229 7.864 1.00 0.46 O ATOM 186 CB ILE A 12 -0.967 28.972 8.661 1.00 0.44 C ATOM 187 CG1 ILE A 12 0.103 27.953 8.135 1.00 0.49 C ATOM 188 CG2 ILE A 12 -0.791 29.334 10.169 1.00 0.48 C ATOM 189 CD1 ILE A 12 1.475 28.093 8.817 1.00 0.57 C ATOM 0 H ILE A 12 -2.317 28.726 6.300 1.00 0.40 H new ATOM 0 HA ILE A 12 -2.523 27.510 9.053 1.00 0.40 H new ATOM 0 HB ILE A 12 -0.833 29.906 8.115 1.00 0.44 H new ATOM 0 HG12 ILE A 12 -0.267 26.939 8.287 1.00 0.49 H new ATOM 0 HG13 ILE A 12 0.225 28.090 7.061 1.00 0.49 H new ATOM 0 HG21 ILE A 12 0.204 29.748 10.330 1.00 0.48 H new ATOM 0 HG22 ILE A 12 -1.541 30.070 10.456 1.00 0.48 H new ATOM 0 HG23 ILE A 12 -0.913 28.436 10.775 1.00 0.48 H new ATOM 0 HD11 ILE A 12 2.164 27.357 8.403 1.00 0.57 H new ATOM 0 HD12 ILE A 12 1.867 29.095 8.643 1.00 0.57 H new ATOM 0 HD13 ILE A 12 1.367 27.927 9.889 1.00 0.57 H new ATOM 201 N ASN A 13 -3.934 29.375 9.924 1.00 0.33 N ATOM 202 CA ASN A 13 -4.980 30.321 10.398 1.00 0.31 C ATOM 203 C ASN A 13 -4.633 30.719 11.842 1.00 0.34 C ATOM 204 O ASN A 13 -5.268 30.295 12.790 1.00 0.40 O ATOM 205 CB ASN A 13 -6.355 29.611 10.310 1.00 0.32 C ATOM 206 CG ASN A 13 -7.513 30.553 10.693 1.00 0.41 C ATOM 207 OD1 ASN A 13 -8.655 30.142 10.749 1.00 0.50 O ATOM 208 ND2 ASN A 13 -7.288 31.812 10.961 1.00 0.51 N ATOM 0 H ASN A 13 -3.634 28.696 10.624 1.00 0.33 H new ATOM 0 HA ASN A 13 -5.025 31.224 9.789 1.00 0.31 H new ATOM 0 HB2 ASN A 13 -6.508 29.241 9.296 1.00 0.32 H new ATOM 0 HB3 ASN A 13 -6.359 28.744 10.970 1.00 0.32 H new ATOM 0 HD21 ASN A 13 -8.063 32.427 11.211 1.00 0.51 H new ATOM 0 HD22 ASN A 13 -6.338 32.180 10.921 1.00 0.51 H new ATOM 215 N GLY A 14 -3.613 31.527 11.967 1.00 0.35 N ATOM 216 CA GLY A 14 -3.165 31.998 13.311 1.00 0.44 C ATOM 217 C GLY A 14 -3.474 33.492 13.407 1.00 0.41 C ATOM 218 O GLY A 14 -4.194 34.023 12.583 1.00 0.52 O ATOM 0 H GLY A 14 -3.065 31.885 11.185 1.00 0.35 H new ATOM 0 HA2 GLY A 14 -3.680 31.450 14.100 1.00 0.44 H new ATOM 0 HA3 GLY A 14 -2.098 31.819 13.443 1.00 0.44 H new ATOM 222 N LYS A 15 -2.923 34.125 14.410 1.00 0.50 N ATOM 223 CA LYS A 15 -3.156 35.593 14.601 1.00 0.56 C ATOM 224 C LYS A 15 -1.857 36.325 14.192 1.00 0.55 C ATOM 225 O LYS A 15 -1.656 37.482 14.506 1.00 0.72 O ATOM 226 CB LYS A 15 -3.516 35.814 16.100 1.00 0.75 C ATOM 227 CG LYS A 15 -3.973 37.268 16.410 1.00 0.87 C ATOM 228 CD LYS A 15 -5.271 37.624 15.639 1.00 0.83 C ATOM 229 CE LYS A 15 -5.676 39.077 15.944 1.00 1.02 C ATOM 230 NZ LYS A 15 -4.634 40.021 15.441 1.00 1.09 N ATOM 0 H LYS A 15 -2.320 33.690 15.108 1.00 0.50 H new ATOM 0 HA LYS A 15 -3.972 35.982 13.992 1.00 0.56 H new ATOM 0 HB2 LYS A 15 -4.309 35.122 16.383 1.00 0.75 H new ATOM 0 HB3 LYS A 15 -2.649 35.573 16.715 1.00 0.75 H new ATOM 0 HG2 LYS A 15 -4.141 37.379 17.481 1.00 0.87 H new ATOM 0 HG3 LYS A 15 -3.182 37.967 16.138 1.00 0.87 H new ATOM 0 HD2 LYS A 15 -5.115 37.497 14.568 1.00 0.83 H new ATOM 0 HD3 LYS A 15 -6.074 36.945 15.927 1.00 0.83 H new ATOM 0 HE2 LYS A 15 -6.635 39.300 15.477 1.00 1.02 H new ATOM 0 HE3 LYS A 15 -5.807 39.208 17.018 1.00 1.02 H new ATOM 0 HZ1 LYS A 15 -5.086 40.767 14.875 1.00 1.09 H new ATOM 0 HZ2 LYS A 15 -4.137 40.451 16.247 1.00 1.09 H new ATOM 0 HZ3 LYS A 15 -3.953 39.503 14.850 1.00 1.09 H new ATOM 244 N THR A 16 -1.026 35.595 13.489 1.00 0.53 N ATOM 245 CA THR A 16 0.286 36.105 12.989 1.00 0.58 C ATOM 246 C THR A 16 0.337 35.911 11.470 1.00 0.54 C ATOM 247 O THR A 16 0.542 36.853 10.730 1.00 0.65 O ATOM 248 CB THR A 16 1.430 35.322 13.692 1.00 0.66 C ATOM 249 OG1 THR A 16 1.118 33.942 13.554 1.00 0.70 O ATOM 250 CG2 THR A 16 1.417 35.575 15.208 1.00 0.76 C ATOM 0 H THR A 16 -1.214 34.626 13.232 1.00 0.53 H new ATOM 0 HA THR A 16 0.405 37.165 13.212 1.00 0.58 H new ATOM 0 HB THR A 16 2.385 35.621 13.259 1.00 0.66 H new ATOM 0 HG1 THR A 16 1.816 33.404 13.983 1.00 0.70 H new ATOM 0 HG21 THR A 16 2.227 35.016 15.677 1.00 0.76 H new ATOM 0 HG22 THR A 16 1.552 36.639 15.400 1.00 0.76 H new ATOM 0 HG23 THR A 16 0.463 35.249 15.623 1.00 0.76 H new ATOM 258 N LEU A 17 0.147 34.680 11.069 1.00 0.46 N ATOM 259 CA LEU A 17 0.164 34.315 9.617 1.00 0.42 C ATOM 260 C LEU A 17 -1.156 33.648 9.190 1.00 0.41 C ATOM 261 O LEU A 17 -1.745 32.869 9.917 1.00 0.58 O ATOM 262 CB LEU A 17 1.336 33.344 9.354 1.00 0.43 C ATOM 263 CG LEU A 17 2.699 33.983 9.742 1.00 0.54 C ATOM 264 CD1 LEU A 17 3.800 32.907 9.640 1.00 0.64 C ATOM 265 CD2 LEU A 17 3.050 35.145 8.778 1.00 0.75 C ATOM 0 H LEU A 17 -0.023 33.896 11.699 1.00 0.46 H new ATOM 0 HA LEU A 17 0.287 35.228 9.034 1.00 0.42 H new ATOM 0 HB2 LEU A 17 1.186 32.427 9.925 1.00 0.43 H new ATOM 0 HB3 LEU A 17 1.350 33.065 8.300 1.00 0.43 H new ATOM 0 HG LEU A 17 2.630 34.372 10.758 1.00 0.54 H new ATOM 0 HD11 LEU A 17 4.762 33.344 9.910 1.00 0.64 H new ATOM 0 HD12 LEU A 17 3.571 32.086 10.319 1.00 0.64 H new ATOM 0 HD13 LEU A 17 3.847 32.530 8.618 1.00 0.64 H new ATOM 0 HD21 LEU A 17 4.007 35.580 9.066 1.00 0.75 H new ATOM 0 HD22 LEU A 17 3.116 34.765 7.759 1.00 0.75 H new ATOM 0 HD23 LEU A 17 2.274 35.909 8.831 1.00 0.75 H new ATOM 277 N LYS A 18 -1.575 33.997 8.001 1.00 0.36 N ATOM 278 CA LYS A 18 -2.835 33.447 7.417 1.00 0.37 C ATOM 279 C LYS A 18 -2.482 33.224 5.932 1.00 0.45 C ATOM 280 O LYS A 18 -3.040 33.835 5.042 1.00 0.55 O ATOM 281 CB LYS A 18 -3.962 34.505 7.636 1.00 0.39 C ATOM 282 CG LYS A 18 -5.366 33.834 7.652 1.00 0.43 C ATOM 283 CD LYS A 18 -5.744 33.182 6.302 1.00 0.50 C ATOM 284 CE LYS A 18 -5.997 34.257 5.225 1.00 0.61 C ATOM 285 NZ LYS A 18 -6.235 33.598 3.910 1.00 0.92 N ATOM 0 H LYS A 18 -1.084 34.656 7.396 1.00 0.36 H new ATOM 0 HA LYS A 18 -3.196 32.519 7.861 1.00 0.37 H new ATOM 0 HB2 LYS A 18 -3.795 35.029 8.577 1.00 0.39 H new ATOM 0 HB3 LYS A 18 -3.922 35.253 6.844 1.00 0.39 H new ATOM 0 HG2 LYS A 18 -5.390 33.075 8.434 1.00 0.43 H new ATOM 0 HG3 LYS A 18 -6.116 34.582 7.910 1.00 0.43 H new ATOM 0 HD2 LYS A 18 -4.943 32.517 5.977 1.00 0.50 H new ATOM 0 HD3 LYS A 18 -6.637 32.569 6.427 1.00 0.50 H new ATOM 0 HE2 LYS A 18 -6.858 34.866 5.499 1.00 0.61 H new ATOM 0 HE3 LYS A 18 -5.141 34.928 5.158 1.00 0.61 H new ATOM 0 HZ1 LYS A 18 -6.406 34.323 3.184 1.00 0.92 H new ATOM 0 HZ2 LYS A 18 -5.401 33.035 3.648 1.00 0.92 H new ATOM 0 HZ3 LYS A 18 -7.065 32.975 3.979 1.00 0.92 H new ATOM 299 N GLY A 19 -1.540 32.338 5.720 1.00 0.46 N ATOM 300 CA GLY A 19 -1.072 32.008 4.334 1.00 0.53 C ATOM 301 C GLY A 19 -1.074 30.502 4.103 1.00 0.50 C ATOM 302 O GLY A 19 -1.539 29.755 4.937 1.00 0.56 O ATOM 0 H GLY A 19 -1.067 31.820 6.460 1.00 0.46 H new ATOM 0 HA2 GLY A 19 -1.719 32.493 3.603 1.00 0.53 H new ATOM 0 HA3 GLY A 19 -0.067 32.402 4.182 1.00 0.53 H new ATOM 306 N GLU A 20 -0.559 30.106 2.967 1.00 0.48 N ATOM 307 CA GLU A 20 -0.496 28.655 2.615 1.00 0.47 C ATOM 308 C GLU A 20 0.848 28.266 1.977 1.00 0.41 C ATOM 309 O GLU A 20 1.482 29.047 1.294 1.00 0.43 O ATOM 310 CB GLU A 20 -1.664 28.315 1.641 1.00 0.54 C ATOM 311 CG GLU A 20 -1.622 29.150 0.328 1.00 0.62 C ATOM 312 CD GLU A 20 -1.808 30.654 0.614 1.00 0.69 C ATOM 313 OE1 GLU A 20 -2.867 30.989 1.122 1.00 0.75 O ATOM 314 OE2 GLU A 20 -0.877 31.382 0.313 1.00 0.85 O ATOM 0 H GLU A 20 -0.175 30.733 2.260 1.00 0.48 H new ATOM 0 HA GLU A 20 -0.590 28.082 3.537 1.00 0.47 H new ATOM 0 HB2 GLU A 20 -1.626 27.254 1.392 1.00 0.54 H new ATOM 0 HB3 GLU A 20 -2.614 28.490 2.146 1.00 0.54 H new ATOM 0 HG2 GLU A 20 -0.670 28.989 -0.178 1.00 0.62 H new ATOM 0 HG3 GLU A 20 -2.404 28.807 -0.349 1.00 0.62 H new ATOM 321 N THR A 21 1.215 27.041 2.245 1.00 0.41 N ATOM 322 CA THR A 21 2.483 26.419 1.736 1.00 0.37 C ATOM 323 C THR A 21 2.184 24.944 1.430 1.00 0.35 C ATOM 324 O THR A 21 1.144 24.453 1.815 1.00 0.46 O ATOM 325 CB THR A 21 3.606 26.536 2.814 1.00 0.41 C ATOM 326 OG1 THR A 21 3.037 26.120 4.049 1.00 0.53 O ATOM 327 CG2 THR A 21 4.021 28.003 3.047 1.00 0.53 C ATOM 0 H THR A 21 0.660 26.412 2.826 1.00 0.41 H new ATOM 0 HA THR A 21 2.829 26.929 0.837 1.00 0.37 H new ATOM 0 HB THR A 21 4.462 25.948 2.483 1.00 0.41 H new ATOM 0 HG1 THR A 21 3.713 26.177 4.756 1.00 0.53 H new ATOM 0 HG21 THR A 21 4.804 28.044 3.804 1.00 0.53 H new ATOM 0 HG22 THR A 21 4.394 28.428 2.115 1.00 0.53 H new ATOM 0 HG23 THR A 21 3.158 28.576 3.387 1.00 0.53 H new ATOM 335 N THR A 22 3.069 24.260 0.751 1.00 0.27 N ATOM 336 CA THR A 22 2.818 22.807 0.428 1.00 0.28 C ATOM 337 C THR A 22 4.094 21.956 0.613 1.00 0.31 C ATOM 338 O THR A 22 5.170 22.484 0.823 1.00 0.37 O ATOM 339 CB THR A 22 2.338 22.683 -1.046 1.00 0.27 C ATOM 340 OG1 THR A 22 3.447 23.116 -1.824 1.00 0.38 O ATOM 341 CG2 THR A 22 1.244 23.714 -1.391 1.00 0.32 C ATOM 0 H THR A 22 3.952 24.635 0.404 1.00 0.27 H new ATOM 0 HA THR A 22 2.055 22.437 1.113 1.00 0.28 H new ATOM 0 HB THR A 22 1.973 21.670 -1.216 1.00 0.27 H new ATOM 0 HG1 THR A 22 3.219 23.064 -2.776 1.00 0.38 H new ATOM 0 HG21 THR A 22 0.941 23.589 -2.430 1.00 0.32 H new ATOM 0 HG22 THR A 22 0.383 23.562 -0.741 1.00 0.32 H new ATOM 0 HG23 THR A 22 1.635 24.721 -1.246 1.00 0.32 H new ATOM 349 N THR A 23 3.923 20.658 0.526 1.00 0.33 N ATOM 350 CA THR A 23 5.070 19.696 0.673 1.00 0.43 C ATOM 351 C THR A 23 4.738 18.395 -0.070 1.00 0.37 C ATOM 352 O THR A 23 3.646 18.229 -0.567 1.00 0.36 O ATOM 353 CB THR A 23 5.318 19.400 2.189 1.00 0.58 C ATOM 354 OG1 THR A 23 6.595 18.775 2.203 1.00 0.69 O ATOM 355 CG2 THR A 23 4.402 18.280 2.755 1.00 0.62 C ATOM 0 H THR A 23 3.021 20.214 0.356 1.00 0.33 H new ATOM 0 HA THR A 23 5.973 20.133 0.247 1.00 0.43 H new ATOM 0 HB THR A 23 5.176 20.322 2.753 1.00 0.58 H new ATOM 0 HG1 THR A 23 6.515 17.876 2.585 1.00 0.69 H new ATOM 0 HG21 THR A 23 4.626 18.125 3.810 1.00 0.62 H new ATOM 0 HG22 THR A 23 3.358 18.573 2.645 1.00 0.62 H new ATOM 0 HG23 THR A 23 4.578 17.354 2.207 1.00 0.62 H new ATOM 363 N GLU A 24 5.693 17.506 -0.106 1.00 0.43 N ATOM 364 CA GLU A 24 5.509 16.187 -0.792 1.00 0.42 C ATOM 365 C GLU A 24 5.425 15.157 0.338 1.00 0.47 C ATOM 366 O GLU A 24 6.127 15.284 1.324 1.00 0.65 O ATOM 367 CB GLU A 24 6.723 15.905 -1.706 1.00 0.49 C ATOM 368 CG GLU A 24 6.777 16.915 -2.891 1.00 0.54 C ATOM 369 CD GLU A 24 6.941 18.369 -2.399 1.00 0.64 C ATOM 370 OE1 GLU A 24 7.949 18.619 -1.757 1.00 0.75 O ATOM 371 OE2 GLU A 24 6.048 19.151 -2.688 1.00 0.75 O ATOM 0 H GLU A 24 6.611 17.637 0.318 1.00 0.43 H new ATOM 0 HA GLU A 24 4.620 16.161 -1.422 1.00 0.42 H new ATOM 0 HB2 GLU A 24 7.643 15.971 -1.125 1.00 0.49 H new ATOM 0 HB3 GLU A 24 6.663 14.888 -2.093 1.00 0.49 H new ATOM 0 HG2 GLU A 24 7.607 16.658 -3.549 1.00 0.54 H new ATOM 0 HG3 GLU A 24 5.864 16.832 -3.481 1.00 0.54 H new ATOM 378 N ALA A 25 4.578 14.169 0.174 1.00 0.36 N ATOM 379 CA ALA A 25 4.435 13.127 1.240 1.00 0.47 C ATOM 380 C ALA A 25 4.317 11.723 0.660 1.00 0.36 C ATOM 381 O ALA A 25 4.100 11.547 -0.524 1.00 0.41 O ATOM 382 CB ALA A 25 3.185 13.459 2.072 1.00 0.66 C ATOM 0 H ALA A 25 3.984 14.039 -0.645 1.00 0.36 H new ATOM 0 HA ALA A 25 5.330 13.138 1.861 1.00 0.47 H new ATOM 0 HB1 ALA A 25 3.061 12.712 2.856 1.00 0.66 H new ATOM 0 HB2 ALA A 25 3.300 14.444 2.524 1.00 0.66 H new ATOM 0 HB3 ALA A 25 2.307 13.457 1.426 1.00 0.66 H new ATOM 388 N VAL A 26 4.455 10.765 1.542 1.00 0.35 N ATOM 389 CA VAL A 26 4.365 9.337 1.150 1.00 0.47 C ATOM 390 C VAL A 26 3.028 8.858 1.712 1.00 0.60 C ATOM 391 O VAL A 26 2.169 8.429 0.970 1.00 0.73 O ATOM 392 CB VAL A 26 5.565 8.580 1.767 1.00 0.66 C ATOM 393 CG1 VAL A 26 5.449 7.068 1.466 1.00 0.88 C ATOM 394 CG2 VAL A 26 6.875 9.125 1.148 1.00 0.77 C ATOM 0 H VAL A 26 4.629 10.922 2.535 1.00 0.35 H new ATOM 0 HA VAL A 26 4.406 9.170 0.074 1.00 0.47 H new ATOM 0 HB VAL A 26 5.570 8.729 2.847 1.00 0.66 H new ATOM 0 HG11 VAL A 26 6.298 6.544 1.904 1.00 0.88 H new ATOM 0 HG12 VAL A 26 4.524 6.682 1.894 1.00 0.88 H new ATOM 0 HG13 VAL A 26 5.443 6.911 0.387 1.00 0.88 H new ATOM 0 HG21 VAL A 26 7.727 8.597 1.577 1.00 0.77 H new ATOM 0 HG22 VAL A 26 6.859 8.972 0.069 1.00 0.77 H new ATOM 0 HG23 VAL A 26 6.963 10.190 1.362 1.00 0.77 H new ATOM 404 N ASP A 27 2.897 8.945 3.008 1.00 0.61 N ATOM 405 CA ASP A 27 1.635 8.515 3.679 1.00 0.76 C ATOM 406 C ASP A 27 1.081 9.698 4.487 1.00 0.70 C ATOM 407 O ASP A 27 1.778 10.661 4.745 1.00 0.63 O ATOM 408 CB ASP A 27 1.975 7.311 4.585 1.00 0.93 C ATOM 409 CG ASP A 27 0.696 6.682 5.169 1.00 1.12 C ATOM 410 OD1 ASP A 27 0.188 7.241 6.127 1.00 1.24 O ATOM 411 OD2 ASP A 27 0.301 5.672 4.609 1.00 1.20 O ATOM 0 H ASP A 27 3.617 9.299 3.637 1.00 0.61 H new ATOM 0 HA ASP A 27 0.872 8.213 2.961 1.00 0.76 H new ATOM 0 HB2 ASP A 27 2.523 6.563 4.012 1.00 0.93 H new ATOM 0 HB3 ASP A 27 2.629 7.634 5.395 1.00 0.93 H new ATOM 416 N ALA A 28 -0.173 9.589 4.853 1.00 0.80 N ATOM 417 CA ALA A 28 -0.865 10.648 5.657 1.00 0.81 C ATOM 418 C ALA A 28 0.062 11.117 6.790 1.00 0.67 C ATOM 419 O ALA A 28 0.283 12.295 6.997 1.00 0.66 O ATOM 420 CB ALA A 28 -2.161 10.057 6.227 1.00 0.99 C ATOM 0 H ALA A 28 -0.762 8.789 4.622 1.00 0.80 H new ATOM 0 HA ALA A 28 -1.105 11.508 5.032 1.00 0.81 H new ATOM 0 HB1 ALA A 28 -2.678 10.815 6.816 1.00 0.99 H new ATOM 0 HB2 ALA A 28 -2.803 9.732 5.409 1.00 0.99 H new ATOM 0 HB3 ALA A 28 -1.923 9.204 6.862 1.00 0.99 H new ATOM 426 N ALA A 29 0.583 10.142 7.494 1.00 0.67 N ATOM 427 CA ALA A 29 1.510 10.425 8.630 1.00 0.57 C ATOM 428 C ALA A 29 2.695 11.270 8.145 1.00 0.44 C ATOM 429 O ALA A 29 3.009 12.270 8.754 1.00 0.46 O ATOM 430 CB ALA A 29 2.001 9.090 9.211 1.00 0.69 C ATOM 0 H ALA A 29 0.402 9.152 7.327 1.00 0.67 H new ATOM 0 HA ALA A 29 0.988 10.987 9.404 1.00 0.57 H new ATOM 0 HB1 ALA A 29 2.679 9.282 10.042 1.00 0.69 H new ATOM 0 HB2 ALA A 29 1.148 8.512 9.565 1.00 0.69 H new ATOM 0 HB3 ALA A 29 2.525 8.527 8.438 1.00 0.69 H new ATOM 436 N THR A 30 3.326 10.853 7.070 1.00 0.48 N ATOM 437 CA THR A 30 4.496 11.621 6.521 1.00 0.40 C ATOM 438 C THR A 30 4.142 13.107 6.415 1.00 0.33 C ATOM 439 O THR A 30 4.838 13.959 6.934 1.00 0.36 O ATOM 440 CB THR A 30 4.871 11.101 5.106 1.00 0.48 C ATOM 441 OG1 THR A 30 5.054 9.698 5.223 1.00 0.65 O ATOM 442 CG2 THR A 30 6.261 11.614 4.680 1.00 0.58 C ATOM 0 H THR A 30 3.081 10.012 6.547 1.00 0.48 H new ATOM 0 HA THR A 30 5.340 11.484 7.197 1.00 0.40 H new ATOM 0 HB THR A 30 4.098 11.415 4.404 1.00 0.48 H new ATOM 0 HG1 THR A 30 5.969 9.464 4.961 1.00 0.65 H new ATOM 0 HG21 THR A 30 6.500 11.236 3.686 1.00 0.58 H new ATOM 0 HG22 THR A 30 6.257 12.704 4.662 1.00 0.58 H new ATOM 0 HG23 THR A 30 7.011 11.266 5.390 1.00 0.58 H new ATOM 450 N ALA A 31 3.052 13.356 5.732 1.00 0.35 N ATOM 451 CA ALA A 31 2.577 14.763 5.544 1.00 0.41 C ATOM 452 C ALA A 31 2.524 15.476 6.887 1.00 0.40 C ATOM 453 O ALA A 31 3.155 16.502 7.051 1.00 0.51 O ATOM 454 CB ALA A 31 1.168 14.766 4.918 1.00 0.53 C ATOM 0 H ALA A 31 2.468 12.643 5.295 1.00 0.35 H new ATOM 0 HA ALA A 31 3.272 15.279 4.881 1.00 0.41 H new ATOM 0 HB1 ALA A 31 0.831 15.794 4.785 1.00 0.53 H new ATOM 0 HB2 ALA A 31 1.199 14.266 3.950 1.00 0.53 H new ATOM 0 HB3 ALA A 31 0.476 14.240 5.576 1.00 0.53 H new ATOM 460 N GLU A 32 1.770 14.894 7.791 1.00 0.37 N ATOM 461 CA GLU A 32 1.626 15.485 9.150 1.00 0.36 C ATOM 462 C GLU A 32 2.997 15.807 9.747 1.00 0.34 C ATOM 463 O GLU A 32 3.216 16.908 10.199 1.00 0.42 O ATOM 464 CB GLU A 32 0.886 14.494 10.067 1.00 0.37 C ATOM 465 CG GLU A 32 0.674 15.158 11.459 1.00 0.49 C ATOM 466 CD GLU A 32 -0.137 14.212 12.371 1.00 0.47 C ATOM 467 OE1 GLU A 32 0.407 13.160 12.686 1.00 1.06 O ATOM 468 OE2 GLU A 32 -1.254 14.596 12.697 1.00 1.25 O ATOM 0 H GLU A 32 1.248 14.031 7.640 1.00 0.37 H new ATOM 0 HA GLU A 32 1.055 16.410 9.069 1.00 0.36 H new ATOM 0 HB2 GLU A 32 -0.074 14.220 9.630 1.00 0.37 H new ATOM 0 HB3 GLU A 32 1.462 13.575 10.172 1.00 0.37 H new ATOM 0 HG2 GLU A 32 1.638 15.381 11.916 1.00 0.49 H new ATOM 0 HG3 GLU A 32 0.149 16.106 11.344 1.00 0.49 H new ATOM 475 N LYS A 33 3.884 14.847 9.725 1.00 0.34 N ATOM 476 CA LYS A 33 5.244 15.066 10.291 1.00 0.35 C ATOM 477 C LYS A 33 6.008 16.232 9.663 1.00 0.34 C ATOM 478 O LYS A 33 6.503 17.067 10.392 1.00 0.40 O ATOM 479 CB LYS A 33 6.052 13.745 10.131 1.00 0.39 C ATOM 480 CG LYS A 33 7.492 13.871 10.701 1.00 0.44 C ATOM 481 CD LYS A 33 7.461 14.134 12.231 1.00 0.43 C ATOM 482 CE LYS A 33 8.895 14.311 12.759 1.00 0.64 C ATOM 483 NZ LYS A 33 9.517 15.530 12.163 1.00 0.81 N ATOM 0 H LYS A 33 3.722 13.917 9.337 1.00 0.34 H new ATOM 0 HA LYS A 33 5.120 15.339 11.339 1.00 0.35 H new ATOM 0 HB2 LYS A 33 5.529 12.936 10.642 1.00 0.39 H new ATOM 0 HB3 LYS A 33 6.102 13.476 9.076 1.00 0.39 H new ATOM 0 HG2 LYS A 33 8.050 12.957 10.496 1.00 0.44 H new ATOM 0 HG3 LYS A 33 8.016 14.684 10.199 1.00 0.44 H new ATOM 0 HD2 LYS A 33 6.873 15.027 12.444 1.00 0.43 H new ATOM 0 HD3 LYS A 33 6.976 13.303 12.742 1.00 0.43 H new ATOM 0 HE2 LYS A 33 8.882 14.395 13.846 1.00 0.64 H new ATOM 0 HE3 LYS A 33 9.492 13.432 12.514 1.00 0.64 H new ATOM 0 HZ1 LYS A 33 9.930 16.114 12.918 1.00 0.81 H new ATOM 0 HZ2 LYS A 33 10.263 15.248 11.496 1.00 0.81 H new ATOM 0 HZ3 LYS A 33 8.792 16.079 11.659 1.00 0.81 H new ATOM 497 N VAL A 34 6.091 16.279 8.357 1.00 0.33 N ATOM 498 CA VAL A 34 6.847 17.416 7.730 1.00 0.32 C ATOM 499 C VAL A 34 6.158 18.739 8.052 1.00 0.31 C ATOM 500 O VAL A 34 6.781 19.650 8.565 1.00 0.35 O ATOM 501 CB VAL A 34 6.913 17.192 6.187 1.00 0.37 C ATOM 502 CG1 VAL A 34 7.704 18.342 5.514 1.00 0.49 C ATOM 503 CG2 VAL A 34 7.634 15.857 5.890 1.00 0.42 C ATOM 0 H VAL A 34 5.683 15.603 7.711 1.00 0.33 H new ATOM 0 HA VAL A 34 7.860 17.453 8.130 1.00 0.32 H new ATOM 0 HB VAL A 34 5.897 17.168 5.793 1.00 0.37 H new ATOM 0 HG11 VAL A 34 7.744 18.175 4.438 1.00 0.49 H new ATOM 0 HG12 VAL A 34 7.208 19.291 5.716 1.00 0.49 H new ATOM 0 HG13 VAL A 34 8.717 18.369 5.914 1.00 0.49 H new ATOM 0 HG21 VAL A 34 7.680 15.700 4.812 1.00 0.42 H new ATOM 0 HG22 VAL A 34 8.645 15.892 6.295 1.00 0.42 H new ATOM 0 HG23 VAL A 34 7.086 15.037 6.353 1.00 0.42 H new ATOM 513 N PHE A 35 4.889 18.800 7.748 1.00 0.32 N ATOM 514 CA PHE A 35 4.105 20.035 8.014 1.00 0.29 C ATOM 515 C PHE A 35 4.282 20.460 9.481 1.00 0.31 C ATOM 516 O PHE A 35 4.549 21.614 9.747 1.00 0.37 O ATOM 517 CB PHE A 35 2.628 19.727 7.656 1.00 0.30 C ATOM 518 CG PHE A 35 2.301 19.889 6.139 1.00 0.28 C ATOM 519 CD1 PHE A 35 3.147 20.525 5.235 1.00 0.37 C ATOM 520 CD2 PHE A 35 1.094 19.402 5.659 1.00 0.28 C ATOM 521 CE1 PHE A 35 2.792 20.670 3.911 1.00 0.45 C ATOM 522 CE2 PHE A 35 0.742 19.549 4.328 1.00 0.30 C ATOM 523 CZ PHE A 35 1.593 20.186 3.449 1.00 0.39 C ATOM 0 H PHE A 35 4.360 18.039 7.323 1.00 0.32 H new ATOM 0 HA PHE A 35 4.450 20.873 7.408 1.00 0.29 H new ATOM 0 HB2 PHE A 35 2.395 18.707 7.961 1.00 0.30 H new ATOM 0 HB3 PHE A 35 1.979 20.388 8.231 1.00 0.30 H new ATOM 0 HD1 PHE A 35 4.096 20.911 5.576 1.00 0.37 H new ATOM 0 HD2 PHE A 35 0.418 18.900 6.335 1.00 0.28 H new ATOM 0 HE1 PHE A 35 3.464 21.170 3.229 1.00 0.45 H new ATOM 0 HE2 PHE A 35 -0.203 19.163 3.976 1.00 0.30 H new ATOM 0 HZ PHE A 35 1.320 20.303 2.411 1.00 0.39 H new ATOM 533 N LYS A 36 4.143 19.536 10.402 1.00 0.32 N ATOM 534 CA LYS A 36 4.306 19.885 11.842 1.00 0.35 C ATOM 535 C LYS A 36 5.711 20.439 12.087 1.00 0.35 C ATOM 536 O LYS A 36 5.817 21.537 12.587 1.00 0.48 O ATOM 537 CB LYS A 36 4.110 18.638 12.717 1.00 0.43 C ATOM 538 CG LYS A 36 4.153 19.037 14.221 1.00 0.56 C ATOM 539 CD LYS A 36 4.621 17.834 15.081 1.00 1.36 C ATOM 540 CE LYS A 36 3.716 16.601 14.919 1.00 2.13 C ATOM 541 NZ LYS A 36 2.307 16.911 15.307 1.00 2.37 N ATOM 0 H LYS A 36 3.924 18.557 10.215 1.00 0.32 H new ATOM 0 HA LYS A 36 3.559 20.635 12.101 1.00 0.35 H new ATOM 0 HB2 LYS A 36 3.156 18.165 12.484 1.00 0.43 H new ATOM 0 HB3 LYS A 36 4.889 17.906 12.503 1.00 0.43 H new ATOM 0 HG2 LYS A 36 4.830 19.879 14.362 1.00 0.56 H new ATOM 0 HG3 LYS A 36 3.165 19.364 14.546 1.00 0.56 H new ATOM 0 HD2 LYS A 36 5.641 17.570 14.804 1.00 1.36 H new ATOM 0 HD3 LYS A 36 4.642 18.129 16.130 1.00 1.36 H new ATOM 0 HE2 LYS A 36 3.744 16.259 13.884 1.00 2.13 H new ATOM 0 HE3 LYS A 36 4.095 15.785 15.535 1.00 2.13 H new ATOM 0 HZ1 LYS A 36 1.741 16.039 15.286 1.00 2.37 H new ATOM 0 HZ2 LYS A 36 2.291 17.310 16.267 1.00 2.37 H new ATOM 0 HZ3 LYS A 36 1.906 17.600 14.639 1.00 2.37 H new ATOM 555 N GLN A 37 6.735 19.682 11.739 1.00 0.34 N ATOM 556 CA GLN A 37 8.150 20.138 11.944 1.00 0.38 C ATOM 557 C GLN A 37 8.255 21.620 11.577 1.00 0.35 C ATOM 558 O GLN A 37 8.686 22.433 12.367 1.00 0.38 O ATOM 559 CB GLN A 37 9.064 19.266 11.059 1.00 0.48 C ATOM 560 CG GLN A 37 10.538 19.594 11.371 1.00 0.60 C ATOM 561 CD GLN A 37 11.451 18.655 10.573 1.00 0.81 C ATOM 562 OE1 GLN A 37 11.443 17.452 10.756 1.00 1.02 O ATOM 563 NE2 GLN A 37 12.250 19.162 9.676 1.00 1.02 N ATOM 0 H GLN A 37 6.645 18.758 11.317 1.00 0.34 H new ATOM 0 HA GLN A 37 8.458 20.029 12.984 1.00 0.38 H new ATOM 0 HB2 GLN A 37 8.868 18.210 11.243 1.00 0.48 H new ATOM 0 HB3 GLN A 37 8.853 19.451 10.006 1.00 0.48 H new ATOM 0 HG2 GLN A 37 10.753 20.632 11.115 1.00 0.60 H new ATOM 0 HG3 GLN A 37 10.728 19.483 12.439 1.00 0.60 H new ATOM 0 HE21 GLN A 37 12.263 20.169 9.516 1.00 1.02 H new ATOM 0 HE22 GLN A 37 12.862 18.551 9.134 1.00 1.02 H new ATOM 572 N TYR A 38 7.840 21.913 10.375 1.00 0.32 N ATOM 573 CA TYR A 38 7.864 23.318 9.862 1.00 0.33 C ATOM 574 C TYR A 38 7.100 24.235 10.848 1.00 0.32 C ATOM 575 O TYR A 38 7.644 25.170 11.399 1.00 0.39 O ATOM 576 CB TYR A 38 7.217 23.276 8.459 1.00 0.40 C ATOM 577 CG TYR A 38 6.815 24.669 7.952 1.00 0.43 C ATOM 578 CD1 TYR A 38 7.753 25.656 7.714 1.00 0.65 C ATOM 579 CD2 TYR A 38 5.479 24.942 7.729 1.00 0.53 C ATOM 580 CE1 TYR A 38 7.356 26.898 7.255 1.00 0.76 C ATOM 581 CE2 TYR A 38 5.084 26.177 7.272 1.00 0.65 C ATOM 582 CZ TYR A 38 6.017 27.163 7.031 1.00 0.70 C ATOM 583 OH TYR A 38 5.600 28.393 6.568 1.00 0.86 O ATOM 0 H TYR A 38 7.478 21.227 9.713 1.00 0.32 H new ATOM 0 HA TYR A 38 8.872 23.724 9.784 1.00 0.33 H new ATOM 0 HB2 TYR A 38 7.915 22.825 7.754 1.00 0.40 H new ATOM 0 HB3 TYR A 38 6.335 22.636 8.489 1.00 0.40 H new ATOM 0 HD1 TYR A 38 8.800 25.456 7.887 1.00 0.65 H new ATOM 0 HD2 TYR A 38 4.738 24.178 7.915 1.00 0.53 H new ATOM 0 HE1 TYR A 38 8.094 27.664 7.071 1.00 0.76 H new ATOM 0 HE2 TYR A 38 4.036 26.376 7.101 1.00 0.65 H new ATOM 0 HH TYR A 38 4.625 28.392 6.470 1.00 0.86 H new ATOM 593 N ALA A 39 5.846 23.928 11.051 1.00 0.34 N ATOM 594 CA ALA A 39 4.986 24.729 11.980 1.00 0.36 C ATOM 595 C ALA A 39 5.491 24.778 13.434 1.00 0.39 C ATOM 596 O ALA A 39 5.087 25.655 14.168 1.00 0.52 O ATOM 597 CB ALA A 39 3.592 24.134 11.942 1.00 0.38 C ATOM 0 H ALA A 39 5.371 23.143 10.606 1.00 0.34 H new ATOM 0 HA ALA A 39 5.006 25.763 11.635 1.00 0.36 H new ATOM 0 HB1 ALA A 39 2.938 24.696 12.610 1.00 0.38 H new ATOM 0 HB2 ALA A 39 3.202 24.185 10.925 1.00 0.38 H new ATOM 0 HB3 ALA A 39 3.632 23.093 12.264 1.00 0.38 H new ATOM 603 N ASN A 40 6.344 23.858 13.807 1.00 0.38 N ATOM 604 CA ASN A 40 6.894 23.818 15.200 1.00 0.42 C ATOM 605 C ASN A 40 8.048 24.812 15.183 1.00 0.47 C ATOM 606 O ASN A 40 8.127 25.665 16.046 1.00 0.66 O ATOM 607 CB ASN A 40 7.351 22.362 15.494 1.00 0.48 C ATOM 608 CG ASN A 40 7.767 22.207 16.966 1.00 0.56 C ATOM 609 OD1 ASN A 40 7.081 22.625 17.878 1.00 1.09 O ATOM 610 ND2 ASN A 40 8.888 21.603 17.249 1.00 1.09 N ATOM 0 H ASN A 40 6.690 23.119 13.195 1.00 0.38 H new ATOM 0 HA ASN A 40 6.183 24.086 15.981 1.00 0.42 H new ATOM 0 HB2 ASN A 40 6.542 21.669 15.265 1.00 0.48 H new ATOM 0 HB3 ASN A 40 8.187 22.101 14.846 1.00 0.48 H new ATOM 0 HD21 ASN A 40 9.174 21.489 18.221 1.00 1.09 H new ATOM 0 HD22 ASN A 40 9.478 21.245 16.498 1.00 1.09 H new ATOM 617 N ASP A 41 8.900 24.657 14.198 1.00 0.42 N ATOM 618 CA ASP A 41 10.084 25.550 14.009 1.00 0.43 C ATOM 619 C ASP A 41 9.567 26.992 14.158 1.00 0.43 C ATOM 620 O ASP A 41 10.110 27.797 14.888 1.00 0.54 O ATOM 621 CB ASP A 41 10.646 25.281 12.611 1.00 0.47 C ATOM 622 CG ASP A 41 11.920 26.106 12.346 1.00 0.57 C ATOM 623 OD1 ASP A 41 11.777 27.312 12.217 1.00 0.56 O ATOM 624 OD2 ASP A 41 12.967 25.481 12.288 1.00 0.83 O ATOM 0 H ASP A 41 8.819 23.923 13.495 1.00 0.42 H new ATOM 0 HA ASP A 41 10.881 25.378 14.732 1.00 0.43 H new ATOM 0 HB2 ASP A 41 10.870 24.220 12.506 1.00 0.47 H new ATOM 0 HB3 ASP A 41 9.892 25.523 11.862 1.00 0.47 H new ATOM 629 N ASN A 42 8.508 27.234 13.424 1.00 0.41 N ATOM 630 CA ASN A 42 7.829 28.566 13.416 1.00 0.40 C ATOM 631 C ASN A 42 7.254 28.864 14.822 1.00 0.43 C ATOM 632 O ASN A 42 7.669 29.811 15.460 1.00 0.51 O ATOM 633 CB ASN A 42 6.720 28.507 12.348 1.00 0.48 C ATOM 634 CG ASN A 42 6.022 29.866 12.188 1.00 0.57 C ATOM 635 OD1 ASN A 42 5.462 30.415 13.116 1.00 0.71 O ATOM 636 ND2 ASN A 42 6.032 30.445 11.020 1.00 0.64 N ATOM 0 H ASN A 42 8.075 26.542 12.813 1.00 0.41 H new ATOM 0 HA ASN A 42 8.524 29.370 13.175 1.00 0.40 H new ATOM 0 HB2 ASN A 42 7.148 28.202 11.393 1.00 0.48 H new ATOM 0 HB3 ASN A 42 5.986 27.750 12.625 1.00 0.48 H new ATOM 0 HD21 ASN A 42 5.574 31.347 10.894 1.00 0.64 H new ATOM 0 HD22 ASN A 42 6.498 29.996 10.232 1.00 0.64 H new ATOM 643 N GLY A 43 6.319 28.050 15.256 1.00 0.44 N ATOM 644 CA GLY A 43 5.670 28.211 16.601 1.00 0.52 C ATOM 645 C GLY A 43 4.160 28.479 16.487 1.00 0.56 C ATOM 646 O GLY A 43 3.634 29.355 17.146 1.00 0.64 O ATOM 0 H GLY A 43 5.968 27.257 14.718 1.00 0.44 H new ATOM 0 HA2 GLY A 43 5.834 27.310 17.192 1.00 0.52 H new ATOM 0 HA3 GLY A 43 6.144 29.034 17.136 1.00 0.52 H new ATOM 650 N VAL A 44 3.520 27.709 15.646 1.00 0.55 N ATOM 651 CA VAL A 44 2.041 27.822 15.405 1.00 0.62 C ATOM 652 C VAL A 44 1.417 26.418 15.437 1.00 0.63 C ATOM 653 O VAL A 44 1.098 25.858 14.409 1.00 0.66 O ATOM 654 CB VAL A 44 1.820 28.529 14.017 1.00 0.62 C ATOM 655 CG1 VAL A 44 2.129 30.036 14.151 1.00 0.69 C ATOM 656 CG2 VAL A 44 2.705 27.913 12.897 1.00 0.54 C ATOM 0 H VAL A 44 3.974 26.980 15.095 1.00 0.55 H new ATOM 0 HA VAL A 44 1.558 28.418 16.179 1.00 0.62 H new ATOM 0 HB VAL A 44 0.778 28.380 13.732 1.00 0.62 H new ATOM 0 HG11 VAL A 44 1.976 30.526 13.189 1.00 0.69 H new ATOM 0 HG12 VAL A 44 1.465 30.479 14.894 1.00 0.69 H new ATOM 0 HG13 VAL A 44 3.164 30.169 14.465 1.00 0.69 H new ATOM 0 HG21 VAL A 44 2.518 28.433 11.958 1.00 0.54 H new ATOM 0 HG22 VAL A 44 3.756 28.016 13.166 1.00 0.54 H new ATOM 0 HG23 VAL A 44 2.462 26.857 12.781 1.00 0.54 H new ATOM 666 N ASP A 45 1.259 25.875 16.618 1.00 0.67 N ATOM 667 CA ASP A 45 0.663 24.503 16.761 1.00 0.69 C ATOM 668 C ASP A 45 -0.515 24.425 17.757 1.00 0.66 C ATOM 669 O ASP A 45 -0.317 24.132 18.922 1.00 1.05 O ATOM 670 CB ASP A 45 1.808 23.557 17.183 1.00 0.69 C ATOM 671 CG ASP A 45 2.990 23.733 16.208 1.00 0.69 C ATOM 672 OD1 ASP A 45 2.868 23.296 15.073 1.00 0.79 O ATOM 673 OD2 ASP A 45 3.959 24.312 16.668 1.00 0.87 O ATOM 0 H ASP A 45 1.518 26.323 17.497 1.00 0.67 H new ATOM 0 HA ASP A 45 0.227 24.213 15.805 1.00 0.69 H new ATOM 0 HB2 ASP A 45 2.124 23.780 18.202 1.00 0.69 H new ATOM 0 HB3 ASP A 45 1.464 22.523 17.175 1.00 0.69 H new ATOM 678 N GLY A 46 -1.706 24.689 17.275 1.00 0.38 N ATOM 679 CA GLY A 46 -2.929 24.641 18.150 1.00 0.35 C ATOM 680 C GLY A 46 -3.831 23.475 17.706 1.00 0.36 C ATOM 681 O GLY A 46 -3.959 22.479 18.391 1.00 0.53 O ATOM 0 H GLY A 46 -1.888 24.939 16.303 1.00 0.38 H new ATOM 0 HA2 GLY A 46 -2.639 24.514 19.193 1.00 0.35 H new ATOM 0 HA3 GLY A 46 -3.474 25.583 18.084 1.00 0.35 H new ATOM 685 N GLU A 47 -4.423 23.661 16.557 1.00 0.33 N ATOM 686 CA GLU A 47 -5.343 22.665 15.922 1.00 0.43 C ATOM 687 C GLU A 47 -4.608 22.375 14.616 1.00 0.42 C ATOM 688 O GLU A 47 -4.816 23.038 13.619 1.00 0.49 O ATOM 689 CB GLU A 47 -6.729 23.297 15.637 1.00 0.52 C ATOM 690 CG GLU A 47 -7.454 23.740 16.925 1.00 0.52 C ATOM 691 CD GLU A 47 -6.831 25.008 17.548 1.00 0.46 C ATOM 692 OE1 GLU A 47 -6.904 26.048 16.909 1.00 0.66 O ATOM 693 OE2 GLU A 47 -6.311 24.871 18.643 1.00 0.72 O ATOM 0 H GLU A 47 -4.300 24.508 16.003 1.00 0.33 H new ATOM 0 HA GLU A 47 -5.544 21.786 16.535 1.00 0.43 H new ATOM 0 HB2 GLU A 47 -6.604 24.158 14.980 1.00 0.52 H new ATOM 0 HB3 GLU A 47 -7.350 22.577 15.104 1.00 0.52 H new ATOM 0 HG2 GLU A 47 -8.504 23.928 16.701 1.00 0.52 H new ATOM 0 HG3 GLU A 47 -7.423 22.929 17.653 1.00 0.52 H new ATOM 700 N TRP A 48 -3.763 21.385 14.677 1.00 0.42 N ATOM 701 CA TRP A 48 -2.947 20.976 13.494 1.00 0.41 C ATOM 702 C TRP A 48 -3.451 19.632 12.962 1.00 0.39 C ATOM 703 O TRP A 48 -2.938 18.579 13.295 1.00 0.50 O ATOM 704 CB TRP A 48 -1.567 20.897 13.994 1.00 0.42 C ATOM 705 CG TRP A 48 -0.452 21.277 13.019 1.00 0.38 C ATOM 706 CD1 TRP A 48 0.756 21.529 13.547 1.00 0.41 C ATOM 707 CD2 TRP A 48 -0.409 21.450 11.667 1.00 0.36 C ATOM 708 NE1 TRP A 48 1.484 21.847 12.510 1.00 0.39 N ATOM 709 CE2 TRP A 48 0.880 21.832 11.338 1.00 0.36 C ATOM 710 CE3 TRP A 48 -1.330 21.340 10.640 1.00 0.40 C ATOM 711 CZ2 TRP A 48 1.243 22.100 10.038 1.00 0.37 C ATOM 712 CZ3 TRP A 48 -0.966 21.608 9.332 1.00 0.41 C ATOM 713 CH2 TRP A 48 0.318 21.988 9.032 1.00 0.39 C ATOM 0 H TRP A 48 -3.598 20.828 15.515 1.00 0.42 H new ATOM 0 HA TRP A 48 -3.014 21.675 12.661 1.00 0.41 H new ATOM 0 HB2 TRP A 48 -1.486 21.542 14.869 1.00 0.42 H new ATOM 0 HB3 TRP A 48 -1.387 19.877 14.333 1.00 0.42 H new ATOM 0 HD1 TRP A 48 1.055 21.480 14.584 1.00 0.41 H new ATOM 0 HE1 TRP A 48 2.469 22.094 12.602 1.00 0.39 H new ATOM 0 HE3 TRP A 48 -2.344 21.042 10.862 1.00 0.40 H new ATOM 0 HZ2 TRP A 48 2.256 22.398 9.810 1.00 0.37 H new ATOM 0 HZ3 TRP A 48 -1.697 21.517 8.542 1.00 0.41 H new ATOM 0 HH2 TRP A 48 0.598 22.197 8.010 1.00 0.39 H new ATOM 724 N THR A 49 -4.456 19.725 12.142 1.00 0.36 N ATOM 725 CA THR A 49 -5.050 18.475 11.554 1.00 0.37 C ATOM 726 C THR A 49 -5.321 18.634 10.075 1.00 0.38 C ATOM 727 O THR A 49 -5.007 19.657 9.519 1.00 0.42 O ATOM 728 CB THR A 49 -6.366 18.105 12.256 1.00 0.41 C ATOM 729 OG1 THR A 49 -6.293 18.619 13.580 1.00 0.45 O ATOM 730 CG2 THR A 49 -6.312 16.592 12.491 1.00 0.51 C ATOM 0 H THR A 49 -4.895 20.598 11.850 1.00 0.36 H new ATOM 0 HA THR A 49 -4.319 17.681 11.703 1.00 0.37 H new ATOM 0 HB THR A 49 -7.225 18.456 11.684 1.00 0.41 H new ATOM 0 HG1 THR A 49 -7.119 18.403 14.061 1.00 0.45 H new ATOM 0 HG21 THR A 49 -7.226 16.268 12.990 1.00 0.51 H new ATOM 0 HG22 THR A 49 -6.220 16.078 11.534 1.00 0.51 H new ATOM 0 HG23 THR A 49 -5.452 16.351 13.116 1.00 0.51 H new ATOM 738 N TYR A 50 -5.904 17.632 9.473 1.00 0.38 N ATOM 739 CA TYR A 50 -6.206 17.678 8.013 1.00 0.39 C ATOM 740 C TYR A 50 -7.647 17.550 7.495 1.00 0.40 C ATOM 741 O TYR A 50 -8.592 17.262 8.201 1.00 0.50 O ATOM 742 CB TYR A 50 -5.267 16.593 7.419 1.00 0.41 C ATOM 743 CG TYR A 50 -5.964 15.320 6.907 1.00 0.42 C ATOM 744 CD1 TYR A 50 -6.773 14.575 7.746 1.00 0.60 C ATOM 745 CD2 TYR A 50 -5.778 14.893 5.611 1.00 0.56 C ATOM 746 CE1 TYR A 50 -7.383 13.422 7.295 1.00 0.64 C ATOM 747 CE2 TYR A 50 -6.389 13.737 5.158 1.00 0.60 C ATOM 748 CZ TYR A 50 -7.192 12.996 5.996 1.00 0.54 C ATOM 749 OH TYR A 50 -7.781 11.842 5.519 1.00 0.64 O ATOM 0 H TYR A 50 -6.188 16.770 9.939 1.00 0.38 H new ATOM 0 HA TYR A 50 -6.041 18.704 7.686 1.00 0.39 H new ATOM 0 HB2 TYR A 50 -4.706 17.035 6.596 1.00 0.41 H new ATOM 0 HB3 TYR A 50 -4.543 16.308 8.182 1.00 0.41 H new ATOM 0 HD1 TYR A 50 -6.929 14.899 8.764 1.00 0.60 H new ATOM 0 HD2 TYR A 50 -5.151 15.465 4.943 1.00 0.56 H new ATOM 0 HE1 TYR A 50 -8.012 12.851 7.961 1.00 0.64 H new ATOM 0 HE2 TYR A 50 -6.235 13.413 4.139 1.00 0.60 H new ATOM 0 HH TYR A 50 -7.595 11.751 4.561 1.00 0.64 H new ATOM 759 N ASP A 51 -7.680 17.797 6.210 1.00 0.37 N ATOM 760 CA ASP A 51 -8.879 17.779 5.329 1.00 0.41 C ATOM 761 C ASP A 51 -8.629 16.702 4.280 1.00 0.37 C ATOM 762 O ASP A 51 -7.528 16.557 3.782 1.00 0.39 O ATOM 763 CB ASP A 51 -9.015 19.152 4.678 1.00 0.44 C ATOM 764 CG ASP A 51 -10.020 19.077 3.525 1.00 0.53 C ATOM 765 OD1 ASP A 51 -11.204 19.117 3.818 1.00 0.70 O ATOM 766 OD2 ASP A 51 -9.525 18.968 2.415 1.00 0.57 O ATOM 0 H ASP A 51 -6.832 18.033 5.695 1.00 0.37 H new ATOM 0 HA ASP A 51 -9.798 17.565 5.875 1.00 0.41 H new ATOM 0 HB2 ASP A 51 -9.346 19.884 5.415 1.00 0.44 H new ATOM 0 HB3 ASP A 51 -8.046 19.488 4.308 1.00 0.44 H new ATOM 771 N ASP A 52 -9.683 15.989 3.988 1.00 0.45 N ATOM 772 CA ASP A 52 -9.606 14.900 2.978 1.00 0.46 C ATOM 773 C ASP A 52 -10.674 15.171 1.912 1.00 0.47 C ATOM 774 O ASP A 52 -11.177 14.266 1.272 1.00 0.59 O ATOM 775 CB ASP A 52 -9.854 13.569 3.707 1.00 0.54 C ATOM 776 CG ASP A 52 -9.471 12.385 2.801 1.00 0.62 C ATOM 777 OD1 ASP A 52 -8.289 12.289 2.507 1.00 0.64 O ATOM 778 OD2 ASP A 52 -10.377 11.646 2.454 1.00 0.76 O ATOM 0 H ASP A 52 -10.602 16.117 4.411 1.00 0.45 H new ATOM 0 HA ASP A 52 -8.633 14.854 2.488 1.00 0.46 H new ATOM 0 HB2 ASP A 52 -9.270 13.536 4.627 1.00 0.54 H new ATOM 0 HB3 ASP A 52 -10.903 13.493 3.993 1.00 0.54 H new ATOM 783 N ALA A 53 -10.979 16.435 1.761 1.00 0.47 N ATOM 784 CA ALA A 53 -12.004 16.864 0.752 1.00 0.51 C ATOM 785 C ALA A 53 -11.280 17.327 -0.520 1.00 0.53 C ATOM 786 O ALA A 53 -11.704 17.041 -1.623 1.00 0.72 O ATOM 787 CB ALA A 53 -12.835 18.023 1.320 1.00 0.59 C ATOM 0 H ALA A 53 -10.561 17.196 2.296 1.00 0.47 H new ATOM 0 HA ALA A 53 -12.667 16.030 0.521 1.00 0.51 H new ATOM 0 HB1 ALA A 53 -13.578 18.332 0.585 1.00 0.59 H new ATOM 0 HB2 ALA A 53 -13.338 17.698 2.230 1.00 0.59 H new ATOM 0 HB3 ALA A 53 -12.179 18.863 1.548 1.00 0.59 H new ATOM 793 N THR A 54 -10.201 18.032 -0.304 1.00 0.46 N ATOM 794 CA THR A 54 -9.346 18.579 -1.399 1.00 0.49 C ATOM 795 C THR A 54 -7.993 17.854 -1.351 1.00 0.40 C ATOM 796 O THR A 54 -7.462 17.476 -2.375 1.00 0.46 O ATOM 797 CB THR A 54 -9.153 20.090 -1.166 1.00 0.62 C ATOM 798 OG1 THR A 54 -10.463 20.640 -1.144 1.00 0.83 O ATOM 799 CG2 THR A 54 -8.479 20.768 -2.371 1.00 0.74 C ATOM 0 H THR A 54 -9.863 18.261 0.631 1.00 0.46 H new ATOM 0 HA THR A 54 -9.808 18.428 -2.375 1.00 0.49 H new ATOM 0 HB THR A 54 -8.557 20.240 -0.266 1.00 0.62 H new ATOM 0 HG1 THR A 54 -10.409 21.607 -0.996 1.00 0.83 H new ATOM 0 HG21 THR A 54 -8.360 21.833 -2.170 1.00 0.74 H new ATOM 0 HG22 THR A 54 -7.500 20.319 -2.541 1.00 0.74 H new ATOM 0 HG23 THR A 54 -9.099 20.634 -3.258 1.00 0.74 H new ATOM 807 N LYS A 55 -7.532 17.723 -0.128 1.00 0.36 N ATOM 808 CA LYS A 55 -6.247 17.074 0.317 1.00 0.30 C ATOM 809 C LYS A 55 -5.365 18.207 0.844 1.00 0.29 C ATOM 810 O LYS A 55 -4.251 18.448 0.414 1.00 0.34 O ATOM 811 CB LYS A 55 -5.469 16.330 -0.842 1.00 0.34 C ATOM 812 CG LYS A 55 -6.212 15.022 -1.237 1.00 0.43 C ATOM 813 CD LYS A 55 -5.269 14.046 -1.993 1.00 0.47 C ATOM 814 CE LYS A 55 -4.616 14.692 -3.235 1.00 0.40 C ATOM 815 NZ LYS A 55 -3.850 13.651 -3.984 1.00 0.46 N ATOM 0 H LYS A 55 -8.060 18.083 0.667 1.00 0.36 H new ATOM 0 HA LYS A 55 -6.482 16.312 1.060 1.00 0.30 H new ATOM 0 HB2 LYS A 55 -5.383 16.984 -1.710 1.00 0.34 H new ATOM 0 HB3 LYS A 55 -4.455 16.097 -0.517 1.00 0.34 H new ATOM 0 HG2 LYS A 55 -6.600 14.536 -0.341 1.00 0.43 H new ATOM 0 HG3 LYS A 55 -7.069 15.263 -1.865 1.00 0.43 H new ATOM 0 HD2 LYS A 55 -4.488 13.702 -1.314 1.00 0.47 H new ATOM 0 HD3 LYS A 55 -5.834 13.166 -2.301 1.00 0.47 H new ATOM 0 HE2 LYS A 55 -5.381 15.130 -3.877 1.00 0.40 H new ATOM 0 HE3 LYS A 55 -3.952 15.502 -2.932 1.00 0.40 H new ATOM 0 HZ1 LYS A 55 -3.408 14.081 -4.822 1.00 0.46 H new ATOM 0 HZ2 LYS A 55 -3.112 13.253 -3.369 1.00 0.46 H new ATOM 0 HZ3 LYS A 55 -4.496 12.893 -4.284 1.00 0.46 H new ATOM 829 N THR A 56 -5.941 18.876 1.806 1.00 0.37 N ATOM 830 CA THR A 56 -5.263 20.035 2.467 1.00 0.37 C ATOM 831 C THR A 56 -5.045 19.724 3.949 1.00 0.38 C ATOM 832 O THR A 56 -5.648 18.819 4.488 1.00 0.42 O ATOM 833 CB THR A 56 -6.174 21.261 2.268 1.00 0.39 C ATOM 834 OG1 THR A 56 -6.361 21.314 0.856 1.00 0.41 O ATOM 835 CG2 THR A 56 -5.461 22.585 2.619 1.00 0.51 C ATOM 0 H THR A 56 -6.870 18.666 2.170 1.00 0.37 H new ATOM 0 HA THR A 56 -4.282 20.233 2.034 1.00 0.37 H new ATOM 0 HB THR A 56 -7.069 21.165 2.883 1.00 0.39 H new ATOM 0 HG1 THR A 56 -6.938 22.073 0.631 1.00 0.41 H new ATOM 0 HG21 THR A 56 -6.145 23.419 2.462 1.00 0.51 H new ATOM 0 HG22 THR A 56 -5.148 22.564 3.663 1.00 0.51 H new ATOM 0 HG23 THR A 56 -4.586 22.708 1.980 1.00 0.51 H new ATOM 843 N PHE A 57 -4.184 20.487 4.567 1.00 0.41 N ATOM 844 CA PHE A 57 -3.882 20.289 6.015 1.00 0.42 C ATOM 845 C PHE A 57 -4.079 21.690 6.612 1.00 0.42 C ATOM 846 O PHE A 57 -3.911 22.674 5.923 1.00 0.49 O ATOM 847 CB PHE A 57 -2.445 19.801 6.131 1.00 0.45 C ATOM 848 CG PHE A 57 -2.312 18.659 7.160 1.00 0.44 C ATOM 849 CD1 PHE A 57 -2.479 18.854 8.514 1.00 0.47 C ATOM 850 CD2 PHE A 57 -2.025 17.380 6.705 1.00 0.47 C ATOM 851 CE1 PHE A 57 -2.365 17.802 9.398 1.00 0.49 C ATOM 852 CE2 PHE A 57 -1.911 16.325 7.586 1.00 0.49 C ATOM 853 CZ PHE A 57 -2.082 16.537 8.936 1.00 0.50 C ATOM 0 H PHE A 57 -3.670 21.249 4.124 1.00 0.41 H new ATOM 0 HA PHE A 57 -4.504 19.555 6.527 1.00 0.42 H new ATOM 0 HB2 PHE A 57 -2.098 19.456 5.157 1.00 0.45 H new ATOM 0 HB3 PHE A 57 -1.801 20.631 6.423 1.00 0.45 H new ATOM 0 HD1 PHE A 57 -2.702 19.843 8.887 1.00 0.47 H new ATOM 0 HD2 PHE A 57 -1.889 17.208 5.647 1.00 0.47 H new ATOM 0 HE1 PHE A 57 -2.498 17.971 10.456 1.00 0.49 H new ATOM 0 HE2 PHE A 57 -1.688 15.334 7.218 1.00 0.49 H new ATOM 0 HZ PHE A 57 -1.994 15.714 9.629 1.00 0.50 H new ATOM 863 N THR A 58 -4.423 21.781 7.863 1.00 0.37 N ATOM 864 CA THR A 58 -4.630 23.127 8.483 1.00 0.37 C ATOM 865 C THR A 58 -4.072 23.198 9.890 1.00 0.36 C ATOM 866 O THR A 58 -4.207 22.282 10.678 1.00 0.38 O ATOM 867 CB THR A 58 -6.083 23.470 8.644 1.00 0.37 C ATOM 868 OG1 THR A 58 -6.760 22.925 7.516 1.00 0.41 O ATOM 869 CG2 THR A 58 -6.329 24.996 8.569 1.00 0.44 C ATOM 0 H THR A 58 -4.571 20.987 8.486 1.00 0.37 H new ATOM 0 HA THR A 58 -4.125 23.811 7.802 1.00 0.37 H new ATOM 0 HB THR A 58 -6.422 23.089 9.607 1.00 0.37 H new ATOM 0 HG1 THR A 58 -7.717 23.125 7.581 1.00 0.41 H new ATOM 0 HG21 THR A 58 -7.393 25.199 8.690 1.00 0.44 H new ATOM 0 HG22 THR A 58 -5.772 25.494 9.363 1.00 0.44 H new ATOM 0 HG23 THR A 58 -5.996 25.371 7.601 1.00 0.44 H new ATOM 877 N VAL A 59 -3.484 24.324 10.129 1.00 0.35 N ATOM 878 CA VAL A 59 -2.865 24.635 11.434 1.00 0.35 C ATOM 879 C VAL A 59 -3.472 25.957 11.900 1.00 0.34 C ATOM 880 O VAL A 59 -3.093 27.045 11.519 1.00 0.44 O ATOM 881 CB VAL A 59 -1.383 24.667 11.161 1.00 0.42 C ATOM 882 CG1 VAL A 59 -1.049 25.528 10.001 1.00 0.47 C ATOM 883 CG2 VAL A 59 -0.562 25.026 12.379 1.00 0.50 C ATOM 0 H VAL A 59 -3.404 25.074 9.443 1.00 0.35 H new ATOM 0 HA VAL A 59 -3.042 23.920 12.237 1.00 0.35 H new ATOM 0 HB VAL A 59 -1.107 23.645 10.899 1.00 0.42 H new ATOM 0 HG11 VAL A 59 0.029 25.521 9.841 1.00 0.47 H new ATOM 0 HG12 VAL A 59 -1.550 25.149 9.110 1.00 0.47 H new ATOM 0 HG13 VAL A 59 -1.380 26.548 10.197 1.00 0.47 H new ATOM 0 HG21 VAL A 59 0.496 25.032 12.116 1.00 0.50 H new ATOM 0 HG22 VAL A 59 -0.853 26.014 12.735 1.00 0.50 H new ATOM 0 HG23 VAL A 59 -0.736 24.291 13.165 1.00 0.50 H new ATOM 893 N THR A 60 -4.442 25.777 12.741 1.00 0.33 N ATOM 894 CA THR A 60 -5.186 26.941 13.322 1.00 0.33 C ATOM 895 C THR A 60 -4.737 27.145 14.761 1.00 0.31 C ATOM 896 O THR A 60 -4.415 26.193 15.432 1.00 0.41 O ATOM 897 CB THR A 60 -6.685 26.621 13.239 1.00 0.36 C ATOM 898 OG1 THR A 60 -6.935 26.536 11.843 1.00 0.41 O ATOM 899 CG2 THR A 60 -7.552 27.786 13.719 1.00 0.38 C ATOM 0 H THR A 60 -4.763 24.863 13.061 1.00 0.33 H new ATOM 0 HA THR A 60 -4.986 27.863 12.776 1.00 0.33 H new ATOM 0 HB THR A 60 -6.912 25.737 13.836 1.00 0.36 H new ATOM 0 HG1 THR A 60 -7.881 26.330 11.692 1.00 0.41 H new ATOM 0 HG21 THR A 60 -8.604 27.512 13.642 1.00 0.38 H new ATOM 0 HG22 THR A 60 -7.312 28.015 14.757 1.00 0.38 H new ATOM 0 HG23 THR A 60 -7.359 28.662 13.101 1.00 0.38 H new ATOM 907 N GLU A 61 -4.724 28.378 15.193 1.00 0.29 N ATOM 908 CA GLU A 61 -4.296 28.706 16.589 1.00 0.32 C ATOM 909 C GLU A 61 -5.366 29.644 17.133 1.00 0.32 C ATOM 910 O GLU A 61 -5.119 30.793 17.449 1.00 0.43 O ATOM 911 CB GLU A 61 -2.900 29.410 16.570 1.00 0.37 C ATOM 912 CG GLU A 61 -1.744 28.423 16.245 1.00 0.47 C ATOM 913 CD GLU A 61 -1.866 27.771 14.852 1.00 0.53 C ATOM 914 OE1 GLU A 61 -2.066 28.500 13.891 1.00 0.58 O ATOM 915 OE2 GLU A 61 -1.746 26.557 14.845 1.00 0.71 O ATOM 0 H GLU A 61 -4.995 29.185 14.631 1.00 0.29 H new ATOM 0 HA GLU A 61 -4.195 27.814 17.208 1.00 0.32 H new ATOM 0 HB2 GLU A 61 -2.910 30.210 15.830 1.00 0.37 H new ATOM 0 HB3 GLU A 61 -2.717 29.874 17.539 1.00 0.37 H new ATOM 0 HG2 GLU A 61 -0.794 28.955 16.307 1.00 0.47 H new ATOM 0 HG3 GLU A 61 -1.721 27.640 17.003 1.00 0.47 H new ATOM 922 N LYS A 62 -6.545 29.092 17.214 1.00 0.33 N ATOM 923 CA LYS A 62 -7.722 29.851 17.716 1.00 0.39 C ATOM 924 C LYS A 62 -8.306 29.153 18.966 1.00 0.50 C ATOM 925 O LYS A 62 -7.941 28.025 19.239 1.00 0.59 O ATOM 926 CB LYS A 62 -8.699 29.912 16.520 1.00 0.42 C ATOM 927 CG LYS A 62 -8.087 30.728 15.338 1.00 0.40 C ATOM 928 CD LYS A 62 -7.873 32.216 15.726 1.00 0.42 C ATOM 929 CE LYS A 62 -7.289 32.980 14.521 1.00 0.46 C ATOM 930 NZ LYS A 62 -7.073 34.411 14.882 1.00 0.58 N ATOM 0 H LYS A 62 -6.745 28.128 16.948 1.00 0.33 H new ATOM 0 HA LYS A 62 -7.482 30.861 18.048 1.00 0.39 H new ATOM 0 HB2 LYS A 62 -8.934 28.901 16.186 1.00 0.42 H new ATOM 0 HB3 LYS A 62 -9.637 30.369 16.835 1.00 0.42 H new ATOM 0 HG2 LYS A 62 -7.135 30.287 15.044 1.00 0.40 H new ATOM 0 HG3 LYS A 62 -8.747 30.668 14.472 1.00 0.40 H new ATOM 0 HD2 LYS A 62 -8.819 32.664 16.031 1.00 0.42 H new ATOM 0 HD3 LYS A 62 -7.197 32.288 16.578 1.00 0.42 H new ATOM 0 HE2 LYS A 62 -6.346 32.527 14.215 1.00 0.46 H new ATOM 0 HE3 LYS A 62 -7.968 32.909 13.671 1.00 0.46 H new ATOM 0 HZ1 LYS A 62 -6.679 34.920 14.065 1.00 0.58 H new ATOM 0 HZ2 LYS A 62 -7.980 34.841 15.153 1.00 0.58 H new ATOM 0 HZ3 LYS A 62 -6.409 34.471 15.680 1.00 0.58 H new ATOM 944 N PRO A 63 -9.186 29.825 19.688 1.00 0.60 N ATOM 945 CA PRO A 63 -9.836 29.291 20.925 1.00 0.75 C ATOM 946 C PRO A 63 -10.253 27.821 20.838 1.00 0.87 C ATOM 947 O PRO A 63 -10.073 27.059 21.768 1.00 1.06 O ATOM 948 CB PRO A 63 -11.002 30.254 21.158 1.00 0.76 C ATOM 949 CG PRO A 63 -10.390 31.595 20.697 1.00 0.69 C ATOM 950 CD PRO A 63 -9.676 31.205 19.389 1.00 0.63 C ATOM 0 HA PRO A 63 -9.145 29.261 21.767 1.00 0.75 H new ATOM 0 HB2 PRO A 63 -11.881 29.982 20.574 1.00 0.76 H new ATOM 0 HB3 PRO A 63 -11.309 30.281 22.203 1.00 0.76 H new ATOM 0 HG2 PRO A 63 -11.155 32.354 20.531 1.00 0.69 H new ATOM 0 HG3 PRO A 63 -9.695 31.998 21.434 1.00 0.69 H new ATOM 0 HD2 PRO A 63 -10.355 31.219 18.536 1.00 0.63 H new ATOM 0 HD3 PRO A 63 -8.857 31.885 19.155 1.00 0.63 H new ATOM 958 N GLU A 64 -10.799 27.494 19.700 1.00 0.85 N ATOM 959 CA GLU A 64 -11.274 26.108 19.419 1.00 1.00 C ATOM 960 C GLU A 64 -10.428 25.489 18.290 1.00 0.99 C ATOM 961 O GLU A 64 -10.162 24.306 18.426 1.00 1.22 O ATOM 962 CB GLU A 64 -12.791 26.161 19.027 1.00 1.17 C ATOM 963 CG GLU A 64 -13.081 26.923 17.700 1.00 1.19 C ATOM 964 CD GLU A 64 -12.617 28.389 17.773 1.00 1.05 C ATOM 965 OE1 GLU A 64 -13.198 29.108 18.568 1.00 1.09 O ATOM 966 OE2 GLU A 64 -11.701 28.708 17.032 1.00 1.00 O ATOM 967 OXT GLU A 64 -10.096 26.214 17.364 1.00 0.92 O ATOM 0 H GLU A 64 -10.940 28.149 18.931 1.00 0.85 H new ATOM 0 HA GLU A 64 -11.162 25.483 20.305 1.00 1.00 H new ATOM 0 HB2 GLU A 64 -13.167 25.142 18.937 1.00 1.17 H new ATOM 0 HB3 GLU A 64 -13.347 26.636 19.835 1.00 1.17 H new ATOM 0 HG2 GLU A 64 -12.576 26.422 16.875 1.00 1.19 H new ATOM 0 HG3 GLU A 64 -14.149 26.889 17.487 1.00 1.19 H new TER 974 GLU A 64