USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 629 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 55 THR OG1 : rot 133:sc= 1.12 USER MOD Set 1.2: A 57 SER OG : rot 180:sc= 0.936 USER MOD Set 2.1: A 22 THR OG1 : rot 180:sc= 0.136 USER MOD Set 2.2: A 25 ASN : amide:sc= -0.118 K(o=0.018,f=-2.1!) USER MOD Set 3.1: A 7 THR OG1 : rot 116:sc= 0.207 USER MOD Set 3.2: A 9 THR OG1 : rot 180:sc= 0.191 USER MOD Single : A 1 MET CE :methyl 151:sc= -0.194 (180deg=-1.48!) USER MOD Single : A 1 MET N :NH3+ -178:sc= 2.47 (180deg=2.31) USER MOD Single : A 2 GLN : amide:sc= 0 K(o=0,f=-0.69) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ -114:sc= 0.499 (180deg=-1.01!) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -87:sc= 0.296 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ -148:sc= 1.26 (180deg=1.12) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -0.123 K(o=-0.12,f=-0.91) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=-0.45) USER MOD Single : A 41 GLN : amide:sc= 1.25 K(o=1.3,f=-2.8!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc=-0.00718 X(o=-0.0072,f=-0.0072) USER MOD Single : A 59 TYR OH : rot 100:sc= 0.849 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0.892 (180deg=0.892) USER MOD Single : A 65 SER OG : rot -156:sc= 0.21 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HE2:sc= 0.105 K(o=0.11,f=-0.5) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 10.449 -6.915 -5.034 1.00 9.67 N ATOM 2 CA MET A 1 10.719 -7.016 -3.566 1.00 10.38 C ATOM 3 C MET A 1 9.557 -7.504 -2.748 1.00 9.62 C ATOM 4 O MET A 1 8.473 -6.925 -2.851 1.00 9.62 O ATOM 5 CB MET A 1 11.233 -5.617 -3.215 1.00 13.77 C ATOM 6 CG MET A 1 11.945 -5.489 -1.802 1.00 16.29 C ATOM 7 SD MET A 1 12.622 -3.808 -1.555 1.00 17.17 S ATOM 8 CE MET A 1 10.992 -3.038 -1.462 1.00 16.11 C ATOM 0 H1 MET A 1 11.311 -6.604 -5.525 1.00 9.67 H new ATOM 0 H2 MET A 1 10.159 -7.845 -5.398 1.00 9.67 H new ATOM 0 H3 MET A 1 9.688 -6.226 -5.200 1.00 9.67 H new ATOM 0 HA MET A 1 11.447 -7.789 -3.321 1.00 10.38 H new ATOM 0 HB2 MET A 1 11.935 -5.302 -3.987 1.00 13.77 H new ATOM 0 HB3 MET A 1 10.394 -4.922 -3.245 1.00 13.77 H new ATOM 0 HG2 MET A 1 11.232 -5.717 -1.010 1.00 16.29 H new ATOM 0 HG3 MET A 1 12.748 -6.222 -1.728 1.00 16.29 H new ATOM 0 HE1 MET A 1 11.044 -2.150 -0.832 1.00 16.11 H new ATOM 0 HE2 MET A 1 10.666 -2.754 -2.463 1.00 16.11 H new ATOM 0 HE3 MET A 1 10.280 -3.744 -1.036 1.00 16.11 H new ATOM 20 N GLN A 2 9.669 -8.504 -1.974 1.00 9.27 N ATOM 21 CA GLN A 2 8.606 -9.010 -1.262 1.00 9.07 C ATOM 22 C GLN A 2 8.270 -8.184 -0.107 1.00 8.72 C ATOM 23 O GLN A 2 9.125 -7.989 0.769 1.00 8.22 O ATOM 24 CB GLN A 2 8.876 -10.437 -0.785 1.00 14.46 C ATOM 25 CG GLN A 2 8.610 -11.464 -1.872 1.00 17.01 C ATOM 26 CD GLN A 2 8.850 -12.852 -1.439 1.00 20.10 C ATOM 27 OE1 GLN A 2 8.904 -13.174 -0.230 1.00 21.89 O ATOM 28 NE2 GLN A 2 9.007 -13.829 -2.377 1.00 19.49 N ATOM 0 H GLN A 2 10.545 -9.003 -1.822 1.00 9.27 H new ATOM 0 HA GLN A 2 7.761 -9.010 -1.951 1.00 9.07 H new ATOM 0 HB2 GLN A 2 9.912 -10.519 -0.456 1.00 14.46 H new ATOM 0 HB3 GLN A 2 8.249 -10.654 0.080 1.00 14.46 H new ATOM 0 HG2 GLN A 2 7.577 -11.369 -2.206 1.00 17.01 H new ATOM 0 HG3 GLN A 2 9.244 -11.245 -2.731 1.00 17.01 H new ATOM 0 HE21 GLN A 2 8.968 -13.595 -3.369 1.00 19.49 H new ATOM 0 HE22 GLN A 2 9.164 -14.794 -2.087 1.00 19.49 H new ATOM 37 N ILE A 3 7.010 -7.651 -0.045 1.00 5.87 N ATOM 38 CA ILE A 3 6.414 -6.873 1.012 1.00 5.07 C ATOM 39 C ILE A 3 5.079 -7.422 1.309 1.00 4.01 C ATOM 40 O ILE A 3 4.493 -8.241 0.562 1.00 4.61 O ATOM 41 CB ILE A 3 6.392 -5.369 0.687 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.657 -5.116 -0.595 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.798 -4.762 0.775 1.00 5.58 C ATOM 44 CD1 ILE A 3 4.626 -4.009 -0.453 1.00 10.83 C ATOM 0 H ILE A 3 6.355 -7.785 -0.816 1.00 5.87 H new ATOM 0 HA ILE A 3 7.027 -6.952 1.910 1.00 5.07 H new ATOM 0 HB ILE A 3 5.821 -4.834 1.446 1.00 6.55 H new ATOM 0 HG12 ILE A 3 6.370 -4.849 -1.375 1.00 4.72 H new ATOM 0 HG13 ILE A 3 5.162 -6.033 -0.916 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.751 -3.699 0.540 1.00 5.58 H new ATOM 0 HG22 ILE A 3 8.189 -4.894 1.784 1.00 5.58 H new ATOM 0 HG23 ILE A 3 8.455 -5.262 0.063 1.00 5.58 H new ATOM 0 HD11 ILE A 3 4.118 -3.860 -1.406 1.00 10.83 H new ATOM 0 HD12 ILE A 3 3.896 -4.287 0.308 1.00 10.83 H new ATOM 0 HD13 ILE A 3 5.123 -3.085 -0.159 1.00 10.83 H new ATOM 56 N PHE A 4 4.562 -7.146 2.506 1.00 4.55 N ATOM 57 CA PHE A 4 3.403 -7.780 2.999 1.00 4.68 C ATOM 58 C PHE A 4 2.388 -6.676 3.319 1.00 5.30 C ATOM 59 O PHE A 4 2.788 -5.659 3.921 1.00 5.58 O ATOM 60 CB PHE A 4 3.690 -8.610 4.325 1.00 4.83 C ATOM 61 CG PHE A 4 4.751 -9.643 4.147 1.00 7.97 C ATOM 62 CD1 PHE A 4 4.465 -10.726 3.226 1.00 6.69 C ATOM 63 CD2 PHE A 4 5.870 -9.719 4.900 1.00 8.34 C ATOM 64 CE1 PHE A 4 5.380 -11.750 3.084 1.00 9.10 C ATOM 65 CE2 PHE A 4 6.726 -10.785 4.895 1.00 10.61 C ATOM 66 CZ PHE A 4 6.500 -11.845 3.943 1.00 8.90 C ATOM 0 H PHE A 4 4.964 -6.462 3.147 1.00 4.55 H new ATOM 0 HA PHE A 4 3.035 -8.481 2.250 1.00 4.68 H new ATOM 0 HB2 PHE A 4 3.987 -7.925 5.119 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.769 -9.095 4.650 1.00 4.83 H new ATOM 0 HD1 PHE A 4 3.547 -10.731 2.658 1.00 6.69 H new ATOM 0 HD2 PHE A 4 6.103 -8.886 5.546 1.00 8.34 H new ATOM 0 HE1 PHE A 4 5.239 -12.487 2.308 1.00 9.10 H new ATOM 0 HE2 PHE A 4 7.553 -10.832 5.588 1.00 10.61 H new ATOM 0 HZ PHE A 4 7.170 -12.691 3.887 1.00 8.90 H new ATOM 76 N VAL A 5 1.144 -6.838 2.960 1.00 4.44 N ATOM 77 CA VAL A 5 0.106 -5.903 3.229 1.00 3.87 C ATOM 78 C VAL A 5 -1.040 -6.502 4.000 1.00 4.93 C ATOM 79 O VAL A 5 -1.723 -7.441 3.568 1.00 6.84 O ATOM 80 CB VAL A 5 -0.309 -5.239 2.014 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.265 -4.053 2.302 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.894 -4.892 1.110 1.00 9.13 C ATOM 0 H VAL A 5 0.821 -7.661 2.452 1.00 4.44 H new ATOM 0 HA VAL A 5 0.514 -5.140 3.892 1.00 3.87 H new ATOM 0 HB VAL A 5 -0.904 -5.941 1.430 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -1.553 -3.581 1.362 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.156 -4.419 2.812 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -0.759 -3.323 2.934 1.00 5.28 H new ATOM 0 HG21 VAL A 5 0.539 -4.394 0.207 1.00 9.13 H new ATOM 0 HG22 VAL A 5 1.573 -4.230 1.647 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.420 -5.807 0.837 1.00 9.13 H new ATOM 92 N LYS A 6 -1.277 -6.040 5.206 1.00 6.04 N ATOM 93 CA LYS A 6 -2.314 -6.462 6.153 1.00 6.12 C ATOM 94 C LYS A 6 -3.591 -5.657 6.031 1.00 6.57 C ATOM 95 O LYS A 6 -3.552 -4.435 6.011 1.00 5.76 O ATOM 96 CB LYS A 6 -1.850 -6.323 7.652 1.00 7.45 C ATOM 97 CG LYS A 6 -0.611 -7.141 8.071 1.00 11.12 C ATOM 98 CD LYS A 6 -0.402 -6.775 9.554 1.00 14.54 C ATOM 99 CE LYS A 6 0.553 -7.709 10.302 1.00 18.84 C ATOM 100 NZ LYS A 6 0.053 -9.112 10.460 1.00 20.55 N ATOM 0 H LYS A 6 -0.704 -5.292 5.595 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.496 -7.505 5.894 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -1.646 -5.271 7.849 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -2.682 -6.612 8.294 1.00 7.45 H new ATOM 0 HG2 LYS A 6 -0.778 -8.211 7.944 1.00 11.12 H new ATOM 0 HG3 LYS A 6 0.260 -6.881 7.470 1.00 11.12 H new ATOM 0 HD2 LYS A 6 -0.018 -5.757 9.615 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -1.368 -6.782 10.058 1.00 14.54 H new ATOM 0 HE2 LYS A 6 1.506 -7.734 9.773 1.00 18.84 H new ATOM 0 HE3 LYS A 6 0.748 -7.293 11.290 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 0.758 -9.676 10.976 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 -0.841 -9.104 10.992 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 -0.107 -9.531 9.522 1.00 20.55 H new ATOM 114 N THR A 7 -4.784 -6.345 5.993 1.00 7.41 N ATOM 115 CA THR A 7 -6.072 -5.658 5.678 1.00 7.48 C ATOM 116 C THR A 7 -6.889 -5.723 7.013 1.00 8.75 C ATOM 117 O THR A 7 -6.696 -6.685 7.815 1.00 8.58 O ATOM 118 CB THR A 7 -6.897 -6.316 4.519 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.584 -7.476 4.892 1.00 11.78 O ATOM 120 CG2 THR A 7 -5.844 -6.686 3.468 1.00 9.17 C ATOM 0 H THR A 7 -4.872 -7.345 6.172 1.00 7.41 H new ATOM 0 HA THR A 7 -5.869 -4.648 5.323 1.00 7.48 H new ATOM 0 HB THR A 7 -7.666 -5.623 4.178 1.00 9.61 H new ATOM 0 HG1 THR A 7 -8.549 -7.323 4.816 1.00 11.78 H new ATOM 0 HG21 THR A 7 -6.332 -7.156 2.614 1.00 9.17 H new ATOM 0 HG22 THR A 7 -5.326 -5.785 3.140 1.00 9.17 H new ATOM 0 HG23 THR A 7 -5.125 -7.380 3.902 1.00 9.17 H new ATOM 128 N LEU A 8 -7.888 -4.883 7.214 1.00 9.84 N ATOM 129 CA LEU A 8 -8.591 -4.810 8.421 1.00 14.15 C ATOM 130 C LEU A 8 -9.642 -5.940 8.543 1.00 17.37 C ATOM 131 O LEU A 8 -10.134 -6.176 9.607 1.00 17.01 O ATOM 132 CB LEU A 8 -9.232 -3.485 8.727 1.00 16.63 C ATOM 133 CG LEU A 8 -8.270 -2.323 8.725 1.00 18.88 C ATOM 134 CD1 LEU A 8 -9.069 -1.043 8.691 1.00 19.31 C ATOM 135 CD2 LEU A 8 -7.375 -2.307 9.945 1.00 18.59 C ATOM 0 H LEU A 8 -8.219 -4.228 6.506 1.00 9.84 H new ATOM 0 HA LEU A 8 -7.811 -4.938 9.172 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -10.017 -3.295 7.995 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -9.714 -3.543 9.703 1.00 16.63 H new ATOM 0 HG LEU A 8 -7.628 -2.422 7.850 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -8.390 -0.190 8.689 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -9.682 -1.021 7.790 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -9.713 -0.992 9.569 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -6.703 -1.450 9.892 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -7.987 -2.233 10.844 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -6.790 -3.226 9.979 1.00 18.59 H new ATOM 147 N THR A 9 -9.788 -6.786 7.458 1.00 18.33 N ATOM 148 CA THR A 9 -10.658 -7.915 7.470 1.00 19.24 C ATOM 149 C THR A 9 -9.832 -9.121 7.784 1.00 19.48 C ATOM 150 O THR A 9 -10.125 -10.233 7.447 1.00 23.14 O ATOM 151 CB THR A 9 -11.431 -8.054 6.167 1.00 18.97 C ATOM 152 OG1 THR A 9 -10.611 -7.921 5.005 1.00 20.24 O ATOM 153 CG2 THR A 9 -12.498 -6.891 6.226 1.00 19.70 C ATOM 0 H THR A 9 -9.286 -6.662 6.579 1.00 18.33 H new ATOM 0 HA THR A 9 -11.424 -7.791 8.236 1.00 19.24 H new ATOM 0 HB THR A 9 -11.870 -9.048 6.080 1.00 18.97 H new ATOM 0 HG1 THR A 9 -11.163 -8.021 4.202 1.00 20.24 H new ATOM 0 HG21 THR A 9 -13.107 -6.910 5.323 1.00 19.70 H new ATOM 0 HG22 THR A 9 -13.137 -7.028 7.098 1.00 19.70 H new ATOM 0 HG23 THR A 9 -11.986 -5.931 6.298 1.00 19.70 H new ATOM 161 N GLY A 10 -8.610 -8.949 8.347 1.00 19.43 N ATOM 162 CA GLY A 10 -7.733 -9.965 8.912 1.00 18.74 C ATOM 163 C GLY A 10 -6.976 -10.759 7.967 1.00 17.62 C ATOM 164 O GLY A 10 -6.281 -11.670 8.392 1.00 19.74 O ATOM 0 H GLY A 10 -8.195 -8.020 8.415 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -7.031 -9.474 9.586 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -8.338 -10.640 9.518 1.00 18.74 H new ATOM 168 N LYS A 11 -7.007 -10.395 6.694 1.00 13.56 N ATOM 169 CA LYS A 11 -6.190 -11.144 5.727 1.00 11.91 C ATOM 170 C LYS A 11 -4.791 -10.484 5.623 1.00 10.18 C ATOM 171 O LYS A 11 -4.671 -9.281 5.870 1.00 9.10 O ATOM 172 CB LYS A 11 -6.886 -11.098 4.361 1.00 13.43 C ATOM 173 CG LYS A 11 -6.233 -11.935 3.261 1.00 16.69 C ATOM 174 CD LYS A 11 -7.198 -11.907 2.093 1.00 17.92 C ATOM 175 CE LYS A 11 -6.746 -12.816 0.892 1.00 20.81 C ATOM 176 NZ LYS A 11 -7.807 -12.945 -0.095 1.00 21.93 N ATOM 0 H LYS A 11 -7.557 -9.626 6.311 1.00 13.56 H new ATOM 0 HA LYS A 11 -6.075 -12.179 6.049 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -7.916 -11.434 4.486 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -6.927 -10.061 4.028 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -5.265 -11.522 2.978 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -6.058 -12.956 3.599 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -8.181 -12.231 2.435 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -7.304 -10.880 1.743 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -5.859 -12.390 0.423 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -6.468 -13.803 1.263 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -8.137 -13.931 -0.123 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -8.599 -12.322 0.163 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -7.445 -12.674 -1.031 1.00 21.93 H new ATOM 190 N THR A 12 -3.801 -11.230 5.234 1.00 9.63 N ATOM 191 CA THR A 12 -2.541 -10.587 4.831 1.00 9.85 C ATOM 192 C THR A 12 -2.338 -11.094 3.440 1.00 11.66 C ATOM 193 O THR A 12 -2.600 -12.280 3.146 1.00 12.33 O ATOM 194 CB THR A 12 -1.388 -11.014 5.715 1.00 10.85 C ATOM 195 OG1 THR A 12 -1.607 -10.523 7.045 1.00 10.91 O ATOM 196 CG2 THR A 12 -0.023 -10.431 5.196 1.00 9.63 C ATOM 0 H THR A 12 -3.815 -12.248 5.180 1.00 9.63 H new ATOM 0 HA THR A 12 -2.583 -9.500 4.906 1.00 9.85 H new ATOM 0 HB THR A 12 -1.338 -12.103 5.700 1.00 10.85 H new ATOM 0 HG1 THR A 12 -0.864 -10.798 7.622 1.00 10.91 H new ATOM 0 HG21 THR A 12 0.784 -10.756 5.852 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.165 -10.790 4.184 1.00 9.63 H new ATOM 0 HG23 THR A 12 -0.071 -9.342 5.191 1.00 9.63 H new ATOM 204 N ILE A 13 -1.943 -10.192 2.504 1.00 10.42 N ATOM 205 CA ILE A 13 -1.466 -10.424 1.147 1.00 11.84 C ATOM 206 C ILE A 13 -0.020 -10.120 0.892 1.00 10.55 C ATOM 207 O ILE A 13 0.501 -9.133 1.466 1.00 11.92 O ATOM 208 CB ILE A 13 -2.319 -9.825 0.104 1.00 14.86 C ATOM 209 CG1 ILE A 13 -2.439 -8.323 0.234 1.00 14.87 C ATOM 210 CG2 ILE A 13 -3.698 -10.453 0.154 1.00 17.08 C ATOM 211 CD1 ILE A 13 -2.873 -7.584 -1.017 1.00 16.46 C ATOM 0 H ILE A 13 -1.958 -9.195 2.717 1.00 10.42 H new ATOM 0 HA ILE A 13 -1.549 -11.508 1.071 1.00 11.84 H new ATOM 0 HB ILE A 13 -1.842 -10.026 -0.856 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -3.151 -8.102 1.029 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -1.474 -7.927 0.551 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -4.328 -10.010 -0.617 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -3.615 -11.526 -0.017 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -4.143 -10.275 1.133 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -2.925 -6.515 -0.809 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -2.152 -7.763 -1.814 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -3.854 -7.941 -1.329 1.00 16.46 H new ATOM 223 N THR A 14 0.702 -10.893 0.052 1.00 9.39 N ATOM 224 CA THR A 14 2.103 -10.674 -0.307 1.00 9.63 C ATOM 225 C THR A 14 2.133 -9.988 -1.645 1.00 11.20 C ATOM 226 O THR A 14 1.560 -10.427 -2.638 1.00 11.63 O ATOM 227 CB THR A 14 3.054 -11.771 -0.463 1.00 10.38 C ATOM 228 OG1 THR A 14 2.965 -12.540 0.691 1.00 16.30 O ATOM 229 CG2 THR A 14 4.511 -11.216 -0.473 1.00 11.66 C ATOM 0 H THR A 14 0.303 -11.713 -0.406 1.00 9.39 H new ATOM 0 HA THR A 14 2.443 -10.146 0.584 1.00 9.63 H new ATOM 0 HB THR A 14 2.838 -12.317 -1.381 1.00 10.38 H new ATOM 0 HG1 THR A 14 3.570 -12.179 1.372 1.00 16.30 H new ATOM 0 HG21 THR A 14 5.214 -12.041 -0.590 1.00 11.66 H new ATOM 0 HG22 THR A 14 4.629 -10.519 -1.302 1.00 11.66 H new ATOM 0 HG23 THR A 14 4.710 -10.700 0.466 1.00 11.66 H new ATOM 237 N LEU A 15 2.932 -8.909 -1.737 1.00 8.29 N ATOM 238 CA LEU A 15 3.192 -8.149 -2.965 1.00 9.03 C ATOM 239 C LEU A 15 4.684 -8.175 -3.397 1.00 8.59 C ATOM 240 O LEU A 15 5.567 -7.996 -2.599 1.00 7.79 O ATOM 241 CB LEU A 15 2.726 -6.642 -2.912 1.00 11.08 C ATOM 242 CG LEU A 15 1.316 -6.420 -2.433 1.00 15.79 C ATOM 243 CD1 LEU A 15 1.046 -4.926 -2.299 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.190 -6.969 -3.375 1.00 15.27 C ATOM 0 H LEU A 15 3.429 -8.533 -0.930 1.00 8.29 H new ATOM 0 HA LEU A 15 2.584 -8.672 -3.703 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.404 -6.092 -2.260 1.00 11.08 H new ATOM 0 HB3 LEU A 15 2.825 -6.213 -3.909 1.00 11.08 H new ATOM 0 HG LEU A 15 1.270 -6.967 -1.491 1.00 15.79 H new ATOM 0 HD11 LEU A 15 0.024 -4.771 -1.952 1.00 15.88 H new ATOM 0 HD12 LEU A 15 1.743 -4.493 -1.581 1.00 15.88 H new ATOM 0 HD13 LEU A 15 1.177 -4.444 -3.268 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.786 -6.757 -2.938 1.00 15.27 H new ATOM 0 HD22 LEU A 15 0.263 -6.486 -4.349 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.308 -8.046 -3.494 1.00 15.27 H new ATOM 256 N GLU A 16 4.875 -8.321 -4.697 1.00 11.04 N ATOM 257 CA GLU A 16 6.114 -8.252 -5.381 1.00 11.50 C ATOM 258 C GLU A 16 6.104 -6.919 -6.178 1.00 10.13 C ATOM 259 O GLU A 16 5.445 -6.771 -7.263 1.00 9.83 O ATOM 260 CB GLU A 16 6.287 -9.418 -6.321 1.00 17.22 C ATOM 261 CG GLU A 16 7.690 -9.627 -6.957 1.00 23.33 C ATOM 262 CD GLU A 16 8.732 -10.145 -5.977 1.00 26.99 C ATOM 263 OE1 GLU A 16 8.656 -11.356 -5.612 1.00 28.86 O ATOM 264 OE2 GLU A 16 9.653 -9.372 -5.678 1.00 28.90 O ATOM 0 H GLU A 16 4.097 -8.504 -5.331 1.00 11.04 H new ATOM 0 HA GLU A 16 6.943 -8.291 -4.674 1.00 11.50 H new ATOM 0 HB2 GLU A 16 6.024 -10.327 -5.780 1.00 17.22 H new ATOM 0 HB3 GLU A 16 5.564 -9.308 -7.130 1.00 17.22 H new ATOM 0 HG2 GLU A 16 7.603 -10.329 -7.786 1.00 23.33 H new ATOM 0 HG3 GLU A 16 8.035 -8.681 -7.375 1.00 23.33 H new ATOM 271 N VAL A 17 6.837 -5.926 -5.682 1.00 8.99 N ATOM 272 CA VAL A 17 6.856 -4.610 -6.264 1.00 8.85 C ATOM 273 C VAL A 17 8.330 -4.138 -6.204 1.00 8.04 C ATOM 274 O VAL A 17 9.149 -4.530 -5.446 1.00 8.99 O ATOM 275 CB VAL A 17 5.958 -3.649 -5.571 1.00 9.78 C ATOM 276 CG1 VAL A 17 4.536 -3.961 -5.995 1.00 12.05 C ATOM 277 CG2 VAL A 17 6.144 -3.781 -4.025 1.00 10.54 C ATOM 0 H VAL A 17 7.434 -6.024 -4.861 1.00 8.99 H new ATOM 0 HA VAL A 17 6.480 -4.651 -7.286 1.00 8.85 H new ATOM 0 HB VAL A 17 6.194 -2.619 -5.839 1.00 9.78 H new ATOM 0 HG11 VAL A 17 3.850 -3.272 -5.503 1.00 12.05 H new ATOM 0 HG12 VAL A 17 4.446 -3.852 -7.076 1.00 12.05 H new ATOM 0 HG13 VAL A 17 4.288 -4.984 -5.712 1.00 12.05 H new ATOM 0 HG21 VAL A 17 5.485 -3.076 -3.518 1.00 10.54 H new ATOM 0 HG22 VAL A 17 5.897 -4.796 -3.714 1.00 10.54 H new ATOM 0 HG23 VAL A 17 7.179 -3.563 -3.763 1.00 10.54 H new ATOM 287 N GLU A 18 8.750 -3.257 -7.071 1.00 7.29 N ATOM 288 CA GLU A 18 10.087 -2.733 -7.253 1.00 7.08 C ATOM 289 C GLU A 18 10.323 -1.577 -6.250 1.00 6.45 C ATOM 290 O GLU A 18 9.367 -1.047 -5.714 1.00 5.28 O ATOM 291 CB GLU A 18 10.225 -2.302 -8.704 1.00 10.28 C ATOM 292 CG GLU A 18 10.324 -3.408 -9.710 1.00 12.65 C ATOM 293 CD GLU A 18 11.600 -4.197 -9.639 1.00 14.15 C ATOM 294 OE1 GLU A 18 12.662 -3.756 -10.148 1.00 18.17 O ATOM 295 OE2 GLU A 18 11.562 -5.297 -9.003 1.00 14.33 O ATOM 0 H GLU A 18 8.100 -2.842 -7.739 1.00 7.29 H new ATOM 0 HA GLU A 18 10.851 -3.483 -7.050 1.00 7.08 H new ATOM 0 HB2 GLU A 18 9.368 -1.679 -8.961 1.00 10.28 H new ATOM 0 HB3 GLU A 18 11.112 -1.675 -8.794 1.00 10.28 H new ATOM 0 HG2 GLU A 18 9.483 -4.087 -9.570 1.00 12.65 H new ATOM 0 HG3 GLU A 18 10.228 -2.984 -10.709 1.00 12.65 H new ATOM 302 N PRO A 19 11.567 -1.157 -5.975 1.00 7.24 N ATOM 303 CA PRO A 19 11.817 0.045 -5.190 1.00 7.07 C ATOM 304 C PRO A 19 11.378 1.309 -5.898 1.00 6.65 C ATOM 305 O PRO A 19 11.107 2.317 -5.206 1.00 6.37 O ATOM 306 CB PRO A 19 13.327 0.026 -4.908 1.00 7.61 C ATOM 307 CG PRO A 19 13.944 -0.934 -5.921 1.00 8.16 C ATOM 308 CD PRO A 19 12.815 -1.954 -6.243 1.00 7.49 C ATOM 0 HA PRO A 19 11.234 0.048 -4.269 1.00 7.07 H new ATOM 0 HB2 PRO A 19 13.753 1.024 -5.010 1.00 7.61 H new ATOM 0 HB3 PRO A 19 13.527 -0.304 -3.889 1.00 7.61 H new ATOM 0 HG2 PRO A 19 14.268 -0.407 -6.818 1.00 8.16 H new ATOM 0 HG3 PRO A 19 14.822 -1.433 -5.509 1.00 8.16 H new ATOM 0 HD2 PRO A 19 12.862 -2.298 -7.276 1.00 7.49 H new ATOM 0 HD3 PRO A 19 12.875 -2.839 -5.609 1.00 7.49 H new ATOM 316 N SER A 20 11.473 1.320 -7.238 1.00 6.80 N ATOM 317 CA SER A 20 11.149 2.344 -8.220 1.00 6.28 C ATOM 318 C SER A 20 9.667 2.434 -8.529 1.00 8.45 C ATOM 319 O SER A 20 9.211 3.438 -9.104 1.00 7.26 O ATOM 320 CB SER A 20 11.804 2.074 -9.642 1.00 8.57 C ATOM 321 OG SER A 20 11.558 0.719 -10.104 1.00 11.13 O ATOM 0 H SER A 20 11.830 0.490 -7.712 1.00 6.80 H new ATOM 0 HA SER A 20 11.530 3.250 -7.748 1.00 6.28 H new ATOM 0 HB2 SER A 20 11.403 2.783 -10.367 1.00 8.57 H new ATOM 0 HB3 SER A 20 12.878 2.249 -9.586 1.00 8.57 H new ATOM 0 HG SER A 20 11.975 0.592 -10.982 1.00 11.13 H new ATOM 327 N ASP A 21 8.826 1.472 -8.083 1.00 7.50 N ATOM 328 CA ASP A 21 7.428 1.600 -8.082 1.00 7.70 C ATOM 329 C ASP A 21 6.934 2.592 -7.052 1.00 7.08 C ATOM 330 O ASP A 21 7.612 2.910 -6.038 1.00 8.11 O ATOM 331 CB ASP A 21 6.857 0.174 -7.700 1.00 11.00 C ATOM 332 CG ASP A 21 6.943 -0.758 -8.942 1.00 15.32 C ATOM 333 OD1 ASP A 21 6.952 -0.315 -10.116 1.00 18.03 O ATOM 334 OD2 ASP A 21 6.831 -2.012 -8.749 1.00 14.36 O ATOM 0 H ASP A 21 9.152 0.579 -7.713 1.00 7.50 H new ATOM 0 HA ASP A 21 7.101 1.957 -9.059 1.00 7.70 H new ATOM 0 HB2 ASP A 21 7.426 -0.249 -6.872 1.00 11.00 H new ATOM 0 HB3 ASP A 21 5.823 0.260 -7.365 1.00 11.00 H new ATOM 339 N THR A 22 5.726 3.103 -7.312 1.00 5.37 N ATOM 340 CA THR A 22 5.061 4.135 -6.471 1.00 6.01 C ATOM 341 C THR A 22 3.992 3.546 -5.580 1.00 8.01 C ATOM 342 O THR A 22 3.521 2.417 -5.824 1.00 8.11 O ATOM 343 CB THR A 22 4.486 5.230 -7.332 1.00 8.92 C ATOM 344 OG1 THR A 22 3.617 4.704 -8.313 1.00 10.22 O ATOM 345 CG2 THR A 22 5.627 6.101 -7.959 1.00 9.65 C ATOM 0 H THR A 22 5.168 2.817 -8.116 1.00 5.37 H new ATOM 0 HA THR A 22 5.825 4.560 -5.820 1.00 6.01 H new ATOM 0 HB THR A 22 3.888 5.886 -6.699 1.00 8.92 H new ATOM 0 HG1 THR A 22 3.257 5.435 -8.857 1.00 10.22 H new ATOM 0 HG21 THR A 22 5.189 6.885 -8.576 1.00 9.65 H new ATOM 0 HG22 THR A 22 6.218 6.554 -7.163 1.00 9.65 H new ATOM 0 HG23 THR A 22 6.269 5.471 -8.574 1.00 9.65 H new ATOM 353 N ILE A 23 3.474 4.364 -4.659 1.00 8.32 N ATOM 354 CA ILE A 23 2.387 3.984 -3.802 1.00 9.92 C ATOM 355 C ILE A 23 1.155 3.815 -4.658 1.00 10.01 C ATOM 356 O ILE A 23 0.463 2.816 -4.372 1.00 8.71 O ATOM 357 CB ILE A 23 2.224 4.893 -2.550 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.256 4.721 -1.456 1.00 11.38 C ATOM 359 CG2 ILE A 23 0.767 4.824 -1.930 1.00 10.90 C ATOM 360 CD1 ILE A 23 4.701 4.507 -1.822 1.00 12.30 C ATOM 0 H ILE A 23 3.812 5.313 -4.499 1.00 8.32 H new ATOM 0 HA ILE A 23 2.600 3.023 -3.334 1.00 9.92 H new ATOM 0 HB ILE A 23 2.402 5.886 -2.964 1.00 10.78 H new ATOM 0 HG12 ILE A 23 3.208 5.606 -0.821 1.00 11.38 H new ATOM 0 HG13 ILE A 23 2.945 3.873 -0.845 1.00 11.38 H new ATOM 0 HG21 ILE A 23 0.711 5.478 -1.059 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.039 5.147 -2.674 1.00 10.90 H new ATOM 0 HG23 ILE A 23 0.548 3.800 -1.629 1.00 10.90 H new ATOM 0 HD11 ILE A 23 5.295 4.404 -0.914 1.00 12.30 H new ATOM 0 HD12 ILE A 23 4.794 3.601 -2.421 1.00 12.30 H new ATOM 0 HD13 ILE A 23 5.061 5.361 -2.396 1.00 12.30 H new ATOM 372 N GLU A 24 0.932 4.695 -5.687 1.00 9.54 N ATOM 373 CA GLU A 24 -0.151 4.574 -6.667 1.00 11.81 C ATOM 374 C GLU A 24 -0.033 3.184 -7.385 1.00 11.14 C ATOM 375 O GLU A 24 -1.013 2.472 -7.514 1.00 10.62 O ATOM 376 CB GLU A 24 0.054 5.643 -7.719 1.00 19.24 C ATOM 377 CG GLU A 24 -1.056 5.715 -8.759 1.00 27.76 C ATOM 378 CD GLU A 24 -0.892 7.041 -9.479 1.00 32.92 C ATOM 379 OE1 GLU A 24 -0.090 7.028 -10.513 1.00 34.80 O ATOM 380 OE2 GLU A 24 -1.491 8.094 -9.103 1.00 36.51 O ATOM 0 H GLU A 24 1.520 5.514 -5.843 1.00 9.54 H new ATOM 0 HA GLU A 24 -1.118 4.673 -6.174 1.00 11.81 H new ATOM 0 HB2 GLU A 24 0.138 6.611 -7.226 1.00 19.24 H new ATOM 0 HB3 GLU A 24 1.001 5.461 -8.227 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -0.985 4.883 -9.459 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -2.035 5.650 -8.285 1.00 27.76 H new ATOM 387 N ASN A 25 1.182 2.770 -7.736 1.00 9.43 N ATOM 388 CA ASN A 25 1.405 1.398 -8.281 1.00 10.96 C ATOM 389 C ASN A 25 1.133 0.213 -7.405 1.00 9.68 C ATOM 390 O ASN A 25 0.604 -0.775 -7.798 1.00 9.33 O ATOM 391 CB ASN A 25 2.848 1.167 -8.722 1.00 16.78 C ATOM 392 CG ASN A 25 3.298 2.021 -9.911 1.00 22.31 C ATOM 393 OD1 ASN A 25 4.526 2.210 -10.074 1.00 25.66 O ATOM 394 ND2 ASN A 25 2.441 2.403 -10.832 1.00 24.70 N ATOM 0 H ASN A 25 2.025 3.340 -7.662 1.00 9.43 H new ATOM 0 HA ASN A 25 0.663 1.426 -9.079 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.508 1.367 -7.878 1.00 16.78 H new ATOM 0 HB3 ASN A 25 2.971 0.115 -8.980 1.00 16.78 H new ATOM 0 HD21 ASN A 25 2.775 2.855 -11.683 1.00 24.70 H new ATOM 0 HD22 ASN A 25 1.442 2.247 -10.695 1.00 24.70 H new ATOM 401 N VAL A 26 1.435 0.348 -6.098 1.00 6.52 N ATOM 402 CA VAL A 26 1.032 -0.594 -5.000 1.00 5.53 C ATOM 403 C VAL A 26 -0.453 -0.687 -4.872 1.00 4.42 C ATOM 404 O VAL A 26 -0.989 -1.770 -4.810 1.00 3.40 O ATOM 405 CB VAL A 26 1.757 -0.316 -3.691 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.309 -1.223 -2.519 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.318 -0.478 -3.744 1.00 8.12 C ATOM 0 H VAL A 26 1.983 1.136 -5.752 1.00 6.52 H new ATOM 0 HA VAL A 26 1.365 -1.592 -5.286 1.00 5.53 H new ATOM 0 HB VAL A 26 1.484 0.726 -3.527 1.00 3.86 H new ATOM 0 HG11 VAL A 26 1.872 -0.963 -1.622 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.244 -1.079 -2.334 1.00 7.25 H new ATOM 0 HG13 VAL A 26 1.495 -2.266 -2.775 1.00 7.25 H new ATOM 0 HG21 VAL A 26 3.740 -0.258 -2.763 1.00 8.12 H new ATOM 0 HG22 VAL A 26 3.568 -1.501 -4.026 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.731 0.212 -4.480 1.00 8.12 H new ATOM 417 N LYS A 27 -1.178 0.461 -4.882 1.00 2.64 N ATOM 418 CA LYS A 27 -2.599 0.517 -4.772 1.00 4.14 C ATOM 419 C LYS A 27 -3.241 -0.144 -5.996 1.00 5.58 C ATOM 420 O LYS A 27 -4.273 -0.807 -5.903 1.00 4.11 O ATOM 421 CB LYS A 27 -3.110 1.934 -4.619 1.00 3.97 C ATOM 422 CG LYS A 27 -2.742 2.416 -3.188 1.00 7.45 C ATOM 423 CD LYS A 27 -3.145 3.926 -2.906 1.00 9.02 C ATOM 424 CE LYS A 27 -3.075 4.369 -1.503 1.00 12.90 C ATOM 425 NZ LYS A 27 -3.487 5.769 -1.326 1.00 15.47 N ATOM 0 H LYS A 27 -0.747 1.381 -4.971 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.878 -0.025 -3.869 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.662 2.585 -5.369 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -4.189 1.970 -4.769 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -3.236 1.774 -2.459 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.668 2.301 -3.039 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -2.497 4.570 -3.501 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -4.163 4.081 -3.263 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -3.711 3.728 -0.892 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -2.055 4.246 -1.139 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -2.952 6.191 -0.540 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -3.296 6.300 -2.200 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -4.504 5.807 -1.113 1.00 15.47 H new ATOM 439 N ALA A 28 -2.618 -0.042 -7.188 1.00 6.61 N ATOM 440 CA ALA A 28 -2.962 -0.814 -8.339 1.00 7.74 C ATOM 441 C ALA A 28 -2.620 -2.335 -8.251 1.00 9.17 C ATOM 442 O ALA A 28 -3.374 -3.197 -8.680 1.00 11.45 O ATOM 443 CB ALA A 28 -2.327 -0.269 -9.601 1.00 7.68 C ATOM 0 H ALA A 28 -1.846 0.604 -7.352 1.00 6.61 H new ATOM 0 HA ALA A 28 -4.048 -0.723 -8.375 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.616 -0.888 -10.450 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -2.665 0.754 -9.766 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -1.242 -0.281 -9.497 1.00 7.68 H new ATOM 449 N LYS A 29 -1.499 -2.724 -7.639 1.00 8.96 N ATOM 450 CA LYS A 29 -1.145 -4.113 -7.367 1.00 7.90 C ATOM 451 C LYS A 29 -2.083 -4.852 -6.378 1.00 6.92 C ATOM 452 O LYS A 29 -2.493 -6.018 -6.581 1.00 6.87 O ATOM 453 CB LYS A 29 0.302 -4.162 -6.767 1.00 10.28 C ATOM 454 CG LYS A 29 0.903 -5.527 -6.806 1.00 14.94 C ATOM 455 CD LYS A 29 1.559 -5.829 -8.167 1.00 19.69 C ATOM 456 CE LYS A 29 2.236 -7.202 -8.292 1.00 22.63 C ATOM 457 NZ LYS A 29 2.907 -7.367 -9.578 1.00 24.98 N ATOM 0 H LYS A 29 -0.796 -2.062 -7.312 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.232 -4.624 -8.326 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.942 -3.473 -7.319 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.273 -3.813 -5.735 1.00 10.28 H new ATOM 0 HG2 LYS A 29 1.648 -5.618 -6.016 1.00 14.94 H new ATOM 0 HG3 LYS A 29 0.131 -6.269 -6.603 1.00 14.94 H new ATOM 0 HD2 LYS A 29 0.797 -5.749 -8.942 1.00 19.69 H new ATOM 0 HD3 LYS A 29 2.303 -5.058 -8.370 1.00 19.69 H new ATOM 0 HE2 LYS A 29 2.961 -7.323 -7.487 1.00 22.63 H new ATOM 0 HE3 LYS A 29 1.489 -7.987 -8.170 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 3.350 -8.307 -9.620 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 2.212 -7.277 -10.346 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 3.638 -6.635 -9.685 1.00 24.98 H new ATOM 471 N ILE A 30 -2.600 -4.100 -5.367 1.00 4.57 N ATOM 472 CA ILE A 30 -3.639 -4.501 -4.386 1.00 5.58 C ATOM 473 C ILE A 30 -4.969 -4.638 -5.049 1.00 7.26 C ATOM 474 O ILE A 30 -5.742 -5.522 -4.771 1.00 9.46 O ATOM 475 CB ILE A 30 -3.715 -3.532 -3.230 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.276 -3.553 -2.523 1.00 2.94 C ATOM 477 CG2 ILE A 30 -4.880 -3.839 -2.297 1.00 2.78 C ATOM 478 CD1 ILE A 30 -2.050 -2.552 -1.380 1.00 2.00 C ATOM 0 H ILE A 30 -2.282 -3.144 -5.209 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.353 -5.473 -3.983 1.00 5.58 H new ATOM 0 HB ILE A 30 -3.932 -2.519 -3.570 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -2.103 -4.557 -2.134 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.520 -3.372 -3.287 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -4.893 -3.116 -1.482 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -5.816 -3.778 -2.852 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -4.765 -4.843 -1.889 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.039 -2.669 -0.988 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -2.179 -1.537 -1.755 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -2.771 -2.739 -0.584 1.00 2.00 H new ATOM 490 N GLN A 31 -5.263 -3.816 -6.071 1.00 7.06 N ATOM 491 CA GLN A 31 -6.437 -4.023 -6.983 1.00 8.67 C ATOM 492 C GLN A 31 -6.330 -5.262 -7.848 1.00 10.90 C ATOM 493 O GLN A 31 -7.314 -5.940 -8.047 1.00 9.63 O ATOM 494 CB GLN A 31 -6.560 -2.775 -7.939 1.00 9.12 C ATOM 495 CG GLN A 31 -7.915 -2.706 -8.679 1.00 10.76 C ATOM 496 CD GLN A 31 -8.092 -1.465 -9.597 1.00 13.78 C ATOM 497 OE1 GLN A 31 -9.022 -0.624 -9.494 1.00 14.48 O ATOM 498 NE2 GLN A 31 -7.079 -1.208 -10.404 1.00 14.76 N ATOM 0 H GLN A 31 -4.708 -2.991 -6.300 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.309 -4.148 -6.342 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.425 -1.864 -7.356 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -5.754 -2.806 -8.672 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -8.030 -3.606 -9.282 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.717 -2.712 -7.941 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -6.318 -1.881 -10.497 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -7.057 -0.337 -10.934 1.00 14.76 H new ATOM 507 N ASP A 32 -5.169 -5.658 -8.330 1.00 10.93 N ATOM 508 CA ASP A 32 -4.903 -6.908 -9.045 1.00 14.01 C ATOM 509 C ASP A 32 -5.147 -8.147 -8.143 1.00 14.04 C ATOM 510 O ASP A 32 -5.696 -9.127 -8.584 1.00 13.39 O ATOM 511 CB ASP A 32 -3.517 -6.945 -9.682 1.00 18.01 C ATOM 512 CG ASP A 32 -3.437 -8.087 -10.726 1.00 24.33 C ATOM 513 OD1 ASP A 32 -4.212 -7.940 -11.770 1.00 26.29 O ATOM 514 OD2 ASP A 32 -2.594 -8.983 -10.641 1.00 25.17 O ATOM 0 H ASP A 32 -4.330 -5.087 -8.231 1.00 10.93 H new ATOM 0 HA ASP A 32 -5.620 -6.947 -9.865 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -3.303 -5.989 -10.161 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -2.759 -7.092 -8.913 1.00 18.01 H new ATOM 519 N LYS A 33 -4.759 -8.091 -6.834 1.00 14.22 N ATOM 520 CA LYS A 33 -5.029 -9.133 -5.861 1.00 14.00 C ATOM 521 C LYS A 33 -6.391 -9.248 -5.269 1.00 12.37 C ATOM 522 O LYS A 33 -6.972 -10.337 -5.321 1.00 12.17 O ATOM 523 CB LYS A 33 -4.006 -8.858 -4.665 1.00 18.62 C ATOM 524 CG LYS A 33 -2.531 -9.032 -5.085 1.00 24.00 C ATOM 525 CD LYS A 33 -2.264 -10.525 -5.402 1.00 27.61 C ATOM 526 CE LYS A 33 -0.832 -10.813 -5.988 1.00 27.64 C ATOM 527 NZ LYS A 33 -0.571 -12.242 -6.144 1.00 30.06 N ATOM 0 H LYS A 33 -4.245 -7.300 -6.445 1.00 14.22 H new ATOM 0 HA LYS A 33 -4.928 -10.070 -6.409 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -4.155 -7.845 -4.292 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -4.227 -9.537 -3.841 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -2.315 -8.418 -5.959 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -1.871 -8.694 -4.286 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -2.395 -11.108 -4.490 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -3.013 -10.873 -6.114 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -0.733 -10.321 -6.955 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -0.079 -10.379 -5.330 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 0.384 -12.380 -6.533 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -0.639 -12.710 -5.218 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -1.272 -12.654 -6.793 1.00 30.06 H new ATOM 541 N GLU A 34 -6.915 -8.117 -4.760 1.00 10.11 N ATOM 542 CA GLU A 34 -8.171 -8.162 -3.986 1.00 10.07 C ATOM 543 C GLU A 34 -9.249 -7.282 -4.596 1.00 9.32 C ATOM 544 O GLU A 34 -10.369 -7.239 -4.031 1.00 11.61 O ATOM 545 CB GLU A 34 -7.958 -7.790 -2.571 1.00 14.77 C ATOM 546 CG GLU A 34 -7.147 -8.771 -1.672 1.00 18.75 C ATOM 547 CD GLU A 34 -7.570 -10.233 -1.749 1.00 22.28 C ATOM 548 OE1 GLU A 34 -8.764 -10.594 -1.602 1.00 21.95 O ATOM 549 OE2 GLU A 34 -6.679 -11.099 -1.966 1.00 25.19 O ATOM 0 H GLU A 34 -6.505 -7.189 -4.865 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.514 -9.196 -4.023 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.453 -6.824 -2.552 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -8.936 -7.647 -2.112 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -6.094 -8.701 -1.945 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -7.230 -8.441 -0.637 1.00 18.75 H new ATOM 556 N GLY A 35 -9.083 -6.656 -5.801 1.00 7.22 N ATOM 557 CA GLY A 35 -10.103 -5.978 -6.596 1.00 6.29 C ATOM 558 C GLY A 35 -10.486 -4.614 -6.142 1.00 6.93 C ATOM 559 O GLY A 35 -11.366 -4.013 -6.762 1.00 7.41 O ATOM 0 H GLY A 35 -8.169 -6.621 -6.253 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -9.748 -5.910 -7.624 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -10.998 -6.600 -6.608 1.00 6.29 H new ATOM 563 N ILE A 36 -9.858 -4.133 -5.096 1.00 5.86 N ATOM 564 CA ILE A 36 -10.301 -2.940 -4.488 1.00 6.07 C ATOM 565 C ILE A 36 -9.878 -1.743 -5.276 1.00 6.36 C ATOM 566 O ILE A 36 -8.675 -1.589 -5.516 1.00 6.18 O ATOM 567 CB ILE A 36 -9.706 -2.709 -3.103 1.00 7.47 C ATOM 568 CG1 ILE A 36 -10.135 -3.919 -2.172 1.00 8.52 C ATOM 569 CG2 ILE A 36 -10.026 -1.389 -2.483 1.00 7.36 C ATOM 570 CD1 ILE A 36 -9.300 -3.917 -0.867 1.00 9.49 C ATOM 0 H ILE A 36 -9.041 -4.562 -4.662 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.383 -3.057 -4.433 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.623 -2.671 -3.220 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -11.196 -3.844 -1.933 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -9.993 -4.861 -2.701 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -9.556 -1.325 -1.501 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -9.649 -0.588 -3.119 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -11.106 -1.290 -2.376 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -9.606 -4.753 -0.238 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -8.242 -4.015 -1.112 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -9.464 -2.982 -0.332 1.00 9.49 H new ATOM 582 N PRO A 37 -10.674 -0.803 -5.702 1.00 8.65 N ATOM 583 CA PRO A 37 -10.268 0.396 -6.389 1.00 9.18 C ATOM 584 C PRO A 37 -9.389 1.366 -5.603 1.00 9.85 C ATOM 585 O PRO A 37 -9.757 1.719 -4.492 1.00 8.51 O ATOM 586 CB PRO A 37 -11.582 1.080 -6.777 1.00 11.42 C ATOM 587 CG PRO A 37 -12.528 0.713 -5.644 1.00 9.27 C ATOM 588 CD PRO A 37 -12.042 -0.696 -5.220 1.00 8.33 C ATOM 0 HA PRO A 37 -9.629 0.113 -7.225 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -11.461 2.160 -6.864 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -11.951 0.722 -7.738 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -12.466 1.425 -4.821 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -13.566 0.698 -5.975 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.086 -0.816 -4.138 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.671 -1.474 -5.653 1.00 8.33 H new ATOM 596 N PRO A 38 -8.269 1.975 -6.127 1.00 8.71 N ATOM 597 CA PRO A 38 -7.364 2.762 -5.352 1.00 9.08 C ATOM 598 C PRO A 38 -7.986 4.021 -4.623 1.00 9.28 C ATOM 599 O PRO A 38 -7.390 4.348 -3.603 1.00 6.50 O ATOM 600 CB PRO A 38 -6.350 3.241 -6.389 1.00 10.31 C ATOM 601 CG PRO A 38 -6.256 2.091 -7.378 1.00 10.81 C ATOM 602 CD PRO A 38 -7.686 1.564 -7.414 1.00 12.00 C ATOM 0 HA PRO A 38 -6.973 2.160 -4.532 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -6.681 4.158 -6.875 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -5.383 3.453 -5.932 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -5.923 2.427 -8.360 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -5.551 1.328 -7.047 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -8.242 1.984 -8.252 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -7.706 0.480 -7.529 1.00 12.00 H new ATOM 610 N ASP A 39 -9.127 4.651 -5.140 1.00 11.20 N ATOM 611 CA ASP A 39 -9.820 5.782 -4.396 1.00 14.96 C ATOM 612 C ASP A 39 -10.250 5.365 -2.981 1.00 13.99 C ATOM 613 O ASP A 39 -10.024 6.060 -1.967 1.00 13.75 O ATOM 614 CB ASP A 39 -11.084 6.198 -5.183 1.00 24.16 C ATOM 615 CG ASP A 39 -10.554 6.759 -6.523 1.00 31.06 C ATOM 616 OD1 ASP A 39 -9.432 7.371 -6.544 1.00 34.22 O ATOM 617 OD2 ASP A 39 -11.140 6.459 -7.560 1.00 35.55 O ATOM 0 H ASP A 39 -9.562 4.402 -6.028 1.00 11.20 H new ATOM 0 HA ASP A 39 -9.111 6.606 -4.311 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -11.746 5.347 -5.345 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -11.658 6.949 -4.640 1.00 24.16 H new ATOM 622 N GLN A 40 -10.673 4.125 -2.822 1.00 11.60 N ATOM 623 CA GLN A 40 -11.094 3.568 -1.515 1.00 10.76 C ATOM 624 C GLN A 40 -9.912 3.079 -0.658 1.00 8.01 C ATOM 625 O GLN A 40 -10.081 2.824 0.523 1.00 8.96 O ATOM 626 CB GLN A 40 -12.046 2.388 -1.697 1.00 11.14 C ATOM 627 CG GLN A 40 -13.036 2.088 -0.543 1.00 14.85 C ATOM 628 CD GLN A 40 -13.657 0.708 -0.651 1.00 16.11 C ATOM 629 OE1 GLN A 40 -13.684 0.087 -1.715 1.00 20.52 O ATOM 630 NE2 GLN A 40 -14.197 0.205 0.464 1.00 18.16 N ATOM 0 H GLN A 40 -10.741 3.458 -3.591 1.00 11.60 H new ATOM 0 HA GLN A 40 -11.588 4.393 -1.002 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -12.627 2.560 -2.603 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -11.446 1.494 -1.868 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -12.514 2.174 0.410 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -13.826 2.839 -0.543 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -14.162 0.738 1.333 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -14.644 -0.712 0.446 1.00 18.16 H new ATOM 639 N GLN A 41 -8.672 2.979 -1.237 1.00 6.52 N ATOM 640 CA GLN A 41 -7.484 2.492 -0.581 1.00 3.87 C ATOM 641 C GLN A 41 -6.638 3.600 0.097 1.00 4.79 C ATOM 642 O GLN A 41 -6.327 4.686 -0.373 1.00 6.34 O ATOM 643 CB GLN A 41 -6.574 1.764 -1.566 1.00 4.20 C ATOM 644 CG GLN A 41 -7.146 0.397 -2.050 1.00 3.20 C ATOM 645 CD GLN A 41 -6.078 -0.303 -2.900 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.974 -0.476 -2.449 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.326 -0.835 -4.111 1.00 7.13 N ATOM 0 H GLN A 41 -8.503 3.253 -2.205 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.855 1.820 0.193 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -6.403 2.404 -2.432 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.604 1.597 -1.097 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.418 -0.224 -1.196 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -8.054 0.551 -2.634 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.244 -0.719 -4.541 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.596 -1.354 -4.599 1.00 7.13 H new ATOM 656 N ARG A 42 -6.033 3.223 1.252 1.00 5.73 N ATOM 657 CA ARG A 42 -5.124 4.058 1.994 1.00 6.97 C ATOM 658 C ARG A 42 -4.107 3.025 2.575 1.00 7.15 C ATOM 659 O ARG A 42 -4.499 1.906 2.980 1.00 7.33 O ATOM 660 CB ARG A 42 -5.644 4.762 3.259 1.00 13.23 C ATOM 661 CG ARG A 42 -6.564 5.964 3.004 1.00 21.27 C ATOM 662 CD ARG A 42 -6.417 6.993 4.094 1.00 26.14 C ATOM 663 NE ARG A 42 -7.127 8.230 3.622 1.00 32.26 N ATOM 664 CZ ARG A 42 -7.680 9.147 4.395 1.00 34.32 C ATOM 665 NH1 ARG A 42 -8.031 8.954 5.654 1.00 35.30 N ATOM 666 NH2 ARG A 42 -7.675 10.431 3.950 1.00 36.39 N ATOM 0 H ARG A 42 -6.182 2.309 1.680 1.00 5.73 H new ATOM 0 HA ARG A 42 -4.804 4.845 1.311 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -6.183 4.034 3.866 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -4.789 5.097 3.847 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -6.324 6.413 2.040 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -7.600 5.630 2.951 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -6.849 6.632 5.027 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -5.365 7.202 4.289 1.00 26.14 H new ATOM 0 HE ARG A 42 -7.187 8.375 2.614 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -7.879 8.046 6.092 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -8.454 9.713 6.188 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -7.254 10.657 3.049 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -8.092 11.169 4.517 1.00 36.39 H new ATOM 680 N LEU A 43 -2.858 3.541 2.699 1.00 4.65 N ATOM 681 CA LEU A 43 -1.796 2.706 3.172 1.00 3.51 C ATOM 682 C LEU A 43 -1.082 3.389 4.340 1.00 5.56 C ATOM 683 O LEU A 43 -0.678 4.523 4.189 1.00 4.19 O ATOM 684 CB LEU A 43 -0.790 2.376 2.048 1.00 3.74 C ATOM 685 CG LEU A 43 -1.298 1.452 0.965 1.00 6.32 C ATOM 686 CD1 LEU A 43 -0.233 1.229 -0.140 1.00 9.55 C ATOM 687 CD2 LEU A 43 -1.798 0.136 1.561 1.00 6.41 C ATOM 0 H LEU A 43 -2.596 4.502 2.479 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.230 1.765 3.512 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -0.472 3.310 1.584 1.00 3.74 H new ATOM 0 HB3 LEU A 43 0.095 1.926 2.498 1.00 3.74 H new ATOM 0 HG LEU A 43 -2.149 1.933 0.483 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -0.633 0.560 -0.901 1.00 9.55 H new ATOM 0 HD12 LEU A 43 0.024 2.185 -0.596 1.00 9.55 H new ATOM 0 HD13 LEU A 43 0.660 0.785 0.300 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -2.158 -0.512 0.762 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -0.982 -0.358 2.088 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -2.611 0.338 2.259 1.00 6.41 H new ATOM 699 N ILE A 44 -0.941 2.693 5.472 1.00 4.58 N ATOM 700 CA ILE A 44 -0.222 3.137 6.631 1.00 5.55 C ATOM 701 C ILE A 44 1.066 2.411 6.802 1.00 5.46 C ATOM 702 O ILE A 44 1.014 1.198 6.746 1.00 6.04 O ATOM 703 CB ILE A 44 -1.037 3.269 7.857 1.00 6.80 C ATOM 704 CG1 ILE A 44 -1.925 4.612 7.795 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.151 3.284 9.065 1.00 7.39 C ATOM 706 CD1 ILE A 44 -3.119 4.564 6.869 1.00 13.90 C ATOM 0 H ILE A 44 -1.349 1.766 5.593 1.00 4.58 H new ATOM 0 HA ILE A 44 0.052 4.173 6.432 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.708 2.413 7.927 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -2.277 4.840 8.801 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -1.282 5.437 7.488 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -0.761 3.382 9.963 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.417 2.355 9.111 1.00 7.39 H new ATOM 0 HG23 ILE A 44 0.537 4.127 9.001 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -3.645 5.518 6.904 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -2.782 4.373 5.850 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -3.792 3.767 7.184 1.00 13.90 H new ATOM 718 N PHE A 45 2.228 3.054 7.002 1.00 6.75 N ATOM 719 CA PHE A 45 3.464 2.332 7.262 1.00 4.70 C ATOM 720 C PHE A 45 4.357 3.292 8.102 1.00 6.34 C ATOM 721 O PHE A 45 4.511 4.483 7.744 1.00 5.45 O ATOM 722 CB PHE A 45 4.159 1.974 5.957 1.00 5.51 C ATOM 723 CG PHE A 45 5.605 1.551 6.003 1.00 5.98 C ATOM 724 CD1 PHE A 45 5.940 0.214 6.355 1.00 6.86 C ATOM 725 CD2 PHE A 45 6.693 2.368 5.515 1.00 5.87 C ATOM 726 CE1 PHE A 45 7.264 -0.136 6.513 1.00 6.68 C ATOM 727 CE2 PHE A 45 8.006 1.922 5.607 1.00 6.64 C ATOM 728 CZ PHE A 45 8.357 0.712 6.118 1.00 6.84 C ATOM 0 H PHE A 45 2.328 4.069 6.987 1.00 6.75 H new ATOM 0 HA PHE A 45 3.272 1.398 7.791 1.00 4.70 H new ATOM 0 HB2 PHE A 45 3.593 1.168 5.491 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.087 2.838 5.296 1.00 5.51 H new ATOM 0 HD1 PHE A 45 5.162 -0.522 6.497 1.00 6.86 H new ATOM 0 HD2 PHE A 45 6.484 3.332 5.076 1.00 5.87 H new ATOM 0 HE1 PHE A 45 7.492 -1.094 6.955 1.00 6.68 H new ATOM 0 HE2 PHE A 45 8.792 2.573 5.253 1.00 6.64 H new ATOM 0 HZ PHE A 45 9.388 0.408 6.221 1.00 6.84 H new ATOM 738 N ALA A 46 4.879 2.792 9.214 1.00 6.53 N ATOM 739 CA ALA A 46 5.684 3.548 10.152 1.00 7.15 C ATOM 740 C ALA A 46 5.108 4.811 10.775 1.00 9.00 C ATOM 741 O ALA A 46 5.756 5.833 11.023 1.00 11.15 O ATOM 742 CB ALA A 46 7.114 3.820 9.547 1.00 8.99 C ATOM 0 H ALA A 46 4.747 1.820 9.493 1.00 6.53 H new ATOM 0 HA ALA A 46 5.721 2.882 11.014 1.00 7.15 H new ATOM 0 HB1 ALA A 46 7.709 4.389 10.261 1.00 8.99 H new ATOM 0 HB2 ALA A 46 7.607 2.871 9.338 1.00 8.99 H new ATOM 0 HB3 ALA A 46 7.016 4.389 8.622 1.00 8.99 H new ATOM 748 N GLY A 47 3.791 4.814 11.000 1.00 9.35 N ATOM 749 CA GLY A 47 3.090 5.988 11.557 1.00 11.68 C ATOM 750 C GLY A 47 2.640 6.989 10.556 1.00 11.14 C ATOM 751 O GLY A 47 2.186 8.109 10.931 1.00 13.93 O ATOM 0 H GLY A 47 3.183 4.018 10.807 1.00 9.35 H new ATOM 0 HA2 GLY A 47 2.221 5.641 12.116 1.00 11.68 H new ATOM 0 HA3 GLY A 47 3.751 6.482 12.269 1.00 11.68 H new ATOM 755 N LYS A 48 2.862 6.708 9.246 1.00 10.47 N ATOM 756 CA LYS A 48 2.663 7.636 8.157 1.00 8.82 C ATOM 757 C LYS A 48 1.617 7.028 7.231 1.00 7.68 C ATOM 758 O LYS A 48 1.465 5.857 7.149 1.00 6.47 O ATOM 759 CB LYS A 48 3.946 7.914 7.455 1.00 9.74 C ATOM 760 CG LYS A 48 4.958 8.644 8.346 1.00 14.14 C ATOM 761 CD LYS A 48 6.306 8.925 7.717 1.00 16.32 C ATOM 762 CE LYS A 48 7.046 7.591 7.432 1.00 20.04 C ATOM 763 NZ LYS A 48 8.362 7.802 6.836 1.00 23.92 N ATOM 0 H LYS A 48 3.194 5.796 8.933 1.00 10.47 H new ATOM 0 HA LYS A 48 2.310 8.600 8.524 1.00 8.82 H new ATOM 0 HB2 LYS A 48 4.380 6.974 7.113 1.00 9.74 H new ATOM 0 HB3 LYS A 48 3.748 8.516 6.568 1.00 9.74 H new ATOM 0 HG2 LYS A 48 4.520 9.591 8.660 1.00 14.14 H new ATOM 0 HG3 LYS A 48 5.115 8.051 9.247 1.00 14.14 H new ATOM 0 HD2 LYS A 48 6.175 9.483 6.790 1.00 16.32 H new ATOM 0 HD3 LYS A 48 6.904 9.548 8.382 1.00 16.32 H new ATOM 0 HE2 LYS A 48 7.156 7.034 8.362 1.00 20.04 H new ATOM 0 HE3 LYS A 48 6.441 6.979 6.763 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 8.817 6.883 6.664 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 8.257 8.310 5.935 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 8.951 8.364 7.484 1.00 23.92 H new ATOM 777 N GLN A 49 0.786 7.910 6.586 1.00 8.89 N ATOM 778 CA GLN A 49 -0.219 7.694 5.585 1.00 7.18 C ATOM 779 C GLN A 49 0.400 8.029 4.257 1.00 8.23 C ATOM 780 O GLN A 49 0.668 9.165 3.952 1.00 9.70 O ATOM 781 CB GLN A 49 -1.502 8.566 5.726 1.00 11.67 C ATOM 782 CG GLN A 49 -2.744 8.343 4.850 1.00 15.82 C ATOM 783 CD GLN A 49 -3.809 9.369 5.273 1.00 20.21 C ATOM 784 OE1 GLN A 49 -4.511 9.095 6.228 1.00 23.23 O ATOM 785 NE2 GLN A 49 -3.800 10.584 4.662 1.00 20.67 N ATOM 0 H GLN A 49 0.844 8.903 6.813 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.540 6.658 5.691 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -1.829 8.477 6.762 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -1.195 9.601 5.577 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -2.495 8.464 3.796 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -3.121 7.328 4.974 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -3.186 10.749 3.864 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -4.407 11.330 5.002 1.00 20.67 H new ATOM 794 N LEU A 50 0.674 6.952 3.507 1.00 6.51 N ATOM 795 CA LEU A 50 1.567 7.100 2.336 1.00 7.41 C ATOM 796 C LEU A 50 0.965 7.829 1.152 1.00 8.27 C ATOM 797 O LEU A 50 -0.150 7.514 0.738 1.00 8.34 O ATOM 798 CB LEU A 50 2.109 5.880 1.827 1.00 7.13 C ATOM 799 CG LEU A 50 2.760 4.945 2.838 1.00 7.53 C ATOM 800 CD1 LEU A 50 3.386 3.668 2.291 1.00 8.14 C ATOM 801 CD2 LEU A 50 3.695 5.711 3.769 1.00 9.11 C ATOM 0 H LEU A 50 0.314 6.012 3.672 1.00 6.51 H new ATOM 0 HA LEU A 50 2.360 7.703 2.778 1.00 7.41 H new ATOM 0 HB2 LEU A 50 1.309 5.335 1.326 1.00 7.13 H new ATOM 0 HB3 LEU A 50 2.850 6.128 1.067 1.00 7.13 H new ATOM 0 HG LEU A 50 1.923 4.555 3.417 1.00 7.53 H new ATOM 0 HD11 LEU A 50 3.814 3.092 3.112 1.00 8.14 H new ATOM 0 HD12 LEU A 50 2.622 3.074 1.790 1.00 8.14 H new ATOM 0 HD13 LEU A 50 4.171 3.924 1.579 1.00 8.14 H new ATOM 0 HD21 LEU A 50 4.146 5.020 4.481 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.478 6.192 3.183 1.00 9.11 H new ATOM 0 HD23 LEU A 50 3.129 6.470 4.309 1.00 9.11 H new ATOM 813 N GLU A 51 1.736 8.764 0.568 1.00 9.43 N ATOM 814 CA GLU A 51 1.359 9.510 -0.634 1.00 11.90 C ATOM 815 C GLU A 51 1.672 8.794 -1.989 1.00 11.49 C ATOM 816 O GLU A 51 2.846 8.430 -2.230 1.00 9.88 O ATOM 817 CB GLU A 51 1.883 10.991 -0.711 1.00 16.56 C ATOM 818 CG GLU A 51 1.309 11.922 0.348 1.00 26.06 C ATOM 819 CD GLU A 51 1.796 13.316 0.174 1.00 29.86 C ATOM 820 OE1 GLU A 51 2.924 13.659 0.541 1.00 33.44 O ATOM 821 OE2 GLU A 51 1.012 14.137 -0.457 1.00 32.13 O ATOM 0 H GLU A 51 2.654 9.023 0.929 1.00 9.43 H new ATOM 0 HA GLU A 51 0.277 9.545 -0.505 1.00 11.90 H new ATOM 0 HB2 GLU A 51 2.969 10.983 -0.619 1.00 16.56 H new ATOM 0 HB3 GLU A 51 1.649 11.395 -1.696 1.00 16.56 H new ATOM 0 HG2 GLU A 51 0.220 11.907 0.295 1.00 26.06 H new ATOM 0 HG3 GLU A 51 1.585 11.561 1.339 1.00 26.06 H new ATOM 828 N ASP A 52 0.636 8.761 -2.844 1.00 12.71 N ATOM 829 CA ASP A 52 0.491 7.988 -4.036 1.00 16.56 C ATOM 830 C ASP A 52 1.645 8.204 -4.999 1.00 15.83 C ATOM 831 O ASP A 52 2.131 7.243 -5.627 1.00 17.21 O ATOM 832 CB ASP A 52 -0.784 8.492 -4.727 1.00 21.05 C ATOM 833 CG ASP A 52 -1.883 8.289 -3.710 1.00 25.12 C ATOM 834 OD1 ASP A 52 -2.173 7.184 -3.277 1.00 25.82 O ATOM 835 OD2 ASP A 52 -2.466 9.339 -3.334 1.00 28.37 O ATOM 0 H ASP A 52 -0.187 9.340 -2.679 1.00 12.71 H new ATOM 0 HA ASP A 52 0.459 6.930 -3.775 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -0.693 9.542 -5.007 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -0.984 7.934 -5.642 1.00 21.05 H new ATOM 840 N GLY A 53 2.124 9.420 -5.054 1.00 15.00 N ATOM 841 CA GLY A 53 3.039 10.024 -6.010 1.00 11.77 C ATOM 842 C GLY A 53 4.502 10.020 -5.650 1.00 11.10 C ATOM 843 O GLY A 53 5.303 10.730 -6.226 1.00 11.25 O ATOM 0 H GLY A 53 1.852 10.100 -4.344 1.00 15.00 H new ATOM 0 HA2 GLY A 53 2.923 9.508 -6.963 1.00 11.77 H new ATOM 0 HA3 GLY A 53 2.731 11.058 -6.167 1.00 11.77 H new ATOM 847 N ARG A 54 4.865 9.238 -4.633 1.00 8.53 N ATOM 848 CA ARG A 54 6.208 9.006 -4.163 1.00 9.05 C ATOM 849 C ARG A 54 6.479 7.486 -4.300 1.00 8.96 C ATOM 850 O ARG A 54 5.615 6.647 -4.595 1.00 11.60 O ATOM 851 CB ARG A 54 6.557 9.496 -2.727 1.00 7.97 C ATOM 852 CG ARG A 54 5.767 10.804 -2.516 1.00 9.62 C ATOM 853 CD ARG A 54 6.138 11.477 -1.152 1.00 12.20 C ATOM 854 NE ARG A 54 5.333 12.734 -0.968 1.00 18.23 N ATOM 855 CZ ARG A 54 5.839 13.959 -0.816 1.00 22.08 C ATOM 856 NH1 ARG A 54 6.947 14.404 -1.405 1.00 25.50 N ATOM 857 NH2 ARG A 54 5.132 14.753 0.028 1.00 23.38 N ATOM 0 H ARG A 54 4.175 8.722 -4.088 1.00 8.53 H new ATOM 0 HA ARG A 54 6.858 9.623 -4.783 1.00 9.05 H new ATOM 0 HB2 ARG A 54 6.280 8.749 -1.983 1.00 7.97 H new ATOM 0 HB3 ARG A 54 7.628 9.667 -2.624 1.00 7.97 H new ATOM 0 HG2 ARG A 54 5.976 11.494 -3.333 1.00 9.62 H new ATOM 0 HG3 ARG A 54 4.698 10.594 -2.542 1.00 9.62 H new ATOM 0 HD2 ARG A 54 5.944 10.787 -0.331 1.00 12.20 H new ATOM 0 HD3 ARG A 54 7.203 11.709 -1.128 1.00 12.20 H new ATOM 0 HE ARG A 54 4.317 12.642 -0.959 1.00 18.23 H new ATOM 0 HH11 ARG A 54 7.476 13.791 -2.026 1.00 25.50 H new ATOM 0 HH12 ARG A 54 7.267 15.357 -1.235 1.00 25.50 H new ATOM 0 HH21 ARG A 54 4.292 14.394 0.482 1.00 23.38 H new ATOM 0 HH22 ARG A 54 5.441 15.708 0.208 1.00 23.38 H new ATOM 871 N THR A 55 7.757 7.112 -4.307 1.00 9.05 N ATOM 872 CA THR A 55 8.163 5.771 -4.550 1.00 9.03 C ATOM 873 C THR A 55 8.398 4.975 -3.327 1.00 8.15 C ATOM 874 O THR A 55 8.453 5.502 -2.211 1.00 5.91 O ATOM 875 CB THR A 55 9.482 5.715 -5.321 1.00 11.15 C ATOM 876 OG1 THR A 55 10.510 6.424 -4.614 1.00 11.95 O ATOM 877 CG2 THR A 55 9.325 6.359 -6.680 1.00 11.71 C ATOM 0 H THR A 55 8.531 7.755 -4.140 1.00 9.05 H new ATOM 0 HA THR A 55 7.327 5.353 -5.111 1.00 9.03 H new ATOM 0 HB THR A 55 9.756 4.666 -5.429 1.00 11.15 H new ATOM 0 HG1 THR A 55 11.321 5.876 -4.580 1.00 11.95 H new ATOM 0 HG21 THR A 55 10.272 6.311 -7.217 1.00 11.71 H new ATOM 0 HG22 THR A 55 8.559 5.830 -7.247 1.00 11.71 H new ATOM 0 HG23 THR A 55 9.030 7.401 -6.557 1.00 11.71 H new ATOM 885 N LEU A 56 8.458 3.651 -3.444 1.00 6.91 N ATOM 886 CA LEU A 56 8.890 2.741 -2.396 1.00 8.29 C ATOM 887 C LEU A 56 10.212 3.043 -1.765 1.00 8.05 C ATOM 888 O LEU A 56 10.407 3.027 -0.538 1.00 10.17 O ATOM 889 CB LEU A 56 8.913 1.253 -2.885 1.00 6.60 C ATOM 890 CG LEU A 56 7.481 0.607 -2.689 1.00 7.73 C ATOM 891 CD1 LEU A 56 6.450 1.094 -3.665 1.00 9.85 C ATOM 892 CD2 LEU A 56 7.636 -0.887 -2.857 1.00 8.64 C ATOM 0 H LEU A 56 8.197 3.169 -4.304 1.00 6.91 H new ATOM 0 HA LEU A 56 8.133 2.895 -1.627 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.202 1.209 -3.935 1.00 6.60 H new ATOM 0 HB3 LEU A 56 9.658 0.687 -2.325 1.00 6.60 H new ATOM 0 HG LEU A 56 7.123 0.893 -1.700 1.00 7.73 H new ATOM 0 HD11 LEU A 56 5.498 0.604 -3.463 1.00 9.85 H new ATOM 0 HD12 LEU A 56 6.332 2.173 -3.561 1.00 9.85 H new ATOM 0 HD13 LEU A 56 6.771 0.860 -4.680 1.00 9.85 H new ATOM 0 HD21 LEU A 56 6.667 -1.370 -2.729 1.00 8.64 H new ATOM 0 HD22 LEU A 56 8.020 -1.103 -3.854 1.00 8.64 H new ATOM 0 HD23 LEU A 56 8.333 -1.267 -2.110 1.00 8.64 H new ATOM 904 N SER A 57 11.237 3.385 -2.607 1.00 8.92 N ATOM 905 CA SER A 57 12.534 3.969 -2.222 1.00 9.00 C ATOM 906 C SER A 57 12.499 5.281 -1.397 1.00 9.44 C ATOM 907 O SER A 57 13.325 5.461 -0.544 1.00 10.91 O ATOM 908 CB SER A 57 13.550 4.194 -3.397 1.00 10.32 C ATOM 909 OG SER A 57 13.005 5.246 -4.274 1.00 13.59 O ATOM 0 H SER A 57 11.163 3.249 -3.615 1.00 8.92 H new ATOM 0 HA SER A 57 12.881 3.164 -1.574 1.00 9.00 H new ATOM 0 HB2 SER A 57 14.524 4.489 -3.007 1.00 10.32 H new ATOM 0 HB3 SER A 57 13.697 3.270 -3.956 1.00 10.32 H new ATOM 0 HG SER A 57 13.624 5.406 -5.017 1.00 13.59 H new ATOM 915 N ASP A 58 11.574 6.227 -1.610 1.00 9.11 N ATOM 916 CA ASP A 58 11.470 7.468 -0.773 1.00 7.91 C ATOM 917 C ASP A 58 11.119 7.179 0.652 1.00 9.12 C ATOM 918 O ASP A 58 11.603 7.801 1.630 1.00 8.61 O ATOM 919 CB ASP A 58 10.330 8.358 -1.419 1.00 8.41 C ATOM 920 CG ASP A 58 10.260 9.687 -0.825 1.00 11.50 C ATOM 921 OD1 ASP A 58 11.097 10.539 -1.215 1.00 10.05 O ATOM 922 OD2 ASP A 58 9.290 9.960 -0.054 1.00 11.70 O ATOM 0 H ASP A 58 10.877 6.172 -2.353 1.00 9.11 H new ATOM 0 HA ASP A 58 12.438 7.969 -0.759 1.00 7.91 H new ATOM 0 HB2 ASP A 58 10.508 8.451 -2.490 1.00 8.41 H new ATOM 0 HB3 ASP A 58 9.369 7.858 -1.298 1.00 8.41 H new ATOM 927 N TYR A 59 10.178 6.249 0.807 1.00 7.97 N ATOM 928 CA TYR A 59 9.646 5.819 2.110 1.00 8.45 C ATOM 929 C TYR A 59 10.497 4.732 2.730 1.00 10.98 C ATOM 930 O TYR A 59 10.181 4.312 3.842 1.00 12.95 O ATOM 931 CB TYR A 59 8.179 5.254 1.954 1.00 7.94 C ATOM 932 CG TYR A 59 7.281 6.466 1.858 1.00 6.91 C ATOM 933 CD1 TYR A 59 6.932 7.219 3.011 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.604 6.722 0.674 1.00 6.98 C ATOM 935 CE1 TYR A 59 6.043 8.339 2.936 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.614 7.718 0.607 1.00 6.52 C ATOM 937 CZ TYR A 59 5.323 8.542 1.741 1.00 6.76 C ATOM 938 OH TYR A 59 4.268 9.464 1.717 1.00 7.63 O ATOM 0 H TYR A 59 9.753 5.761 0.019 1.00 7.97 H new ATOM 0 HA TYR A 59 9.651 6.698 2.754 1.00 8.45 H new ATOM 0 HB2 TYR A 59 8.092 4.631 1.064 1.00 7.94 H new ATOM 0 HB3 TYR A 59 7.907 4.632 2.806 1.00 7.94 H new ATOM 0 HD1 TYR A 59 7.348 6.940 3.968 1.00 4.59 H new ATOM 0 HD2 TYR A 59 6.841 6.148 -0.209 1.00 6.98 H new ATOM 0 HE1 TYR A 59 5.927 9.011 3.773 1.00 5.39 H new ATOM 0 HE2 TYR A 59 5.066 7.863 -0.312 1.00 6.52 H new ATOM 0 HH TYR A 59 4.577 10.305 1.319 1.00 7.63 H new ATOM 948 N ASN A 60 11.522 4.165 1.994 1.00 12.38 N ATOM 949 CA ASN A 60 12.476 3.199 2.529 1.00 13.94 C ATOM 950 C ASN A 60 11.848 1.927 2.917 1.00 14.16 C ATOM 951 O ASN A 60 12.063 1.329 3.999 1.00 14.26 O ATOM 952 CB ASN A 60 13.417 3.761 3.701 1.00 19.23 C ATOM 953 CG ASN A 60 13.923 5.191 3.328 1.00 22.65 C ATOM 954 OD1 ASN A 60 13.266 6.135 3.772 1.00 25.45 O ATOM 955 ND2 ASN A 60 14.970 5.317 2.560 1.00 24.09 N ATOM 0 H ASN A 60 11.683 4.387 1.012 1.00 12.38 H new ATOM 0 HA ASN A 60 13.139 3.001 1.687 1.00 13.94 H new ATOM 0 HB2 ASN A 60 12.865 3.793 4.640 1.00 19.23 H new ATOM 0 HB3 ASN A 60 14.265 3.093 3.852 1.00 19.23 H new ATOM 0 HD21 ASN A 60 15.295 6.245 2.289 1.00 24.09 H new ATOM 0 HD22 ASN A 60 15.464 4.487 2.231 1.00 24.09 H new ATOM 962 N ILE A 61 10.967 1.480 2.018 1.00 11.08 N ATOM 963 CA ILE A 61 10.376 0.170 2.127 1.00 11.78 C ATOM 964 C ILE A 61 11.411 -0.910 1.752 1.00 13.74 C ATOM 965 O ILE A 61 12.282 -0.648 0.919 1.00 14.60 O ATOM 966 CB ILE A 61 9.073 0.117 1.265 1.00 11.80 C ATOM 967 CG1 ILE A 61 8.116 1.191 1.893 1.00 11.56 C ATOM 968 CG2 ILE A 61 8.420 -1.310 1.356 1.00 13.29 C ATOM 969 CD1 ILE A 61 6.809 1.322 1.119 1.00 11.42 C ATOM 0 H ILE A 61 10.655 2.018 1.209 1.00 11.08 H new ATOM 0 HA ILE A 61 10.083 -0.037 3.156 1.00 11.78 H new ATOM 0 HB ILE A 61 9.273 0.315 0.212 1.00 11.80 H new ATOM 0 HG12 ILE A 61 7.899 0.921 2.926 1.00 11.56 H new ATOM 0 HG13 ILE A 61 8.621 2.157 1.915 1.00 11.56 H new ATOM 0 HG21 ILE A 61 7.513 -1.334 0.752 1.00 13.29 H new ATOM 0 HG22 ILE A 61 9.123 -2.056 0.986 1.00 13.29 H new ATOM 0 HG23 ILE A 61 8.170 -1.530 2.394 1.00 13.29 H new ATOM 0 HD11 ILE A 61 6.180 2.077 1.592 1.00 11.42 H new ATOM 0 HD12 ILE A 61 7.022 1.619 0.092 1.00 11.42 H new ATOM 0 HD13 ILE A 61 6.288 0.364 1.119 1.00 11.42 H new ATOM 981 N GLN A 62 11.401 -2.097 2.381 1.00 13.97 N ATOM 982 CA GLN A 62 12.470 -3.081 2.339 1.00 15.52 C ATOM 983 C GLN A 62 11.867 -4.435 2.096 1.00 13.94 C ATOM 984 O GLN A 62 10.677 -4.639 1.963 1.00 12.15 O ATOM 985 CB GLN A 62 13.230 -3.139 3.716 1.00 19.53 C ATOM 986 CG GLN A 62 13.657 -1.758 4.229 1.00 26.38 C ATOM 987 CD GLN A 62 14.713 -1.864 5.311 1.00 30.61 C ATOM 988 OE1 GLN A 62 15.852 -2.250 5.004 1.00 33.23 O ATOM 989 NE2 GLN A 62 14.400 -1.556 6.589 1.00 32.71 N ATOM 0 H GLN A 62 10.612 -2.399 2.952 1.00 13.97 H new ATOM 0 HA GLN A 62 13.167 -2.803 1.548 1.00 15.52 H new ATOM 0 HB2 GLN A 62 12.588 -3.613 4.458 1.00 19.53 H new ATOM 0 HB3 GLN A 62 14.113 -3.769 3.610 1.00 19.53 H new ATOM 0 HG2 GLN A 62 14.044 -1.165 3.400 1.00 26.38 H new ATOM 0 HG3 GLN A 62 12.787 -1.230 4.620 1.00 26.38 H new ATOM 0 HE21 GLN A 62 13.458 -1.240 6.822 1.00 32.71 H new ATOM 0 HE22 GLN A 62 15.105 -1.639 7.321 1.00 32.71 H new ATOM 998 N LYS A 63 12.723 -5.427 1.914 1.00 11.73 N ATOM 999 CA LYS A 63 12.390 -6.815 1.893 1.00 11.97 C ATOM 1000 C LYS A 63 11.717 -7.240 3.223 1.00 10.41 C ATOM 1001 O LYS A 63 12.176 -7.049 4.346 1.00 9.59 O ATOM 1002 CB LYS A 63 13.647 -7.760 1.765 1.00 13.73 C ATOM 1003 CG LYS A 63 13.354 -9.257 1.921 1.00 16.98 C ATOM 1004 CD LYS A 63 14.657 -10.028 1.508 1.00 20.19 C ATOM 1005 CE LYS A 63 14.404 -11.488 1.254 1.00 23.42 C ATOM 1006 NZ LYS A 63 14.083 -12.162 2.535 1.00 25.97 N ATOM 0 H LYS A 63 13.719 -5.261 1.771 1.00 11.73 H new ATOM 0 HA LYS A 63 11.738 -6.924 1.026 1.00 11.97 H new ATOM 0 HB2 LYS A 63 14.108 -7.595 0.791 1.00 13.73 H new ATOM 0 HB3 LYS A 63 14.379 -7.469 2.518 1.00 13.73 H new ATOM 0 HG2 LYS A 63 13.078 -9.490 2.949 1.00 16.98 H new ATOM 0 HG3 LYS A 63 12.515 -9.553 1.291 1.00 16.98 H new ATOM 0 HD2 LYS A 63 15.076 -9.573 0.610 1.00 20.19 H new ATOM 0 HD3 LYS A 63 15.403 -9.923 2.296 1.00 20.19 H new ATOM 0 HE2 LYS A 63 13.580 -11.609 0.550 1.00 23.42 H new ATOM 0 HE3 LYS A 63 15.282 -11.947 0.799 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 13.908 -13.172 2.361 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 14.882 -12.057 3.192 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 13.234 -11.730 2.951 1.00 25.97 H new ATOM 1020 N GLU A 64 10.583 -7.905 3.037 1.00 10.04 N ATOM 1021 CA GLU A 64 9.663 -8.374 4.031 1.00 10.94 C ATOM 1022 C GLU A 64 9.050 -7.383 4.952 1.00 9.74 C ATOM 1023 O GLU A 64 8.647 -7.706 6.097 1.00 9.42 O ATOM 1024 CB GLU A 64 10.277 -9.613 4.715 1.00 18.31 C ATOM 1025 CG GLU A 64 10.226 -10.787 3.678 1.00 24.16 C ATOM 1026 CD GLU A 64 10.862 -12.006 4.270 1.00 29.00 C ATOM 1027 OE1 GLU A 64 12.122 -11.994 4.404 1.00 31.72 O ATOM 1028 OE2 GLU A 64 10.156 -12.991 4.525 1.00 32.61 O ATOM 0 H GLU A 64 10.268 -8.144 2.097 1.00 10.04 H new ATOM 0 HA GLU A 64 8.755 -8.651 3.495 1.00 10.94 H new ATOM 0 HB2 GLU A 64 11.304 -9.414 5.021 1.00 18.31 H new ATOM 0 HB3 GLU A 64 9.720 -9.871 5.616 1.00 18.31 H new ATOM 0 HG2 GLU A 64 9.193 -11.000 3.405 1.00 24.16 H new ATOM 0 HG3 GLU A 64 10.745 -10.501 2.763 1.00 24.16 H new ATOM 1035 N SER A 65 8.886 -6.074 4.450 1.00 6.85 N ATOM 1036 CA SER A 65 8.187 -5.094 5.233 1.00 6.90 C ATOM 1037 C SER A 65 6.675 -5.289 5.336 1.00 4.72 C ATOM 1038 O SER A 65 5.990 -5.823 4.442 1.00 3.91 O ATOM 1039 CB SER A 65 8.307 -3.694 4.577 1.00 7.28 C ATOM 1040 OG SER A 65 9.652 -3.162 4.710 1.00 10.56 O ATOM 0 H SER A 65 9.231 -5.747 3.548 1.00 6.85 H new ATOM 0 HA SER A 65 8.650 -5.195 6.214 1.00 6.90 H new ATOM 0 HB2 SER A 65 8.043 -3.761 3.522 1.00 7.28 H new ATOM 0 HB3 SER A 65 7.596 -3.011 5.041 1.00 7.28 H new ATOM 0 HG SER A 65 9.624 -2.184 4.651 1.00 10.56 H new ATOM 1046 N THR A 66 6.111 -4.783 6.464 1.00 4.48 N ATOM 1047 CA THR A 66 4.675 -4.822 6.725 1.00 3.80 C ATOM 1048 C THR A 66 4.055 -3.474 6.383 1.00 4.60 C ATOM 1049 O THR A 66 4.363 -2.523 7.163 1.00 5.33 O ATOM 1050 CB THR A 66 4.290 -5.238 8.155 1.00 2.85 C ATOM 1051 OG1 THR A 66 4.698 -6.556 8.477 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.751 -5.157 8.290 1.00 3.40 C ATOM 0 H THR A 66 6.651 -4.340 7.208 1.00 4.48 H new ATOM 0 HA THR A 66 4.276 -5.606 6.082 1.00 3.80 H new ATOM 0 HB THR A 66 4.799 -4.561 8.841 1.00 2.85 H new ATOM 0 HG1 THR A 66 4.430 -6.766 9.396 1.00 2.15 H new ATOM 0 HG21 THR A 66 2.458 -5.449 9.299 1.00 3.40 H new ATOM 0 HG22 THR A 66 2.422 -4.136 8.098 1.00 3.40 H new ATOM 0 HG23 THR A 66 2.287 -5.829 7.569 1.00 3.40 H new ATOM 1060 N LEU A 67 3.297 -3.337 5.276 1.00 4.17 N ATOM 1061 CA LEU A 67 2.401 -2.260 5.069 1.00 3.85 C ATOM 1062 C LEU A 67 1.011 -2.557 5.710 1.00 3.80 C ATOM 1063 O LEU A 67 0.629 -3.728 5.937 1.00 5.54 O ATOM 1064 CB LEU A 67 2.087 -2.111 3.546 1.00 7.18 C ATOM 1065 CG LEU A 67 3.283 -1.989 2.613 1.00 9.67 C ATOM 1066 CD1 LEU A 67 2.831 -1.521 1.242 1.00 8.12 C ATOM 1067 CD2 LEU A 67 4.274 -0.972 3.096 1.00 11.66 C ATOM 0 H LEU A 67 3.316 -4.004 4.505 1.00 4.17 H new ATOM 0 HA LEU A 67 2.875 -1.378 5.500 1.00 3.85 H new ATOM 0 HB2 LEU A 67 1.498 -2.973 3.234 1.00 7.18 H new ATOM 0 HB3 LEU A 67 1.459 -1.230 3.412 1.00 7.18 H new ATOM 0 HG LEU A 67 3.744 -2.976 2.578 1.00 9.67 H new ATOM 0 HD11 LEU A 67 3.695 -1.437 0.583 1.00 8.12 H new ATOM 0 HD12 LEU A 67 2.126 -2.241 0.826 1.00 8.12 H new ATOM 0 HD13 LEU A 67 2.347 -0.548 1.331 1.00 8.12 H new ATOM 0 HD21 LEU A 67 5.110 -0.919 2.399 1.00 11.66 H new ATOM 0 HD22 LEU A 67 3.792 0.004 3.159 1.00 11.66 H new ATOM 0 HD23 LEU A 67 4.640 -1.260 4.081 1.00 11.66 H new ATOM 1079 N HIS A 68 0.235 -1.523 6.033 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.079 -1.715 6.606 1.00 4.17 C ATOM 1081 C HIS A 68 -2.089 -1.021 5.642 1.00 5.32 C ATOM 1082 O HIS A 68 -2.084 0.232 5.649 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.204 -1.010 7.942 1.00 5.57 C ATOM 1084 CG HIS A 68 -0.184 -1.504 8.940 1.00 9.95 C ATOM 1085 ND1 HIS A 68 1.020 -0.928 9.031 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -0.099 -2.646 9.685 1.00 12.79 C ATOM 1087 CE1 HIS A 68 1.750 -1.610 9.897 1.00 14.75 C ATOM 1088 NE2 HIS A 68 1.135 -2.706 10.347 1.00 16.30 N ATOM 0 H HIS A 68 0.502 -0.547 5.904 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.261 -2.781 6.742 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -1.080 0.063 7.798 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.206 -1.165 8.341 1.00 5.57 H new ATOM 0 HD1 HIS A 68 1.324 -0.101 8.518 1.00 13.74 H new ATOM 0 HD2 HIS A 68 -0.873 -3.396 9.754 1.00 12.79 H new ATOM 0 HE1 HIS A 68 2.740 -1.312 10.208 1.00 14.75 H new ATOM 1096 N LEU A 69 -3.005 -1.777 5.016 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.083 -1.352 4.174 1.00 3.97 C ATOM 1098 C LEU A 69 -5.394 -0.996 4.896 1.00 5.07 C ATOM 1099 O LEU A 69 -6.037 -1.829 5.520 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.534 -2.483 3.121 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.696 -2.242 2.143 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -5.163 -1.378 1.041 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -6.326 -3.586 1.640 1.00 9.96 C ATOM 0 H LEU A 69 -2.989 -2.793 5.110 1.00 5.29 H new ATOM 0 HA LEU A 69 -3.646 -0.468 3.710 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.658 -2.726 2.520 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -4.783 -3.374 3.698 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.524 -1.731 2.634 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -5.955 -1.179 0.319 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -4.807 -0.436 1.457 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -4.339 -1.890 0.544 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -7.143 -3.370 0.952 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -5.566 -4.175 1.127 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -6.708 -4.150 2.491 1.00 9.96 H new ATOM 1115 N VAL A 70 -5.782 0.261 4.774 1.00 4.29 N ATOM 1116 CA VAL A 70 -6.973 0.784 5.439 1.00 6.26 C ATOM 1117 C VAL A 70 -7.942 1.221 4.364 1.00 9.22 C ATOM 1118 O VAL A 70 -7.672 2.091 3.607 1.00 9.36 O ATOM 1119 CB VAL A 70 -6.637 1.876 6.455 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -7.864 2.452 7.132 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -5.652 1.322 7.477 1.00 8.54 C ATOM 0 H VAL A 70 -5.284 0.952 4.212 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.446 0.009 6.042 1.00 6.26 H new ATOM 0 HB VAL A 70 -6.181 2.706 5.916 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -7.560 3.222 7.842 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -8.522 2.890 6.381 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -8.393 1.660 7.661 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -5.408 2.096 8.204 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -6.100 0.471 7.989 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -4.742 1.002 6.969 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.197 0.681 4.378 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.249 1.129 3.424 1.00 16.06 C ATOM 1133 C LEU A 71 -10.999 2.413 3.908 1.00 18.09 C ATOM 1134 O LEU A 71 -11.569 2.432 4.983 1.00 19.26 O ATOM 1135 CB LEU A 71 -11.200 0.049 2.941 1.00 17.10 C ATOM 1136 CG LEU A 71 -10.463 -1.158 2.343 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -11.514 -2.190 1.882 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -9.443 -0.768 1.202 1.00 19.57 C ATOM 0 H LEU A 71 -9.497 -0.048 5.025 1.00 12.71 H new ATOM 0 HA LEU A 71 -9.685 1.399 2.532 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -11.820 -0.284 3.774 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -11.871 0.469 2.192 1.00 17.10 H new ATOM 0 HG LEU A 71 -9.834 -1.603 3.114 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -11.010 -3.056 1.454 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -12.114 -2.505 2.736 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -12.162 -1.739 1.130 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -8.958 -1.668 0.824 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -9.977 -0.275 0.389 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -8.689 -0.091 1.604 1.00 19.57 H new ATOM 1150 N ARG A 72 -10.905 3.464 3.092 1.00 21.47 N ATOM 1151 CA ARG A 72 -11.335 4.860 3.306 1.00 25.83 C ATOM 1152 C ARG A 72 -12.785 5.062 3.569 1.00 27.74 C ATOM 1153 O ARG A 72 -13.638 4.347 3.091 1.00 30.65 O ATOM 1154 CB ARG A 72 -11.054 5.751 2.049 1.00 28.49 C ATOM 1155 CG ARG A 72 -11.033 7.231 2.349 1.00 31.79 C ATOM 1156 CD ARG A 72 -10.342 8.097 1.337 1.00 34.05 C ATOM 1157 NE ARG A 72 -10.460 9.543 1.759 1.00 35.08 N ATOM 1158 CZ ARG A 72 -10.038 10.550 0.926 1.00 34.67 C ATOM 1159 NH1 ARG A 72 -9.750 10.320 -0.358 1.00 34.97 N ATOM 1160 NH2 ARG A 72 -9.745 11.706 1.544 1.00 35.02 N ATOM 0 H ARG A 72 -10.484 3.355 2.169 1.00 21.47 H new ATOM 0 HA ARG A 72 -10.758 5.136 4.188 1.00 25.83 H new ATOM 0 HB2 ARG A 72 -10.096 5.463 1.617 1.00 28.49 H new ATOM 0 HB3 ARG A 72 -11.816 5.552 1.296 1.00 28.49 H new ATOM 0 HG2 ARG A 72 -12.062 7.576 2.451 1.00 31.79 H new ATOM 0 HG3 ARG A 72 -10.550 7.379 3.315 1.00 31.79 H new ATOM 0 HD2 ARG A 72 -9.293 7.814 1.254 1.00 34.05 H new ATOM 0 HD3 ARG A 72 -10.789 7.955 0.353 1.00 34.05 H new ATOM 0 HE ARG A 72 -10.856 9.773 2.670 1.00 35.08 H new ATOM 0 HH11 ARG A 72 -9.842 9.379 -0.741 1.00 34.97 H new ATOM 0 HH12 ARG A 72 -9.438 11.085 -0.956 1.00 34.97 H new ATOM 0 HH21 ARG A 72 -9.844 11.782 2.556 1.00 35.02 H new ATOM 0 HH22 ARG A 72 -9.424 12.507 1.001 1.00 35.02 H new ATOM 1174 N LEU A 73 -13.206 6.063 4.406 1.00 28.93 N ATOM 1175 CA LEU A 73 -14.604 6.406 4.663 1.00 30.76 C ATOM 1176 C LEU A 73 -14.825 7.808 4.112 1.00 32.18 C ATOM 1177 O LEU A 73 -13.964 8.680 4.205 1.00 32.31 O ATOM 1178 CB LEU A 73 -14.901 6.371 6.175 1.00 30.53 C ATOM 1179 CG LEU A 73 -14.740 4.996 6.775 1.00 30.16 C ATOM 1180 CD1 LEU A 73 -14.759 5.055 8.294 1.00 29.57 C ATOM 1181 CD2 LEU A 73 -15.747 3.928 6.345 1.00 29.11 C ATOM 0 H LEU A 73 -12.552 6.653 4.921 1.00 28.93 H new ATOM 0 HA LEU A 73 -15.272 5.690 4.184 1.00 30.76 H new ATOM 0 HB2 LEU A 73 -14.235 7.065 6.687 1.00 30.53 H new ATOM 0 HB3 LEU A 73 -15.919 6.720 6.348 1.00 30.53 H new ATOM 0 HG LEU A 73 -13.775 4.683 6.377 1.00 30.16 H new ATOM 0 HD11 LEU A 73 -14.641 4.050 8.699 1.00 29.57 H new ATOM 0 HD12 LEU A 73 -13.941 5.685 8.644 1.00 29.57 H new ATOM 0 HD13 LEU A 73 -15.708 5.472 8.630 1.00 29.57 H new ATOM 0 HD21 LEU A 73 -15.519 2.989 6.849 1.00 29.11 H new ATOM 0 HD22 LEU A 73 -16.754 4.248 6.613 1.00 29.11 H new ATOM 0 HD23 LEU A 73 -15.687 3.785 5.266 1.00 29.11 H new ATOM 1193 N ARG A 74 -16.055 8.156 3.599 1.00 33.82 N ATOM 1194 CA ARG A 74 -16.381 9.520 3.147 1.00 35.33 C ATOM 1195 C ARG A 74 -16.360 10.563 4.196 1.00 36.22 C ATOM 1196 O ARG A 74 -16.067 11.728 3.891 1.00 36.70 O ATOM 1197 CB ARG A 74 -17.839 9.497 2.538 1.00 36.91 C ATOM 1198 CG ARG A 74 -18.044 8.670 1.193 1.00 38.62 C ATOM 1199 CD ARG A 74 -17.465 9.341 -0.016 1.00 39.75 C ATOM 1200 NE ARG A 74 -17.562 8.388 -1.131 1.00 41.13 N ATOM 1201 CZ ARG A 74 -16.887 8.658 -2.297 1.00 41.91 C ATOM 1202 NH1 ARG A 74 -16.361 9.854 -2.571 1.00 42.75 N ATOM 1203 NH2 ARG A 74 -16.751 7.691 -3.198 1.00 41.93 N ATOM 0 H ARG A 74 -16.825 7.495 3.496 1.00 33.82 H new ATOM 0 HA ARG A 74 -15.602 9.787 2.433 1.00 35.33 H new ATOM 0 HB2 ARG A 74 -18.515 9.093 3.291 1.00 36.91 H new ATOM 0 HB3 ARG A 74 -18.146 10.526 2.354 1.00 36.91 H new ATOM 0 HG2 ARG A 74 -17.587 7.687 1.307 1.00 38.62 H new ATOM 0 HG3 ARG A 74 -19.110 8.509 1.034 1.00 38.62 H new ATOM 0 HD2 ARG A 74 -18.009 10.257 -0.245 1.00 39.75 H new ATOM 0 HD3 ARG A 74 -16.427 9.622 0.160 1.00 39.75 H new ATOM 0 HE ARG A 74 -18.121 7.540 -1.041 1.00 41.13 H new ATOM 0 HH11 ARG A 74 -16.452 10.617 -1.900 1.00 42.75 H new ATOM 0 HH12 ARG A 74 -15.868 10.005 -3.451 1.00 42.75 H new ATOM 0 HH21 ARG A 74 -17.144 6.767 -3.018 1.00 41.93 H new ATOM 0 HH22 ARG A 74 -16.253 7.872 -4.070 1.00 41.93 H new ATOM 1217 N GLY A 75 -16.811 10.249 5.464 1.00 36.31 N ATOM 1218 CA GLY A 75 -16.899 11.211 6.556 1.00 36.07 C ATOM 1219 C GLY A 75 -15.953 10.991 7.743 1.00 36.16 C ATOM 1220 O GLY A 75 -16.075 11.647 8.744 1.00 36.26 O ATOM 0 H GLY A 75 -17.117 9.312 5.725 1.00 36.31 H new ATOM 0 HA2 GLY A 75 -16.711 12.205 6.150 1.00 36.07 H new ATOM 0 HA3 GLY A 75 -17.922 11.208 6.931 1.00 36.07 H new ATOM 1224 N GLY A 76 -14.979 10.092 7.588 1.00 36.05 N ATOM 1225 CA GLY A 76 -13.904 9.783 8.505 1.00 36.19 C ATOM 1226 C GLY A 76 -12.559 10.288 8.076 1.00 36.20 C ATOM 1227 O GLY A 76 -11.662 9.505 7.718 1.00 0.00 O ATOM 1228 OXT GLY A 76 -12.290 11.552 8.173 1.00 0.00 O ATOM 0 H GLY A 76 -14.927 9.520 6.745 1.00 36.05 H new ATOM 0 HA2 GLY A 76 -14.143 10.205 9.481 1.00 36.19 H new ATOM 0 HA3 GLY A 76 -13.849 8.702 8.630 1.00 36.19 H new TER 1232 GLY A 76