USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 586 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 Single : A 1 MET CE :methyl -166:sc= -0.473 (180deg=-0.959) USER MOD Single : A 1 MET N :NH3+ 154:sc= 1.22 (180deg=0.842) USER MOD Single : A 2 GLN : amide:sc=-0.00121 K(o=-0.0012,f=-1.3) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot 170:sc= 0.225 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ -127:sc= 1.24 (180deg=-0.123) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=-0.022) USER MOD Single : A 27 LYS NZ :NH3+ 125:sc= 1.32 (180deg=0.708) USER MOD Single : A 29 LYS NZ :NH3+ 146:sc= 0.653 (180deg=0.106) USER MOD Single : A 31 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.467 X(o=-0.47,f=-0.33) USER MOD Single : A 41 GLN : amide:sc= -0.121 K(o=-0.12,f=-3) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0.0176 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 90:sc= 0.509 USER MOD Single : A 60 ASN : amide:sc= -0.063 K(o=-0.063,f=-1) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=-0.025) USER MOD Single : A 63 LYS NZ :NH3+ -133:sc= 0 (180deg=-0.0673) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0.125 USER MOD Single : A 68 HIS : no HE2:sc= -1.75 K(o=-1.8,f=-0.37) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -12.537 3.843 -1.704 1.00 9.67 N ATOM 2 CA MET A 1 -11.877 4.460 -0.532 1.00 10.38 C ATOM 3 C MET A 1 -10.495 5.001 -0.666 1.00 9.62 C ATOM 4 O MET A 1 -9.654 4.353 -1.286 1.00 9.62 O ATOM 5 CB MET A 1 -11.848 3.468 0.643 1.00 13.77 C ATOM 6 CG MET A 1 -10.997 2.199 0.576 1.00 16.29 C ATOM 7 SD MET A 1 -11.438 0.897 1.766 1.00 17.17 S ATOM 8 CE MET A 1 -9.715 0.324 1.771 1.00 16.11 C ATOM 0 H1 MET A 1 -13.248 3.156 -1.380 1.00 9.67 H new ATOM 0 H2 MET A 1 -13.002 4.582 -2.270 1.00 9.67 H new ATOM 0 H3 MET A 1 -11.826 3.357 -2.287 1.00 9.67 H new ATOM 0 HA MET A 1 -12.506 5.338 -0.384 1.00 10.38 H new ATOM 0 HB2 MET A 1 -11.525 4.024 1.523 1.00 13.77 H new ATOM 0 HB3 MET A 1 -12.876 3.155 0.823 1.00 13.77 H new ATOM 0 HG2 MET A 1 -11.069 1.787 -0.430 1.00 16.29 H new ATOM 0 HG3 MET A 1 -9.954 2.473 0.734 1.00 16.29 H new ATOM 0 HE1 MET A 1 -9.660 -0.660 2.236 1.00 16.11 H new ATOM 0 HE2 MET A 1 -9.349 0.261 0.746 1.00 16.11 H new ATOM 0 HE3 MET A 1 -9.100 1.026 2.333 1.00 16.11 H new ATOM 20 N GLN A 2 -10.231 6.188 -0.090 1.00 9.27 N ATOM 21 CA GLN A 2 -8.890 6.623 0.144 1.00 9.07 C ATOM 22 C GLN A 2 -8.083 5.837 1.120 1.00 8.72 C ATOM 23 O GLN A 2 -8.608 5.320 2.105 1.00 8.22 O ATOM 24 CB GLN A 2 -8.921 8.101 0.570 1.00 14.46 C ATOM 25 CG GLN A 2 -9.554 9.040 -0.459 1.00 17.01 C ATOM 26 CD GLN A 2 -9.000 10.457 -0.505 1.00 20.10 C ATOM 27 OE1 GLN A 2 -8.375 10.834 0.485 1.00 21.89 O ATOM 28 NE2 GLN A 2 -9.338 11.283 -1.531 1.00 19.49 N ATOM 0 H GLN A 2 -10.948 6.847 0.214 1.00 9.27 H new ATOM 0 HA GLN A 2 -8.375 6.464 -0.804 1.00 9.07 H new ATOM 0 HB2 GLN A 2 -9.470 8.185 1.508 1.00 14.46 H new ATOM 0 HB3 GLN A 2 -7.901 8.432 0.767 1.00 14.46 H new ATOM 0 HG2 GLN A 2 -9.438 8.594 -1.447 1.00 17.01 H new ATOM 0 HG3 GLN A 2 -10.624 9.097 -0.259 1.00 17.01 H new ATOM 0 HE21 GLN A 2 -9.857 10.918 -2.329 1.00 19.49 H new ATOM 0 HE22 GLN A 2 -9.072 12.267 -1.502 1.00 19.49 H new ATOM 37 N ILE A 3 -6.785 5.600 0.860 1.00 5.87 N ATOM 38 CA ILE A 3 -5.834 5.115 1.811 1.00 5.07 C ATOM 39 C ILE A 3 -4.656 6.021 1.914 1.00 4.01 C ATOM 40 O ILE A 3 -4.324 6.723 0.960 1.00 4.61 O ATOM 41 CB ILE A 3 -5.516 3.667 1.578 1.00 6.55 C ATOM 42 CG1 ILE A 3 -5.060 3.471 0.123 1.00 4.72 C ATOM 43 CG2 ILE A 3 -6.763 2.831 1.908 1.00 5.58 C ATOM 44 CD1 ILE A 3 -4.494 2.094 -0.218 1.00 10.83 C ATOM 0 H ILE A 3 -6.378 5.755 -0.062 1.00 5.87 H new ATOM 0 HA ILE A 3 -6.281 5.138 2.805 1.00 5.07 H new ATOM 0 HB ILE A 3 -4.702 3.338 2.224 1.00 6.55 H new ATOM 0 HG12 ILE A 3 -5.908 3.667 -0.533 1.00 4.72 H new ATOM 0 HG13 ILE A 3 -4.302 4.221 -0.104 1.00 4.72 H new ATOM 0 HG21 ILE A 3 -6.547 1.775 1.743 1.00 5.58 H new ATOM 0 HG22 ILE A 3 -7.040 2.986 2.951 1.00 5.58 H new ATOM 0 HG23 ILE A 3 -7.587 3.138 1.264 1.00 5.58 H new ATOM 0 HD11 ILE A 3 -4.205 2.069 -1.269 1.00 10.83 H new ATOM 0 HD12 ILE A 3 -3.621 1.896 0.403 1.00 10.83 H new ATOM 0 HD13 ILE A 3 -5.252 1.333 -0.032 1.00 10.83 H new ATOM 56 N PHE A 4 -3.890 5.947 3.017 1.00 4.55 N ATOM 57 CA PHE A 4 -2.639 6.632 3.104 1.00 4.68 C ATOM 58 C PHE A 4 -1.429 5.763 3.102 1.00 5.30 C ATOM 59 O PHE A 4 -1.291 5.039 4.087 1.00 5.58 O ATOM 60 CB PHE A 4 -2.588 7.304 4.487 1.00 4.83 C ATOM 61 CG PHE A 4 -3.762 8.214 4.602 1.00 7.97 C ATOM 62 CD1 PHE A 4 -4.092 9.346 3.896 1.00 8.34 C ATOM 63 CD2 PHE A 4 -4.636 7.860 5.603 1.00 6.69 C ATOM 64 CE1 PHE A 4 -5.212 10.122 4.078 1.00 10.61 C ATOM 65 CE2 PHE A 4 -5.717 8.663 5.878 1.00 9.10 C ATOM 66 CZ PHE A 4 -6.061 9.735 5.088 1.00 8.90 C ATOM 0 H PHE A 4 -4.138 5.412 3.849 1.00 4.55 H new ATOM 0 HA PHE A 4 -2.608 7.285 2.232 1.00 4.68 H new ATOM 0 HB2 PHE A 4 -2.610 6.553 5.276 1.00 4.83 H new ATOM 0 HB3 PHE A 4 -1.660 7.863 4.605 1.00 4.83 H new ATOM 0 HD1 PHE A 4 -3.404 9.656 3.123 1.00 8.34 H new ATOM 0 HD2 PHE A 4 -4.474 6.955 6.170 1.00 6.69 H new ATOM 0 HE1 PHE A 4 -5.414 10.986 3.463 1.00 10.61 H new ATOM 0 HE2 PHE A 4 -6.319 8.444 6.747 1.00 9.10 H new ATOM 0 HZ PHE A 4 -6.986 10.266 5.259 1.00 8.90 H new ATOM 76 N VAL A 5 -0.459 5.892 2.179 1.00 4.44 N ATOM 77 CA VAL A 5 0.664 5.008 2.230 1.00 3.87 C ATOM 78 C VAL A 5 1.759 5.929 2.645 1.00 4.93 C ATOM 79 O VAL A 5 2.212 6.778 1.879 1.00 6.84 O ATOM 80 CB VAL A 5 0.865 4.320 0.913 1.00 2.99 C ATOM 81 CG1 VAL A 5 2.129 3.473 1.131 1.00 5.28 C ATOM 82 CG2 VAL A 5 -0.375 3.499 0.520 1.00 9.13 C ATOM 0 H VAL A 5 -0.448 6.579 1.425 1.00 4.44 H new ATOM 0 HA VAL A 5 0.573 4.167 2.917 1.00 3.87 H new ATOM 0 HB VAL A 5 0.994 5.006 0.075 1.00 2.99 H new ATOM 0 HG11 VAL A 5 2.363 2.926 0.218 1.00 5.28 H new ATOM 0 HG12 VAL A 5 2.964 4.125 1.387 1.00 5.28 H new ATOM 0 HG13 VAL A 5 1.958 2.766 1.943 1.00 5.28 H new ATOM 0 HG21 VAL A 5 -0.200 3.012 -0.439 1.00 9.13 H new ATOM 0 HG22 VAL A 5 -0.567 2.743 1.281 1.00 9.13 H new ATOM 0 HG23 VAL A 5 -1.238 4.160 0.439 1.00 9.13 H new ATOM 92 N LYS A 6 2.199 5.711 3.897 1.00 6.04 N ATOM 93 CA LYS A 6 3.289 6.362 4.556 1.00 6.12 C ATOM 94 C LYS A 6 4.634 5.899 4.111 1.00 6.57 C ATOM 95 O LYS A 6 4.862 4.703 3.939 1.00 5.76 O ATOM 96 CB LYS A 6 3.150 6.250 6.083 1.00 7.45 C ATOM 97 CG LYS A 6 1.849 6.633 6.791 1.00 11.12 C ATOM 98 CD LYS A 6 1.991 7.455 8.073 1.00 14.54 C ATOM 99 CE LYS A 6 2.592 6.612 9.200 1.00 18.84 C ATOM 100 NZ LYS A 6 2.812 7.558 10.317 1.00 20.55 N ATOM 0 H LYS A 6 1.752 5.019 4.499 1.00 6.04 H new ATOM 0 HA LYS A 6 3.226 7.410 4.264 1.00 6.12 H new ATOM 0 HB2 LYS A 6 3.363 5.214 6.347 1.00 7.45 H new ATOM 0 HB3 LYS A 6 3.941 6.859 6.520 1.00 7.45 H new ATOM 0 HG2 LYS A 6 1.231 7.195 6.091 1.00 11.12 H new ATOM 0 HG3 LYS A 6 1.307 5.718 7.030 1.00 11.12 H new ATOM 0 HD2 LYS A 6 2.624 8.322 7.885 1.00 14.54 H new ATOM 0 HD3 LYS A 6 1.015 7.833 8.377 1.00 14.54 H new ATOM 0 HE2 LYS A 6 1.917 5.807 9.493 1.00 18.84 H new ATOM 0 HE3 LYS A 6 3.527 6.147 8.888 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 3.223 7.050 11.126 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 3.464 8.309 10.013 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 1.904 7.980 10.598 1.00 20.55 H new ATOM 114 N THR A 7 5.558 6.844 3.865 1.00 7.41 N ATOM 115 CA THR A 7 6.809 6.454 3.292 1.00 7.48 C ATOM 116 C THR A 7 7.804 6.342 4.395 1.00 8.75 C ATOM 117 O THR A 7 7.428 6.307 5.565 1.00 8.58 O ATOM 118 CB THR A 7 7.228 7.349 2.163 1.00 9.61 C ATOM 119 OG1 THR A 7 7.506 8.682 2.565 1.00 11.78 O ATOM 120 CG2 THR A 7 6.151 7.266 1.068 1.00 9.17 C ATOM 0 H THR A 7 5.449 7.840 4.053 1.00 7.41 H new ATOM 0 HA THR A 7 6.720 5.478 2.814 1.00 7.48 H new ATOM 0 HB THR A 7 8.182 6.998 1.769 1.00 9.61 H new ATOM 0 HG1 THR A 7 7.924 9.167 1.823 1.00 11.78 H new ATOM 0 HG21 THR A 7 6.431 7.909 0.233 1.00 9.17 H new ATOM 0 HG22 THR A 7 6.064 6.237 0.720 1.00 9.17 H new ATOM 0 HG23 THR A 7 5.194 7.594 1.473 1.00 9.17 H new ATOM 128 N LEU A 8 9.099 6.204 4.057 1.00 9.84 N ATOM 129 CA LEU A 8 10.076 5.845 5.037 1.00 14.15 C ATOM 130 C LEU A 8 10.601 7.125 5.591 1.00 17.37 C ATOM 131 O LEU A 8 10.909 7.202 6.780 1.00 17.01 O ATOM 132 CB LEU A 8 11.237 5.058 4.405 1.00 16.63 C ATOM 133 CG LEU A 8 12.262 4.395 5.339 1.00 18.88 C ATOM 134 CD1 LEU A 8 11.531 3.453 6.311 1.00 18.59 C ATOM 135 CD2 LEU A 8 13.264 3.568 4.516 1.00 19.31 C ATOM 0 H LEU A 8 9.467 6.339 3.115 1.00 9.84 H new ATOM 0 HA LEU A 8 9.628 5.212 5.803 1.00 14.15 H new ATOM 0 HB2 LEU A 8 10.807 4.278 3.777 1.00 16.63 H new ATOM 0 HB3 LEU A 8 11.778 5.736 3.745 1.00 16.63 H new ATOM 0 HG LEU A 8 12.792 5.171 5.891 1.00 18.88 H new ATOM 0 HD11 LEU A 8 12.256 2.981 6.975 1.00 18.59 H new ATOM 0 HD12 LEU A 8 10.815 4.024 6.902 1.00 18.59 H new ATOM 0 HD13 LEU A 8 11.003 2.685 5.746 1.00 18.59 H new ATOM 0 HD21 LEU A 8 13.987 3.101 5.185 1.00 19.31 H new ATOM 0 HD22 LEU A 8 12.730 2.795 3.963 1.00 19.31 H new ATOM 0 HD23 LEU A 8 13.786 4.220 3.816 1.00 19.31 H new ATOM 147 N THR A 9 10.754 8.109 4.687 1.00 18.33 N ATOM 148 CA THR A 9 11.082 9.457 5.036 1.00 19.24 C ATOM 149 C THR A 9 10.002 10.244 5.695 1.00 19.48 C ATOM 150 O THR A 9 9.972 10.415 6.913 1.00 23.14 O ATOM 151 CB THR A 9 11.778 10.287 3.998 1.00 18.97 C ATOM 152 OG1 THR A 9 11.023 10.348 2.797 1.00 20.24 O ATOM 153 CG2 THR A 9 13.080 9.565 3.614 1.00 19.70 C ATOM 0 H THR A 9 10.646 7.963 3.683 1.00 18.33 H new ATOM 0 HA THR A 9 11.835 9.243 5.794 1.00 19.24 H new ATOM 0 HB THR A 9 11.930 11.285 4.409 1.00 18.97 H new ATOM 0 HG1 THR A 9 11.499 10.896 2.139 1.00 20.24 H new ATOM 0 HG21 THR A 9 13.609 10.146 2.859 1.00 19.70 H new ATOM 0 HG22 THR A 9 13.710 9.457 4.497 1.00 19.70 H new ATOM 0 HG23 THR A 9 12.845 8.579 3.214 1.00 19.70 H new ATOM 161 N GLY A 10 8.916 10.623 4.999 1.00 19.43 N ATOM 162 CA GLY A 10 7.852 11.340 5.631 1.00 18.74 C ATOM 163 C GLY A 10 6.780 11.948 4.793 1.00 17.62 C ATOM 164 O GLY A 10 6.340 13.053 5.108 1.00 19.74 O ATOM 0 H GLY A 10 8.774 10.435 4.006 1.00 19.43 H new ATOM 0 HA2 GLY A 10 7.371 10.659 6.334 1.00 18.74 H new ATOM 0 HA3 GLY A 10 8.301 12.140 6.219 1.00 18.74 H new ATOM 168 N LYS A 11 6.297 11.224 3.768 1.00 13.56 N ATOM 169 CA LYS A 11 5.384 11.681 2.766 1.00 11.91 C ATOM 170 C LYS A 11 4.127 10.920 3.015 1.00 10.18 C ATOM 171 O LYS A 11 4.280 9.703 3.098 1.00 9.10 O ATOM 172 CB LYS A 11 5.995 11.504 1.366 1.00 13.43 C ATOM 173 CG LYS A 11 5.138 11.885 0.158 1.00 16.69 C ATOM 174 CD LYS A 11 5.981 11.995 -1.114 1.00 17.92 C ATOM 175 CE LYS A 11 5.360 12.725 -2.306 1.00 20.81 C ATOM 176 NZ LYS A 11 6.325 12.924 -3.411 1.00 21.93 N ATOM 0 H LYS A 11 6.564 10.249 3.630 1.00 13.56 H new ATOM 0 HA LYS A 11 5.167 12.748 2.814 1.00 11.91 H new ATOM 0 HB2 LYS A 11 6.912 12.092 1.324 1.00 13.43 H new ATOM 0 HB3 LYS A 11 6.282 10.458 1.256 1.00 13.43 H new ATOM 0 HG2 LYS A 11 4.357 11.139 0.015 1.00 16.69 H new ATOM 0 HG3 LYS A 11 4.640 12.835 0.349 1.00 16.69 H new ATOM 0 HD2 LYS A 11 6.913 12.499 -0.858 1.00 17.92 H new ATOM 0 HD3 LYS A 11 6.241 10.986 -1.435 1.00 17.92 H new ATOM 0 HE2 LYS A 11 4.505 12.156 -2.672 1.00 20.81 H new ATOM 0 HE3 LYS A 11 4.982 13.693 -1.979 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 6.347 13.929 -3.676 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 7.273 12.627 -3.102 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 6.035 12.356 -4.232 1.00 21.93 H new ATOM 190 N THR A 12 2.932 11.527 3.120 1.00 9.63 N ATOM 191 CA THR A 12 1.707 10.792 3.048 1.00 9.85 C ATOM 192 C THR A 12 1.261 10.689 1.630 1.00 11.66 C ATOM 193 O THR A 12 0.620 11.540 1.015 1.00 12.33 O ATOM 194 CB THR A 12 0.555 11.432 3.764 1.00 10.85 C ATOM 195 OG1 THR A 12 0.836 11.710 5.128 1.00 10.91 O ATOM 196 CG2 THR A 12 -0.747 10.612 3.764 1.00 9.63 C ATOM 0 H THR A 12 2.813 12.531 3.255 1.00 9.63 H new ATOM 0 HA THR A 12 1.939 9.834 3.514 1.00 9.85 H new ATOM 0 HB THR A 12 0.412 12.345 3.186 1.00 10.85 H new ATOM 0 HG1 THR A 12 0.053 12.127 5.545 1.00 10.91 H new ATOM 0 HG21 THR A 12 -1.520 11.157 4.305 1.00 9.63 H new ATOM 0 HG22 THR A 12 -1.072 10.445 2.737 1.00 9.63 H new ATOM 0 HG23 THR A 12 -0.572 9.652 4.250 1.00 9.63 H new ATOM 204 N ILE A 13 1.413 9.497 1.027 1.00 10.42 N ATOM 205 CA ILE A 13 0.936 9.238 -0.296 1.00 11.84 C ATOM 206 C ILE A 13 -0.491 8.810 -0.286 1.00 10.55 C ATOM 207 O ILE A 13 -0.767 7.677 0.106 1.00 11.92 O ATOM 208 CB ILE A 13 1.655 8.195 -1.100 1.00 14.86 C ATOM 209 CG1 ILE A 13 3.162 8.498 -1.063 1.00 14.87 C ATOM 210 CG2 ILE A 13 1.139 8.185 -2.549 1.00 17.08 C ATOM 211 CD1 ILE A 13 4.092 7.532 -1.796 1.00 16.46 C ATOM 0 H ILE A 13 1.875 8.700 1.465 1.00 10.42 H new ATOM 0 HA ILE A 13 1.111 10.203 -0.773 1.00 11.84 H new ATOM 0 HB ILE A 13 1.471 7.209 -0.674 1.00 14.86 H new ATOM 0 HG12 ILE A 13 3.316 9.494 -1.479 1.00 14.87 H new ATOM 0 HG13 ILE A 13 3.472 8.537 -0.019 1.00 14.87 H new ATOM 0 HG21 ILE A 13 1.670 7.423 -3.119 1.00 17.08 H new ATOM 0 HG22 ILE A 13 0.072 7.963 -2.554 1.00 17.08 H new ATOM 0 HG23 ILE A 13 1.309 9.162 -3.002 1.00 17.08 H new ATOM 0 HD11 ILE A 13 5.124 7.867 -1.687 1.00 16.46 H new ATOM 0 HD12 ILE A 13 3.988 6.534 -1.371 1.00 16.46 H new ATOM 0 HD13 ILE A 13 3.829 7.505 -2.853 1.00 16.46 H new ATOM 223 N THR A 14 -1.461 9.601 -0.780 1.00 9.39 N ATOM 224 CA THR A 14 -2.843 9.263 -0.639 1.00 9.63 C ATOM 225 C THR A 14 -3.463 8.658 -1.851 1.00 11.20 C ATOM 226 O THR A 14 -3.629 9.372 -2.838 1.00 11.63 O ATOM 227 CB THR A 14 -3.641 10.491 -0.311 1.00 10.38 C ATOM 228 OG1 THR A 14 -3.044 11.154 0.794 1.00 16.30 O ATOM 229 CG2 THR A 14 -5.078 10.211 0.160 1.00 11.66 C ATOM 0 H THR A 14 -1.288 10.475 -1.277 1.00 9.39 H new ATOM 0 HA THR A 14 -2.865 8.519 0.157 1.00 9.63 H new ATOM 0 HB THR A 14 -3.660 11.063 -1.239 1.00 10.38 H new ATOM 0 HG1 THR A 14 -3.561 11.958 1.011 1.00 16.30 H new ATOM 0 HG21 THR A 14 -5.581 11.154 0.375 1.00 11.66 H new ATOM 0 HG22 THR A 14 -5.621 9.681 -0.623 1.00 11.66 H new ATOM 0 HG23 THR A 14 -5.053 9.600 1.062 1.00 11.66 H new ATOM 237 N LEU A 15 -3.875 7.378 -1.812 1.00 8.29 N ATOM 238 CA LEU A 15 -4.226 6.642 -2.987 1.00 9.03 C ATOM 239 C LEU A 15 -5.663 6.248 -2.987 1.00 8.59 C ATOM 240 O LEU A 15 -6.210 5.922 -1.935 1.00 7.79 O ATOM 241 CB LEU A 15 -3.435 5.327 -3.097 1.00 11.08 C ATOM 242 CG LEU A 15 -1.928 5.529 -3.327 1.00 15.79 C ATOM 243 CD1 LEU A 15 -1.266 4.151 -3.163 1.00 15.27 C ATOM 244 CD2 LEU A 15 -1.500 6.162 -4.662 1.00 15.88 C ATOM 0 H LEU A 15 -3.966 6.844 -0.948 1.00 8.29 H new ATOM 0 HA LEU A 15 -3.999 7.311 -3.817 1.00 9.03 H new ATOM 0 HB2 LEU A 15 -3.580 4.749 -2.184 1.00 11.08 H new ATOM 0 HB3 LEU A 15 -3.843 4.736 -3.917 1.00 11.08 H new ATOM 0 HG LEU A 15 -1.603 6.267 -2.594 1.00 15.79 H new ATOM 0 HD11 LEU A 15 -0.191 4.243 -3.318 1.00 15.27 H new ATOM 0 HD12 LEU A 15 -1.457 3.773 -2.159 1.00 15.27 H new ATOM 0 HD13 LEU A 15 -1.680 3.459 -3.896 1.00 15.27 H new ATOM 0 HD21 LEU A 15 -0.414 6.246 -4.693 1.00 15.88 H new ATOM 0 HD22 LEU A 15 -1.839 5.535 -5.487 1.00 15.88 H new ATOM 0 HD23 LEU A 15 -1.944 7.153 -4.753 1.00 15.88 H new ATOM 256 N GLU A 16 -6.390 6.317 -4.116 1.00 11.04 N ATOM 257 CA GLU A 16 -7.775 5.963 -4.145 1.00 11.50 C ATOM 258 C GLU A 16 -7.953 4.560 -4.614 1.00 10.13 C ATOM 259 O GLU A 16 -7.666 4.204 -5.756 1.00 9.83 O ATOM 260 CB GLU A 16 -8.532 6.928 -5.073 1.00 17.22 C ATOM 261 CG GLU A 16 -10.027 6.618 -5.157 1.00 23.33 C ATOM 262 CD GLU A 16 -10.676 7.692 -6.018 1.00 26.99 C ATOM 263 OE1 GLU A 16 -10.378 8.883 -5.733 1.00 28.86 O ATOM 264 OE2 GLU A 16 -11.633 7.442 -6.799 1.00 28.90 O ATOM 0 H GLU A 16 -6.015 6.620 -5.015 1.00 11.04 H new ATOM 0 HA GLU A 16 -8.177 6.038 -3.135 1.00 11.50 H new ATOM 0 HB2 GLU A 16 -8.397 7.949 -4.716 1.00 17.22 H new ATOM 0 HB3 GLU A 16 -8.099 6.879 -6.072 1.00 17.22 H new ATOM 0 HG2 GLU A 16 -10.189 5.631 -5.590 1.00 23.33 H new ATOM 0 HG3 GLU A 16 -10.471 6.606 -4.162 1.00 23.33 H new ATOM 271 N VAL A 17 -8.343 3.621 -3.733 1.00 8.99 N ATOM 272 CA VAL A 17 -8.427 2.236 -4.079 1.00 8.85 C ATOM 273 C VAL A 17 -9.840 1.791 -3.923 1.00 8.04 C ATOM 274 O VAL A 17 -10.688 2.382 -3.256 1.00 8.99 O ATOM 275 CB VAL A 17 -7.529 1.376 -3.240 1.00 9.78 C ATOM 276 CG1 VAL A 17 -6.039 1.639 -3.516 1.00 12.05 C ATOM 277 CG2 VAL A 17 -7.801 1.597 -1.743 1.00 10.54 C ATOM 0 H VAL A 17 -8.603 3.826 -2.768 1.00 8.99 H new ATOM 0 HA VAL A 17 -8.095 2.126 -5.111 1.00 8.85 H new ATOM 0 HB VAL A 17 -7.753 0.345 -3.513 1.00 9.78 H new ATOM 0 HG11 VAL A 17 -5.432 0.991 -2.883 1.00 12.05 H new ATOM 0 HG12 VAL A 17 -5.821 1.431 -4.564 1.00 12.05 H new ATOM 0 HG13 VAL A 17 -5.807 2.681 -3.297 1.00 12.05 H new ATOM 0 HG21 VAL A 17 -7.138 0.962 -1.155 1.00 10.54 H new ATOM 0 HG22 VAL A 17 -7.621 2.642 -1.491 1.00 10.54 H new ATOM 0 HG23 VAL A 17 -8.837 1.343 -1.520 1.00 10.54 H new ATOM 287 N GLU A 18 -10.183 0.716 -4.657 1.00 7.29 N ATOM 288 CA GLU A 18 -11.427 0.031 -4.492 1.00 7.08 C ATOM 289 C GLU A 18 -11.205 -1.285 -3.829 1.00 6.45 C ATOM 290 O GLU A 18 -10.244 -1.979 -4.155 1.00 5.28 O ATOM 291 CB GLU A 18 -12.097 -0.056 -5.874 1.00 10.28 C ATOM 292 CG GLU A 18 -12.185 1.261 -6.648 1.00 12.65 C ATOM 293 CD GLU A 18 -13.272 1.137 -7.706 1.00 14.15 C ATOM 294 OE1 GLU A 18 -13.505 0.005 -8.207 1.00 14.33 O ATOM 295 OE2 GLU A 18 -13.811 2.191 -8.138 1.00 18.17 O ATOM 0 H GLU A 18 -9.584 0.315 -5.379 1.00 7.29 H new ATOM 0 HA GLU A 18 -12.107 0.567 -3.830 1.00 7.08 H new ATOM 0 HB2 GLU A 18 -11.548 -0.777 -6.480 1.00 10.28 H new ATOM 0 HB3 GLU A 18 -13.105 -0.450 -5.745 1.00 10.28 H new ATOM 0 HG2 GLU A 18 -12.411 2.083 -5.969 1.00 12.65 H new ATOM 0 HG3 GLU A 18 -11.227 1.488 -7.116 1.00 12.65 H new ATOM 302 N PRO A 19 -12.010 -1.672 -2.884 1.00 7.24 N ATOM 303 CA PRO A 19 -11.619 -2.610 -1.873 1.00 7.07 C ATOM 304 C PRO A 19 -11.647 -4.025 -2.340 1.00 6.65 C ATOM 305 O PRO A 19 -11.253 -4.860 -1.527 1.00 6.37 O ATOM 306 CB PRO A 19 -12.627 -2.370 -0.751 1.00 7.61 C ATOM 307 CG PRO A 19 -13.947 -1.933 -1.405 1.00 8.16 C ATOM 308 CD PRO A 19 -13.271 -1.068 -2.481 1.00 7.49 C ATOM 0 HA PRO A 19 -10.584 -2.460 -1.564 1.00 7.07 H new ATOM 0 HB2 PRO A 19 -12.771 -3.277 -0.164 1.00 7.61 H new ATOM 0 HB3 PRO A 19 -12.265 -1.602 -0.067 1.00 7.61 H new ATOM 0 HG2 PRO A 19 -14.532 -2.759 -1.809 1.00 8.16 H new ATOM 0 HG3 PRO A 19 -14.603 -1.373 -0.739 1.00 8.16 H new ATOM 0 HD2 PRO A 19 -13.928 -0.968 -3.345 1.00 7.49 H new ATOM 0 HD3 PRO A 19 -13.096 -0.064 -2.095 1.00 7.49 H new ATOM 316 N SER A 20 -12.116 -4.334 -3.562 1.00 6.80 N ATOM 317 CA SER A 20 -12.202 -5.624 -4.173 1.00 6.28 C ATOM 318 C SER A 20 -10.990 -5.905 -4.993 1.00 8.45 C ATOM 319 O SER A 20 -10.941 -7.077 -5.363 1.00 7.26 O ATOM 320 CB SER A 20 -13.376 -5.718 -5.162 1.00 8.57 C ATOM 321 OG SER A 20 -14.572 -5.428 -4.454 1.00 11.13 O ATOM 0 H SER A 20 -12.470 -3.605 -4.182 1.00 6.80 H new ATOM 0 HA SER A 20 -12.321 -6.327 -3.348 1.00 6.28 H new ATOM 0 HB2 SER A 20 -13.239 -5.014 -5.983 1.00 8.57 H new ATOM 0 HB3 SER A 20 -13.425 -6.714 -5.601 1.00 8.57 H new ATOM 0 HG SER A 20 -15.335 -5.480 -5.066 1.00 11.13 H new ATOM 327 N ASP A 21 -10.102 -4.918 -5.210 1.00 7.50 N ATOM 328 CA ASP A 21 -8.781 -5.087 -5.729 1.00 7.70 C ATOM 329 C ASP A 21 -7.775 -5.592 -4.752 1.00 7.08 C ATOM 330 O ASP A 21 -8.037 -5.755 -3.561 1.00 8.11 O ATOM 331 CB ASP A 21 -8.360 -3.766 -6.395 1.00 11.00 C ATOM 332 CG ASP A 21 -9.143 -3.500 -7.672 1.00 15.32 C ATOM 333 OD1 ASP A 21 -9.354 -4.458 -8.464 1.00 18.03 O ATOM 334 OD2 ASP A 21 -9.570 -2.321 -7.791 1.00 14.36 O ATOM 0 H ASP A 21 -10.321 -3.942 -5.010 1.00 7.50 H new ATOM 0 HA ASP A 21 -8.812 -5.890 -6.466 1.00 7.70 H new ATOM 0 HB2 ASP A 21 -8.513 -2.943 -5.697 1.00 11.00 H new ATOM 0 HB3 ASP A 21 -7.294 -3.797 -6.622 1.00 11.00 H new ATOM 339 N THR A 22 -6.518 -5.827 -5.168 1.00 5.37 N ATOM 340 CA THR A 22 -5.571 -6.516 -4.348 1.00 6.01 C ATOM 341 C THR A 22 -4.450 -5.598 -3.999 1.00 8.01 C ATOM 342 O THR A 22 -4.451 -4.392 -4.239 1.00 8.11 O ATOM 343 CB THR A 22 -4.898 -7.697 -4.982 1.00 8.92 C ATOM 344 OG1 THR A 22 -4.258 -7.412 -6.217 1.00 10.22 O ATOM 345 CG2 THR A 22 -5.841 -8.883 -5.240 1.00 9.65 C ATOM 0 H THR A 22 -6.156 -5.538 -6.077 1.00 5.37 H new ATOM 0 HA THR A 22 -6.168 -6.860 -3.503 1.00 6.01 H new ATOM 0 HB THR A 22 -4.152 -7.961 -4.232 1.00 8.92 H new ATOM 0 HG1 THR A 22 -3.842 -8.228 -6.566 1.00 10.22 H new ATOM 0 HG21 THR A 22 -5.283 -9.698 -5.700 1.00 9.65 H new ATOM 0 HG22 THR A 22 -6.266 -9.222 -4.295 1.00 9.65 H new ATOM 0 HG23 THR A 22 -6.644 -8.571 -5.908 1.00 9.65 H new ATOM 353 N ILE A 23 -3.432 -6.071 -3.258 1.00 8.32 N ATOM 354 CA ILE A 23 -2.267 -5.305 -2.941 1.00 9.92 C ATOM 355 C ILE A 23 -1.474 -4.923 -4.143 1.00 10.01 C ATOM 356 O ILE A 23 -0.740 -3.937 -4.197 1.00 8.71 O ATOM 357 CB ILE A 23 -1.522 -5.900 -1.783 1.00 10.78 C ATOM 358 CG1 ILE A 23 -2.468 -6.287 -0.634 1.00 11.38 C ATOM 359 CG2 ILE A 23 -0.336 -5.039 -1.315 1.00 10.90 C ATOM 360 CD1 ILE A 23 -3.160 -5.195 0.181 1.00 12.30 C ATOM 0 H ILE A 23 -3.419 -7.013 -2.868 1.00 8.32 H new ATOM 0 HA ILE A 23 -2.577 -4.328 -2.570 1.00 9.92 H new ATOM 0 HB ILE A 23 -1.075 -6.824 -2.149 1.00 10.78 H new ATOM 0 HG12 ILE A 23 -3.248 -6.922 -1.055 1.00 11.38 H new ATOM 0 HG13 ILE A 23 -1.898 -6.901 0.063 1.00 11.38 H new ATOM 0 HG21 ILE A 23 0.159 -5.527 -0.475 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.373 -4.920 -2.134 1.00 10.90 H new ATOM 0 HG23 ILE A 23 -0.698 -4.059 -1.003 1.00 10.90 H new ATOM 0 HD11 ILE A 23 -3.787 -5.654 0.946 1.00 12.30 H new ATOM 0 HD12 ILE A 23 -2.409 -4.565 0.657 1.00 12.30 H new ATOM 0 HD13 ILE A 23 -3.779 -4.586 -0.478 1.00 12.30 H new ATOM 372 N GLU A 24 -1.391 -5.781 -5.175 1.00 9.54 N ATOM 373 CA GLU A 24 -0.742 -5.459 -6.408 1.00 11.81 C ATOM 374 C GLU A 24 -1.216 -4.200 -7.049 1.00 11.14 C ATOM 375 O GLU A 24 -0.426 -3.406 -7.559 1.00 10.62 O ATOM 376 CB GLU A 24 -0.993 -6.563 -7.450 1.00 19.24 C ATOM 377 CG GLU A 24 -0.361 -6.467 -8.840 1.00 27.76 C ATOM 378 CD GLU A 24 -0.728 -7.621 -9.762 1.00 32.92 C ATOM 379 OE1 GLU A 24 -1.929 -7.867 -10.055 1.00 34.80 O ATOM 380 OE2 GLU A 24 0.155 -8.408 -10.197 1.00 36.51 O ATOM 0 H GLU A 24 -1.785 -6.722 -5.152 1.00 9.54 H new ATOM 0 HA GLU A 24 0.307 -5.349 -6.133 1.00 11.81 H new ATOM 0 HB2 GLU A 24 -0.664 -7.504 -7.010 1.00 19.24 H new ATOM 0 HB3 GLU A 24 -2.072 -6.637 -7.590 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -0.669 -5.530 -9.305 1.00 27.76 H new ATOM 0 HG3 GLU A 24 0.723 -6.429 -8.734 1.00 27.76 H new ATOM 387 N ASN A 25 -2.506 -3.847 -6.910 1.00 9.43 N ATOM 388 CA ASN A 25 -3.104 -2.631 -7.366 1.00 10.96 C ATOM 389 C ASN A 25 -2.552 -1.442 -6.657 1.00 9.68 C ATOM 390 O ASN A 25 -2.261 -0.406 -7.252 1.00 9.33 O ATOM 391 CB ASN A 25 -4.640 -2.687 -7.302 1.00 16.78 C ATOM 392 CG ASN A 25 -5.444 -1.435 -7.625 1.00 22.31 C ATOM 393 OD1 ASN A 25 -6.029 -0.729 -6.806 1.00 25.66 O ATOM 394 ND2 ASN A 25 -5.395 -1.044 -8.927 1.00 24.70 N ATOM 0 H ASN A 25 -3.179 -4.456 -6.445 1.00 9.43 H new ATOM 0 HA ASN A 25 -2.840 -2.519 -8.418 1.00 10.96 H new ATOM 0 HB2 ASN A 25 -4.968 -3.472 -7.983 1.00 16.78 H new ATOM 0 HB3 ASN A 25 -4.915 -3.003 -6.296 1.00 16.78 H new ATOM 0 HD21 ASN A 25 -5.841 -0.173 -9.215 1.00 24.70 H new ATOM 0 HD22 ASN A 25 -4.912 -1.622 -9.615 1.00 24.70 H new ATOM 401 N VAL A 26 -2.300 -1.551 -5.340 1.00 6.52 N ATOM 402 CA VAL A 26 -1.885 -0.438 -4.544 1.00 5.53 C ATOM 403 C VAL A 26 -0.464 -0.152 -4.890 1.00 4.42 C ATOM 404 O VAL A 26 -0.024 0.980 -5.086 1.00 3.40 O ATOM 405 CB VAL A 26 -1.848 -0.862 -3.105 1.00 3.86 C ATOM 406 CG1 VAL A 26 -1.451 0.345 -2.239 1.00 7.25 C ATOM 407 CG2 VAL A 26 -3.219 -1.295 -2.561 1.00 8.12 C ATOM 0 H VAL A 26 -2.386 -2.424 -4.820 1.00 6.52 H new ATOM 0 HA VAL A 26 -2.554 0.407 -4.709 1.00 5.53 H new ATOM 0 HB VAL A 26 -1.149 -1.697 -3.061 1.00 3.86 H new ATOM 0 HG11 VAL A 26 -1.421 0.047 -1.191 1.00 7.25 H new ATOM 0 HG12 VAL A 26 -0.467 0.703 -2.543 1.00 7.25 H new ATOM 0 HG13 VAL A 26 -2.183 1.142 -2.369 1.00 7.25 H new ATOM 0 HG21 VAL A 26 -3.120 -1.589 -1.516 1.00 8.12 H new ATOM 0 HG22 VAL A 26 -3.920 -0.464 -2.639 1.00 8.12 H new ATOM 0 HG23 VAL A 26 -3.591 -2.140 -3.141 1.00 8.12 H new ATOM 417 N LYS A 27 0.415 -1.166 -4.979 1.00 2.64 N ATOM 418 CA LYS A 27 1.803 -0.998 -5.279 1.00 4.14 C ATOM 419 C LYS A 27 2.002 -0.440 -6.646 1.00 5.58 C ATOM 420 O LYS A 27 2.987 0.251 -6.902 1.00 4.11 O ATOM 421 CB LYS A 27 2.334 -2.441 -5.307 1.00 3.97 C ATOM 422 CG LYS A 27 3.839 -2.620 -5.514 1.00 7.45 C ATOM 423 CD LYS A 27 4.348 -4.062 -5.461 1.00 9.02 C ATOM 424 CE LYS A 27 4.470 -4.682 -4.068 1.00 12.90 C ATOM 425 NZ LYS A 27 4.987 -6.055 -4.266 1.00 15.47 N ATOM 0 H LYS A 27 0.149 -2.140 -4.837 1.00 2.64 H new ATOM 0 HA LYS A 27 2.286 -0.329 -4.566 1.00 4.14 H new ATOM 0 HB2 LYS A 27 2.061 -2.921 -4.367 1.00 3.97 H new ATOM 0 HB3 LYS A 27 1.816 -2.978 -6.102 1.00 3.97 H new ATOM 0 HG2 LYS A 27 4.108 -2.194 -6.481 1.00 7.45 H new ATOM 0 HG3 LYS A 27 4.363 -2.041 -4.754 1.00 7.45 H new ATOM 0 HD2 LYS A 27 3.679 -4.684 -6.056 1.00 9.02 H new ATOM 0 HD3 LYS A 27 5.327 -4.098 -5.940 1.00 9.02 H new ATOM 0 HE2 LYS A 27 5.145 -4.099 -3.441 1.00 12.90 H new ATOM 0 HE3 LYS A 27 3.503 -4.700 -3.565 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 5.850 -6.186 -3.700 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 4.268 -6.743 -3.966 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 5.207 -6.201 -5.272 1.00 15.47 H new ATOM 439 N ALA A 28 1.111 -0.724 -7.613 1.00 6.61 N ATOM 440 CA ALA A 28 1.008 -0.166 -8.926 1.00 7.74 C ATOM 441 C ALA A 28 0.706 1.290 -9.029 1.00 9.17 C ATOM 442 O ALA A 28 1.225 1.983 -9.903 1.00 11.45 O ATOM 443 CB ALA A 28 -0.098 -0.930 -9.674 1.00 7.68 C ATOM 0 H ALA A 28 0.384 -1.422 -7.454 1.00 6.61 H new ATOM 0 HA ALA A 28 2.006 -0.272 -9.352 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -0.201 -0.527 -10.681 1.00 7.68 H new ATOM 0 HB2 ALA A 28 0.164 -1.986 -9.731 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -1.042 -0.819 -9.140 1.00 7.68 H new ATOM 449 N LYS A 29 -0.170 1.714 -8.101 1.00 8.96 N ATOM 450 CA LYS A 29 -0.435 3.117 -8.024 1.00 7.90 C ATOM 451 C LYS A 29 0.637 3.991 -7.469 1.00 6.92 C ATOM 452 O LYS A 29 0.686 5.179 -7.783 1.00 6.87 O ATOM 453 CB LYS A 29 -1.696 3.539 -7.251 1.00 10.28 C ATOM 454 CG LYS A 29 -3.035 3.077 -7.827 1.00 14.94 C ATOM 455 CD LYS A 29 -4.115 3.088 -6.743 1.00 19.69 C ATOM 456 CE LYS A 29 -5.433 2.574 -7.326 1.00 22.63 C ATOM 457 NZ LYS A 29 -6.190 3.550 -8.141 1.00 24.98 N ATOM 0 H LYS A 29 -0.671 1.124 -7.437 1.00 8.96 H new ATOM 0 HA LYS A 29 -0.546 3.274 -9.097 1.00 7.90 H new ATOM 0 HB2 LYS A 29 -1.614 3.161 -6.232 1.00 10.28 H new ATOM 0 HB3 LYS A 29 -1.709 4.627 -7.187 1.00 10.28 H new ATOM 0 HG2 LYS A 29 -3.329 3.730 -8.649 1.00 14.94 H new ATOM 0 HG3 LYS A 29 -2.934 2.073 -8.238 1.00 14.94 H new ATOM 0 HD2 LYS A 29 -3.809 2.463 -5.904 1.00 19.69 H new ATOM 0 HD3 LYS A 29 -4.246 4.099 -6.357 1.00 19.69 H new ATOM 0 HE2 LYS A 29 -5.222 1.699 -7.941 1.00 22.63 H new ATOM 0 HE3 LYS A 29 -6.068 2.241 -6.505 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 -6.680 3.053 -8.912 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 -6.888 4.035 -7.542 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 -5.534 4.250 -8.543 1.00 24.98 H new ATOM 471 N ILE A 30 1.589 3.468 -6.676 1.00 4.57 N ATOM 472 CA ILE A 30 2.846 4.033 -6.297 1.00 5.58 C ATOM 473 C ILE A 30 3.877 3.998 -7.372 1.00 7.26 C ATOM 474 O ILE A 30 4.700 4.868 -7.653 1.00 9.46 O ATOM 475 CB ILE A 30 3.327 3.399 -5.025 1.00 5.36 C ATOM 476 CG1 ILE A 30 2.214 3.254 -3.974 1.00 2.94 C ATOM 477 CG2 ILE A 30 4.574 4.147 -4.524 1.00 2.78 C ATOM 478 CD1 ILE A 30 2.666 2.858 -2.569 1.00 2.00 C ATOM 0 H ILE A 30 1.460 2.547 -6.256 1.00 4.57 H new ATOM 0 HA ILE A 30 2.678 5.096 -6.122 1.00 5.58 H new ATOM 0 HB ILE A 30 3.622 2.370 -5.229 1.00 5.36 H new ATOM 0 HG12 ILE A 30 1.678 4.201 -3.908 1.00 2.94 H new ATOM 0 HG13 ILE A 30 1.502 2.509 -4.328 1.00 2.94 H new ATOM 0 HG21 ILE A 30 4.926 3.689 -3.600 1.00 2.78 H new ATOM 0 HG22 ILE A 30 5.359 4.092 -5.278 1.00 2.78 H new ATOM 0 HG23 ILE A 30 4.322 5.191 -4.338 1.00 2.78 H new ATOM 0 HD11 ILE A 30 1.798 2.786 -1.914 1.00 2.00 H new ATOM 0 HD12 ILE A 30 3.172 1.893 -2.608 1.00 2.00 H new ATOM 0 HD13 ILE A 30 3.351 3.612 -2.181 1.00 2.00 H new ATOM 490 N GLN A 31 3.801 2.971 -8.237 1.00 7.06 N ATOM 491 CA GLN A 31 4.528 2.880 -9.466 1.00 8.67 C ATOM 492 C GLN A 31 4.152 3.967 -10.413 1.00 10.90 C ATOM 493 O GLN A 31 4.976 4.706 -10.950 1.00 9.63 O ATOM 494 CB GLN A 31 4.404 1.469 -10.064 1.00 9.12 C ATOM 495 CG GLN A 31 5.502 1.131 -11.074 1.00 10.76 C ATOM 496 CD GLN A 31 5.201 -0.177 -11.792 1.00 13.78 C ATOM 497 OE1 GLN A 31 4.169 -0.810 -11.577 1.00 14.48 O ATOM 498 NE2 GLN A 31 6.166 -0.554 -12.672 1.00 14.76 N ATOM 0 H GLN A 31 3.202 2.163 -8.071 1.00 7.06 H new ATOM 0 HA GLN A 31 5.586 3.037 -9.258 1.00 8.67 H new ATOM 0 HB2 GLN A 31 4.428 0.738 -9.256 1.00 9.12 H new ATOM 0 HB3 GLN A 31 3.433 1.374 -10.551 1.00 9.12 H new ATOM 0 HG2 GLN A 31 5.591 1.937 -11.802 1.00 10.76 H new ATOM 0 HG3 GLN A 31 6.461 1.056 -10.562 1.00 10.76 H new ATOM 0 HE21 GLN A 31 6.997 0.025 -12.797 1.00 14.76 H new ATOM 0 HE22 GLN A 31 6.059 -1.415 -13.208 1.00 14.76 H new ATOM 507 N ASP A 32 2.836 4.179 -10.586 1.00 10.93 N ATOM 508 CA ASP A 32 2.296 5.073 -11.563 1.00 14.01 C ATOM 509 C ASP A 32 2.422 6.495 -11.137 1.00 14.04 C ATOM 510 O ASP A 32 2.818 7.383 -11.890 1.00 13.39 O ATOM 511 CB ASP A 32 0.830 4.642 -11.741 1.00 18.01 C ATOM 512 CG ASP A 32 0.102 5.232 -12.941 1.00 24.33 C ATOM 513 OD1 ASP A 32 0.395 4.750 -14.068 1.00 25.17 O ATOM 514 OD2 ASP A 32 -0.827 6.067 -12.777 1.00 26.29 O ATOM 0 H ASP A 32 2.122 3.712 -10.026 1.00 10.93 H new ATOM 0 HA ASP A 32 2.839 5.019 -12.507 1.00 14.01 H new ATOM 0 HB2 ASP A 32 0.799 3.555 -11.820 1.00 18.01 H new ATOM 0 HB3 ASP A 32 0.281 4.912 -10.839 1.00 18.01 H new ATOM 519 N LYS A 33 2.033 6.743 -9.873 1.00 14.22 N ATOM 520 CA LYS A 33 2.023 8.073 -9.348 1.00 14.00 C ATOM 521 C LYS A 33 3.394 8.577 -9.054 1.00 12.37 C ATOM 522 O LYS A 33 3.900 9.328 -9.887 1.00 12.17 O ATOM 523 CB LYS A 33 1.072 8.218 -8.148 1.00 18.62 C ATOM 524 CG LYS A 33 0.733 9.625 -7.651 1.00 24.00 C ATOM 525 CD LYS A 33 -0.125 10.498 -8.568 1.00 27.61 C ATOM 526 CE LYS A 33 0.086 11.995 -8.330 1.00 27.64 C ATOM 527 NZ LYS A 33 -0.802 12.746 -9.245 1.00 30.06 N ATOM 0 H LYS A 33 1.726 6.025 -9.217 1.00 14.22 H new ATOM 0 HA LYS A 33 1.625 8.714 -10.135 1.00 14.00 H new ATOM 0 HB2 LYS A 33 0.136 7.723 -8.405 1.00 18.62 H new ATOM 0 HB3 LYS A 33 1.505 7.667 -7.313 1.00 18.62 H new ATOM 0 HG2 LYS A 33 0.219 9.532 -6.694 1.00 24.00 H new ATOM 0 HG3 LYS A 33 1.668 10.151 -7.460 1.00 24.00 H new ATOM 0 HD2 LYS A 33 0.107 10.264 -9.607 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -1.176 10.255 -8.414 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -0.136 12.249 -7.294 1.00 27.64 H new ATOM 0 HE3 LYS A 33 1.127 12.264 -8.508 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 -0.671 13.767 -9.096 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -0.568 12.507 -10.230 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -1.792 12.493 -9.053 1.00 30.06 H new ATOM 541 N GLU A 34 4.032 8.151 -7.949 1.00 10.11 N ATOM 542 CA GLU A 34 5.153 8.716 -7.263 1.00 10.07 C ATOM 543 C GLU A 34 6.390 8.320 -7.993 1.00 9.32 C ATOM 544 O GLU A 34 7.292 9.130 -8.199 1.00 11.61 O ATOM 545 CB GLU A 34 5.223 8.023 -5.891 1.00 14.77 C ATOM 546 CG GLU A 34 6.436 8.410 -5.043 1.00 18.75 C ATOM 547 CD GLU A 34 6.717 9.866 -4.698 1.00 22.28 C ATOM 548 OE1 GLU A 34 5.869 10.752 -4.987 1.00 25.19 O ATOM 549 OE2 GLU A 34 7.770 10.190 -4.085 1.00 21.95 O ATOM 0 H GLU A 34 3.718 7.301 -7.480 1.00 10.11 H new ATOM 0 HA GLU A 34 5.063 9.800 -7.187 1.00 10.07 H new ATOM 0 HB2 GLU A 34 4.316 8.258 -5.333 1.00 14.77 H new ATOM 0 HB3 GLU A 34 5.232 6.944 -6.044 1.00 14.77 H new ATOM 0 HG2 GLU A 34 6.353 7.869 -4.101 1.00 18.75 H new ATOM 0 HG3 GLU A 34 7.319 8.027 -5.554 1.00 18.75 H new ATOM 556 N GLY A 35 6.407 7.070 -8.489 1.00 7.22 N ATOM 557 CA GLY A 35 7.591 6.590 -9.129 1.00 6.29 C ATOM 558 C GLY A 35 8.532 5.972 -8.153 1.00 6.93 C ATOM 559 O GLY A 35 9.726 6.257 -8.075 1.00 7.41 O ATOM 0 H GLY A 35 5.629 6.411 -8.450 1.00 7.22 H new ATOM 0 HA2 GLY A 35 7.322 5.857 -9.890 1.00 6.29 H new ATOM 0 HA3 GLY A 35 8.087 7.414 -9.642 1.00 6.29 H new ATOM 563 N ILE A 36 8.120 5.033 -7.282 1.00 5.86 N ATOM 564 CA ILE A 36 8.980 4.177 -6.526 1.00 6.07 C ATOM 565 C ILE A 36 9.023 2.828 -7.157 1.00 6.36 C ATOM 566 O ILE A 36 7.967 2.211 -7.290 1.00 6.18 O ATOM 567 CB ILE A 36 8.533 4.127 -5.095 1.00 7.47 C ATOM 568 CG1 ILE A 36 8.615 5.552 -4.521 1.00 8.52 C ATOM 569 CG2 ILE A 36 9.659 3.371 -4.370 1.00 7.36 C ATOM 570 CD1 ILE A 36 8.544 5.616 -2.996 1.00 9.49 C ATOM 0 H ILE A 36 7.132 4.862 -7.096 1.00 5.86 H new ATOM 0 HA ILE A 36 9.995 4.573 -6.528 1.00 6.07 H new ATOM 0 HB ILE A 36 7.537 3.697 -4.994 1.00 7.47 H new ATOM 0 HG12 ILE A 36 9.547 6.012 -4.850 1.00 8.52 H new ATOM 0 HG13 ILE A 36 7.802 6.147 -4.937 1.00 8.52 H new ATOM 0 HG21 ILE A 36 9.417 3.286 -3.311 1.00 7.36 H new ATOM 0 HG22 ILE A 36 9.763 2.375 -4.799 1.00 7.36 H new ATOM 0 HG23 ILE A 36 10.596 3.916 -4.485 1.00 7.36 H new ATOM 0 HD11 ILE A 36 8.609 6.655 -2.672 1.00 9.49 H new ATOM 0 HD12 ILE A 36 7.600 5.188 -2.657 1.00 9.49 H new ATOM 0 HD13 ILE A 36 9.372 5.051 -2.569 1.00 9.49 H new ATOM 582 N PRO A 37 10.072 2.217 -7.621 1.00 8.65 N ATOM 583 CA PRO A 37 9.909 0.969 -8.309 1.00 9.18 C ATOM 584 C PRO A 37 9.457 -0.161 -7.449 1.00 9.85 C ATOM 585 O PRO A 37 9.706 -0.005 -6.255 1.00 8.51 O ATOM 586 CB PRO A 37 11.341 0.703 -8.765 1.00 11.42 C ATOM 587 CG PRO A 37 12.156 1.999 -8.623 1.00 9.27 C ATOM 588 CD PRO A 37 11.452 2.627 -7.410 1.00 8.33 C ATOM 0 HA PRO A 37 9.144 1.033 -9.083 1.00 9.18 H new ATOM 0 HB2 PRO A 37 11.787 -0.091 -8.165 1.00 11.42 H new ATOM 0 HB3 PRO A 37 11.350 0.363 -9.801 1.00 11.42 H new ATOM 0 HG2 PRO A 37 13.213 1.808 -8.438 1.00 9.27 H new ATOM 0 HG3 PRO A 37 12.096 2.628 -9.511 1.00 9.27 H new ATOM 0 HD2 PRO A 37 11.850 2.252 -6.467 1.00 8.33 H new ATOM 0 HD3 PRO A 37 11.558 3.712 -7.392 1.00 8.33 H new ATOM 596 N PRO A 38 8.872 -1.269 -7.795 1.00 8.71 N ATOM 597 CA PRO A 38 8.087 -2.037 -6.873 1.00 9.08 C ATOM 598 C PRO A 38 8.935 -3.019 -6.139 1.00 9.28 C ATOM 599 O PRO A 38 8.417 -3.676 -5.238 1.00 6.50 O ATOM 600 CB PRO A 38 7.170 -2.756 -7.860 1.00 10.31 C ATOM 601 CG PRO A 38 7.865 -2.813 -9.230 1.00 10.81 C ATOM 602 CD PRO A 38 8.514 -1.420 -9.197 1.00 12.00 C ATOM 0 HA PRO A 38 7.585 -1.459 -6.097 1.00 9.08 H new ATOM 0 HB2 PRO A 38 6.950 -3.763 -7.506 1.00 10.31 H new ATOM 0 HB3 PRO A 38 6.218 -2.232 -7.941 1.00 10.31 H new ATOM 0 HG2 PRO A 38 8.594 -3.620 -9.304 1.00 10.81 H new ATOM 0 HG3 PRO A 38 7.166 -2.937 -10.057 1.00 10.81 H new ATOM 0 HD2 PRO A 38 9.388 -1.364 -9.847 1.00 12.00 H new ATOM 0 HD3 PRO A 38 7.823 -0.643 -9.525 1.00 12.00 H new ATOM 610 N ASP A 39 10.212 -3.163 -6.536 1.00 11.20 N ATOM 611 CA ASP A 39 11.246 -3.961 -5.954 1.00 14.96 C ATOM 612 C ASP A 39 11.616 -3.307 -4.667 1.00 13.99 C ATOM 613 O ASP A 39 12.014 -3.900 -3.666 1.00 13.75 O ATOM 614 CB ASP A 39 12.387 -4.246 -6.944 1.00 24.16 C ATOM 615 CG ASP A 39 12.862 -2.979 -7.641 1.00 31.06 C ATOM 616 OD1 ASP A 39 12.279 -2.543 -8.669 1.00 34.22 O ATOM 617 OD2 ASP A 39 14.024 -2.592 -7.341 1.00 35.55 O ATOM 0 H ASP A 39 10.554 -2.663 -7.357 1.00 11.20 H new ATOM 0 HA ASP A 39 10.913 -4.972 -5.720 1.00 14.96 H new ATOM 0 HB2 ASP A 39 13.222 -4.704 -6.414 1.00 24.16 H new ATOM 0 HB3 ASP A 39 12.050 -4.966 -7.690 1.00 24.16 H new ATOM 622 N GLN A 40 11.520 -1.967 -4.610 1.00 11.60 N ATOM 623 CA GLN A 40 11.813 -1.256 -3.404 1.00 10.76 C ATOM 624 C GLN A 40 10.642 -1.108 -2.495 1.00 8.01 C ATOM 625 O GLN A 40 10.824 -0.762 -1.329 1.00 8.96 O ATOM 626 CB GLN A 40 12.257 0.175 -3.750 1.00 11.14 C ATOM 627 CG GLN A 40 13.658 0.276 -4.355 1.00 14.85 C ATOM 628 CD GLN A 40 13.938 1.717 -4.758 1.00 16.11 C ATOM 629 OE1 GLN A 40 14.337 2.078 -5.864 1.00 20.52 O ATOM 630 NE2 GLN A 40 13.882 2.566 -3.698 1.00 18.16 N ATOM 0 H GLN A 40 11.241 -1.378 -5.395 1.00 11.60 H new ATOM 0 HA GLN A 40 12.583 -1.841 -2.901 1.00 10.76 H new ATOM 0 HB2 GLN A 40 11.541 0.605 -4.450 1.00 11.14 H new ATOM 0 HB3 GLN A 40 12.221 0.782 -2.845 1.00 11.14 H new ATOM 0 HG2 GLN A 40 14.402 -0.061 -3.633 1.00 14.85 H new ATOM 0 HG3 GLN A 40 13.738 -0.377 -5.224 1.00 14.85 H new ATOM 0 HE21 GLN A 40 13.546 2.232 -2.795 1.00 18.16 H new ATOM 0 HE22 GLN A 40 14.176 3.537 -3.806 1.00 18.16 H new ATOM 639 N GLN A 41 9.421 -1.414 -2.967 1.00 6.52 N ATOM 640 CA GLN A 41 8.168 -1.418 -2.278 1.00 3.87 C ATOM 641 C GLN A 41 7.914 -2.692 -1.548 1.00 4.79 C ATOM 642 O GLN A 41 7.719 -3.747 -2.148 1.00 6.34 O ATOM 643 CB GLN A 41 6.945 -1.131 -3.166 1.00 4.20 C ATOM 644 CG GLN A 41 7.053 0.210 -3.895 1.00 3.20 C ATOM 645 CD GLN A 41 5.706 0.560 -4.510 1.00 4.89 C ATOM 646 OE1 GLN A 41 4.638 0.488 -3.903 1.00 5.21 O ATOM 647 NE2 GLN A 41 5.759 1.018 -5.790 1.00 7.13 N ATOM 0 H GLN A 41 9.302 -1.689 -3.942 1.00 6.52 H new ATOM 0 HA GLN A 41 8.278 -0.594 -1.573 1.00 3.87 H new ATOM 0 HB2 GLN A 41 6.836 -1.931 -3.898 1.00 4.20 H new ATOM 0 HB3 GLN A 41 6.045 -1.136 -2.552 1.00 4.20 H new ATOM 0 HG2 GLN A 41 7.362 0.991 -3.200 1.00 3.20 H new ATOM 0 HG3 GLN A 41 7.816 0.154 -4.671 1.00 3.20 H new ATOM 0 HE21 GLN A 41 6.654 1.070 -6.276 1.00 7.13 H new ATOM 0 HE22 GLN A 41 4.904 1.309 -6.263 1.00 7.13 H new ATOM 656 N ARG A 42 7.690 -2.641 -0.223 1.00 5.73 N ATOM 657 CA ARG A 42 6.950 -3.583 0.557 1.00 6.97 C ATOM 658 C ARG A 42 5.993 -2.761 1.349 1.00 7.15 C ATOM 659 O ARG A 42 6.261 -1.666 1.841 1.00 7.33 O ATOM 660 CB ARG A 42 7.861 -4.544 1.339 1.00 13.23 C ATOM 661 CG ARG A 42 7.190 -5.444 2.379 1.00 21.27 C ATOM 662 CD ARG A 42 8.104 -6.432 3.105 1.00 26.14 C ATOM 663 NE ARG A 42 7.927 -7.698 2.338 1.00 32.26 N ATOM 664 CZ ARG A 42 8.845 -8.602 1.887 1.00 34.32 C ATOM 665 NH1 ARG A 42 10.177 -8.408 2.113 1.00 35.30 N ATOM 666 NH2 ARG A 42 8.544 -9.751 1.215 1.00 36.39 N ATOM 0 H ARG A 42 8.057 -1.879 0.347 1.00 5.73 H new ATOM 0 HA ARG A 42 6.382 -4.294 -0.043 1.00 6.97 H new ATOM 0 HB2 ARG A 42 8.377 -5.182 0.621 1.00 13.23 H new ATOM 0 HB3 ARG A 42 8.624 -3.952 1.845 1.00 13.23 H new ATOM 0 HG2 ARG A 42 6.711 -4.809 3.124 1.00 21.27 H new ATOM 0 HG3 ARG A 42 6.399 -6.008 1.885 1.00 21.27 H new ATOM 0 HD2 ARG A 42 9.142 -6.099 3.096 1.00 26.14 H new ATOM 0 HD3 ARG A 42 7.816 -6.552 4.149 1.00 26.14 H new ATOM 0 HE ARG A 42 6.959 -7.927 2.113 1.00 32.26 H new ATOM 0 HH11 ARG A 42 10.493 -7.583 2.622 1.00 35.30 H new ATOM 0 HH12 ARG A 42 10.856 -9.088 1.773 1.00 35.30 H new ATOM 0 HH21 ARG A 42 7.571 -9.986 1.016 1.00 36.39 H new ATOM 0 HH22 ARG A 42 9.292 -10.375 0.911 1.00 36.39 H new ATOM 680 N LEU A 43 4.807 -3.346 1.596 1.00 4.65 N ATOM 681 CA LEU A 43 3.706 -2.677 2.218 1.00 3.51 C ATOM 682 C LEU A 43 3.441 -3.353 3.519 1.00 5.56 C ATOM 683 O LEU A 43 3.183 -4.552 3.614 1.00 4.19 O ATOM 684 CB LEU A 43 2.449 -2.480 1.355 1.00 3.74 C ATOM 685 CG LEU A 43 2.545 -1.618 0.085 1.00 6.32 C ATOM 686 CD1 LEU A 43 3.192 -2.130 -1.213 1.00 6.41 C ATOM 687 CD2 LEU A 43 1.138 -1.121 -0.285 1.00 9.55 C ATOM 0 H LEU A 43 4.608 -4.317 1.355 1.00 4.65 H new ATOM 0 HA LEU A 43 4.001 -1.640 2.379 1.00 3.51 H new ATOM 0 HB2 LEU A 43 2.096 -3.467 1.057 1.00 3.74 H new ATOM 0 HB3 LEU A 43 1.678 -2.045 1.991 1.00 3.74 H new ATOM 0 HG LEU A 43 3.269 -0.876 0.422 1.00 6.32 H new ATOM 0 HD11 LEU A 43 3.146 -1.351 -1.974 1.00 6.41 H new ATOM 0 HD12 LEU A 43 4.233 -2.390 -1.022 1.00 6.41 H new ATOM 0 HD13 LEU A 43 2.656 -3.012 -1.564 1.00 6.41 H new ATOM 0 HD21 LEU A 43 1.194 -0.508 -1.185 1.00 9.55 H new ATOM 0 HD22 LEU A 43 0.487 -1.976 -0.468 1.00 9.55 H new ATOM 0 HD23 LEU A 43 0.735 -0.526 0.535 1.00 9.55 H new ATOM 699 N ILE A 44 3.502 -2.575 4.615 1.00 4.58 N ATOM 700 CA ILE A 44 3.306 -2.951 5.981 1.00 5.55 C ATOM 701 C ILE A 44 2.043 -2.390 6.536 1.00 5.46 C ATOM 702 O ILE A 44 1.822 -1.181 6.521 1.00 6.04 O ATOM 703 CB ILE A 44 4.473 -2.593 6.853 1.00 6.80 C ATOM 704 CG1 ILE A 44 5.841 -2.886 6.215 1.00 10.31 C ATOM 705 CG2 ILE A 44 4.267 -3.244 8.231 1.00 7.39 C ATOM 706 CD1 ILE A 44 6.271 -4.343 6.045 1.00 13.90 C ATOM 0 H ILE A 44 3.710 -1.580 4.532 1.00 4.58 H new ATOM 0 HA ILE A 44 3.223 -4.038 5.982 1.00 5.55 H new ATOM 0 HB ILE A 44 4.501 -1.511 6.980 1.00 6.80 H new ATOM 0 HG12 ILE A 44 5.854 -2.420 5.230 1.00 10.31 H new ATOM 0 HG13 ILE A 44 6.600 -2.384 6.815 1.00 10.31 H new ATOM 0 HG21 ILE A 44 5.106 -2.995 8.880 1.00 7.39 H new ATOM 0 HG22 ILE A 44 3.343 -2.873 8.674 1.00 7.39 H new ATOM 0 HG23 ILE A 44 4.205 -4.326 8.117 1.00 7.39 H new ATOM 0 HD11 ILE A 44 7.257 -4.380 5.581 1.00 13.90 H new ATOM 0 HD12 ILE A 44 6.311 -4.827 7.021 1.00 13.90 H new ATOM 0 HD13 ILE A 44 5.552 -4.863 5.411 1.00 13.90 H new ATOM 718 N PHE A 45 1.139 -3.112 7.222 1.00 6.75 N ATOM 719 CA PHE A 45 -0.058 -2.639 7.847 1.00 4.70 C ATOM 720 C PHE A 45 0.064 -3.116 9.253 1.00 6.34 C ATOM 721 O PHE A 45 0.215 -4.304 9.535 1.00 5.45 O ATOM 722 CB PHE A 45 -1.347 -3.137 7.173 1.00 5.51 C ATOM 723 CG PHE A 45 -2.542 -2.619 7.897 1.00 5.98 C ATOM 724 CD1 PHE A 45 -2.972 -1.313 7.896 1.00 6.86 C ATOM 725 CD2 PHE A 45 -3.315 -3.498 8.619 1.00 5.87 C ATOM 726 CE1 PHE A 45 -4.020 -0.907 8.687 1.00 6.68 C ATOM 727 CE2 PHE A 45 -4.318 -3.081 9.462 1.00 6.64 C ATOM 728 CZ PHE A 45 -4.701 -1.761 9.522 1.00 6.84 C ATOM 0 H PHE A 45 1.258 -4.117 7.350 1.00 6.75 H new ATOM 0 HA PHE A 45 -0.147 -1.555 7.771 1.00 4.70 H new ATOM 0 HB2 PHE A 45 -1.372 -2.809 6.134 1.00 5.51 H new ATOM 0 HB3 PHE A 45 -1.363 -4.227 7.164 1.00 5.51 H new ATOM 0 HD1 PHE A 45 -2.477 -0.593 7.262 1.00 6.86 H new ATOM 0 HD2 PHE A 45 -3.127 -4.557 8.520 1.00 5.87 H new ATOM 0 HE1 PHE A 45 -4.322 0.129 8.651 1.00 6.68 H new ATOM 0 HE2 PHE A 45 -4.816 -3.805 10.090 1.00 6.64 H new ATOM 0 HZ PHE A 45 -5.485 -1.418 10.181 1.00 6.84 H new ATOM 738 N ALA A 46 0.089 -2.128 10.166 1.00 6.53 N ATOM 739 CA ALA A 46 0.507 -2.321 11.520 1.00 7.15 C ATOM 740 C ALA A 46 1.938 -2.676 11.729 1.00 9.00 C ATOM 741 O ALA A 46 2.839 -1.885 11.455 1.00 11.15 O ATOM 742 CB ALA A 46 -0.598 -3.098 12.256 1.00 8.99 C ATOM 0 H ALA A 46 -0.189 -1.169 9.957 1.00 6.53 H new ATOM 0 HA ALA A 46 0.585 -1.364 12.036 1.00 7.15 H new ATOM 0 HB1 ALA A 46 -0.302 -3.258 13.293 1.00 8.99 H new ATOM 0 HB2 ALA A 46 -1.525 -2.526 12.228 1.00 8.99 H new ATOM 0 HB3 ALA A 46 -0.751 -4.061 11.770 1.00 8.99 H new ATOM 748 N GLY A 47 2.163 -3.990 11.911 1.00 9.35 N ATOM 749 CA GLY A 47 3.396 -4.628 12.253 1.00 11.68 C ATOM 750 C GLY A 47 3.598 -5.834 11.401 1.00 11.14 C ATOM 751 O GLY A 47 4.448 -6.685 11.657 1.00 13.93 O ATOM 0 H GLY A 47 1.408 -4.668 11.808 1.00 9.35 H new ATOM 0 HA2 GLY A 47 4.225 -3.933 12.117 1.00 11.68 H new ATOM 0 HA3 GLY A 47 3.388 -4.913 13.305 1.00 11.68 H new ATOM 755 N LYS A 48 2.823 -5.987 10.313 1.00 10.47 N ATOM 756 CA LYS A 48 2.900 -7.134 9.461 1.00 8.82 C ATOM 757 C LYS A 48 2.974 -6.782 8.015 1.00 7.68 C ATOM 758 O LYS A 48 2.447 -5.758 7.584 1.00 6.47 O ATOM 759 CB LYS A 48 1.703 -8.062 9.726 1.00 9.74 C ATOM 760 CG LYS A 48 0.364 -7.344 9.899 1.00 14.14 C ATOM 761 CD LYS A 48 -0.821 -8.294 10.082 1.00 16.32 C ATOM 762 CE LYS A 48 -2.136 -7.521 10.202 1.00 20.04 C ATOM 763 NZ LYS A 48 -3.388 -8.303 10.092 1.00 23.92 N ATOM 0 H LYS A 48 2.129 -5.300 10.018 1.00 10.47 H new ATOM 0 HA LYS A 48 3.830 -7.650 9.702 1.00 8.82 H new ATOM 0 HB2 LYS A 48 1.617 -8.767 8.899 1.00 9.74 H new ATOM 0 HB3 LYS A 48 1.905 -8.646 10.624 1.00 9.74 H new ATOM 0 HG2 LYS A 48 0.425 -6.682 10.763 1.00 14.14 H new ATOM 0 HG3 LYS A 48 0.183 -6.715 9.027 1.00 14.14 H new ATOM 0 HD2 LYS A 48 -0.875 -8.980 9.236 1.00 16.32 H new ATOM 0 HD3 LYS A 48 -0.670 -8.901 10.975 1.00 16.32 H new ATOM 0 HE2 LYS A 48 -2.141 -7.008 11.164 1.00 20.04 H new ATOM 0 HE3 LYS A 48 -2.148 -6.752 9.430 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 -4.205 -7.666 10.190 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 -3.424 -8.772 9.165 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 -3.416 -9.020 10.844 1.00 23.92 H new ATOM 777 N GLN A 49 3.680 -7.579 7.193 1.00 8.89 N ATOM 778 CA GLN A 49 3.821 -7.335 5.791 1.00 7.18 C ATOM 779 C GLN A 49 2.673 -7.918 5.041 1.00 8.23 C ATOM 780 O GLN A 49 2.109 -8.976 5.315 1.00 9.70 O ATOM 781 CB GLN A 49 5.146 -7.985 5.358 1.00 11.67 C ATOM 782 CG GLN A 49 5.418 -9.461 5.658 1.00 15.82 C ATOM 783 CD GLN A 49 6.791 -9.868 5.142 1.00 20.21 C ATOM 784 OE1 GLN A 49 7.755 -9.131 5.342 1.00 23.23 O ATOM 785 NE2 GLN A 49 6.869 -10.997 4.387 1.00 20.67 N ATOM 0 H GLN A 49 4.166 -8.417 7.512 1.00 8.89 H new ATOM 0 HA GLN A 49 3.829 -6.266 5.579 1.00 7.18 H new ATOM 0 HB2 GLN A 49 5.232 -7.854 4.279 1.00 11.67 H new ATOM 0 HB3 GLN A 49 5.952 -7.410 5.814 1.00 11.67 H new ATOM 0 HG2 GLN A 49 5.361 -9.636 6.732 1.00 15.82 H new ATOM 0 HG3 GLN A 49 4.651 -10.080 5.193 1.00 15.82 H new ATOM 0 HE21 GLN A 49 6.041 -11.577 4.250 1.00 20.67 H new ATOM 0 HE22 GLN A 49 7.755 -11.264 3.958 1.00 20.67 H new ATOM 794 N LEU A 50 2.280 -7.242 3.948 1.00 6.51 N ATOM 795 CA LEU A 50 1.229 -7.647 3.067 1.00 7.41 C ATOM 796 C LEU A 50 1.766 -8.436 1.923 1.00 8.27 C ATOM 797 O LEU A 50 2.869 -8.208 1.428 1.00 8.34 O ATOM 798 CB LEU A 50 0.579 -6.364 2.522 1.00 7.13 C ATOM 799 CG LEU A 50 -0.086 -5.444 3.560 1.00 7.53 C ATOM 800 CD1 LEU A 50 -0.519 -4.154 2.844 1.00 9.11 C ATOM 801 CD2 LEU A 50 -1.261 -6.045 4.351 1.00 8.14 C ATOM 0 H LEU A 50 2.719 -6.366 3.664 1.00 6.51 H new ATOM 0 HA LEU A 50 0.515 -8.271 3.604 1.00 7.41 H new ATOM 0 HB2 LEU A 50 1.342 -5.791 1.996 1.00 7.13 H new ATOM 0 HB3 LEU A 50 -0.172 -6.647 1.785 1.00 7.13 H new ATOM 0 HG LEU A 50 0.665 -5.260 4.328 1.00 7.53 H new ATOM 0 HD11 LEU A 50 -0.994 -3.483 3.559 1.00 9.11 H new ATOM 0 HD12 LEU A 50 0.355 -3.666 2.414 1.00 9.11 H new ATOM 0 HD13 LEU A 50 -1.225 -4.398 2.050 1.00 9.11 H new ATOM 0 HD21 LEU A 50 -1.646 -5.303 5.050 1.00 8.14 H new ATOM 0 HD22 LEU A 50 -2.052 -6.338 3.661 1.00 8.14 H new ATOM 0 HD23 LEU A 50 -0.918 -6.920 4.903 1.00 8.14 H new ATOM 813 N GLU A 51 0.949 -9.384 1.430 1.00 9.43 N ATOM 814 CA GLU A 51 1.196 -10.214 0.292 1.00 11.90 C ATOM 815 C GLU A 51 0.886 -9.470 -0.962 1.00 11.49 C ATOM 816 O GLU A 51 0.609 -8.272 -0.932 1.00 9.88 O ATOM 817 CB GLU A 51 0.634 -11.639 0.427 1.00 16.56 C ATOM 818 CG GLU A 51 -0.871 -11.829 0.228 1.00 26.06 C ATOM 819 CD GLU A 51 -1.398 -13.251 0.350 1.00 29.86 C ATOM 820 OE1 GLU A 51 -1.510 -13.776 1.490 1.00 33.44 O ATOM 821 OE2 GLU A 51 -1.690 -13.920 -0.677 1.00 32.13 O ATOM 0 H GLU A 51 0.047 -9.584 1.861 1.00 9.43 H new ATOM 0 HA GLU A 51 2.262 -10.432 0.231 1.00 11.90 H new ATOM 0 HB2 GLU A 51 1.151 -12.273 -0.293 1.00 16.56 H new ATOM 0 HB3 GLU A 51 0.891 -12.009 1.420 1.00 16.56 H new ATOM 0 HG2 GLU A 51 -1.392 -11.208 0.957 1.00 26.06 H new ATOM 0 HG3 GLU A 51 -1.135 -11.451 -0.760 1.00 26.06 H new ATOM 828 N ASP A 52 0.832 -10.127 -2.134 1.00 12.71 N ATOM 829 CA ASP A 52 0.419 -9.350 -3.261 1.00 16.56 C ATOM 830 C ASP A 52 -0.971 -9.652 -3.704 1.00 15.83 C ATOM 831 O ASP A 52 -1.900 -8.855 -3.829 1.00 17.21 O ATOM 832 CB ASP A 52 1.345 -9.594 -4.464 1.00 21.05 C ATOM 833 CG ASP A 52 2.739 -9.086 -4.122 1.00 25.12 C ATOM 834 OD1 ASP A 52 3.522 -9.902 -3.568 1.00 28.37 O ATOM 835 OD2 ASP A 52 3.084 -7.916 -4.439 1.00 25.82 O ATOM 0 H ASP A 52 1.052 -11.109 -2.299 1.00 12.71 H new ATOM 0 HA ASP A 52 0.467 -8.314 -2.927 1.00 16.56 H new ATOM 0 HB2 ASP A 52 1.379 -10.657 -4.704 1.00 21.05 H new ATOM 0 HB3 ASP A 52 0.962 -9.080 -5.345 1.00 21.05 H new ATOM 840 N GLY A 53 -1.302 -10.949 -3.836 1.00 15.00 N ATOM 841 CA GLY A 53 -2.575 -11.271 -4.403 1.00 11.77 C ATOM 842 C GLY A 53 -3.647 -11.579 -3.415 1.00 11.10 C ATOM 843 O GLY A 53 -4.291 -12.620 -3.528 1.00 11.25 O ATOM 0 H GLY A 53 -0.720 -11.742 -3.565 1.00 15.00 H new ATOM 0 HA2 GLY A 53 -2.902 -10.435 -5.022 1.00 11.77 H new ATOM 0 HA3 GLY A 53 -2.454 -12.129 -5.064 1.00 11.77 H new ATOM 847 N ARG A 54 -3.986 -10.632 -2.522 1.00 8.53 N ATOM 848 CA ARG A 54 -4.995 -10.781 -1.520 1.00 9.05 C ATOM 849 C ARG A 54 -5.745 -9.496 -1.449 1.00 8.96 C ATOM 850 O ARG A 54 -5.163 -8.437 -1.680 1.00 11.60 O ATOM 851 CB ARG A 54 -4.448 -11.216 -0.150 1.00 7.97 C ATOM 852 CG ARG A 54 -5.531 -11.492 0.895 1.00 9.62 C ATOM 853 CD ARG A 54 -5.018 -12.230 2.133 1.00 12.20 C ATOM 854 NE ARG A 54 -6.212 -12.511 2.979 1.00 18.23 N ATOM 855 CZ ARG A 54 -6.375 -12.630 4.329 1.00 22.08 C ATOM 856 NH1 ARG A 54 -5.267 -12.509 5.116 1.00 23.38 N ATOM 857 NH2 ARG A 54 -7.573 -12.903 4.924 1.00 25.50 N ATOM 0 H ARG A 54 -3.534 -9.718 -2.498 1.00 8.53 H new ATOM 0 HA ARG A 54 -5.660 -11.597 -1.803 1.00 9.05 H new ATOM 0 HB2 ARG A 54 -3.846 -12.115 -0.280 1.00 7.97 H new ATOM 0 HB3 ARG A 54 -3.783 -10.439 0.227 1.00 7.97 H new ATOM 0 HG2 ARG A 54 -5.974 -10.545 1.205 1.00 9.62 H new ATOM 0 HG3 ARG A 54 -6.325 -12.080 0.435 1.00 9.62 H new ATOM 0 HD2 ARG A 54 -4.514 -13.155 1.853 1.00 12.20 H new ATOM 0 HD3 ARG A 54 -4.292 -11.623 2.674 1.00 12.20 H new ATOM 0 HE ARG A 54 -7.073 -12.639 2.447 1.00 18.23 H new ATOM 0 HH11 ARG A 54 -4.356 -12.335 4.691 1.00 23.38 H new ATOM 0 HH12 ARG A 54 -5.350 -12.592 6.129 1.00 23.38 H new ATOM 0 HH21 ARG A 54 -8.409 -13.030 4.353 1.00 25.50 H new ATOM 0 HH22 ARG A 54 -7.632 -12.980 5.939 1.00 25.50 H new ATOM 871 N THR A 55 -7.081 -9.554 -1.308 1.00 9.05 N ATOM 872 CA THR A 55 -7.812 -8.345 -1.529 1.00 9.03 C ATOM 873 C THR A 55 -7.759 -7.453 -0.336 1.00 8.15 C ATOM 874 O THR A 55 -7.412 -7.720 0.813 1.00 5.91 O ATOM 875 CB THR A 55 -9.261 -8.442 -1.903 1.00 11.15 C ATOM 876 OG1 THR A 55 -10.095 -8.978 -0.886 1.00 11.95 O ATOM 877 CG2 THR A 55 -9.453 -9.472 -3.029 1.00 11.71 C ATOM 0 H THR A 55 -7.627 -10.379 -1.058 1.00 9.05 H new ATOM 0 HA THR A 55 -7.291 -7.958 -2.405 1.00 9.03 H new ATOM 0 HB THR A 55 -9.527 -7.414 -2.147 1.00 11.15 H new ATOM 0 HG1 THR A 55 -11.021 -9.007 -1.204 1.00 11.95 H new ATOM 0 HG21 THR A 55 -10.509 -9.532 -3.291 1.00 11.71 H new ATOM 0 HG22 THR A 55 -8.879 -9.166 -3.904 1.00 11.71 H new ATOM 0 HG23 THR A 55 -9.106 -10.449 -2.692 1.00 11.71 H new ATOM 885 N LEU A 56 -8.114 -6.174 -0.554 1.00 6.91 N ATOM 886 CA LEU A 56 -8.107 -5.202 0.495 1.00 8.29 C ATOM 887 C LEU A 56 -9.129 -5.434 1.554 1.00 8.05 C ATOM 888 O LEU A 56 -8.928 -5.222 2.749 1.00 10.17 O ATOM 889 CB LEU A 56 -8.327 -3.811 -0.123 1.00 6.60 C ATOM 890 CG LEU A 56 -7.196 -3.374 -1.068 1.00 7.73 C ATOM 891 CD1 LEU A 56 -7.620 -2.329 -2.114 1.00 8.64 C ATOM 892 CD2 LEU A 56 -6.007 -2.871 -0.232 1.00 9.85 C ATOM 0 H LEU A 56 -8.407 -5.812 -1.461 1.00 6.91 H new ATOM 0 HA LEU A 56 -7.138 -5.282 0.988 1.00 8.29 H new ATOM 0 HB2 LEU A 56 -9.269 -3.811 -0.672 1.00 6.60 H new ATOM 0 HB3 LEU A 56 -8.425 -3.078 0.678 1.00 6.60 H new ATOM 0 HG LEU A 56 -6.907 -4.250 -1.648 1.00 7.73 H new ATOM 0 HD11 LEU A 56 -6.765 -2.074 -2.741 1.00 8.64 H new ATOM 0 HD12 LEU A 56 -8.416 -2.739 -2.735 1.00 8.64 H new ATOM 0 HD13 LEU A 56 -7.979 -1.433 -1.608 1.00 8.64 H new ATOM 0 HD21 LEU A 56 -5.201 -2.559 -0.896 1.00 9.85 H new ATOM 0 HD22 LEU A 56 -6.323 -2.024 0.377 1.00 9.85 H new ATOM 0 HD23 LEU A 56 -5.653 -3.673 0.416 1.00 9.85 H new ATOM 904 N SER A 57 -10.312 -5.899 1.114 1.00 8.92 N ATOM 905 CA SER A 57 -11.422 -6.272 1.935 1.00 9.00 C ATOM 906 C SER A 57 -11.249 -7.544 2.690 1.00 9.44 C ATOM 907 O SER A 57 -11.701 -7.677 3.827 1.00 10.91 O ATOM 908 CB SER A 57 -12.728 -6.420 1.138 1.00 10.32 C ATOM 909 OG SER A 57 -13.827 -6.324 2.032 1.00 13.59 O ATOM 0 H SER A 57 -10.505 -6.022 0.120 1.00 8.92 H new ATOM 0 HA SER A 57 -11.473 -5.442 2.640 1.00 9.00 H new ATOM 0 HB2 SER A 57 -12.794 -5.644 0.375 1.00 10.32 H new ATOM 0 HB3 SER A 57 -12.747 -7.379 0.620 1.00 10.32 H new ATOM 0 HG SER A 57 -14.665 -6.416 1.532 1.00 13.59 H new ATOM 915 N ASP A 58 -10.442 -8.519 2.234 1.00 9.11 N ATOM 916 CA ASP A 58 -10.081 -9.710 2.938 1.00 7.91 C ATOM 917 C ASP A 58 -9.124 -9.311 4.008 1.00 9.12 C ATOM 918 O ASP A 58 -9.272 -9.772 5.138 1.00 8.61 O ATOM 919 CB ASP A 58 -9.499 -10.653 1.872 1.00 8.41 C ATOM 920 CG ASP A 58 -9.388 -12.079 2.391 1.00 11.50 C ATOM 921 OD1 ASP A 58 -10.001 -12.369 3.453 1.00 11.70 O ATOM 922 OD2 ASP A 58 -8.569 -12.884 1.871 1.00 10.05 O ATOM 0 H ASP A 58 -10.013 -8.471 1.310 1.00 9.11 H new ATOM 0 HA ASP A 58 -10.900 -10.229 3.436 1.00 7.91 H new ATOM 0 HB2 ASP A 58 -10.132 -10.636 0.985 1.00 8.41 H new ATOM 0 HB3 ASP A 58 -8.514 -10.297 1.568 1.00 8.41 H new ATOM 927 N TYR A 59 -8.200 -8.371 3.736 1.00 7.97 N ATOM 928 CA TYR A 59 -7.242 -7.882 4.678 1.00 8.45 C ATOM 929 C TYR A 59 -7.853 -6.921 5.640 1.00 10.98 C ATOM 930 O TYR A 59 -7.130 -6.372 6.471 1.00 12.95 O ATOM 931 CB TYR A 59 -6.036 -7.145 4.072 1.00 7.94 C ATOM 932 CG TYR A 59 -4.882 -8.069 3.884 1.00 6.91 C ATOM 933 CD1 TYR A 59 -4.232 -8.647 4.950 1.00 6.98 C ATOM 934 CD2 TYR A 59 -4.451 -8.202 2.585 1.00 4.59 C ATOM 935 CE1 TYR A 59 -3.063 -9.331 4.710 1.00 6.52 C ATOM 936 CE2 TYR A 59 -3.276 -8.877 2.352 1.00 5.39 C ATOM 937 CZ TYR A 59 -2.606 -9.432 3.417 1.00 6.76 C ATOM 938 OH TYR A 59 -1.311 -9.968 3.254 1.00 7.63 O ATOM 0 H TYR A 59 -8.118 -7.933 2.819 1.00 7.97 H new ATOM 0 HA TYR A 59 -6.895 -8.798 5.156 1.00 8.45 H new ATOM 0 HB2 TYR A 59 -6.317 -6.709 3.113 1.00 7.94 H new ATOM 0 HB3 TYR A 59 -5.744 -6.321 4.724 1.00 7.94 H new ATOM 0 HD1 TYR A 59 -4.630 -8.566 5.951 1.00 6.98 H new ATOM 0 HD2 TYR A 59 -5.022 -7.786 1.768 1.00 4.59 H new ATOM 0 HE1 TYR A 59 -2.513 -9.781 5.523 1.00 6.52 H new ATOM 0 HE2 TYR A 59 -2.886 -8.970 1.349 1.00 5.39 H new ATOM 0 HH TYR A 59 -1.370 -10.941 3.157 1.00 7.63 H new ATOM 948 N ASN A 60 -9.152 -6.577 5.597 1.00 12.38 N ATOM 949 CA ASN A 60 -9.817 -5.676 6.487 1.00 13.94 C ATOM 950 C ASN A 60 -9.143 -4.357 6.656 1.00 14.16 C ATOM 951 O ASN A 60 -8.743 -3.910 7.729 1.00 14.26 O ATOM 952 CB ASN A 60 -9.860 -6.448 7.816 1.00 19.23 C ATOM 953 CG ASN A 60 -10.793 -5.749 8.794 1.00 22.65 C ATOM 954 OD1 ASN A 60 -11.682 -4.974 8.444 1.00 25.45 O ATOM 955 ND2 ASN A 60 -10.622 -6.118 10.092 1.00 24.09 N ATOM 0 H ASN A 60 -9.782 -6.956 4.890 1.00 12.38 H new ATOM 0 HA ASN A 60 -10.797 -5.403 6.095 1.00 13.94 H new ATOM 0 HB2 ASN A 60 -10.200 -7.469 7.642 1.00 19.23 H new ATOM 0 HB3 ASN A 60 -8.858 -6.514 8.240 1.00 19.23 H new ATOM 0 HD21 ASN A 60 -11.242 -5.750 10.813 1.00 24.09 H new ATOM 0 HD22 ASN A 60 -9.873 -6.763 10.344 1.00 24.09 H new ATOM 962 N ILE A 61 -9.027 -3.673 5.504 1.00 11.08 N ATOM 963 CA ILE A 61 -8.609 -2.318 5.324 1.00 11.78 C ATOM 964 C ILE A 61 -9.801 -1.472 5.035 1.00 13.74 C ATOM 965 O ILE A 61 -10.596 -1.717 4.130 1.00 14.60 O ATOM 966 CB ILE A 61 -7.540 -2.108 4.292 1.00 11.80 C ATOM 967 CG1 ILE A 61 -6.352 -3.049 4.550 1.00 11.56 C ATOM 968 CG2 ILE A 61 -7.114 -0.630 4.268 1.00 13.29 C ATOM 969 CD1 ILE A 61 -5.812 -3.141 5.977 1.00 11.42 C ATOM 0 H ILE A 61 -9.249 -4.115 4.612 1.00 11.08 H new ATOM 0 HA ILE A 61 -8.138 -2.020 6.261 1.00 11.78 H new ATOM 0 HB ILE A 61 -7.936 -2.353 3.306 1.00 11.80 H new ATOM 0 HG12 ILE A 61 -6.645 -4.051 4.238 1.00 11.56 H new ATOM 0 HG13 ILE A 61 -5.533 -2.739 3.901 1.00 11.56 H new ATOM 0 HG21 ILE A 61 -6.338 -0.487 3.516 1.00 13.29 H new ATOM 0 HG22 ILE A 61 -7.975 -0.007 4.024 1.00 13.29 H new ATOM 0 HG23 ILE A 61 -6.727 -0.347 5.247 1.00 13.29 H new ATOM 0 HD11 ILE A 61 -4.977 -3.841 6.006 1.00 11.42 H new ATOM 0 HD12 ILE A 61 -5.472 -2.158 6.301 1.00 11.42 H new ATOM 0 HD13 ILE A 61 -6.601 -3.490 6.643 1.00 11.42 H new ATOM 981 N GLN A 62 -9.886 -0.328 5.738 1.00 13.97 N ATOM 982 CA GLN A 62 -10.937 0.639 5.657 1.00 15.52 C ATOM 983 C GLN A 62 -10.533 1.936 5.045 1.00 13.94 C ATOM 984 O GLN A 62 -9.432 2.144 4.538 1.00 12.15 O ATOM 985 CB GLN A 62 -11.424 0.775 7.110 1.00 19.53 C ATOM 986 CG GLN A 62 -10.510 1.504 8.097 1.00 26.38 C ATOM 987 CD GLN A 62 -10.785 1.171 9.557 1.00 30.61 C ATOM 988 OE1 GLN A 62 -9.877 0.614 10.171 1.00 33.23 O ATOM 989 NE2 GLN A 62 -11.944 1.574 10.143 1.00 32.71 N ATOM 0 H GLN A 62 -9.168 -0.061 6.411 1.00 13.97 H new ATOM 0 HA GLN A 62 -11.727 0.315 4.980 1.00 15.52 H new ATOM 0 HB2 GLN A 62 -12.384 1.292 7.096 1.00 19.53 H new ATOM 0 HB3 GLN A 62 -11.607 -0.227 7.498 1.00 19.53 H new ATOM 0 HG2 GLN A 62 -9.474 1.257 7.867 1.00 26.38 H new ATOM 0 HG3 GLN A 62 -10.621 2.579 7.953 1.00 26.38 H new ATOM 0 HE21 GLN A 62 -12.665 2.032 9.585 1.00 32.71 H new ATOM 0 HE22 GLN A 62 -12.092 1.418 11.140 1.00 32.71 H new ATOM 998 N LYS A 63 -11.539 2.827 4.985 1.00 11.73 N ATOM 999 CA LYS A 63 -11.422 4.197 4.592 1.00 11.97 C ATOM 1000 C LYS A 63 -10.494 5.012 5.426 1.00 10.41 C ATOM 1001 O LYS A 63 -10.626 5.181 6.637 1.00 9.59 O ATOM 1002 CB LYS A 63 -12.775 4.903 4.782 1.00 13.73 C ATOM 1003 CG LYS A 63 -13.899 4.426 3.859 1.00 16.98 C ATOM 1004 CD LYS A 63 -15.200 5.224 3.970 1.00 20.19 C ATOM 1005 CE LYS A 63 -16.364 4.605 3.193 1.00 23.42 C ATOM 1006 NZ LYS A 63 -16.859 3.456 3.984 1.00 25.97 N ATOM 0 H LYS A 63 -12.497 2.573 5.227 1.00 11.73 H new ATOM 0 HA LYS A 63 -11.059 4.146 3.566 1.00 11.97 H new ATOM 0 HB2 LYS A 63 -13.094 4.768 5.815 1.00 13.73 H new ATOM 0 HB3 LYS A 63 -12.632 5.973 4.630 1.00 13.73 H new ATOM 0 HG2 LYS A 63 -13.548 4.471 2.828 1.00 16.98 H new ATOM 0 HG3 LYS A 63 -14.111 3.379 4.078 1.00 16.98 H new ATOM 0 HD2 LYS A 63 -15.478 5.306 5.021 1.00 20.19 H new ATOM 0 HD3 LYS A 63 -15.028 6.237 3.606 1.00 20.19 H new ATOM 0 HE2 LYS A 63 -17.157 5.337 3.041 1.00 23.42 H new ATOM 0 HE3 LYS A 63 -16.037 4.279 2.205 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 -16.980 2.632 3.361 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 -16.173 3.228 4.731 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 -17.773 3.700 4.416 1.00 25.97 H new ATOM 1020 N GLU A 64 -9.416 5.580 4.856 1.00 10.04 N ATOM 1021 CA GLU A 64 -8.458 6.494 5.396 1.00 10.94 C ATOM 1022 C GLU A 64 -7.475 5.835 6.301 1.00 9.74 C ATOM 1023 O GLU A 64 -7.132 6.333 7.372 1.00 9.42 O ATOM 1024 CB GLU A 64 -9.224 7.747 5.855 1.00 18.31 C ATOM 1025 CG GLU A 64 -9.837 8.532 4.693 1.00 24.16 C ATOM 1026 CD GLU A 64 -10.531 9.790 5.196 1.00 29.00 C ATOM 1027 OE1 GLU A 64 -11.485 9.524 5.976 1.00 32.61 O ATOM 1028 OE2 GLU A 64 -10.238 10.985 4.927 1.00 31.72 O ATOM 0 H GLU A 64 -9.191 5.365 3.885 1.00 10.04 H new ATOM 0 HA GLU A 64 -7.748 6.867 4.658 1.00 10.94 H new ATOM 0 HB2 GLU A 64 -10.015 7.450 6.543 1.00 18.31 H new ATOM 0 HB3 GLU A 64 -8.547 8.398 6.409 1.00 18.31 H new ATOM 0 HG2 GLU A 64 -9.058 8.802 3.980 1.00 24.16 H new ATOM 0 HG3 GLU A 64 -10.553 7.904 4.162 1.00 24.16 H new ATOM 1035 N SER A 65 -7.101 4.583 5.982 1.00 6.85 N ATOM 1036 CA SER A 65 -6.244 3.737 6.754 1.00 6.90 C ATOM 1037 C SER A 65 -4.828 3.934 6.334 1.00 4.72 C ATOM 1038 O SER A 65 -4.495 4.161 5.172 1.00 3.91 O ATOM 1039 CB SER A 65 -6.668 2.259 6.769 1.00 7.28 C ATOM 1040 OG SER A 65 -6.220 1.634 7.963 1.00 10.56 O ATOM 0 H SER A 65 -7.420 4.131 5.125 1.00 6.85 H new ATOM 0 HA SER A 65 -6.341 4.042 7.796 1.00 6.90 H new ATOM 0 HB2 SER A 65 -7.753 2.183 6.695 1.00 7.28 H new ATOM 0 HB3 SER A 65 -6.253 1.745 5.902 1.00 7.28 H new ATOM 0 HG SER A 65 -6.496 0.694 7.964 1.00 10.56 H new ATOM 1046 N THR A 66 -3.949 3.901 7.351 1.00 4.48 N ATOM 1047 CA THR A 66 -2.531 3.988 7.192 1.00 3.80 C ATOM 1048 C THR A 66 -1.876 2.669 6.962 1.00 4.60 C ATOM 1049 O THR A 66 -2.069 1.694 7.687 1.00 5.33 O ATOM 1050 CB THR A 66 -1.975 4.639 8.424 1.00 2.85 C ATOM 1051 OG1 THR A 66 -2.682 4.259 9.595 1.00 2.15 O ATOM 1052 CG2 THR A 66 -2.117 6.167 8.327 1.00 3.40 C ATOM 0 H THR A 66 -4.239 3.810 8.325 1.00 4.48 H new ATOM 0 HA THR A 66 -2.322 4.576 6.298 1.00 3.80 H new ATOM 0 HB THR A 66 -0.934 4.323 8.488 1.00 2.85 H new ATOM 0 HG1 THR A 66 -2.287 4.703 10.374 1.00 2.15 H new ATOM 0 HG21 THR A 66 -1.710 6.628 9.227 1.00 3.40 H new ATOM 0 HG22 THR A 66 -1.571 6.529 7.455 1.00 3.40 H new ATOM 0 HG23 THR A 66 -3.171 6.429 8.230 1.00 3.40 H new ATOM 1060 N LEU A 67 -1.081 2.670 5.877 1.00 4.17 N ATOM 1061 CA LEU A 67 -0.209 1.644 5.396 1.00 3.85 C ATOM 1062 C LEU A 67 1.147 2.263 5.410 1.00 3.80 C ATOM 1063 O LEU A 67 1.318 3.476 5.310 1.00 5.54 O ATOM 1064 CB LEU A 67 -0.581 1.191 3.974 1.00 7.18 C ATOM 1065 CG LEU A 67 -1.752 0.217 3.763 1.00 9.67 C ATOM 1066 CD1 LEU A 67 -3.141 0.878 3.761 1.00 11.66 C ATOM 1067 CD2 LEU A 67 -1.476 -0.316 2.347 1.00 8.12 C ATOM 0 H LEU A 67 -1.049 3.488 5.268 1.00 4.17 H new ATOM 0 HA LEU A 67 -0.271 0.748 6.014 1.00 3.85 H new ATOM 0 HB2 LEU A 67 -0.796 2.088 3.393 1.00 7.18 H new ATOM 0 HB3 LEU A 67 0.306 0.733 3.537 1.00 7.18 H new ATOM 0 HG LEU A 67 -1.791 -0.517 4.567 1.00 9.67 H new ATOM 0 HD11 LEU A 67 -3.906 0.117 3.606 1.00 11.66 H new ATOM 0 HD12 LEU A 67 -3.310 1.373 4.717 1.00 11.66 H new ATOM 0 HD13 LEU A 67 -3.193 1.613 2.958 1.00 11.66 H new ATOM 0 HD21 LEU A 67 -2.250 -1.031 2.070 1.00 8.12 H new ATOM 0 HD22 LEU A 67 -1.478 0.513 1.639 1.00 8.12 H new ATOM 0 HD23 LEU A 67 -0.503 -0.808 2.327 1.00 8.12 H new ATOM 1079 N HIS A 68 2.182 1.431 5.628 1.00 2.94 N ATOM 1080 CA HIS A 68 3.525 1.919 5.581 1.00 4.17 C ATOM 1081 C HIS A 68 4.323 1.228 4.530 1.00 5.32 C ATOM 1082 O HIS A 68 4.212 0.018 4.338 1.00 7.70 O ATOM 1083 CB HIS A 68 4.286 1.878 6.917 1.00 5.57 C ATOM 1084 CG HIS A 68 5.728 2.284 7.005 1.00 9.95 C ATOM 1085 ND1 HIS A 68 6.110 3.527 6.543 1.00 13.74 N ATOM 1086 CD2 HIS A 68 6.891 1.744 7.457 1.00 12.79 C ATOM 1087 CE1 HIS A 68 7.426 3.719 6.829 1.00 14.75 C ATOM 1088 NE2 HIS A 68 7.948 2.625 7.351 1.00 16.30 N ATOM 0 H HIS A 68 2.092 0.436 5.834 1.00 2.94 H new ATOM 0 HA HIS A 68 3.409 2.974 5.333 1.00 4.17 H new ATOM 0 HB2 HIS A 68 3.735 2.508 7.616 1.00 5.57 H new ATOM 0 HB3 HIS A 68 4.220 0.856 7.289 1.00 5.57 H new ATOM 0 HD1 HIS A 68 5.504 4.194 6.065 1.00 13.74 H new ATOM 0 HD2 HIS A 68 6.978 0.743 7.853 1.00 12.79 H new ATOM 0 HE1 HIS A 68 7.967 4.637 6.654 1.00 14.75 H new ATOM 1096 N LEU A 69 5.087 2.032 3.768 1.00 5.29 N ATOM 1097 CA LEU A 69 5.963 1.563 2.740 1.00 3.97 C ATOM 1098 C LEU A 69 7.398 1.629 3.136 1.00 5.07 C ATOM 1099 O LEU A 69 8.010 2.688 3.266 1.00 4.34 O ATOM 1100 CB LEU A 69 5.760 2.515 1.549 1.00 6.08 C ATOM 1101 CG LEU A 69 6.244 1.983 0.189 1.00 7.37 C ATOM 1102 CD1 LEU A 69 5.467 0.728 -0.243 1.00 9.96 C ATOM 1103 CD2 LEU A 69 6.297 3.046 -0.921 1.00 6.87 C ATOM 0 H LEU A 69 5.094 3.047 3.872 1.00 5.29 H new ATOM 0 HA LEU A 69 5.733 0.521 2.519 1.00 3.97 H new ATOM 0 HB2 LEU A 69 4.699 2.751 1.471 1.00 6.08 H new ATOM 0 HB3 LEU A 69 6.279 3.450 1.760 1.00 6.08 H new ATOM 0 HG LEU A 69 7.282 1.691 0.346 1.00 7.37 H new ATOM 0 HD11 LEU A 69 5.839 0.384 -1.208 1.00 9.96 H new ATOM 0 HD12 LEU A 69 5.603 -0.058 0.500 1.00 9.96 H new ATOM 0 HD13 LEU A 69 4.407 0.967 -0.327 1.00 9.96 H new ATOM 0 HD21 LEU A 69 6.648 2.589 -1.846 1.00 6.87 H new ATOM 0 HD22 LEU A 69 5.301 3.460 -1.076 1.00 6.87 H new ATOM 0 HD23 LEU A 69 6.980 3.844 -0.629 1.00 6.87 H new ATOM 1115 N VAL A 70 7.948 0.414 3.310 1.00 4.29 N ATOM 1116 CA VAL A 70 9.313 0.308 3.720 1.00 6.26 C ATOM 1117 C VAL A 70 10.156 0.038 2.521 1.00 9.22 C ATOM 1118 O VAL A 70 9.740 -0.050 1.367 1.00 9.36 O ATOM 1119 CB VAL A 70 9.511 -0.832 4.675 1.00 8.69 C ATOM 1120 CG1 VAL A 70 8.840 -0.451 6.006 1.00 9.76 C ATOM 1121 CG2 VAL A 70 8.839 -2.116 4.160 1.00 8.54 C ATOM 0 H VAL A 70 7.463 -0.473 3.171 1.00 4.29 H new ATOM 0 HA VAL A 70 9.590 1.241 4.210 1.00 6.26 H new ATOM 0 HB VAL A 70 10.579 -1.016 4.788 1.00 8.69 H new ATOM 0 HG11 VAL A 70 8.967 -1.262 6.723 1.00 9.76 H new ATOM 0 HG12 VAL A 70 9.300 0.456 6.399 1.00 9.76 H new ATOM 0 HG13 VAL A 70 7.777 -0.276 5.841 1.00 9.76 H new ATOM 0 HG21 VAL A 70 9.001 -2.923 4.875 1.00 8.54 H new ATOM 0 HG22 VAL A 70 7.769 -1.945 4.042 1.00 8.54 H new ATOM 0 HG23 VAL A 70 9.270 -2.392 3.198 1.00 8.54 H new ATOM 1131 N LEU A 71 11.468 -0.203 2.690 1.00 12.71 N ATOM 1132 CA LEU A 71 12.403 -0.425 1.631 1.00 16.06 C ATOM 1133 C LEU A 71 12.625 -1.897 1.557 1.00 18.09 C ATOM 1134 O LEU A 71 13.244 -2.445 2.467 1.00 19.26 O ATOM 1135 CB LEU A 71 13.729 0.293 1.932 1.00 17.10 C ATOM 1136 CG LEU A 71 14.887 0.015 0.959 1.00 19.37 C ATOM 1137 CD1 LEU A 71 14.615 0.436 -0.496 1.00 19.57 C ATOM 1138 CD2 LEU A 71 16.170 0.698 1.461 1.00 17.51 C ATOM 0 H LEU A 71 11.899 -0.245 3.614 1.00 12.71 H new ATOM 0 HA LEU A 71 12.022 -0.036 0.687 1.00 16.06 H new ATOM 0 HB2 LEU A 71 13.542 1.367 1.944 1.00 17.10 H new ATOM 0 HB3 LEU A 71 14.050 0.014 2.936 1.00 17.10 H new ATOM 0 HG LEU A 71 15.002 -1.069 0.942 1.00 19.37 H new ATOM 0 HD11 LEU A 71 15.484 0.203 -1.111 1.00 19.57 H new ATOM 0 HD12 LEU A 71 13.747 -0.104 -0.875 1.00 19.57 H new ATOM 0 HD13 LEU A 71 14.420 1.508 -0.534 1.00 19.57 H new ATOM 0 HD21 LEU A 71 16.985 0.496 0.766 1.00 17.51 H new ATOM 0 HD22 LEU A 71 16.008 1.774 1.527 1.00 17.51 H new ATOM 0 HD23 LEU A 71 16.428 0.309 2.446 1.00 17.51 H new