USER MOD reduce.3.24.130724 H: found=0, std=0, add=557, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 556 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 71 LYS NZ :NH3+ -177:sc= 1.22 (180deg=0) USER MOD Set 1.2: A 73 GLN : amide:sc= 1.04 K(o=2.3,f=-3.5) USER MOD Set 2.1: A 37 ASN : amide:sc= 0.424 K(o=-0.72,f=-5!) USER MOD Set 2.2: A 42 GLN : amide:sc= -1.14! K(o=-0.72!,f=-5) USER MOD Set 3.1: A 32 GLN : amide:sc= -0.487 K(o=0.38,f=-4.6!) USER MOD Set 3.2: A 46 SER OG : rot -56:sc= 0.871 USER MOD Set 4.1: A 1 MET N :NH3+ -178:sc= 0.524 (180deg=-0.21) USER MOD Set 4.2: A 3 GLN : amide:sc= 0.386 K(o=0.91,f=-6.2!) USER MOD Single : A 1 MET CE :methyl -179:sc= 0 (180deg=-0.00184) USER MOD Single : A 4 THR OG1 : rot -85:sc= 0.00517 USER MOD Single : A 6 ASN : amide:sc= -0.0186 X(o=-0.019,f=0) USER MOD Single : A 8 GLN : amide:sc= 1.17 K(o=1.2,f=-0.56) USER MOD Single : A 12 MET CE :methyl -145:sc= -0.0702 (180deg=-1.81!) USER MOD Single : A 14 CYS SG : rot 180:sc= -0.238 USER MOD Single : A 17 CYS SG : rot 170:sc= 0.113 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0.154 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 SER OG : rot 56:sc= 1.24 USER MOD Single : A 34 CYS SG : rot 180:sc= -0.367 USER MOD Single : A 35 GLN : amide:sc= 0.698 K(o=0.7,f=0) USER MOD Single : A 47 TYR OH : rot 30:sc= -0.629 USER MOD Single : A 48 HIS : no HD1:sc= -1.27 K(o=-1.3,f=-5.6!) USER MOD Single : A 51 THR OG1 : rot -42:sc= 0.879 USER MOD Single : A 52 THR OG1 : rot -42:sc= 0.0265 USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 TYR OH : rot 166:sc= 1.01 USER MOD Single : A 66 HIS : no HD1:sc= -1.3 K(o=-1.3,f=-2.4!) USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -6.012 -13.404 -11.919 1.00 5.27 N ATOM 2 CA MET A 1 -5.212 -14.561 -11.450 1.00 4.69 C ATOM 3 C MET A 1 -4.983 -14.355 -9.955 1.00 3.68 C ATOM 4 O MET A 1 -5.910 -13.879 -9.310 1.00 3.73 O ATOM 5 CB MET A 1 -3.914 -14.713 -12.268 1.00 5.23 C ATOM 6 CG MET A 1 -4.189 -14.950 -13.758 1.00 6.23 C ATOM 7 SD MET A 1 -2.710 -15.280 -14.746 1.00 7.65 S ATOM 8 CE MET A 1 -1.900 -13.655 -14.759 1.00 8.66 C ATOM 0 H1 MET A 1 -6.224 -13.516 -12.931 1.00 5.27 H new ATOM 0 H2 MET A 1 -6.901 -13.356 -11.382 1.00 5.27 H new ATOM 0 H3 MET A 1 -5.472 -12.527 -11.773 1.00 5.27 H new ATOM 0 HA MET A 1 -5.735 -15.505 -11.603 1.00 4.69 H new ATOM 0 HB2 MET A 1 -3.307 -13.816 -12.151 1.00 5.23 H new ATOM 0 HB3 MET A 1 -3.333 -15.545 -11.871 1.00 5.23 H new ATOM 0 HG2 MET A 1 -4.874 -15.791 -13.859 1.00 6.23 H new ATOM 0 HG3 MET A 1 -4.696 -14.075 -14.165 1.00 6.23 H new ATOM 0 HE1 MET A 1 -0.985 -13.709 -15.348 1.00 8.66 H new ATOM 0 HE2 MET A 1 -2.571 -12.917 -15.199 1.00 8.66 H new ATOM 0 HE3 MET A 1 -1.657 -13.361 -13.738 1.00 8.66 H new ATOM 20 N ALA A 2 -3.769 -14.553 -9.423 1.00 3.53 N ATOM 21 CA ALA A 2 -3.281 -13.608 -8.410 1.00 2.95 C ATOM 22 C ALA A 2 -3.383 -12.179 -8.990 1.00 2.25 C ATOM 23 O ALA A 2 -3.235 -12.011 -10.207 1.00 2.24 O ATOM 24 CB ALA A 2 -1.845 -13.985 -8.022 1.00 3.66 C ATOM 0 H ALA A 2 -3.136 -15.317 -9.660 1.00 3.53 H new ATOM 0 HA ALA A 2 -3.882 -13.648 -7.502 1.00 2.95 H new ATOM 0 HB1 ALA A 2 -1.476 -13.287 -7.270 1.00 3.66 H new ATOM 0 HB2 ALA A 2 -1.831 -14.997 -7.616 1.00 3.66 H new ATOM 0 HB3 ALA A 2 -1.206 -13.939 -8.904 1.00 3.66 H new ATOM 30 N GLN A 3 -3.720 -11.172 -8.183 1.00 2.12 N ATOM 31 CA GLN A 3 -4.227 -9.904 -8.721 1.00 1.57 C ATOM 32 C GLN A 3 -3.713 -8.714 -7.907 1.00 1.19 C ATOM 33 O GLN A 3 -4.052 -8.560 -6.735 1.00 1.71 O ATOM 34 CB GLN A 3 -5.767 -9.963 -8.779 1.00 2.10 C ATOM 35 CG GLN A 3 -6.347 -9.037 -9.857 1.00 2.02 C ATOM 36 CD GLN A 3 -6.037 -9.502 -11.281 1.00 3.13 C ATOM 37 OE1 GLN A 3 -5.975 -10.683 -11.609 1.00 3.36 O ATOM 38 NE2 GLN A 3 -5.804 -8.590 -12.200 1.00 4.45 N ATOM 0 H GLN A 3 -3.653 -11.206 -7.166 1.00 2.12 H new ATOM 0 HA GLN A 3 -3.853 -9.757 -9.734 1.00 1.57 H new ATOM 0 HB2 GLN A 3 -6.082 -10.988 -8.976 1.00 2.10 H new ATOM 0 HB3 GLN A 3 -6.176 -9.686 -7.807 1.00 2.10 H new ATOM 0 HG2 GLN A 3 -7.428 -8.974 -9.729 1.00 2.02 H new ATOM 0 HG3 GLN A 3 -5.950 -8.032 -9.715 1.00 2.02 H new ATOM 0 HE21 GLN A 3 -5.848 -7.600 -11.959 1.00 4.45 H new ATOM 0 HE22 GLN A 3 -5.579 -8.873 -13.154 1.00 4.45 H new ATOM 47 N THR A 4 -2.869 -7.879 -8.522 1.00 0.82 N ATOM 48 CA THR A 4 -2.005 -6.944 -7.800 1.00 0.88 C ATOM 49 C THR A 4 -1.642 -5.727 -8.629 1.00 0.98 C ATOM 50 O THR A 4 -1.721 -5.755 -9.855 1.00 1.34 O ATOM 51 CB THR A 4 -0.764 -7.692 -7.295 1.00 0.94 C ATOM 52 OG1 THR A 4 -0.179 -6.922 -6.285 1.00 1.25 O ATOM 53 CG2 THR A 4 0.287 -7.984 -8.366 1.00 1.29 C ATOM 0 H THR A 4 -2.767 -7.834 -9.536 1.00 0.82 H new ATOM 0 HA THR A 4 -2.556 -6.554 -6.944 1.00 0.88 H new ATOM 0 HB THR A 4 -1.105 -8.665 -6.942 1.00 0.94 H new ATOM 0 HG1 THR A 4 0.417 -6.255 -6.686 1.00 1.25 H new ATOM 0 HG21 THR A 4 1.127 -8.515 -7.917 1.00 1.29 H new ATOM 0 HG22 THR A 4 -0.154 -8.600 -9.150 1.00 1.29 H new ATOM 0 HG23 THR A 4 0.639 -7.046 -8.796 1.00 1.29 H new ATOM 61 N ILE A 5 -1.164 -4.702 -7.933 1.00 0.75 N ATOM 62 CA ILE A 5 -0.308 -3.655 -8.492 1.00 0.77 C ATOM 63 C ILE A 5 1.070 -3.849 -7.851 1.00 0.64 C ATOM 64 O ILE A 5 1.133 -4.026 -6.635 1.00 0.54 O ATOM 65 CB ILE A 5 -0.834 -2.239 -8.148 1.00 1.04 C ATOM 66 CG1 ILE A 5 -2.353 -2.037 -8.323 1.00 1.28 C ATOM 67 CG2 ILE A 5 -0.064 -1.177 -8.953 1.00 1.27 C ATOM 68 CD1 ILE A 5 -2.918 -2.295 -9.723 1.00 1.58 C ATOM 0 H ILE A 5 -1.364 -4.570 -6.941 1.00 0.75 H new ATOM 0 HA ILE A 5 -0.281 -3.731 -9.579 1.00 0.77 H new ATOM 0 HB ILE A 5 -0.653 -2.123 -7.079 1.00 1.04 H new ATOM 0 HG12 ILE A 5 -2.868 -2.693 -7.621 1.00 1.28 H new ATOM 0 HG13 ILE A 5 -2.596 -1.013 -8.040 1.00 1.28 H new ATOM 0 HG21 ILE A 5 -0.442 -0.186 -8.703 1.00 1.27 H new ATOM 0 HG22 ILE A 5 0.997 -1.233 -8.708 1.00 1.27 H new ATOM 0 HG23 ILE A 5 -0.200 -1.359 -10.019 1.00 1.27 H new ATOM 0 HD11 ILE A 5 -3.994 -2.120 -9.719 1.00 1.58 H new ATOM 0 HD12 ILE A 5 -2.443 -1.622 -10.437 1.00 1.58 H new ATOM 0 HD13 ILE A 5 -2.719 -3.327 -10.011 1.00 1.58 H new ATOM 80 N ASN A 6 2.147 -3.766 -8.635 1.00 0.77 N ATOM 81 CA ASN A 6 3.480 -3.447 -8.113 1.00 0.62 C ATOM 82 C ASN A 6 3.815 -1.993 -8.486 1.00 0.50 C ATOM 83 O ASN A 6 3.608 -1.577 -9.629 1.00 0.69 O ATOM 84 CB ASN A 6 4.534 -4.457 -8.604 1.00 0.73 C ATOM 85 CG ASN A 6 4.936 -4.284 -10.065 1.00 1.14 C ATOM 86 OD1 ASN A 6 6.007 -3.783 -10.373 1.00 2.28 O ATOM 87 ND2 ASN A 6 4.104 -4.685 -11.010 1.00 1.13 N ATOM 0 H ASN A 6 2.122 -3.917 -9.643 1.00 0.77 H new ATOM 0 HA ASN A 6 3.488 -3.532 -7.026 1.00 0.62 H new ATOM 0 HB2 ASN A 6 5.424 -4.367 -7.981 1.00 0.73 H new ATOM 0 HB3 ASN A 6 4.147 -5.466 -8.463 1.00 0.73 H new ATOM 0 HD21 ASN A 6 4.357 -4.576 -11.992 1.00 1.13 H new ATOM 0 HD22 ASN A 6 3.209 -5.104 -10.757 1.00 1.13 H new ATOM 94 N LEU A 7 4.265 -1.208 -7.508 1.00 0.45 N ATOM 95 CA LEU A 7 4.473 0.233 -7.633 1.00 0.41 C ATOM 96 C LEU A 7 5.546 0.717 -6.650 1.00 0.41 C ATOM 97 O LEU A 7 6.043 -0.064 -5.847 1.00 0.47 O ATOM 98 CB LEU A 7 3.120 0.981 -7.533 1.00 0.46 C ATOM 99 CG LEU A 7 2.522 1.229 -6.128 1.00 0.57 C ATOM 100 CD1 LEU A 7 1.362 2.229 -6.244 1.00 0.63 C ATOM 101 CD2 LEU A 7 2.000 -0.057 -5.475 1.00 0.66 C ATOM 0 H LEU A 7 4.501 -1.567 -6.583 1.00 0.45 H new ATOM 0 HA LEU A 7 4.868 0.468 -8.622 1.00 0.41 H new ATOM 0 HB2 LEU A 7 3.238 1.949 -8.020 1.00 0.46 H new ATOM 0 HB3 LEU A 7 2.386 0.420 -8.113 1.00 0.46 H new ATOM 0 HG LEU A 7 3.321 1.621 -5.499 1.00 0.57 H new ATOM 0 HD11 LEU A 7 0.936 2.408 -5.257 1.00 0.63 H new ATOM 0 HD12 LEU A 7 1.731 3.168 -6.656 1.00 0.63 H new ATOM 0 HD13 LEU A 7 0.594 1.821 -6.902 1.00 0.63 H new ATOM 0 HD21 LEU A 7 1.591 0.174 -4.491 1.00 0.66 H new ATOM 0 HD22 LEU A 7 1.219 -0.491 -6.099 1.00 0.66 H new ATOM 0 HD23 LEU A 7 2.818 -0.770 -5.370 1.00 0.66 H new ATOM 113 N GLN A 8 5.914 1.990 -6.724 1.00 0.40 N ATOM 114 CA GLN A 8 6.714 2.718 -5.742 1.00 0.39 C ATOM 115 C GLN A 8 5.796 3.512 -4.819 1.00 0.41 C ATOM 116 O GLN A 8 4.613 3.712 -5.098 1.00 0.52 O ATOM 117 CB GLN A 8 7.747 3.593 -6.458 1.00 0.46 C ATOM 118 CG GLN A 8 9.025 2.796 -6.731 1.00 0.54 C ATOM 119 CD GLN A 8 9.912 3.539 -7.728 1.00 0.79 C ATOM 120 OE1 GLN A 8 9.917 3.245 -8.915 1.00 1.05 O ATOM 121 NE2 GLN A 8 10.641 4.548 -7.307 1.00 1.06 N ATOM 0 H GLN A 8 5.648 2.577 -7.515 1.00 0.40 H new ATOM 0 HA GLN A 8 7.271 2.022 -5.115 1.00 0.39 H new ATOM 0 HB2 GLN A 8 7.333 3.961 -7.397 1.00 0.46 H new ATOM 0 HB3 GLN A 8 7.979 4.466 -5.848 1.00 0.46 H new ATOM 0 HG2 GLN A 8 9.568 2.637 -5.799 1.00 0.54 H new ATOM 0 HG3 GLN A 8 8.771 1.812 -7.124 1.00 0.54 H new ATOM 0 HE21 GLN A 8 10.642 4.799 -6.318 1.00 1.06 H new ATOM 0 HE22 GLN A 8 11.206 5.080 -7.969 1.00 1.06 H new ATOM 130 N LEU A 9 6.341 3.966 -3.698 1.00 0.41 N ATOM 131 CA LEU A 9 5.559 4.537 -2.615 1.00 0.45 C ATOM 132 C LEU A 9 6.297 5.769 -2.097 1.00 0.56 C ATOM 133 O LEU A 9 7.441 5.692 -1.663 1.00 0.83 O ATOM 134 CB LEU A 9 5.338 3.451 -1.544 1.00 0.54 C ATOM 135 CG LEU A 9 3.934 3.488 -0.929 1.00 0.92 C ATOM 136 CD1 LEU A 9 2.890 2.966 -1.930 1.00 2.01 C ATOM 137 CD2 LEU A 9 3.903 2.621 0.336 1.00 1.99 C ATOM 0 H LEU A 9 7.344 3.947 -3.516 1.00 0.41 H new ATOM 0 HA LEU A 9 4.571 4.864 -2.940 1.00 0.45 H new ATOM 0 HB2 LEU A 9 5.507 2.471 -1.989 1.00 0.54 H new ATOM 0 HB3 LEU A 9 6.078 3.574 -0.753 1.00 0.54 H new ATOM 0 HG LEU A 9 3.693 4.521 -0.676 1.00 0.92 H new ATOM 0 HD11 LEU A 9 1.900 3.000 -1.475 1.00 2.01 H new ATOM 0 HD12 LEU A 9 2.900 3.589 -2.824 1.00 2.01 H new ATOM 0 HD13 LEU A 9 3.129 1.938 -2.202 1.00 2.01 H new ATOM 0 HD21 LEU A 9 2.904 2.649 0.772 1.00 1.99 H new ATOM 0 HD22 LEU A 9 4.158 1.593 0.079 1.00 1.99 H new ATOM 0 HD23 LEU A 9 4.624 3.004 1.058 1.00 1.99 H new ATOM 149 N GLU A 10 5.647 6.916 -2.213 1.00 0.59 N ATOM 150 CA GLU A 10 6.305 8.208 -2.340 1.00 0.74 C ATOM 151 C GLU A 10 6.138 9.035 -1.070 1.00 0.71 C ATOM 152 O GLU A 10 5.034 9.189 -0.542 1.00 0.71 O ATOM 153 CB GLU A 10 5.711 8.890 -3.575 1.00 1.05 C ATOM 154 CG GLU A 10 6.400 10.189 -4.000 1.00 1.42 C ATOM 155 CD GLU A 10 5.982 10.629 -5.411 1.00 2.04 C ATOM 156 OE1 GLU A 10 5.241 9.902 -6.113 1.00 3.04 O ATOM 157 OE2 GLU A 10 6.476 11.675 -5.878 1.00 3.03 O ATOM 0 H GLU A 10 4.629 6.977 -2.222 1.00 0.59 H new ATOM 0 HA GLU A 10 7.381 8.094 -2.469 1.00 0.74 H new ATOM 0 HB2 GLU A 10 5.747 8.189 -4.409 1.00 1.05 H new ATOM 0 HB3 GLU A 10 4.659 9.102 -3.382 1.00 1.05 H new ATOM 0 HG2 GLU A 10 6.157 10.978 -3.288 1.00 1.42 H new ATOM 0 HG3 GLU A 10 7.481 10.053 -3.968 1.00 1.42 H new ATOM 164 N GLY A 11 7.255 9.563 -0.568 1.00 1.20 N ATOM 165 CA GLY A 11 7.280 10.373 0.647 1.00 1.47 C ATOM 166 C GLY A 11 7.447 9.579 1.943 1.00 1.21 C ATOM 167 O GLY A 11 7.362 10.205 2.994 1.00 1.51 O ATOM 0 H GLY A 11 8.172 9.439 -0.997 1.00 1.20 H new ATOM 0 HA2 GLY A 11 8.095 11.093 0.571 1.00 1.47 H new ATOM 0 HA3 GLY A 11 6.354 10.945 0.705 1.00 1.47 H new ATOM 171 N MET A 12 7.691 8.254 1.885 1.00 1.06 N ATOM 172 CA MET A 12 8.036 7.333 3.005 1.00 1.04 C ATOM 173 C MET A 12 9.160 7.809 3.973 1.00 1.02 C ATOM 174 O MET A 12 10.204 7.177 4.098 1.00 2.09 O ATOM 175 CB MET A 12 8.423 5.951 2.442 1.00 1.44 C ATOM 176 CG MET A 12 7.325 5.210 1.682 1.00 2.18 C ATOM 177 SD MET A 12 7.886 3.556 1.205 1.00 3.15 S ATOM 178 CE MET A 12 7.452 2.636 2.692 1.00 4.39 C ATOM 0 H MET A 12 7.651 7.757 0.995 1.00 1.06 H new ATOM 0 HA MET A 12 7.130 7.300 3.610 1.00 1.04 H new ATOM 0 HB2 MET A 12 9.277 6.077 1.777 1.00 1.44 H new ATOM 0 HB3 MET A 12 8.753 5.323 3.269 1.00 1.44 H new ATOM 0 HG2 MET A 12 6.433 5.132 2.304 1.00 2.18 H new ATOM 0 HG3 MET A 12 7.045 5.775 0.793 1.00 2.18 H new ATOM 0 HE1 MET A 12 8.197 1.861 2.871 1.00 4.39 H new ATOM 0 HE2 MET A 12 7.423 3.315 3.544 1.00 4.39 H new ATOM 0 HE3 MET A 12 6.473 2.175 2.562 1.00 4.39 H new ATOM 188 N ARG A 13 8.983 8.929 4.681 1.00 1.22 N ATOM 189 CA ARG A 13 10.098 9.702 5.247 1.00 1.50 C ATOM 190 C ARG A 13 10.781 9.023 6.446 1.00 1.35 C ATOM 191 O ARG A 13 12.007 8.969 6.491 1.00 2.19 O ATOM 192 CB ARG A 13 9.602 11.122 5.603 1.00 2.12 C ATOM 193 CG ARG A 13 10.656 12.235 5.466 1.00 2.87 C ATOM 194 CD ARG A 13 11.941 12.017 6.276 1.00 3.91 C ATOM 195 NE ARG A 13 12.749 13.244 6.370 1.00 4.97 N ATOM 196 CZ ARG A 13 13.613 13.702 5.469 1.00 5.54 C ATOM 197 NH1 ARG A 13 13.819 13.100 4.312 1.00 5.52 N ATOM 198 NH2 ARG A 13 14.291 14.796 5.735 1.00 6.83 N ATOM 0 H ARG A 13 8.065 9.327 4.879 1.00 1.22 H new ATOM 0 HA ARG A 13 10.874 9.761 4.484 1.00 1.50 H new ATOM 0 HB2 ARG A 13 8.754 11.365 4.963 1.00 2.12 H new ATOM 0 HB3 ARG A 13 9.235 11.115 6.629 1.00 2.12 H new ATOM 0 HG2 ARG A 13 10.921 12.336 4.414 1.00 2.87 H new ATOM 0 HG3 ARG A 13 10.207 13.179 5.773 1.00 2.87 H new ATOM 0 HD2 ARG A 13 11.684 11.675 7.278 1.00 3.91 H new ATOM 0 HD3 ARG A 13 12.533 11.228 5.812 1.00 3.91 H new ATOM 0 HE ARG A 13 12.634 13.802 7.216 1.00 4.97 H new ATOM 0 HH11 ARG A 13 13.306 12.249 4.081 1.00 5.52 H new ATOM 0 HH12 ARG A 13 14.492 13.486 3.649 1.00 5.52 H new ATOM 0 HH21 ARG A 13 14.150 15.280 6.622 1.00 6.83 H new ATOM 0 HH22 ARG A 13 14.958 15.161 5.055 1.00 6.83 H new ATOM 212 N CYS A 14 10.005 8.596 7.453 1.00 1.40 N ATOM 213 CA CYS A 14 10.511 8.215 8.793 1.00 1.60 C ATOM 214 C CYS A 14 9.462 7.703 9.804 1.00 1.96 C ATOM 215 O CYS A 14 9.819 7.443 10.948 1.00 3.30 O ATOM 216 CB CYS A 14 11.303 9.393 9.408 1.00 2.33 C ATOM 217 SG CYS A 14 10.247 10.865 9.561 1.00 3.56 S ATOM 0 H CYS A 14 8.993 8.502 7.365 1.00 1.40 H new ATOM 0 HA CYS A 14 11.150 7.352 8.607 1.00 1.60 H new ATOM 0 HB2 CYS A 14 11.684 9.109 10.389 1.00 2.33 H new ATOM 0 HB3 CYS A 14 12.167 9.622 8.784 1.00 2.33 H new ATOM 0 HG CYS A 14 10.933 11.839 10.081 1.00 3.56 H new ATOM 223 N ALA A 15 8.178 7.588 9.435 1.00 2.33 N ATOM 224 CA ALA A 15 7.119 7.121 10.336 1.00 2.91 C ATOM 225 C ALA A 15 6.692 5.677 10.014 1.00 2.12 C ATOM 226 O ALA A 15 6.512 5.314 8.847 1.00 2.80 O ATOM 227 CB ALA A 15 5.937 8.099 10.263 1.00 4.33 C ATOM 0 H ALA A 15 7.845 7.818 8.499 1.00 2.33 H new ATOM 0 HA ALA A 15 7.500 7.101 11.357 1.00 2.91 H new ATOM 0 HB1 ALA A 15 5.143 7.761 10.929 1.00 4.33 H new ATOM 0 HB2 ALA A 15 6.267 9.092 10.567 1.00 4.33 H new ATOM 0 HB3 ALA A 15 5.560 8.139 9.241 1.00 4.33 H new ATOM 233 N ALA A 16 6.463 4.873 11.060 1.00 1.47 N ATOM 234 CA ALA A 16 6.059 3.461 10.974 1.00 1.10 C ATOM 235 C ALA A 16 4.708 3.197 10.265 1.00 0.95 C ATOM 236 O ALA A 16 4.352 2.036 10.045 1.00 1.04 O ATOM 237 CB ALA A 16 6.071 2.893 12.399 1.00 1.55 C ATOM 0 H ALA A 16 6.557 5.197 12.023 1.00 1.47 H new ATOM 0 HA ALA A 16 6.776 2.952 10.330 1.00 1.10 H new ATOM 0 HB1 ALA A 16 5.776 1.844 12.375 1.00 1.55 H new ATOM 0 HB2 ALA A 16 7.074 2.978 12.816 1.00 1.55 H new ATOM 0 HB3 ALA A 16 5.371 3.453 13.020 1.00 1.55 H new ATOM 243 N CYS A 17 3.982 4.247 9.850 1.00 1.07 N ATOM 244 CA CYS A 17 2.750 4.223 9.074 1.00 1.23 C ATOM 245 C CYS A 17 2.764 3.224 7.910 1.00 1.13 C ATOM 246 O CYS A 17 1.737 2.609 7.671 1.00 1.26 O ATOM 247 CB CYS A 17 2.496 5.647 8.555 1.00 1.57 C ATOM 248 SG CYS A 17 2.462 6.858 9.904 1.00 2.11 S ATOM 0 H CYS A 17 4.269 5.201 10.069 1.00 1.07 H new ATOM 0 HA CYS A 17 1.948 3.884 9.729 1.00 1.23 H new ATOM 0 HB2 CYS A 17 3.275 5.919 7.842 1.00 1.57 H new ATOM 0 HB3 CYS A 17 1.548 5.675 8.018 1.00 1.57 H new ATOM 0 HG CYS A 17 2.460 8.060 9.408 1.00 2.11 H new ATOM 254 N ALA A 18 3.902 3.010 7.236 1.00 1.05 N ATOM 255 CA ALA A 18 4.048 2.003 6.175 1.00 1.02 C ATOM 256 C ALA A 18 3.672 0.581 6.635 1.00 0.88 C ATOM 257 O ALA A 18 2.932 -0.125 5.960 1.00 0.96 O ATOM 258 CB ALA A 18 5.492 2.047 5.674 1.00 1.10 C ATOM 0 H ALA A 18 4.757 3.537 7.414 1.00 1.05 H new ATOM 0 HA ALA A 18 3.351 2.245 5.372 1.00 1.02 H new ATOM 0 HB1 ALA A 18 5.626 1.307 4.885 1.00 1.10 H new ATOM 0 HB2 ALA A 18 5.711 3.040 5.282 1.00 1.10 H new ATOM 0 HB3 ALA A 18 6.170 1.825 6.498 1.00 1.10 H new ATOM 264 N SER A 19 4.082 0.184 7.838 1.00 0.94 N ATOM 265 CA SER A 19 3.674 -1.112 8.412 1.00 0.99 C ATOM 266 C SER A 19 2.176 -1.119 8.782 1.00 0.86 C ATOM 267 O SER A 19 1.503 -2.143 8.716 1.00 0.83 O ATOM 268 CB SER A 19 4.570 -1.426 9.620 1.00 1.41 C ATOM 269 OG SER A 19 4.450 -2.781 10.012 1.00 2.37 O ATOM 0 H SER A 19 4.695 0.735 8.439 1.00 0.94 H new ATOM 0 HA SER A 19 3.804 -1.896 7.666 1.00 0.99 H new ATOM 0 HB2 SER A 19 5.609 -1.208 9.371 1.00 1.41 H new ATOM 0 HB3 SER A 19 4.299 -0.779 10.454 1.00 1.41 H new ATOM 0 HG SER A 19 5.032 -2.952 10.781 1.00 2.37 H new ATOM 275 N SER A 20 1.599 0.050 9.073 1.00 0.93 N ATOM 276 CA SER A 20 0.146 0.232 9.170 1.00 1.03 C ATOM 277 C SER A 20 -0.568 0.299 7.803 1.00 0.85 C ATOM 278 O SER A 20 -1.796 0.304 7.778 1.00 0.93 O ATOM 279 CB SER A 20 -0.168 1.470 10.029 1.00 1.33 C ATOM 280 OG SER A 20 -1.409 1.342 10.713 1.00 1.91 O ATOM 0 H SER A 20 2.129 0.903 9.249 1.00 0.93 H new ATOM 0 HA SER A 20 -0.252 -0.659 9.655 1.00 1.03 H new ATOM 0 HB2 SER A 20 0.632 1.621 10.754 1.00 1.33 H new ATOM 0 HB3 SER A 20 -0.194 2.355 9.394 1.00 1.33 H new ATOM 0 HG SER A 20 -1.572 2.147 11.248 1.00 1.91 H new ATOM 286 N ILE A 21 0.140 0.349 6.665 1.00 0.72 N ATOM 287 CA ILE A 21 -0.449 0.076 5.340 1.00 0.71 C ATOM 288 C ILE A 21 -0.631 -1.437 5.228 1.00 0.73 C ATOM 289 O ILE A 21 -1.766 -1.905 5.251 1.00 0.85 O ATOM 290 CB ILE A 21 0.386 0.671 4.172 1.00 0.64 C ATOM 291 CG1 ILE A 21 0.621 2.186 4.360 1.00 0.64 C ATOM 292 CG2 ILE A 21 -0.313 0.373 2.837 1.00 0.67 C ATOM 293 CD1 ILE A 21 1.471 2.841 3.264 1.00 0.71 C ATOM 0 H ILE A 21 1.133 0.579 6.634 1.00 0.72 H new ATOM 0 HA ILE A 21 -1.414 0.575 5.254 1.00 0.71 H new ATOM 0 HB ILE A 21 1.368 0.199 4.167 1.00 0.64 H new ATOM 0 HG12 ILE A 21 -0.346 2.688 4.401 1.00 0.64 H new ATOM 0 HG13 ILE A 21 1.105 2.349 5.323 1.00 0.64 H new ATOM 0 HG21 ILE A 21 0.273 0.791 2.018 1.00 0.67 H new ATOM 0 HG22 ILE A 21 -0.403 -0.705 2.706 1.00 0.67 H new ATOM 0 HG23 ILE A 21 -1.306 0.822 2.838 1.00 0.67 H new ATOM 0 HD11 ILE A 21 1.584 3.904 3.478 1.00 0.71 H new ATOM 0 HD12 ILE A 21 2.454 2.370 3.236 1.00 0.71 H new ATOM 0 HD13 ILE A 21 0.980 2.715 2.299 1.00 0.71 H new ATOM 305 N GLU A 22 0.477 -2.188 5.258 1.00 0.64 N ATOM 306 CA GLU A 22 0.521 -3.661 5.232 1.00 0.73 C ATOM 307 C GLU A 22 -0.552 -4.280 6.151 1.00 0.78 C ATOM 308 O GLU A 22 -1.435 -5.018 5.708 1.00 0.86 O ATOM 309 CB GLU A 22 1.914 -4.143 5.710 1.00 0.74 C ATOM 310 CG GLU A 22 3.144 -3.638 4.936 1.00 0.87 C ATOM 311 CD GLU A 22 3.519 -4.549 3.774 1.00 1.23 C ATOM 312 OE1 GLU A 22 2.651 -4.766 2.909 1.00 2.74 O ATOM 313 OE2 GLU A 22 4.681 -5.014 3.725 1.00 1.89 O ATOM 0 H GLU A 22 1.407 -1.772 5.303 1.00 0.64 H new ATOM 0 HA GLU A 22 0.328 -3.980 4.208 1.00 0.73 H new ATOM 0 HB2 GLU A 22 2.031 -3.852 6.754 1.00 0.74 H new ATOM 0 HB3 GLU A 22 1.922 -5.233 5.680 1.00 0.74 H new ATOM 0 HG2 GLU A 22 2.944 -2.636 4.557 1.00 0.87 H new ATOM 0 HG3 GLU A 22 3.990 -3.558 5.618 1.00 0.87 H new ATOM 320 N ARG A 23 -0.496 -3.928 7.445 1.00 0.81 N ATOM 321 CA ARG A 23 -1.331 -4.477 8.517 1.00 0.98 C ATOM 322 C ARG A 23 -2.783 -3.973 8.505 1.00 1.00 C ATOM 323 O ARG A 23 -3.636 -4.591 9.148 1.00 1.12 O ATOM 324 CB ARG A 23 -0.652 -4.150 9.861 1.00 1.09 C ATOM 325 CG ARG A 23 -1.051 -5.084 11.014 1.00 1.45 C ATOM 326 CD ARG A 23 -0.376 -6.458 10.881 1.00 2.24 C ATOM 327 NE ARG A 23 -0.831 -7.406 11.917 1.00 2.64 N ATOM 328 CZ ARG A 23 -0.388 -7.529 13.163 1.00 2.72 C ATOM 329 NH1 ARG A 23 0.547 -6.754 13.676 1.00 3.23 N ATOM 330 NH2 ARG A 23 -0.895 -8.470 13.929 1.00 3.11 N ATOM 0 H ARG A 23 0.160 -3.224 7.783 1.00 0.81 H new ATOM 0 HA ARG A 23 -1.408 -5.553 8.361 1.00 0.98 H new ATOM 0 HB2 ARG A 23 0.429 -4.196 9.729 1.00 1.09 H new ATOM 0 HB3 ARG A 23 -0.896 -3.125 10.138 1.00 1.09 H new ATOM 0 HG2 ARG A 23 -0.772 -4.630 11.965 1.00 1.45 H new ATOM 0 HG3 ARG A 23 -2.134 -5.208 11.026 1.00 1.45 H new ATOM 0 HD2 ARG A 23 -0.588 -6.871 9.895 1.00 2.24 H new ATOM 0 HD3 ARG A 23 0.705 -6.338 10.951 1.00 2.24 H new ATOM 0 HE ARG A 23 -1.577 -8.045 11.642 1.00 2.64 H new ATOM 0 HH11 ARG A 23 0.966 -6.017 13.109 1.00 3.23 H new ATOM 0 HH12 ARG A 23 0.851 -6.891 14.640 1.00 3.23 H new ATOM 0 HH21 ARG A 23 -1.617 -9.091 13.564 1.00 3.11 H new ATOM 0 HH22 ARG A 23 -0.566 -8.579 14.888 1.00 3.11 H new ATOM 344 N ALA A 24 -3.078 -2.849 7.843 1.00 0.94 N ATOM 345 CA ALA A 24 -4.459 -2.405 7.634 1.00 1.02 C ATOM 346 C ALA A 24 -5.072 -3.045 6.385 1.00 0.92 C ATOM 347 O ALA A 24 -6.221 -3.481 6.441 1.00 1.01 O ATOM 348 CB ALA A 24 -4.527 -0.876 7.546 1.00 1.06 C ATOM 0 H ALA A 24 -2.375 -2.228 7.442 1.00 0.94 H new ATOM 0 HA ALA A 24 -5.045 -2.730 8.494 1.00 1.02 H new ATOM 0 HB1 ALA A 24 -5.560 -0.566 7.391 1.00 1.06 H new ATOM 0 HB2 ALA A 24 -4.153 -0.441 8.473 1.00 1.06 H new ATOM 0 HB3 ALA A 24 -3.916 -0.532 6.712 1.00 1.06 H new ATOM 354 N ILE A 25 -4.318 -3.162 5.285 1.00 0.77 N ATOM 355 CA ILE A 25 -4.815 -3.823 4.071 1.00 0.71 C ATOM 356 C ILE A 25 -4.981 -5.324 4.325 1.00 0.75 C ATOM 357 O ILE A 25 -5.956 -5.891 3.849 1.00 0.79 O ATOM 358 CB ILE A 25 -3.993 -3.485 2.805 1.00 0.68 C ATOM 359 CG1 ILE A 25 -3.856 -1.957 2.595 1.00 0.68 C ATOM 360 CG2 ILE A 25 -4.736 -4.084 1.592 1.00 0.99 C ATOM 361 CD1 ILE A 25 -2.868 -1.578 1.484 1.00 0.92 C ATOM 0 H ILE A 25 -3.364 -2.809 5.210 1.00 0.77 H new ATOM 0 HA ILE A 25 -5.802 -3.419 3.846 1.00 0.71 H new ATOM 0 HB ILE A 25 -2.990 -3.897 2.917 1.00 0.68 H new ATOM 0 HG12 ILE A 25 -4.835 -1.542 2.357 1.00 0.68 H new ATOM 0 HG13 ILE A 25 -3.534 -1.497 3.529 1.00 0.68 H new ATOM 0 HG21 ILE A 25 -4.181 -3.863 0.680 1.00 0.99 H new ATOM 0 HG22 ILE A 25 -4.819 -5.164 1.713 1.00 0.99 H new ATOM 0 HG23 ILE A 25 -5.733 -3.649 1.525 1.00 0.99 H new ATOM 0 HD11 ILE A 25 -2.822 -0.493 1.392 1.00 0.92 H new ATOM 0 HD12 ILE A 25 -1.878 -1.963 1.730 1.00 0.92 H new ATOM 0 HD13 ILE A 25 -3.200 -2.008 0.539 1.00 0.92 H new ATOM 373 N ALA A 26 -4.210 -5.921 5.238 1.00 0.80 N ATOM 374 CA ALA A 26 -4.490 -7.240 5.832 1.00 0.82 C ATOM 375 C ALA A 26 -5.887 -7.396 6.498 1.00 0.84 C ATOM 376 O ALA A 26 -6.219 -8.473 6.984 1.00 0.91 O ATOM 377 CB ALA A 26 -3.357 -7.569 6.810 1.00 1.00 C ATOM 0 H ALA A 26 -3.355 -5.495 5.595 1.00 0.80 H new ATOM 0 HA ALA A 26 -4.529 -7.957 5.012 1.00 0.82 H new ATOM 0 HB1 ALA A 26 -3.540 -8.543 7.265 1.00 1.00 H new ATOM 0 HB2 ALA A 26 -2.408 -7.592 6.274 1.00 1.00 H new ATOM 0 HB3 ALA A 26 -3.315 -6.807 7.588 1.00 1.00 H new ATOM 383 N LYS A 27 -6.715 -6.342 6.536 1.00 0.86 N ATOM 384 CA LYS A 27 -8.143 -6.381 6.893 1.00 0.92 C ATOM 385 C LYS A 27 -9.106 -6.026 5.734 1.00 0.78 C ATOM 386 O LYS A 27 -10.318 -6.053 5.937 1.00 0.85 O ATOM 387 CB LYS A 27 -8.400 -5.430 8.061 1.00 1.25 C ATOM 388 CG LYS A 27 -7.468 -5.668 9.256 1.00 1.52 C ATOM 389 CD LYS A 27 -8.083 -4.947 10.452 1.00 1.73 C ATOM 390 CE LYS A 27 -7.033 -4.642 11.521 1.00 2.24 C ATOM 391 NZ LYS A 27 -7.633 -3.883 12.647 1.00 3.27 N ATOM 0 H LYS A 27 -6.396 -5.400 6.310 1.00 0.86 H new ATOM 0 HA LYS A 27 -8.355 -7.416 7.160 1.00 0.92 H new ATOM 0 HB2 LYS A 27 -8.282 -4.403 7.716 1.00 1.25 H new ATOM 0 HB3 LYS A 27 -9.434 -5.539 8.388 1.00 1.25 H new ATOM 0 HG2 LYS A 27 -7.366 -6.734 9.459 1.00 1.52 H new ATOM 0 HG3 LYS A 27 -6.469 -5.286 9.048 1.00 1.52 H new ATOM 0 HD2 LYS A 27 -8.546 -4.018 10.120 1.00 1.73 H new ATOM 0 HD3 LYS A 27 -8.874 -5.562 10.882 1.00 1.73 H new ATOM 0 HE2 LYS A 27 -6.604 -5.573 11.892 1.00 2.24 H new ATOM 0 HE3 LYS A 27 -6.217 -4.067 11.083 1.00 2.24 H new ATOM 0 HZ1 LYS A 27 -6.903 -3.687 13.361 1.00 3.27 H new ATOM 0 HZ2 LYS A 27 -8.021 -2.986 12.293 1.00 3.27 H new ATOM 0 HZ3 LYS A 27 -8.396 -4.445 13.077 1.00 3.27 H new ATOM 405 N VAL A 28 -8.611 -5.645 4.554 1.00 0.69 N ATOM 406 CA VAL A 28 -9.429 -5.190 3.416 1.00 0.77 C ATOM 407 C VAL A 28 -9.967 -6.426 2.696 1.00 0.73 C ATOM 408 O VAL A 28 -9.166 -7.302 2.367 1.00 0.62 O ATOM 409 CB VAL A 28 -8.611 -4.290 2.455 1.00 0.85 C ATOM 410 CG1 VAL A 28 -9.282 -4.045 1.091 1.00 1.11 C ATOM 411 CG2 VAL A 28 -8.370 -2.923 3.116 1.00 1.25 C ATOM 0 H VAL A 28 -7.611 -5.642 4.354 1.00 0.69 H new ATOM 0 HA VAL A 28 -10.258 -4.581 3.777 1.00 0.77 H new ATOM 0 HB VAL A 28 -7.682 -4.828 2.266 1.00 0.85 H new ATOM 0 HG11 VAL A 28 -8.643 -3.406 0.481 1.00 1.11 H new ATOM 0 HG12 VAL A 28 -9.433 -4.998 0.584 1.00 1.11 H new ATOM 0 HG13 VAL A 28 -10.245 -3.557 1.242 1.00 1.11 H new ATOM 0 HG21 VAL A 28 -7.795 -2.289 2.441 1.00 1.25 H new ATOM 0 HG22 VAL A 28 -9.328 -2.449 3.331 1.00 1.25 H new ATOM 0 HG23 VAL A 28 -7.816 -3.061 4.045 1.00 1.25 H new ATOM 421 N PRO A 29 -11.279 -6.518 2.406 1.00 0.98 N ATOM 422 CA PRO A 29 -11.892 -7.754 1.926 1.00 1.14 C ATOM 423 C PRO A 29 -11.386 -8.223 0.552 1.00 1.30 C ATOM 424 O PRO A 29 -11.575 -9.388 0.219 1.00 2.19 O ATOM 425 CB PRO A 29 -13.404 -7.504 1.953 1.00 1.46 C ATOM 426 CG PRO A 29 -13.523 -5.984 1.857 1.00 1.55 C ATOM 427 CD PRO A 29 -12.305 -5.513 2.644 1.00 1.23 C ATOM 0 HA PRO A 29 -11.611 -8.586 2.572 1.00 1.14 H new ATOM 0 HB2 PRO A 29 -13.906 -7.998 1.121 1.00 1.46 H new ATOM 0 HB3 PRO A 29 -13.856 -7.884 2.869 1.00 1.46 H new ATOM 0 HG2 PRO A 29 -13.498 -5.639 0.824 1.00 1.55 H new ATOM 0 HG3 PRO A 29 -14.454 -5.621 2.292 1.00 1.55 H new ATOM 0 HD2 PRO A 29 -11.977 -4.529 2.308 1.00 1.23 H new ATOM 0 HD3 PRO A 29 -12.533 -5.428 3.707 1.00 1.23 H new ATOM 435 N GLY A 30 -10.691 -7.374 -0.220 1.00 1.51 N ATOM 436 CA GLY A 30 -10.017 -7.788 -1.454 1.00 1.65 C ATOM 437 C GLY A 30 -8.622 -8.403 -1.273 1.00 1.14 C ATOM 438 O GLY A 30 -8.147 -9.018 -2.222 1.00 1.12 O ATOM 0 H GLY A 30 -10.582 -6.383 -0.004 1.00 1.51 H new ATOM 0 HA2 GLY A 30 -10.650 -8.512 -1.967 1.00 1.65 H new ATOM 0 HA3 GLY A 30 -9.930 -6.920 -2.108 1.00 1.65 H new ATOM 442 N VAL A 31 -7.964 -8.241 -0.116 1.00 0.88 N ATOM 443 CA VAL A 31 -6.536 -8.585 0.111 1.00 0.73 C ATOM 444 C VAL A 31 -6.255 -10.078 -0.128 1.00 0.91 C ATOM 445 O VAL A 31 -7.031 -10.950 0.263 1.00 1.41 O ATOM 446 CB VAL A 31 -6.060 -8.158 1.521 1.00 0.60 C ATOM 447 CG1 VAL A 31 -6.529 -9.078 2.665 1.00 0.94 C ATOM 448 CG2 VAL A 31 -4.526 -8.044 1.571 1.00 0.77 C ATOM 0 H VAL A 31 -8.414 -7.858 0.715 1.00 0.88 H new ATOM 0 HA VAL A 31 -5.962 -8.020 -0.624 1.00 0.73 H new ATOM 0 HB VAL A 31 -6.528 -7.187 1.686 1.00 0.60 H new ATOM 0 HG11 VAL A 31 -6.148 -8.701 3.614 1.00 0.94 H new ATOM 0 HG12 VAL A 31 -7.618 -9.097 2.693 1.00 0.94 H new ATOM 0 HG13 VAL A 31 -6.152 -10.087 2.498 1.00 0.94 H new ATOM 0 HG21 VAL A 31 -4.216 -7.743 2.572 1.00 0.77 H new ATOM 0 HG22 VAL A 31 -4.081 -9.009 1.328 1.00 0.77 H new ATOM 0 HG23 VAL A 31 -4.193 -7.299 0.848 1.00 0.77 H new ATOM 458 N GLN A 32 -5.105 -10.372 -0.733 1.00 0.62 N ATOM 459 CA GLN A 32 -4.592 -11.733 -0.916 1.00 0.73 C ATOM 460 C GLN A 32 -3.077 -11.852 -0.654 1.00 0.72 C ATOM 461 O GLN A 32 -2.572 -12.972 -0.647 1.00 0.97 O ATOM 462 CB GLN A 32 -5.031 -12.278 -2.294 1.00 1.01 C ATOM 463 CG GLN A 32 -4.474 -11.510 -3.508 1.00 1.01 C ATOM 464 CD GLN A 32 -3.349 -12.208 -4.275 1.00 1.36 C ATOM 465 OE1 GLN A 32 -3.310 -12.180 -5.501 1.00 1.85 O ATOM 466 NE2 GLN A 32 -2.394 -12.838 -3.620 1.00 1.48 N ATOM 0 H GLN A 32 -4.489 -9.656 -1.119 1.00 0.62 H new ATOM 0 HA GLN A 32 -5.038 -12.371 -0.153 1.00 0.73 H new ATOM 0 HB2 GLN A 32 -4.722 -13.321 -2.370 1.00 1.01 H new ATOM 0 HB3 GLN A 32 -6.120 -12.264 -2.343 1.00 1.01 H new ATOM 0 HG2 GLN A 32 -5.294 -11.316 -4.199 1.00 1.01 H new ATOM 0 HG3 GLN A 32 -4.109 -10.541 -3.166 1.00 1.01 H new ATOM 0 HE21 GLN A 32 -2.411 -12.871 -2.601 1.00 1.48 H new ATOM 0 HE22 GLN A 32 -1.638 -13.292 -4.133 1.00 1.48 H new ATOM 475 N SER A 33 -2.352 -10.747 -0.419 1.00 0.59 N ATOM 476 CA SER A 33 -0.932 -10.668 -0.007 1.00 0.70 C ATOM 477 C SER A 33 -0.413 -9.230 -0.104 1.00 0.56 C ATOM 478 O SER A 33 -0.728 -8.539 -1.075 1.00 0.59 O ATOM 479 CB SER A 33 0.006 -11.570 -0.830 1.00 1.13 C ATOM 480 OG SER A 33 -0.004 -12.880 -0.310 1.00 1.91 O ATOM 0 H SER A 33 -2.766 -9.820 -0.517 1.00 0.59 H new ATOM 0 HA SER A 33 -0.919 -11.021 1.024 1.00 0.70 H new ATOM 0 HB2 SER A 33 -0.310 -11.582 -1.873 1.00 1.13 H new ATOM 0 HB3 SER A 33 1.020 -11.170 -0.809 1.00 1.13 H new ATOM 0 HG SER A 33 -0.924 -13.217 -0.290 1.00 1.91 H new ATOM 486 N CYS A 34 0.419 -8.817 0.858 1.00 0.64 N ATOM 487 CA CYS A 34 1.075 -7.505 0.925 1.00 0.56 C ATOM 488 C CYS A 34 2.619 -7.662 0.966 1.00 0.66 C ATOM 489 O CYS A 34 3.090 -8.780 1.202 1.00 1.26 O ATOM 490 CB CYS A 34 0.557 -6.751 2.172 1.00 0.71 C ATOM 491 SG CYS A 34 -1.207 -6.991 2.554 1.00 1.07 S ATOM 0 H CYS A 34 0.665 -9.415 1.647 1.00 0.64 H new ATOM 0 HA CYS A 34 0.833 -6.929 0.031 1.00 0.56 H new ATOM 0 HB2 CYS A 34 1.144 -7.065 3.035 1.00 0.71 H new ATOM 0 HB3 CYS A 34 0.739 -5.685 2.033 1.00 0.71 H new ATOM 0 HG CYS A 34 -1.517 -6.312 3.618 1.00 1.07 H new ATOM 497 N GLN A 35 3.374 -6.575 0.752 1.00 0.36 N ATOM 498 CA GLN A 35 4.827 -6.414 0.890 1.00 0.41 C ATOM 499 C GLN A 35 5.240 -4.976 0.514 1.00 0.38 C ATOM 500 O GLN A 35 4.999 -4.548 -0.614 1.00 0.46 O ATOM 501 CB GLN A 35 5.579 -7.440 0.017 1.00 0.52 C ATOM 502 CG GLN A 35 6.121 -8.629 0.824 1.00 0.99 C ATOM 503 CD GLN A 35 6.099 -9.927 0.018 1.00 1.64 C ATOM 504 OE1 GLN A 35 7.111 -10.455 -0.416 1.00 2.64 O ATOM 505 NE2 GLN A 35 4.934 -10.492 -0.220 1.00 1.71 N ATOM 0 H GLN A 35 2.940 -5.703 0.449 1.00 0.36 H new ATOM 0 HA GLN A 35 5.097 -6.595 1.930 1.00 0.41 H new ATOM 0 HB2 GLN A 35 4.909 -7.810 -0.759 1.00 0.52 H new ATOM 0 HB3 GLN A 35 6.407 -6.942 -0.488 1.00 0.52 H new ATOM 0 HG2 GLN A 35 7.142 -8.417 1.141 1.00 0.99 H new ATOM 0 HG3 GLN A 35 5.526 -8.754 1.729 1.00 0.99 H new ATOM 0 HE21 GLN A 35 4.078 -10.065 0.135 1.00 1.71 H new ATOM 0 HE22 GLN A 35 4.887 -11.357 -0.759 1.00 1.71 H new ATOM 514 N VAL A 36 5.901 -4.245 1.416 1.00 0.39 N ATOM 515 CA VAL A 36 6.464 -2.896 1.215 1.00 0.37 C ATOM 516 C VAL A 36 7.950 -2.847 1.601 1.00 0.39 C ATOM 517 O VAL A 36 8.374 -3.459 2.583 1.00 0.50 O ATOM 518 CB VAL A 36 5.647 -1.820 1.978 1.00 0.56 C ATOM 519 CG1 VAL A 36 5.912 -1.753 3.496 1.00 1.50 C ATOM 520 CG2 VAL A 36 5.911 -0.420 1.405 1.00 1.22 C ATOM 0 H VAL A 36 6.070 -4.593 2.360 1.00 0.39 H new ATOM 0 HA VAL A 36 6.392 -2.668 0.152 1.00 0.37 H new ATOM 0 HB VAL A 36 4.612 -2.131 1.836 1.00 0.56 H new ATOM 0 HG11 VAL A 36 5.295 -0.971 3.939 1.00 1.50 H new ATOM 0 HG12 VAL A 36 5.665 -2.712 3.951 1.00 1.50 H new ATOM 0 HG13 VAL A 36 6.964 -1.528 3.672 1.00 1.50 H new ATOM 0 HG21 VAL A 36 5.326 0.315 1.958 1.00 1.22 H new ATOM 0 HG22 VAL A 36 6.971 -0.183 1.496 1.00 1.22 H new ATOM 0 HG23 VAL A 36 5.623 -0.397 0.354 1.00 1.22 H new ATOM 530 N ASN A 37 8.741 -2.099 0.831 1.00 0.47 N ATOM 531 CA ASN A 37 10.194 -2.008 0.945 1.00 0.53 C ATOM 532 C ASN A 37 10.630 -0.591 1.355 1.00 0.58 C ATOM 533 O ASN A 37 10.883 0.278 0.517 1.00 0.62 O ATOM 534 CB ASN A 37 10.799 -2.459 -0.393 1.00 0.64 C ATOM 535 CG ASN A 37 12.315 -2.619 -0.357 1.00 0.86 C ATOM 536 OD1 ASN A 37 13.038 -1.855 0.268 1.00 0.92 O ATOM 537 ND2 ASN A 37 12.843 -3.605 -1.054 1.00 1.36 N ATOM 0 H ASN A 37 8.370 -1.517 0.080 1.00 0.47 H new ATOM 0 HA ASN A 37 10.562 -2.662 1.735 1.00 0.53 H new ATOM 0 HB2 ASN A 37 10.349 -3.408 -0.683 1.00 0.64 H new ATOM 0 HB3 ASN A 37 10.537 -1.733 -1.163 1.00 0.64 H new ATOM 0 HD21 ASN A 37 13.855 -3.732 -1.073 1.00 1.36 H new ATOM 0 HD22 ASN A 37 12.240 -4.242 -1.575 1.00 1.36 H new ATOM 544 N PHE A 38 10.790 -0.381 2.668 1.00 0.62 N ATOM 545 CA PHE A 38 11.254 0.874 3.283 1.00 0.65 C ATOM 546 C PHE A 38 12.785 1.057 3.118 1.00 0.64 C ATOM 547 O PHE A 38 13.519 1.215 4.089 1.00 0.84 O ATOM 548 CB PHE A 38 10.759 0.918 4.748 1.00 0.76 C ATOM 549 CG PHE A 38 10.391 2.292 5.297 1.00 1.10 C ATOM 550 CD1 PHE A 38 11.340 3.330 5.388 1.00 2.41 C ATOM 551 CD2 PHE A 38 9.076 2.529 5.746 1.00 2.24 C ATOM 552 CE1 PHE A 38 10.975 4.584 5.912 1.00 3.01 C ATOM 553 CE2 PHE A 38 8.710 3.782 6.272 1.00 2.72 C ATOM 554 CZ PHE A 38 9.661 4.812 6.354 1.00 2.63 C ATOM 0 H PHE A 38 10.593 -1.106 3.358 1.00 0.62 H new ATOM 0 HA PHE A 38 10.825 1.734 2.768 1.00 0.65 H new ATOM 0 HB2 PHE A 38 9.886 0.271 4.834 1.00 0.76 H new ATOM 0 HB3 PHE A 38 11.535 0.492 5.384 1.00 0.76 H new ATOM 0 HD1 PHE A 38 12.353 3.162 5.054 1.00 2.41 H new ATOM 0 HD2 PHE A 38 8.341 1.740 5.686 1.00 2.24 H new ATOM 0 HE1 PHE A 38 11.708 5.375 5.975 1.00 3.01 H new ATOM 0 HE2 PHE A 38 7.699 3.951 6.612 1.00 2.72 H new ATOM 0 HZ PHE A 38 9.383 5.776 6.755 1.00 2.63 H new ATOM 564 N ALA A 39 13.267 0.995 1.873 1.00 0.65 N ATOM 565 CA ALA A 39 14.663 1.205 1.466 1.00 0.65 C ATOM 566 C ALA A 39 14.792 1.434 -0.052 1.00 0.63 C ATOM 567 O ALA A 39 15.634 2.212 -0.485 1.00 0.78 O ATOM 568 CB ALA A 39 15.519 0.011 1.919 1.00 0.69 C ATOM 0 H ALA A 39 12.663 0.786 1.078 1.00 0.65 H new ATOM 0 HA ALA A 39 15.027 2.110 1.952 1.00 0.65 H new ATOM 0 HB1 ALA A 39 16.554 0.169 1.616 1.00 0.69 H new ATOM 0 HB2 ALA A 39 15.469 -0.082 3.004 1.00 0.69 H new ATOM 0 HB3 ALA A 39 15.142 -0.902 1.459 1.00 0.69 H new ATOM 574 N LEU A 40 13.936 0.789 -0.857 1.00 0.56 N ATOM 575 CA LEU A 40 13.906 0.860 -2.311 1.00 0.54 C ATOM 576 C LEU A 40 12.472 1.228 -2.804 1.00 0.47 C ATOM 577 O LEU A 40 12.084 0.952 -3.934 1.00 0.54 O ATOM 578 CB LEU A 40 14.541 -0.493 -2.727 1.00 0.59 C ATOM 579 CG LEU A 40 14.251 -1.033 -4.118 1.00 0.60 C ATOM 580 CD1 LEU A 40 14.751 -0.114 -5.245 1.00 0.64 C ATOM 581 CD2 LEU A 40 14.863 -2.432 -4.292 1.00 0.71 C ATOM 0 H LEU A 40 13.212 0.174 -0.485 1.00 0.56 H new ATOM 0 HA LEU A 40 14.474 1.656 -2.793 1.00 0.54 H new ATOM 0 HB2 LEU A 40 15.622 -0.396 -2.628 1.00 0.59 H new ATOM 0 HB3 LEU A 40 14.221 -1.245 -2.006 1.00 0.59 H new ATOM 0 HG LEU A 40 13.165 -1.084 -4.200 1.00 0.60 H new ATOM 0 HD11 LEU A 40 14.512 -0.559 -6.211 1.00 0.64 H new ATOM 0 HD12 LEU A 40 14.266 0.859 -5.164 1.00 0.64 H new ATOM 0 HD13 LEU A 40 15.831 0.011 -5.161 1.00 0.64 H new ATOM 0 HD21 LEU A 40 14.645 -2.802 -5.294 1.00 0.71 H new ATOM 0 HD22 LEU A 40 15.943 -2.377 -4.152 1.00 0.71 H new ATOM 0 HD23 LEU A 40 14.436 -3.110 -3.553 1.00 0.71 H new ATOM 593 N GLU A 41 11.666 1.842 -1.933 1.00 0.49 N ATOM 594 CA GLU A 41 10.359 2.479 -2.190 1.00 0.48 C ATOM 595 C GLU A 41 9.221 1.558 -2.661 1.00 0.34 C ATOM 596 O GLU A 41 8.080 2.011 -2.649 1.00 0.36 O ATOM 597 CB GLU A 41 10.472 3.634 -3.204 1.00 0.68 C ATOM 598 CG GLU A 41 11.130 4.912 -2.669 1.00 0.94 C ATOM 599 CD GLU A 41 10.938 6.068 -3.659 1.00 1.22 C ATOM 600 OE1 GLU A 41 10.769 5.772 -4.867 1.00 2.03 O ATOM 601 OE2 GLU A 41 10.947 7.233 -3.209 1.00 2.07 O ATOM 0 H GLU A 41 11.926 1.916 -0.949 1.00 0.49 H new ATOM 0 HA GLU A 41 10.084 2.832 -1.196 1.00 0.48 H new ATOM 0 HB2 GLU A 41 11.041 3.285 -4.066 1.00 0.68 H new ATOM 0 HB3 GLU A 41 9.472 3.882 -3.561 1.00 0.68 H new ATOM 0 HG2 GLU A 41 10.696 5.175 -1.704 1.00 0.94 H new ATOM 0 HG3 GLU A 41 12.193 4.739 -2.504 1.00 0.94 H new ATOM 608 N GLN A 42 9.453 0.322 -3.129 1.00 0.33 N ATOM 609 CA GLN A 42 8.336 -0.427 -3.717 1.00 0.31 C ATOM 610 C GLN A 42 7.265 -0.819 -2.696 1.00 0.29 C ATOM 611 O GLN A 42 7.559 -1.087 -1.533 1.00 0.34 O ATOM 612 CB GLN A 42 8.741 -1.652 -4.552 1.00 0.34 C ATOM 613 CG GLN A 42 9.064 -2.960 -3.769 1.00 0.39 C ATOM 614 CD GLN A 42 10.510 -3.446 -3.828 1.00 0.44 C ATOM 615 OE1 GLN A 42 10.924 -4.311 -3.077 1.00 1.14 O ATOM 616 NE2 GLN A 42 11.373 -2.947 -4.686 1.00 0.89 N ATOM 0 H GLN A 42 10.353 -0.158 -3.115 1.00 0.33 H new ATOM 0 HA GLN A 42 7.905 0.293 -4.412 1.00 0.31 H new ATOM 0 HB2 GLN A 42 7.935 -1.866 -5.254 1.00 0.34 H new ATOM 0 HB3 GLN A 42 9.617 -1.385 -5.144 1.00 0.34 H new ATOM 0 HG2 GLN A 42 8.797 -2.807 -2.723 1.00 0.39 H new ATOM 0 HG3 GLN A 42 8.421 -3.754 -4.149 1.00 0.39 H new ATOM 0 HE21 GLN A 42 11.081 -2.220 -5.339 1.00 0.89 H new ATOM 0 HE22 GLN A 42 12.335 -3.287 -4.699 1.00 0.89 H new ATOM 625 N ALA A 43 6.043 -0.991 -3.193 1.00 0.33 N ATOM 626 CA ALA A 43 5.024 -1.836 -2.596 1.00 0.33 C ATOM 627 C ALA A 43 4.533 -2.871 -3.617 1.00 0.44 C ATOM 628 O ALA A 43 4.508 -2.622 -4.826 1.00 0.72 O ATOM 629 CB ALA A 43 3.874 -0.957 -2.090 1.00 0.39 C ATOM 0 H ALA A 43 5.730 -0.531 -4.048 1.00 0.33 H new ATOM 0 HA ALA A 43 5.442 -2.381 -1.749 1.00 0.33 H new ATOM 0 HB1 ALA A 43 3.106 -1.586 -1.641 1.00 0.39 H new ATOM 0 HB2 ALA A 43 4.252 -0.257 -1.345 1.00 0.39 H new ATOM 0 HB3 ALA A 43 3.446 -0.402 -2.925 1.00 0.39 H new ATOM 635 N VAL A 44 4.083 -4.014 -3.115 1.00 0.34 N ATOM 636 CA VAL A 44 3.177 -4.917 -3.815 1.00 0.40 C ATOM 637 C VAL A 44 2.079 -5.325 -2.847 1.00 0.46 C ATOM 638 O VAL A 44 2.297 -6.103 -1.924 1.00 0.49 O ATOM 639 CB VAL A 44 3.905 -6.116 -4.466 1.00 0.50 C ATOM 640 CG1 VAL A 44 4.677 -7.050 -3.518 1.00 0.58 C ATOM 641 CG2 VAL A 44 2.945 -6.941 -5.340 1.00 0.62 C ATOM 0 H VAL A 44 4.344 -4.347 -2.187 1.00 0.34 H new ATOM 0 HA VAL A 44 2.727 -4.400 -4.663 1.00 0.40 H new ATOM 0 HB VAL A 44 4.674 -5.639 -5.074 1.00 0.50 H new ATOM 0 HG11 VAL A 44 5.142 -7.850 -4.094 1.00 0.58 H new ATOM 0 HG12 VAL A 44 5.448 -6.483 -2.996 1.00 0.58 H new ATOM 0 HG13 VAL A 44 3.988 -7.480 -2.791 1.00 0.58 H new ATOM 0 HG21 VAL A 44 3.485 -7.777 -5.784 1.00 0.62 H new ATOM 0 HG22 VAL A 44 2.129 -7.322 -4.725 1.00 0.62 H new ATOM 0 HG23 VAL A 44 2.539 -6.310 -6.131 1.00 0.62 H new ATOM 651 N VAL A 45 0.881 -4.784 -3.062 1.00 0.85 N ATOM 652 CA VAL A 45 -0.318 -5.323 -2.409 1.00 0.84 C ATOM 653 C VAL A 45 -1.268 -5.789 -3.480 1.00 0.81 C ATOM 654 O VAL A 45 -1.597 -5.089 -4.438 1.00 0.82 O ATOM 655 CB VAL A 45 -1.027 -4.416 -1.382 1.00 0.89 C ATOM 656 CG1 VAL A 45 -2.043 -5.221 -0.561 1.00 0.98 C ATOM 657 CG2 VAL A 45 0.016 -3.798 -0.434 1.00 1.18 C ATOM 0 H VAL A 45 0.712 -3.985 -3.673 1.00 0.85 H new ATOM 0 HA VAL A 45 0.031 -6.145 -1.784 1.00 0.84 H new ATOM 0 HB VAL A 45 -1.554 -3.628 -1.920 1.00 0.89 H new ATOM 0 HG11 VAL A 45 -2.532 -4.564 0.158 1.00 0.98 H new ATOM 0 HG12 VAL A 45 -2.791 -5.651 -1.228 1.00 0.98 H new ATOM 0 HG13 VAL A 45 -1.529 -6.021 -0.029 1.00 0.98 H new ATOM 0 HG21 VAL A 45 -0.486 -3.157 0.291 1.00 1.18 H new ATOM 0 HG22 VAL A 45 0.547 -4.592 0.090 1.00 1.18 H new ATOM 0 HG23 VAL A 45 0.726 -3.206 -1.011 1.00 1.18 H new ATOM 667 N SER A 46 -1.641 -7.036 -3.286 1.00 0.81 N ATOM 668 CA SER A 46 -2.581 -7.783 -4.078 1.00 0.79 C ATOM 669 C SER A 46 -3.902 -7.779 -3.310 1.00 0.52 C ATOM 670 O SER A 46 -3.973 -8.270 -2.182 1.00 0.53 O ATOM 671 CB SER A 46 -1.953 -9.154 -4.360 1.00 1.50 C ATOM 672 OG SER A 46 -1.628 -9.898 -3.205 1.00 3.47 O ATOM 0 H SER A 46 -1.266 -7.589 -2.515 1.00 0.81 H new ATOM 0 HA SER A 46 -2.805 -7.364 -5.059 1.00 0.79 H new ATOM 0 HB2 SER A 46 -2.643 -9.737 -4.970 1.00 1.50 H new ATOM 0 HB3 SER A 46 -1.048 -9.011 -4.951 1.00 1.50 H new ATOM 0 HG SER A 46 -1.031 -9.371 -2.634 1.00 3.47 H new ATOM 678 N TYR A 47 -4.920 -7.118 -3.872 1.00 0.74 N ATOM 679 CA TYR A 47 -6.156 -6.749 -3.167 1.00 0.90 C ATOM 680 C TYR A 47 -7.363 -6.493 -4.084 1.00 1.20 C ATOM 681 O TYR A 47 -8.285 -5.760 -3.735 1.00 1.55 O ATOM 682 CB TYR A 47 -5.942 -5.670 -2.074 1.00 0.97 C ATOM 683 CG TYR A 47 -5.397 -4.275 -2.377 1.00 0.94 C ATOM 684 CD1 TYR A 47 -4.307 -4.078 -3.245 1.00 2.20 C ATOM 685 CD2 TYR A 47 -5.814 -3.197 -1.568 1.00 2.52 C ATOM 686 CE1 TYR A 47 -3.587 -2.870 -3.248 1.00 2.07 C ATOM 687 CE2 TYR A 47 -5.085 -1.990 -1.543 1.00 2.89 C ATOM 688 CZ TYR A 47 -3.928 -1.850 -2.339 1.00 1.51 C ATOM 689 OH TYR A 47 -3.097 -0.781 -2.177 1.00 2.02 O ATOM 0 H TYR A 47 -4.909 -6.818 -4.847 1.00 0.74 H new ATOM 0 HA TYR A 47 -6.441 -7.648 -2.621 1.00 0.90 H new ATOM 0 HB2 TYR A 47 -6.907 -5.526 -1.588 1.00 0.97 H new ATOM 0 HB3 TYR A 47 -5.274 -6.109 -1.333 1.00 0.97 H new ATOM 0 HD1 TYR A 47 -4.018 -4.869 -3.921 1.00 2.20 H new ATOM 0 HD2 TYR A 47 -6.702 -3.297 -0.961 1.00 2.52 H new ATOM 0 HE1 TYR A 47 -2.775 -2.725 -3.945 1.00 2.07 H new ATOM 0 HE2 TYR A 47 -5.412 -1.174 -0.916 1.00 2.89 H new ATOM 0 HH TYR A 47 -2.618 -0.609 -3.015 1.00 2.02 H new ATOM 699 N HIS A 48 -7.343 -7.074 -5.287 1.00 1.43 N ATOM 700 CA HIS A 48 -8.232 -6.694 -6.396 1.00 1.82 C ATOM 701 C HIS A 48 -9.133 -7.845 -6.893 1.00 2.03 C ATOM 702 O HIS A 48 -8.647 -8.889 -7.332 1.00 2.16 O ATOM 703 CB HIS A 48 -7.353 -6.122 -7.514 1.00 2.14 C ATOM 704 CG HIS A 48 -6.535 -4.952 -7.041 1.00 1.86 C ATOM 705 ND1 HIS A 48 -7.044 -3.686 -6.760 1.00 1.55 N ATOM 706 CD2 HIS A 48 -5.222 -4.997 -6.683 1.00 1.89 C ATOM 707 CE1 HIS A 48 -6.020 -2.983 -6.253 1.00 1.44 C ATOM 708 NE2 HIS A 48 -4.911 -3.742 -6.210 1.00 1.70 N ATOM 0 H HIS A 48 -6.702 -7.831 -5.524 1.00 1.43 H new ATOM 0 HA HIS A 48 -8.939 -5.944 -6.042 1.00 1.82 H new ATOM 0 HB2 HIS A 48 -6.689 -6.901 -7.889 1.00 2.14 H new ATOM 0 HB3 HIS A 48 -7.983 -5.811 -8.348 1.00 2.14 H new ATOM 0 HD2 HIS A 48 -4.558 -5.846 -6.755 1.00 1.89 H new ATOM 0 HE1 HIS A 48 -6.078 -1.955 -5.926 1.00 1.44 H new ATOM 0 HE2 HIS A 48 -3.994 -3.439 -5.882 1.00 1.70 H new ATOM 716 N GLY A 49 -10.455 -7.628 -6.860 1.00 2.32 N ATOM 717 CA GLY A 49 -11.501 -8.618 -7.185 1.00 2.56 C ATOM 718 C GLY A 49 -12.778 -8.413 -6.362 1.00 1.63 C ATOM 719 O GLY A 49 -13.881 -8.610 -6.862 1.00 2.41 O ATOM 0 H GLY A 49 -10.845 -6.723 -6.596 1.00 2.32 H new ATOM 0 HA2 GLY A 49 -11.742 -8.553 -8.246 1.00 2.56 H new ATOM 0 HA3 GLY A 49 -11.115 -9.622 -7.007 1.00 2.56 H new ATOM 723 N GLU A 50 -12.614 -7.917 -5.136 1.00 2.13 N ATOM 724 CA GLU A 50 -13.614 -7.099 -4.446 1.00 3.18 C ATOM 725 C GLU A 50 -13.634 -5.704 -5.114 1.00 3.04 C ATOM 726 O GLU A 50 -12.608 -5.273 -5.657 1.00 3.90 O ATOM 727 CB GLU A 50 -13.228 -7.055 -2.952 1.00 4.70 C ATOM 728 CG GLU A 50 -14.391 -6.869 -1.973 1.00 5.31 C ATOM 729 CD GLU A 50 -14.931 -5.448 -1.990 1.00 5.36 C ATOM 730 OE1 GLU A 50 -14.251 -4.558 -1.441 1.00 6.20 O ATOM 731 OE2 GLU A 50 -15.971 -5.250 -2.646 1.00 5.24 O ATOM 0 H GLU A 50 -11.770 -8.074 -4.585 1.00 2.13 H new ATOM 0 HA GLU A 50 -14.622 -7.507 -4.517 1.00 3.18 H new ATOM 0 HB2 GLU A 50 -12.710 -7.981 -2.702 1.00 4.70 H new ATOM 0 HB3 GLU A 50 -12.517 -6.242 -2.803 1.00 4.70 H new ATOM 0 HG2 GLU A 50 -15.192 -7.564 -2.226 1.00 5.31 H new ATOM 0 HG3 GLU A 50 -14.059 -7.118 -0.965 1.00 5.31 H new ATOM 738 N THR A 51 -14.753 -4.966 -5.062 1.00 2.64 N ATOM 739 CA THR A 51 -14.909 -3.618 -5.647 1.00 2.66 C ATOM 740 C THR A 51 -14.244 -2.513 -4.804 1.00 2.95 C ATOM 741 O THR A 51 -14.614 -1.336 -4.873 1.00 3.81 O ATOM 742 CB THR A 51 -16.377 -3.354 -6.009 1.00 2.87 C ATOM 743 OG1 THR A 51 -16.426 -2.138 -6.707 1.00 3.47 O ATOM 744 CG2 THR A 51 -17.336 -3.268 -4.822 1.00 4.04 C ATOM 0 H THR A 51 -15.600 -5.296 -4.600 1.00 2.64 H new ATOM 0 HA THR A 51 -14.353 -3.587 -6.584 1.00 2.66 H new ATOM 0 HB THR A 51 -16.712 -4.209 -6.596 1.00 2.87 H new ATOM 0 HG1 THR A 51 -15.831 -1.489 -6.276 1.00 3.47 H new ATOM 0 HG21 THR A 51 -18.347 -3.079 -5.184 1.00 4.04 H new ATOM 0 HG22 THR A 51 -17.318 -4.208 -4.270 1.00 4.04 H new ATOM 0 HG23 THR A 51 -17.029 -2.455 -4.164 1.00 4.04 H new ATOM 752 N THR A 52 -13.179 -2.876 -4.086 1.00 3.31 N ATOM 753 CA THR A 52 -12.314 -1.997 -3.303 1.00 3.69 C ATOM 754 C THR A 52 -11.319 -1.119 -4.083 1.00 2.52 C ATOM 755 O THR A 52 -10.801 -0.212 -3.441 1.00 3.77 O ATOM 756 CB THR A 52 -11.573 -2.862 -2.266 1.00 5.50 C ATOM 757 OG1 THR A 52 -11.342 -2.099 -1.111 1.00 6.76 O ATOM 758 CG2 THR A 52 -10.254 -3.466 -2.750 1.00 5.86 C ATOM 0 H THR A 52 -12.881 -3.850 -4.034 1.00 3.31 H new ATOM 0 HA THR A 52 -12.977 -1.263 -2.845 1.00 3.69 H new ATOM 0 HB THR A 52 -12.226 -3.712 -2.067 1.00 5.50 H new ATOM 0 HG1 THR A 52 -11.060 -1.196 -1.367 1.00 6.76 H new ATOM 0 HG21 THR A 52 -9.809 -4.057 -1.949 1.00 5.86 H new ATOM 0 HG22 THR A 52 -10.442 -4.106 -3.612 1.00 5.86 H new ATOM 0 HG23 THR A 52 -9.570 -2.666 -3.034 1.00 5.86 H new ATOM 766 N PRO A 53 -10.978 -1.295 -5.386 1.00 1.61 N ATOM 767 CA PRO A 53 -9.639 -0.962 -5.890 1.00 2.88 C ATOM 768 C PRO A 53 -9.255 0.520 -5.803 1.00 2.01 C ATOM 769 O PRO A 53 -8.069 0.819 -5.800 1.00 2.12 O ATOM 770 CB PRO A 53 -9.593 -1.464 -7.338 1.00 4.74 C ATOM 771 CG PRO A 53 -11.050 -1.435 -7.771 1.00 4.57 C ATOM 772 CD PRO A 53 -11.764 -1.841 -6.486 1.00 2.66 C ATOM 0 HA PRO A 53 -8.899 -1.445 -5.252 1.00 2.88 H new ATOM 0 HB2 PRO A 53 -8.975 -0.822 -7.966 1.00 4.74 H new ATOM 0 HB3 PRO A 53 -9.176 -2.469 -7.401 1.00 4.74 H new ATOM 0 HG2 PRO A 53 -11.355 -0.446 -8.114 1.00 4.57 H new ATOM 0 HG3 PRO A 53 -11.248 -2.130 -8.587 1.00 4.57 H new ATOM 0 HD2 PRO A 53 -12.781 -1.450 -6.467 1.00 2.66 H new ATOM 0 HD3 PRO A 53 -11.838 -2.926 -6.409 1.00 2.66 H new ATOM 780 N GLN A 54 -10.209 1.447 -5.663 1.00 1.65 N ATOM 781 CA GLN A 54 -9.934 2.851 -5.329 1.00 1.18 C ATOM 782 C GLN A 54 -9.127 3.027 -4.027 1.00 1.01 C ATOM 783 O GLN A 54 -8.309 3.938 -3.926 1.00 1.07 O ATOM 784 CB GLN A 54 -11.253 3.632 -5.307 1.00 1.82 C ATOM 785 CG GLN A 54 -12.253 3.213 -4.215 1.00 3.79 C ATOM 786 CD GLN A 54 -13.669 3.534 -4.677 1.00 4.91 C ATOM 787 OE1 GLN A 54 -14.040 4.675 -4.884 1.00 4.39 O ATOM 788 NE2 GLN A 54 -14.482 2.546 -4.974 1.00 6.77 N ATOM 0 H GLN A 54 -11.202 1.244 -5.779 1.00 1.65 H new ATOM 0 HA GLN A 54 -9.289 3.260 -6.106 1.00 1.18 H new ATOM 0 HB2 GLN A 54 -11.026 4.691 -5.181 1.00 1.82 H new ATOM 0 HB3 GLN A 54 -11.736 3.523 -6.278 1.00 1.82 H new ATOM 0 HG2 GLN A 54 -12.158 2.147 -4.009 1.00 3.79 H new ATOM 0 HG3 GLN A 54 -12.034 3.738 -3.285 1.00 3.79 H new ATOM 0 HE21 GLN A 54 -14.194 1.581 -4.810 1.00 6.77 H new ATOM 0 HE22 GLN A 54 -15.401 2.743 -5.369 1.00 6.77 H new ATOM 797 N ILE A 55 -9.278 2.109 -3.067 1.00 1.16 N ATOM 798 CA ILE A 55 -8.520 2.050 -1.805 1.00 1.23 C ATOM 799 C ILE A 55 -7.016 1.791 -2.030 1.00 1.30 C ATOM 800 O ILE A 55 -6.226 1.977 -1.105 1.00 1.35 O ATOM 801 CB ILE A 55 -9.205 1.029 -0.851 1.00 1.50 C ATOM 802 CG1 ILE A 55 -10.681 1.401 -0.548 1.00 1.62 C ATOM 803 CG2 ILE A 55 -8.460 0.827 0.483 1.00 1.70 C ATOM 804 CD1 ILE A 55 -10.909 2.775 0.099 1.00 2.54 C ATOM 0 H ILE A 55 -9.959 1.354 -3.148 1.00 1.16 H new ATOM 0 HA ILE A 55 -8.545 3.026 -1.320 1.00 1.23 H new ATOM 0 HB ILE A 55 -9.171 0.089 -1.401 1.00 1.50 H new ATOM 0 HG12 ILE A 55 -11.244 1.363 -1.481 1.00 1.62 H new ATOM 0 HG13 ILE A 55 -11.100 0.638 0.108 1.00 1.62 H new ATOM 0 HG21 ILE A 55 -8.998 0.102 1.094 1.00 1.70 H new ATOM 0 HG22 ILE A 55 -7.453 0.459 0.285 1.00 1.70 H new ATOM 0 HG23 ILE A 55 -8.402 1.777 1.015 1.00 1.70 H new ATOM 0 HD11 ILE A 55 -11.976 2.927 0.265 1.00 2.54 H new ATOM 0 HD12 ILE A 55 -10.384 2.820 1.053 1.00 2.54 H new ATOM 0 HD13 ILE A 55 -10.530 3.555 -0.561 1.00 2.54 H new ATOM 816 N LEU A 56 -6.573 1.457 -3.254 1.00 1.41 N ATOM 817 CA LEU A 56 -5.136 1.381 -3.566 1.00 1.57 C ATOM 818 C LEU A 56 -4.405 2.724 -3.437 1.00 1.48 C ATOM 819 O LEU A 56 -3.179 2.751 -3.328 1.00 1.83 O ATOM 820 CB LEU A 56 -4.893 0.658 -4.912 1.00 1.75 C ATOM 821 CG LEU A 56 -5.075 1.469 -6.223 1.00 1.70 C ATOM 822 CD1 LEU A 56 -3.841 2.312 -6.597 1.00 1.86 C ATOM 823 CD2 LEU A 56 -5.338 0.510 -7.396 1.00 2.08 C ATOM 0 H LEU A 56 -7.186 1.237 -4.039 1.00 1.41 H new ATOM 0 HA LEU A 56 -4.676 0.764 -2.795 1.00 1.57 H new ATOM 0 HB2 LEU A 56 -3.876 0.267 -4.901 1.00 1.75 H new ATOM 0 HB3 LEU A 56 -5.564 -0.200 -4.955 1.00 1.75 H new ATOM 0 HG LEU A 56 -5.914 2.141 -6.042 1.00 1.70 H new ATOM 0 HD11 LEU A 56 -4.037 2.853 -7.523 1.00 1.86 H new ATOM 0 HD12 LEU A 56 -3.631 3.024 -5.799 1.00 1.86 H new ATOM 0 HD13 LEU A 56 -2.981 1.657 -6.734 1.00 1.86 H new ATOM 0 HD21 LEU A 56 -5.465 1.084 -8.314 1.00 2.08 H new ATOM 0 HD22 LEU A 56 -4.493 -0.169 -7.507 1.00 2.08 H new ATOM 0 HD23 LEU A 56 -6.243 -0.065 -7.200 1.00 2.08 H new ATOM 835 N THR A 57 -5.166 3.824 -3.474 1.00 1.14 N ATOM 836 CA THR A 57 -4.687 5.179 -3.139 1.00 1.13 C ATOM 837 C THR A 57 -4.906 5.476 -1.658 1.00 0.87 C ATOM 838 O THR A 57 -3.930 5.665 -0.935 1.00 0.78 O ATOM 839 CB THR A 57 -5.347 6.226 -4.043 1.00 1.27 C ATOM 840 OG1 THR A 57 -5.019 5.894 -5.369 1.00 1.70 O ATOM 841 CG2 THR A 57 -4.831 7.642 -3.785 1.00 2.03 C ATOM 0 H THR A 57 -6.150 3.802 -3.742 1.00 1.14 H new ATOM 0 HA THR A 57 -3.614 5.227 -3.322 1.00 1.13 H new ATOM 0 HB THR A 57 -6.419 6.219 -3.845 1.00 1.27 H new ATOM 0 HG1 THR A 57 -5.427 6.543 -5.979 1.00 1.70 H new ATOM 0 HG21 THR A 57 -5.334 8.340 -4.454 1.00 2.03 H new ATOM 0 HG22 THR A 57 -5.034 7.920 -2.751 1.00 2.03 H new ATOM 0 HG23 THR A 57 -3.757 7.676 -3.966 1.00 2.03 H new ATOM 849 N ASP A 58 -6.160 5.459 -1.193 1.00 0.82 N ATOM 850 CA ASP A 58 -6.550 5.846 0.177 1.00 0.77 C ATOM 851 C ASP A 58 -5.649 5.227 1.257 1.00 0.69 C ATOM 852 O ASP A 58 -5.146 5.931 2.133 1.00 0.66 O ATOM 853 CB ASP A 58 -8.012 5.443 0.423 1.00 0.85 C ATOM 854 CG ASP A 58 -8.500 5.863 1.817 1.00 1.28 C ATOM 855 OD1 ASP A 58 -8.835 7.059 1.975 1.00 2.25 O ATOM 856 OD2 ASP A 58 -8.551 4.976 2.701 1.00 2.04 O ATOM 0 H ASP A 58 -6.952 5.171 -1.767 1.00 0.82 H new ATOM 0 HA ASP A 58 -6.432 6.927 0.253 1.00 0.77 H new ATOM 0 HB2 ASP A 58 -8.646 5.901 -0.336 1.00 0.85 H new ATOM 0 HB3 ASP A 58 -8.113 4.363 0.314 1.00 0.85 H new ATOM 861 N ALA A 59 -5.336 3.933 1.136 1.00 0.73 N ATOM 862 CA ALA A 59 -4.511 3.232 2.109 1.00 0.75 C ATOM 863 C ALA A 59 -3.022 3.626 2.112 1.00 0.72 C ATOM 864 O ALA A 59 -2.313 3.241 3.041 1.00 0.85 O ATOM 865 CB ALA A 59 -4.723 1.726 1.922 1.00 0.89 C ATOM 0 H ALA A 59 -5.649 3.349 0.361 1.00 0.73 H new ATOM 0 HA ALA A 59 -4.840 3.541 3.101 1.00 0.75 H new ATOM 0 HB1 ALA A 59 -4.113 1.181 2.642 1.00 0.89 H new ATOM 0 HB2 ALA A 59 -5.774 1.484 2.080 1.00 0.89 H new ATOM 0 HB3 ALA A 59 -4.433 1.440 0.911 1.00 0.89 H new ATOM 871 N VAL A 60 -2.554 4.411 1.139 1.00 0.65 N ATOM 872 CA VAL A 60 -1.243 5.092 1.174 1.00 0.62 C ATOM 873 C VAL A 60 -1.385 6.535 1.678 1.00 0.61 C ATOM 874 O VAL A 60 -0.539 6.993 2.446 1.00 0.63 O ATOM 875 CB VAL A 60 -0.534 5.101 -0.203 1.00 0.70 C ATOM 876 CG1 VAL A 60 0.964 5.379 -0.035 1.00 1.81 C ATOM 877 CG2 VAL A 60 -0.695 3.769 -0.959 1.00 1.71 C ATOM 0 H VAL A 60 -3.080 4.599 0.286 1.00 0.65 H new ATOM 0 HA VAL A 60 -0.626 4.518 1.865 1.00 0.62 H new ATOM 0 HB VAL A 60 -1.009 5.891 -0.785 1.00 0.70 H new ATOM 0 HG11 VAL A 60 1.446 5.381 -1.013 1.00 1.81 H new ATOM 0 HG12 VAL A 60 1.103 6.350 0.440 1.00 1.81 H new ATOM 0 HG13 VAL A 60 1.410 4.603 0.587 1.00 1.81 H new ATOM 0 HG21 VAL A 60 -0.179 3.830 -1.917 1.00 1.71 H new ATOM 0 HG22 VAL A 60 -0.266 2.960 -0.367 1.00 1.71 H new ATOM 0 HG23 VAL A 60 -1.754 3.573 -1.129 1.00 1.71 H new ATOM 887 N GLU A 61 -2.481 7.227 1.330 1.00 0.62 N ATOM 888 CA GLU A 61 -2.731 8.619 1.751 1.00 0.70 C ATOM 889 C GLU A 61 -2.852 8.694 3.282 1.00 0.71 C ATOM 890 O GLU A 61 -2.203 9.518 3.929 1.00 0.84 O ATOM 891 CB GLU A 61 -4.010 9.170 1.091 1.00 0.75 C ATOM 892 CG GLU A 61 -3.982 9.236 -0.447 1.00 1.47 C ATOM 893 CD GLU A 61 -2.986 10.240 -1.033 1.00 1.38 C ATOM 894 OE1 GLU A 61 -2.881 11.375 -0.507 1.00 1.99 O ATOM 895 OE2 GLU A 61 -2.343 9.901 -2.055 1.00 2.45 O ATOM 0 H GLU A 61 -3.222 6.838 0.747 1.00 0.62 H new ATOM 0 HA GLU A 61 -1.888 9.231 1.429 1.00 0.70 H new ATOM 0 HB2 GLU A 61 -4.853 8.549 1.396 1.00 0.75 H new ATOM 0 HB3 GLU A 61 -4.196 10.172 1.478 1.00 0.75 H new ATOM 0 HG2 GLU A 61 -3.746 8.245 -0.834 1.00 1.47 H new ATOM 0 HG3 GLU A 61 -4.981 9.488 -0.803 1.00 1.47 H new ATOM 902 N ARG A 62 -3.573 7.726 3.874 1.00 0.68 N ATOM 903 CA ARG A 62 -3.736 7.522 5.322 1.00 0.76 C ATOM 904 C ARG A 62 -2.426 7.439 6.116 1.00 0.63 C ATOM 905 O ARG A 62 -2.462 7.466 7.349 1.00 0.72 O ATOM 906 CB ARG A 62 -4.636 6.292 5.555 1.00 1.01 C ATOM 907 CG ARG A 62 -3.988 4.917 5.321 1.00 1.55 C ATOM 908 CD ARG A 62 -2.915 4.415 6.309 1.00 1.26 C ATOM 909 NE ARG A 62 -3.210 4.780 7.705 1.00 1.64 N ATOM 910 CZ ARG A 62 -3.244 3.994 8.768 1.00 1.15 C ATOM 911 NH1 ARG A 62 -3.042 2.697 8.696 1.00 2.33 N ATOM 912 NH2 ARG A 62 -3.462 4.536 9.946 1.00 1.98 N ATOM 0 H ARG A 62 -4.082 7.031 3.328 1.00 0.68 H new ATOM 0 HA ARG A 62 -4.214 8.418 5.718 1.00 0.76 H new ATOM 0 HB2 ARG A 62 -5.003 6.327 6.581 1.00 1.01 H new ATOM 0 HB3 ARG A 62 -5.505 6.376 4.902 1.00 1.01 H new ATOM 0 HG2 ARG A 62 -4.787 4.176 5.300 1.00 1.55 H new ATOM 0 HG3 ARG A 62 -3.539 4.930 4.328 1.00 1.55 H new ATOM 0 HD2 ARG A 62 -2.834 3.331 6.231 1.00 1.26 H new ATOM 0 HD3 ARG A 62 -1.946 4.828 6.027 1.00 1.26 H new ATOM 0 HE ARG A 62 -3.414 5.765 7.874 1.00 1.64 H new ATOM 0 HH11 ARG A 62 -2.850 2.260 7.795 1.00 2.33 H new ATOM 0 HH12 ARG A 62 -3.077 2.128 9.542 1.00 2.33 H new ATOM 0 HH21 ARG A 62 -3.601 5.543 10.026 1.00 1.98 H new ATOM 0 HH22 ARG A 62 -3.492 3.949 10.780 1.00 1.98 H new ATOM 926 N ALA A 63 -1.292 7.208 5.447 1.00 0.56 N ATOM 927 CA ALA A 63 0.028 7.088 6.056 1.00 0.71 C ATOM 928 C ALA A 63 0.826 8.404 6.048 1.00 0.80 C ATOM 929 O ALA A 63 1.845 8.463 6.738 1.00 1.03 O ATOM 930 CB ALA A 63 0.789 5.970 5.324 1.00 0.81 C ATOM 0 H ALA A 63 -1.272 7.096 4.433 1.00 0.56 H new ATOM 0 HA ALA A 63 -0.099 6.841 7.110 1.00 0.71 H new ATOM 0 HB1 ALA A 63 1.782 5.859 5.761 1.00 0.81 H new ATOM 0 HB2 ALA A 63 0.242 5.032 5.423 1.00 0.81 H new ATOM 0 HB3 ALA A 63 0.883 6.225 4.268 1.00 0.81 H new ATOM 936 N GLY A 64 0.391 9.418 5.285 1.00 0.77 N ATOM 937 CA GLY A 64 1.165 10.626 4.978 1.00 1.00 C ATOM 938 C GLY A 64 2.001 10.469 3.706 1.00 1.04 C ATOM 939 O GLY A 64 2.810 11.337 3.391 1.00 1.28 O ATOM 0 H GLY A 64 -0.533 9.419 4.854 1.00 0.77 H new ATOM 0 HA2 GLY A 64 0.486 11.471 4.863 1.00 1.00 H new ATOM 0 HA3 GLY A 64 1.822 10.857 5.816 1.00 1.00 H new ATOM 943 N TYR A 65 1.828 9.347 2.997 1.00 0.85 N ATOM 944 CA TYR A 65 2.592 8.959 1.814 1.00 0.83 C ATOM 945 C TYR A 65 1.686 8.917 0.561 1.00 0.78 C ATOM 946 O TYR A 65 0.476 9.109 0.664 1.00 1.00 O ATOM 947 CB TYR A 65 3.298 7.617 2.112 1.00 0.83 C ATOM 948 CG TYR A 65 4.117 7.544 3.403 1.00 0.95 C ATOM 949 CD1 TYR A 65 4.800 8.673 3.903 1.00 1.65 C ATOM 950 CD2 TYR A 65 4.206 6.324 4.109 1.00 2.13 C ATOM 951 CE1 TYR A 65 5.539 8.599 5.098 1.00 1.75 C ATOM 952 CE2 TYR A 65 4.967 6.234 5.293 1.00 2.32 C ATOM 953 CZ TYR A 65 5.638 7.373 5.792 1.00 1.42 C ATOM 954 OH TYR A 65 6.420 7.289 6.905 1.00 1.72 O ATOM 0 H TYR A 65 1.119 8.657 3.247 1.00 0.85 H new ATOM 0 HA TYR A 65 3.359 9.700 1.587 1.00 0.83 H new ATOM 0 HB2 TYR A 65 2.541 6.834 2.145 1.00 0.83 H new ATOM 0 HB3 TYR A 65 3.959 7.387 1.276 1.00 0.83 H new ATOM 0 HD1 TYR A 65 4.755 9.606 3.361 1.00 1.65 H new ATOM 0 HD2 TYR A 65 3.687 5.452 3.739 1.00 2.13 H new ATOM 0 HE1 TYR A 65 6.030 9.480 5.484 1.00 1.75 H new ATOM 0 HE2 TYR A 65 5.037 5.293 5.819 1.00 2.32 H new ATOM 0 HH TYR A 65 6.207 6.467 7.393 1.00 1.72 H new ATOM 964 N HIS A 66 2.250 8.703 -0.635 1.00 0.68 N ATOM 965 CA HIS A 66 1.543 8.751 -1.929 1.00 0.63 C ATOM 966 C HIS A 66 1.840 7.512 -2.774 1.00 0.56 C ATOM 967 O HIS A 66 2.888 6.890 -2.633 1.00 0.68 O ATOM 968 CB HIS A 66 1.941 10.039 -2.685 1.00 0.80 C ATOM 969 CG HIS A 66 0.939 11.150 -2.497 1.00 0.86 C ATOM 970 ND1 HIS A 66 0.041 11.580 -3.456 1.00 2.01 N ATOM 971 CD2 HIS A 66 0.535 11.661 -1.295 1.00 1.64 C ATOM 972 CE1 HIS A 66 -0.911 12.298 -2.836 1.00 1.99 C ATOM 973 NE2 HIS A 66 -0.634 12.356 -1.521 1.00 1.38 N ATOM 0 H HIS A 66 3.241 8.485 -0.736 1.00 0.68 H new ATOM 0 HA HIS A 66 0.470 8.762 -1.739 1.00 0.63 H new ATOM 0 HB2 HIS A 66 2.919 10.373 -2.338 1.00 0.80 H new ATOM 0 HB3 HIS A 66 2.038 9.818 -3.748 1.00 0.80 H new ATOM 0 HD2 HIS A 66 1.037 11.542 -0.346 1.00 1.64 H new ATOM 0 HE1 HIS A 66 -1.763 12.756 -3.317 1.00 1.99 H new ATOM 0 HE2 HIS A 66 -1.193 12.832 -0.813 1.00 1.38 H new ATOM 982 N ALA A 67 0.946 7.168 -3.701 1.00 0.55 N ATOM 983 CA ALA A 67 1.135 6.021 -4.600 1.00 0.67 C ATOM 984 C ALA A 67 1.873 6.430 -5.895 1.00 0.77 C ATOM 985 O ALA A 67 1.308 7.140 -6.728 1.00 1.08 O ATOM 986 CB ALA A 67 -0.251 5.421 -4.883 1.00 0.82 C ATOM 0 H ALA A 67 0.072 7.672 -3.853 1.00 0.55 H new ATOM 0 HA ALA A 67 1.770 5.270 -4.129 1.00 0.67 H new ATOM 0 HB1 ALA A 67 -0.148 4.565 -5.549 1.00 0.82 H new ATOM 0 HB2 ALA A 67 -0.706 5.099 -3.946 1.00 0.82 H new ATOM 0 HB3 ALA A 67 -0.884 6.173 -5.354 1.00 0.82 H new ATOM 992 N ARG A 68 3.113 5.958 -6.094 1.00 0.66 N ATOM 993 CA ARG A 68 3.924 6.233 -7.290 1.00 0.77 C ATOM 994 C ARG A 68 3.869 5.063 -8.260 1.00 0.80 C ATOM 995 O ARG A 68 4.465 4.008 -8.070 1.00 0.70 O ATOM 996 CB ARG A 68 5.376 6.497 -6.893 1.00 1.03 C ATOM 997 CG ARG A 68 6.443 6.512 -8.000 1.00 1.45 C ATOM 998 CD ARG A 68 6.304 7.633 -9.039 1.00 2.52 C ATOM 999 NE ARG A 68 6.491 8.987 -8.487 1.00 2.70 N ATOM 1000 CZ ARG A 68 7.113 10.002 -9.073 1.00 3.66 C ATOM 1001 NH1 ARG A 68 7.682 9.901 -10.260 1.00 4.71 N ATOM 1002 NH2 ARG A 68 7.165 11.162 -8.468 1.00 4.54 N ATOM 0 H ARG A 68 3.589 5.363 -5.416 1.00 0.66 H new ATOM 0 HA ARG A 68 3.515 7.116 -7.780 1.00 0.77 H new ATOM 0 HB2 ARG A 68 5.412 7.460 -6.384 1.00 1.03 H new ATOM 0 HB3 ARG A 68 5.664 5.740 -6.164 1.00 1.03 H new ATOM 0 HG2 ARG A 68 7.424 6.593 -7.533 1.00 1.45 H new ATOM 0 HG3 ARG A 68 6.416 5.554 -8.519 1.00 1.45 H new ATOM 0 HD2 ARG A 68 7.033 7.471 -9.833 1.00 2.52 H new ATOM 0 HD3 ARG A 68 5.316 7.571 -9.496 1.00 2.52 H new ATOM 0 HE ARG A 68 6.103 9.161 -7.560 1.00 2.70 H new ATOM 0 HH11 ARG A 68 7.654 9.015 -10.765 1.00 4.71 H new ATOM 0 HH12 ARG A 68 8.149 10.709 -10.672 1.00 4.71 H new ATOM 0 HH21 ARG A 68 6.729 11.280 -7.553 1.00 4.54 H new ATOM 0 HH22 ARG A 68 7.641 11.948 -8.911 1.00 4.54 H new ATOM 1016 N VAL A 69 3.240 5.326 -9.385 1.00 1.12 N ATOM 1017 CA VAL A 69 3.307 4.450 -10.563 1.00 1.18 C ATOM 1018 C VAL A 69 4.735 4.461 -11.105 1.00 1.21 C ATOM 1019 O VAL A 69 5.303 5.525 -11.358 1.00 1.43 O ATOM 1020 CB VAL A 69 2.292 4.843 -11.660 1.00 1.53 C ATOM 1021 CG1 VAL A 69 2.340 3.870 -12.852 1.00 1.64 C ATOM 1022 CG2 VAL A 69 0.859 4.872 -11.099 1.00 3.25 C ATOM 0 H VAL A 69 2.661 6.155 -9.522 1.00 1.12 H new ATOM 0 HA VAL A 69 3.034 3.441 -10.254 1.00 1.18 H new ATOM 0 HB VAL A 69 2.571 5.839 -12.004 1.00 1.53 H new ATOM 0 HG11 VAL A 69 1.613 4.178 -13.603 1.00 1.64 H new ATOM 0 HG12 VAL A 69 3.339 3.879 -13.289 1.00 1.64 H new ATOM 0 HG13 VAL A 69 2.103 2.863 -12.509 1.00 1.64 H new ATOM 0 HG21 VAL A 69 0.164 5.151 -11.891 1.00 3.25 H new ATOM 0 HG22 VAL A 69 0.597 3.885 -10.718 1.00 3.25 H new ATOM 0 HG23 VAL A 69 0.800 5.600 -10.290 1.00 3.25 H new ATOM 1032 N LEU A 70 5.305 3.264 -11.240 1.00 1.12 N ATOM 1033 CA LEU A 70 6.658 3.037 -11.739 1.00 1.23 C ATOM 1034 C LEU A 70 6.648 2.540 -13.187 1.00 1.30 C ATOM 1035 O LEU A 70 5.643 2.006 -13.648 1.00 1.76 O ATOM 1036 CB LEU A 70 7.401 2.100 -10.763 1.00 1.20 C ATOM 1037 CG LEU A 70 7.009 0.601 -10.681 1.00 1.11 C ATOM 1038 CD1 LEU A 70 7.451 -0.250 -11.886 1.00 1.39 C ATOM 1039 CD2 LEU A 70 7.678 -0.013 -9.440 1.00 1.26 C ATOM 0 H LEU A 70 4.821 2.399 -10.997 1.00 1.12 H new ATOM 0 HA LEU A 70 7.206 3.978 -11.773 1.00 1.23 H new ATOM 0 HB2 LEU A 70 8.461 2.145 -11.013 1.00 1.20 H new ATOM 0 HB3 LEU A 70 7.291 2.520 -9.763 1.00 1.20 H new ATOM 0 HG LEU A 70 5.920 0.585 -10.649 1.00 1.11 H new ATOM 0 HD11 LEU A 70 7.133 -1.282 -11.739 1.00 1.39 H new ATOM 0 HD12 LEU A 70 6.997 0.143 -12.795 1.00 1.39 H new ATOM 0 HD13 LEU A 70 8.537 -0.215 -11.978 1.00 1.39 H new ATOM 0 HD21 LEU A 70 7.412 -1.068 -9.368 1.00 1.26 H new ATOM 0 HD22 LEU A 70 8.760 0.083 -9.525 1.00 1.26 H new ATOM 0 HD23 LEU A 70 7.336 0.509 -8.546 1.00 1.26 H new ATOM 1051 N LYS A 71 7.792 2.658 -13.868 1.00 1.49 N ATOM 1052 CA LYS A 71 8.155 1.965 -15.117 1.00 1.76 C ATOM 1053 C LYS A 71 9.482 2.471 -15.700 1.00 2.26 C ATOM 1054 O LYS A 71 9.905 3.600 -15.461 1.00 3.05 O ATOM 1055 CB LYS A 71 7.052 2.018 -16.214 1.00 2.70 C ATOM 1056 CG LYS A 71 6.439 0.629 -16.483 1.00 3.80 C ATOM 1057 CD LYS A 71 5.673 0.540 -17.812 1.00 4.86 C ATOM 1058 CE LYS A 71 4.554 1.582 -17.926 1.00 5.03 C ATOM 1059 NZ LYS A 71 3.808 1.430 -19.199 1.00 6.26 N ATOM 0 H LYS A 71 8.537 3.276 -13.546 1.00 1.49 H new ATOM 0 HA LYS A 71 8.268 0.922 -14.821 1.00 1.76 H new ATOM 0 HB2 LYS A 71 6.266 2.708 -15.905 1.00 2.70 H new ATOM 0 HB3 LYS A 71 7.477 2.412 -17.137 1.00 2.70 H new ATOM 0 HG2 LYS A 71 7.235 -0.116 -16.482 1.00 3.80 H new ATOM 0 HG3 LYS A 71 5.763 0.375 -15.666 1.00 3.80 H new ATOM 0 HD2 LYS A 71 6.372 0.673 -18.638 1.00 4.86 H new ATOM 0 HD3 LYS A 71 5.246 -0.458 -17.913 1.00 4.86 H new ATOM 0 HE2 LYS A 71 3.869 1.477 -17.085 1.00 5.03 H new ATOM 0 HE3 LYS A 71 4.979 2.584 -17.868 1.00 5.03 H new ATOM 0 HZ1 LYS A 71 3.090 2.179 -19.272 1.00 6.26 H new ATOM 0 HZ2 LYS A 71 4.468 1.503 -19.999 1.00 6.26 H new ATOM 0 HZ3 LYS A 71 3.341 0.501 -19.219 1.00 6.26 H new ATOM 1073 N GLN A 72 10.056 1.658 -16.582 1.00 2.54 N ATOM 1074 CA GLN A 72 10.663 2.157 -17.813 1.00 3.36 C ATOM 1075 C GLN A 72 9.914 1.486 -18.979 1.00 3.25 C ATOM 1076 O GLN A 72 9.007 0.685 -18.744 1.00 3.48 O ATOM 1077 CB GLN A 72 12.171 1.868 -17.837 1.00 4.43 C ATOM 1078 CG GLN A 72 12.917 2.634 -16.732 1.00 5.09 C ATOM 1079 CD GLN A 72 14.398 2.748 -17.060 1.00 6.37 C ATOM 1080 OE1 GLN A 72 14.841 3.717 -17.645 1.00 7.26 O ATOM 1081 NE2 GLN A 72 15.206 1.752 -16.772 1.00 7.09 N ATOM 0 H GLN A 72 10.114 0.646 -16.467 1.00 2.54 H new ATOM 0 HA GLN A 72 10.573 3.240 -17.892 1.00 3.36 H new ATOM 0 HB2 GLN A 72 12.338 0.798 -17.714 1.00 4.43 H new ATOM 0 HB3 GLN A 72 12.579 2.144 -18.809 1.00 4.43 H new ATOM 0 HG2 GLN A 72 12.487 3.629 -16.619 1.00 5.09 H new ATOM 0 HG3 GLN A 72 12.789 2.122 -15.778 1.00 5.09 H new ATOM 0 HE21 GLN A 72 14.850 0.932 -16.281 1.00 7.09 H new ATOM 0 HE22 GLN A 72 16.189 1.799 -17.039 1.00 7.09 H new ATOM 1090 N GLN A 73 10.263 1.793 -20.228 1.00 3.81 N ATOM 1091 CA GLN A 73 9.647 1.191 -21.411 1.00 3.98 C ATOM 1092 C GLN A 73 10.604 1.396 -22.593 1.00 4.95 C ATOM 1093 O GLN A 73 11.771 1.057 -22.469 1.00 5.67 O ATOM 1094 CB GLN A 73 8.205 1.726 -21.607 1.00 4.45 C ATOM 1095 CG GLN A 73 7.341 0.801 -22.483 1.00 5.38 C ATOM 1096 CD GLN A 73 5.905 1.309 -22.612 1.00 6.54 C ATOM 1097 OE1 GLN A 73 5.192 1.478 -21.629 1.00 6.87 O ATOM 1098 NE2 GLN A 73 5.433 1.588 -23.811 1.00 7.82 N ATOM 0 H GLN A 73 10.989 2.474 -20.450 1.00 3.81 H new ATOM 0 HA GLN A 73 9.509 0.115 -21.304 1.00 3.98 H new ATOM 0 HB2 GLN A 73 7.730 1.844 -20.633 1.00 4.45 H new ATOM 0 HB3 GLN A 73 8.248 2.715 -22.063 1.00 4.45 H new ATOM 0 HG2 GLN A 73 7.787 0.720 -23.474 1.00 5.38 H new ATOM 0 HG3 GLN A 73 7.334 -0.201 -22.054 1.00 5.38 H new ATOM 0 HE21 GLN A 73 6.019 1.451 -24.634 1.00 7.82 H new ATOM 0 HE22 GLN A 73 4.482 1.941 -23.915 1.00 7.82 H new TER 1107 GLN A 73