USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=21 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 Set 1.1: A 22 THR OG1 : rot 180:sc= 0.00832 USER MOD Set 1.2: A 25 ASN : amide:sc= 0.251 K(o=0.26,f=-1.8!) USER MOD Set 2.1: A 6 LYS NZ :NH3+ 165:sc= 1.2 (180deg=0) USER MOD Set 2.2: A 12 THR OG1 : rot 161:sc= 1.02 USER MOD Set 3.1: A 7 THR OG1 : rot 115:sc= 1.26 USER MOD Set 3.2: A 9 THR OG1 : rot 180:sc= 0.763 USER MOD Single : A 1 MET CE :methyl -172:sc= 0 (180deg=-0.055) USER MOD Single : A 1 MET N :NH3+ 135:sc= 1.19 (180deg=-0.784) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 LYS NZ :NH3+ 145:sc= -0.534 (180deg=-1.31!) USER MOD Single : A 14 THR OG1 : rot -73:sc= 0.529 USER MOD Single : A 20 SER OG : rot 180:sc= 0.0369 USER MOD Single : A 27 LYS NZ :NH3+ -150:sc= 1.26 (180deg=0.00429!) USER MOD Single : A 29 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.138) USER MOD Single : A 31 GLN : amide:sc= -0.464 X(o=-0.46,f=-0.58) USER MOD Single : A 33 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0244) USER MOD Single : A 40 GLN : amide:sc= -0.0917 K(o=-0.092,f=-0.84) USER MOD Single : A 41 GLN : amide:sc= 0.32 K(o=0.32,f=-4.6!) USER MOD Single : A 48 LYS NZ :NH3+ 155:sc= -0.0575 (180deg=-0.453) USER MOD Single : A 49 GLN : amide:sc= 1.01 K(o=1,f=-4.5!) USER MOD Single : A 55 THR OG1 : rot -66:sc= 1.25 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 70:sc= 0.96 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN :FLIP amide:sc= -0.012 F(o=-1.2!,f=-0.012) USER MOD Single : A 63 LYS NZ :NH3+ 170:sc= 1.24 (180deg=1.05) USER MOD Single : A 65 SER OG : rot 82:sc= 1.01 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.11 X(o=-0.11,f=-0.017) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 12.915 -4.367 -4.113 1.00 0.78 N ATOM 2 CA MET A 1 12.743 -5.292 -2.971 1.00 0.70 C ATOM 3 C MET A 1 11.331 -5.763 -2.883 1.00 0.62 C ATOM 4 O MET A 1 10.452 -5.277 -3.593 1.00 0.68 O ATOM 5 CB MET A 1 13.050 -4.453 -1.720 1.00 0.75 C ATOM 6 CG MET A 1 12.091 -3.276 -1.525 1.00 0.79 C ATOM 7 SD MET A 1 12.784 -2.349 -0.123 1.00 1.10 S ATOM 8 CE MET A 1 11.652 -0.930 -0.165 1.00 0.84 C ATOM 0 H1 MET A 1 13.473 -3.543 -3.811 1.00 0.78 H new ATOM 0 H2 MET A 1 13.410 -4.857 -4.885 1.00 0.78 H new ATOM 0 H3 MET A 1 11.982 -4.050 -4.446 1.00 0.78 H new ATOM 0 HA MET A 1 13.387 -6.165 -3.074 1.00 0.70 H new ATOM 0 HB2 MET A 1 13.007 -5.096 -0.841 1.00 0.75 H new ATOM 0 HB3 MET A 1 14.070 -4.074 -1.788 1.00 0.75 H new ATOM 0 HG2 MET A 1 12.035 -2.657 -2.421 1.00 0.79 H new ATOM 0 HG3 MET A 1 11.079 -3.620 -1.312 1.00 0.79 H new ATOM 0 HE1 MET A 1 11.998 -0.168 0.534 1.00 0.84 H new ATOM 0 HE2 MET A 1 11.627 -0.514 -1.172 1.00 0.84 H new ATOM 0 HE3 MET A 1 10.651 -1.255 0.118 1.00 0.84 H new ATOM 20 N GLN A 2 10.977 -6.667 -1.952 1.00 0.59 N ATOM 21 CA GLN A 2 9.670 -7.213 -1.753 1.00 0.56 C ATOM 22 C GLN A 2 9.066 -6.730 -0.479 1.00 0.50 C ATOM 23 O GLN A 2 9.696 -6.773 0.576 1.00 0.60 O ATOM 24 CB GLN A 2 9.608 -8.749 -1.728 1.00 0.71 C ATOM 25 CG GLN A 2 10.455 -9.467 -0.675 1.00 1.15 C ATOM 26 CD GLN A 2 10.639 -10.932 -1.045 1.00 1.30 C ATOM 27 OE1 GLN A 2 11.651 -11.127 -1.716 1.00 1.87 O ATOM 28 NE2 GLN A 2 9.812 -11.883 -0.533 1.00 1.72 N ATOM 0 H GLN A 2 11.656 -7.043 -1.290 1.00 0.59 H new ATOM 0 HA GLN A 2 9.114 -6.864 -2.623 1.00 0.56 H new ATOM 0 HB2 GLN A 2 8.568 -9.043 -1.583 1.00 0.71 H new ATOM 0 HB3 GLN A 2 9.908 -9.115 -2.710 1.00 0.71 H new ATOM 0 HG2 GLN A 2 11.428 -8.983 -0.590 1.00 1.15 H new ATOM 0 HG3 GLN A 2 9.975 -9.390 0.300 1.00 1.15 H new ATOM 0 HE21 GLN A 2 8.995 -11.608 0.013 1.00 1.72 H new ATOM 0 HE22 GLN A 2 10.009 -12.871 -0.695 1.00 1.72 H new ATOM 37 N ILE A 3 7.900 -6.077 -0.625 1.00 0.44 N ATOM 38 CA ILE A 3 7.091 -5.747 0.507 1.00 0.42 C ATOM 39 C ILE A 3 5.853 -6.574 0.562 1.00 0.40 C ATOM 40 O ILE A 3 5.557 -7.355 -0.341 1.00 0.50 O ATOM 41 CB ILE A 3 6.715 -4.301 0.636 1.00 0.48 C ATOM 42 CG1 ILE A 3 6.002 -3.665 -0.568 1.00 0.55 C ATOM 43 CG2 ILE A 3 7.934 -3.450 1.031 1.00 0.61 C ATOM 44 CD1 ILE A 3 5.476 -2.247 -0.352 1.00 0.72 C ATOM 0 H ILE A 3 7.518 -5.778 -1.522 1.00 0.44 H new ATOM 0 HA ILE A 3 7.742 -5.972 1.351 1.00 0.42 H new ATOM 0 HB ILE A 3 5.966 -4.305 1.428 1.00 0.48 H new ATOM 0 HG12 ILE A 3 6.693 -3.652 -1.411 1.00 0.55 H new ATOM 0 HG13 ILE A 3 5.166 -4.304 -0.851 1.00 0.55 H new ATOM 0 HG21 ILE A 3 7.636 -2.405 1.118 1.00 0.61 H new ATOM 0 HG22 ILE A 3 8.325 -3.797 1.987 1.00 0.61 H new ATOM 0 HG23 ILE A 3 8.706 -3.544 0.268 1.00 0.61 H new ATOM 0 HD11 ILE A 3 4.992 -1.896 -1.263 1.00 0.72 H new ATOM 0 HD12 ILE A 3 4.755 -2.247 0.465 1.00 0.72 H new ATOM 0 HD13 ILE A 3 6.306 -1.585 -0.104 1.00 0.72 H new ATOM 56 N PHE A 4 5.094 -6.457 1.665 1.00 0.37 N ATOM 57 CA PHE A 4 3.867 -7.170 1.848 1.00 0.38 C ATOM 58 C PHE A 4 2.764 -6.186 2.032 1.00 0.39 C ATOM 59 O PHE A 4 3.006 -5.081 2.516 1.00 0.60 O ATOM 60 CB PHE A 4 3.918 -8.109 3.064 1.00 0.45 C ATOM 61 CG PHE A 4 4.996 -9.109 2.823 1.00 0.51 C ATOM 62 CD1 PHE A 4 5.014 -10.018 1.792 1.00 1.16 C ATOM 63 CD2 PHE A 4 6.013 -9.178 3.747 1.00 1.30 C ATOM 64 CE1 PHE A 4 5.938 -11.035 1.749 1.00 1.23 C ATOM 65 CE2 PHE A 4 6.999 -10.133 3.675 1.00 1.40 C ATOM 66 CZ PHE A 4 6.998 -11.021 2.625 1.00 0.85 C ATOM 0 H PHE A 4 5.338 -5.852 2.449 1.00 0.37 H new ATOM 0 HA PHE A 4 3.698 -7.786 0.964 1.00 0.38 H new ATOM 0 HB2 PHE A 4 4.118 -7.544 3.975 1.00 0.45 H new ATOM 0 HB3 PHE A 4 2.959 -8.607 3.202 1.00 0.45 H new ATOM 0 HD1 PHE A 4 4.286 -9.931 0.999 1.00 1.16 H new ATOM 0 HD2 PHE A 4 6.037 -8.460 4.553 1.00 1.30 H new ATOM 0 HE1 PHE A 4 5.832 -11.837 1.034 1.00 1.23 H new ATOM 0 HE2 PHE A 4 7.765 -10.185 4.434 1.00 1.40 H new ATOM 0 HZ PHE A 4 7.824 -11.703 2.489 1.00 0.85 H new ATOM 76 N VAL A 5 1.472 -6.507 1.838 1.00 0.35 N ATOM 77 CA VAL A 5 0.354 -5.695 2.208 1.00 0.35 C ATOM 78 C VAL A 5 -0.682 -6.613 2.758 1.00 0.35 C ATOM 79 O VAL A 5 -0.989 -7.644 2.160 1.00 0.46 O ATOM 80 CB VAL A 5 -0.230 -5.056 0.982 1.00 0.44 C ATOM 81 CG1 VAL A 5 -1.414 -4.131 1.314 1.00 0.58 C ATOM 82 CG2 VAL A 5 0.809 -4.197 0.241 1.00 0.56 C ATOM 0 H VAL A 5 1.192 -7.384 1.398 1.00 0.35 H new ATOM 0 HA VAL A 5 0.660 -4.930 2.921 1.00 0.35 H new ATOM 0 HB VAL A 5 -0.564 -5.886 0.359 1.00 0.44 H new ATOM 0 HG11 VAL A 5 -1.802 -3.693 0.395 1.00 0.58 H new ATOM 0 HG12 VAL A 5 -2.200 -4.707 1.801 1.00 0.58 H new ATOM 0 HG13 VAL A 5 -1.079 -3.337 1.982 1.00 0.58 H new ATOM 0 HG21 VAL A 5 0.350 -3.751 -0.641 1.00 0.56 H new ATOM 0 HG22 VAL A 5 1.167 -3.408 0.902 1.00 0.56 H new ATOM 0 HG23 VAL A 5 1.648 -4.823 -0.064 1.00 0.56 H new ATOM 92 N LYS A 6 -1.331 -6.342 3.904 1.00 0.36 N ATOM 93 CA LYS A 6 -2.366 -7.189 4.410 1.00 0.39 C ATOM 94 C LYS A 6 -3.677 -6.486 4.306 1.00 0.46 C ATOM 95 O LYS A 6 -3.885 -5.333 4.679 1.00 0.53 O ATOM 96 CB LYS A 6 -2.024 -7.441 5.888 1.00 0.54 C ATOM 97 CG LYS A 6 -2.907 -8.477 6.585 1.00 1.22 C ATOM 98 CD LYS A 6 -2.510 -9.916 6.249 1.00 1.37 C ATOM 99 CE LYS A 6 -1.148 -10.302 6.830 1.00 1.93 C ATOM 100 NZ LYS A 6 -0.840 -11.733 6.606 1.00 2.09 N ATOM 0 H LYS A 6 -1.136 -5.527 4.486 1.00 0.36 H new ATOM 0 HA LYS A 6 -2.436 -8.123 3.852 1.00 0.39 H new ATOM 0 HB2 LYS A 6 -0.986 -7.766 5.955 1.00 0.54 H new ATOM 0 HB3 LYS A 6 -2.099 -6.498 6.429 1.00 0.54 H new ATOM 0 HG2 LYS A 6 -2.848 -8.331 7.664 1.00 1.22 H new ATOM 0 HG3 LYS A 6 -3.946 -8.315 6.297 1.00 1.22 H new ATOM 0 HD2 LYS A 6 -3.270 -10.597 6.631 1.00 1.37 H new ATOM 0 HD3 LYS A 6 -2.487 -10.039 5.166 1.00 1.37 H new ATOM 0 HE2 LYS A 6 -0.371 -9.687 6.375 1.00 1.93 H new ATOM 0 HE3 LYS A 6 -1.136 -10.091 7.899 1.00 1.93 H new ATOM 0 HZ1 LYS A 6 0.172 -11.901 6.777 1.00 2.09 H new ATOM 0 HZ2 LYS A 6 -1.403 -12.316 7.258 1.00 2.09 H new ATOM 0 HZ3 LYS A 6 -1.072 -11.989 5.625 1.00 2.09 H new ATOM 114 N THR A 7 -4.769 -7.149 3.885 1.00 0.58 N ATOM 115 CA THR A 7 -6.121 -6.699 3.768 1.00 0.78 C ATOM 116 C THR A 7 -6.920 -6.716 5.026 1.00 0.94 C ATOM 117 O THR A 7 -6.405 -6.967 6.114 1.00 0.99 O ATOM 118 CB THR A 7 -6.839 -7.296 2.595 1.00 0.90 C ATOM 119 OG1 THR A 7 -7.251 -8.636 2.817 1.00 0.90 O ATOM 120 CG2 THR A 7 -5.866 -7.289 1.404 1.00 0.92 C ATOM 0 H THR A 7 -4.689 -8.122 3.591 1.00 0.58 H new ATOM 0 HA THR A 7 -6.019 -5.634 3.557 1.00 0.78 H new ATOM 0 HB THR A 7 -7.737 -6.704 2.415 1.00 0.90 H new ATOM 0 HG1 THR A 7 -8.230 -8.681 2.820 1.00 0.90 H new ATOM 0 HG21 THR A 7 -6.357 -7.718 0.530 1.00 0.92 H new ATOM 0 HG22 THR A 7 -5.566 -6.264 1.185 1.00 0.92 H new ATOM 0 HG23 THR A 7 -4.984 -7.880 1.651 1.00 0.92 H new ATOM 128 N LEU A 8 -8.244 -6.506 4.910 1.00 1.17 N ATOM 129 CA LEU A 8 -9.147 -6.598 6.015 1.00 1.39 C ATOM 130 C LEU A 8 -9.481 -7.998 6.399 1.00 1.44 C ATOM 131 O LEU A 8 -9.576 -8.308 7.585 1.00 1.60 O ATOM 132 CB LEU A 8 -10.347 -5.638 5.935 1.00 1.66 C ATOM 133 CG LEU A 8 -9.927 -4.162 5.839 1.00 2.11 C ATOM 134 CD1 LEU A 8 -11.022 -3.303 5.182 1.00 2.53 C ATOM 135 CD2 LEU A 8 -9.686 -3.505 7.208 1.00 2.43 C ATOM 0 H LEU A 8 -8.697 -6.267 4.028 1.00 1.17 H new ATOM 0 HA LEU A 8 -8.586 -6.219 6.869 1.00 1.39 H new ATOM 0 HB2 LEU A 8 -10.954 -5.895 5.067 1.00 1.66 H new ATOM 0 HB3 LEU A 8 -10.975 -5.775 6.815 1.00 1.66 H new ATOM 0 HG LEU A 8 -9.007 -4.190 5.255 1.00 2.11 H new ATOM 0 HD11 LEU A 8 -10.690 -2.266 5.131 1.00 2.53 H new ATOM 0 HD12 LEU A 8 -11.218 -3.671 4.175 1.00 2.53 H new ATOM 0 HD13 LEU A 8 -11.935 -3.363 5.774 1.00 2.53 H new ATOM 0 HD21 LEU A 8 -9.393 -2.465 7.066 1.00 2.43 H new ATOM 0 HD22 LEU A 8 -10.602 -3.547 7.798 1.00 2.43 H new ATOM 0 HD23 LEU A 8 -8.892 -4.037 7.732 1.00 2.43 H new ATOM 147 N THR A 9 -9.620 -8.897 5.408 1.00 1.41 N ATOM 148 CA THR A 9 -10.108 -10.239 5.356 1.00 1.51 C ATOM 149 C THR A 9 -9.027 -11.190 5.739 1.00 1.37 C ATOM 150 O THR A 9 -9.295 -12.246 6.309 1.00 1.62 O ATOM 151 CB THR A 9 -10.540 -10.608 3.968 1.00 1.65 C ATOM 152 OG1 THR A 9 -9.719 -9.903 3.048 1.00 1.89 O ATOM 153 CG2 THR A 9 -12.030 -10.245 3.853 1.00 2.08 C ATOM 0 H THR A 9 -9.332 -8.618 4.470 1.00 1.41 H new ATOM 0 HA THR A 9 -10.953 -10.298 6.042 1.00 1.51 H new ATOM 0 HB THR A 9 -10.428 -11.670 3.748 1.00 1.65 H new ATOM 0 HG1 THR A 9 -9.983 -10.131 2.132 1.00 1.89 H new ATOM 0 HG21 THR A 9 -12.390 -10.497 2.855 1.00 2.08 H new ATOM 0 HG22 THR A 9 -12.599 -10.804 4.596 1.00 2.08 H new ATOM 0 HG23 THR A 9 -12.159 -9.177 4.026 1.00 2.08 H new ATOM 161 N GLY A 10 -7.812 -10.834 5.284 1.00 1.18 N ATOM 162 CA GLY A 10 -6.615 -11.524 5.653 1.00 1.22 C ATOM 163 C GLY A 10 -5.834 -11.956 4.460 1.00 0.99 C ATOM 164 O GLY A 10 -5.287 -13.053 4.565 1.00 1.31 O ATOM 0 H GLY A 10 -7.658 -10.052 4.648 1.00 1.18 H new ATOM 0 HA2 GLY A 10 -5.999 -10.875 6.275 1.00 1.22 H new ATOM 0 HA3 GLY A 10 -6.869 -12.396 6.256 1.00 1.22 H new ATOM 168 N LYS A 11 -5.824 -11.207 3.342 1.00 0.73 N ATOM 169 CA LYS A 11 -5.103 -11.604 2.173 1.00 0.60 C ATOM 170 C LYS A 11 -3.802 -10.878 2.209 1.00 0.51 C ATOM 171 O LYS A 11 -3.765 -9.701 2.565 1.00 0.63 O ATOM 172 CB LYS A 11 -5.889 -11.343 0.876 1.00 0.75 C ATOM 173 CG LYS A 11 -5.502 -12.066 -0.416 1.00 0.87 C ATOM 174 CD LYS A 11 -6.613 -11.857 -1.447 1.00 1.04 C ATOM 175 CE LYS A 11 -6.579 -12.815 -2.638 1.00 1.30 C ATOM 176 NZ LYS A 11 -5.480 -12.440 -3.556 1.00 1.40 N ATOM 0 H LYS A 11 -6.319 -10.320 3.248 1.00 0.73 H new ATOM 0 HA LYS A 11 -4.939 -12.682 2.174 1.00 0.60 H new ATOM 0 HB2 LYS A 11 -6.934 -11.579 1.078 1.00 0.75 H new ATOM 0 HB3 LYS A 11 -5.837 -10.273 0.676 1.00 0.75 H new ATOM 0 HG2 LYS A 11 -4.556 -11.680 -0.796 1.00 0.87 H new ATOM 0 HG3 LYS A 11 -5.359 -13.130 -0.225 1.00 0.87 H new ATOM 0 HD2 LYS A 11 -7.576 -11.958 -0.946 1.00 1.04 H new ATOM 0 HD3 LYS A 11 -6.553 -10.835 -1.821 1.00 1.04 H new ATOM 0 HE2 LYS A 11 -6.440 -13.838 -2.289 1.00 1.30 H new ATOM 0 HE3 LYS A 11 -7.532 -12.786 -3.167 1.00 1.30 H new ATOM 0 HZ1 LYS A 11 -5.069 -13.299 -3.975 1.00 1.40 H new ATOM 0 HZ2 LYS A 11 -5.852 -11.830 -4.312 1.00 1.40 H new ATOM 0 HZ3 LYS A 11 -4.746 -11.927 -3.027 1.00 1.40 H new ATOM 190 N THR A 12 -2.702 -11.575 1.877 1.00 0.49 N ATOM 191 CA THR A 12 -1.416 -10.955 1.812 1.00 0.48 C ATOM 192 C THR A 12 -0.984 -10.830 0.390 1.00 0.52 C ATOM 193 O THR A 12 -1.032 -11.822 -0.335 1.00 0.72 O ATOM 194 CB THR A 12 -0.373 -11.728 2.565 1.00 0.64 C ATOM 195 OG1 THR A 12 -0.790 -12.126 3.863 1.00 0.77 O ATOM 196 CG2 THR A 12 0.920 -10.902 2.661 1.00 0.78 C ATOM 0 H THR A 12 -2.703 -12.570 1.653 1.00 0.49 H new ATOM 0 HA THR A 12 -1.512 -9.972 2.274 1.00 0.48 H new ATOM 0 HB THR A 12 -0.198 -12.645 2.002 1.00 0.64 H new ATOM 0 HG1 THR A 12 -0.222 -12.860 4.178 1.00 0.77 H new ATOM 0 HG21 THR A 12 1.674 -11.468 3.209 1.00 0.78 H new ATOM 0 HG22 THR A 12 1.288 -10.684 1.658 1.00 0.78 H new ATOM 0 HG23 THR A 12 0.717 -9.968 3.184 1.00 0.78 H new ATOM 204 N ILE A 13 -0.731 -9.575 -0.020 1.00 0.48 N ATOM 205 CA ILE A 13 -0.288 -9.263 -1.344 1.00 0.55 C ATOM 206 C ILE A 13 1.165 -8.928 -1.368 1.00 0.51 C ATOM 207 O ILE A 13 1.511 -7.844 -0.899 1.00 0.56 O ATOM 208 CB ILE A 13 -1.054 -8.124 -1.948 1.00 0.69 C ATOM 209 CG1 ILE A 13 -2.567 -8.091 -1.673 1.00 1.15 C ATOM 210 CG2 ILE A 13 -0.881 -8.063 -3.475 1.00 1.13 C ATOM 211 CD1 ILE A 13 -3.104 -6.668 -1.814 1.00 1.55 C ATOM 0 H ILE A 13 -0.836 -8.758 0.582 1.00 0.48 H new ATOM 0 HA ILE A 13 -0.468 -10.160 -1.937 1.00 0.55 H new ATOM 0 HB ILE A 13 -0.611 -7.266 -1.443 1.00 0.69 H new ATOM 0 HG12 ILE A 13 -3.084 -8.752 -2.369 1.00 1.15 H new ATOM 0 HG13 ILE A 13 -2.769 -8.465 -0.669 1.00 1.15 H new ATOM 0 HG21 ILE A 13 -1.452 -7.224 -3.873 1.00 1.13 H new ATOM 0 HG22 ILE A 13 0.174 -7.931 -3.717 1.00 1.13 H new ATOM 0 HG23 ILE A 13 -1.242 -8.991 -3.919 1.00 1.13 H new ATOM 0 HD11 ILE A 13 -4.176 -6.662 -1.616 1.00 1.55 H new ATOM 0 HD12 ILE A 13 -2.600 -6.016 -1.100 1.00 1.55 H new ATOM 0 HD13 ILE A 13 -2.920 -6.308 -2.826 1.00 1.55 H new ATOM 223 N THR A 14 2.040 -9.808 -1.886 1.00 0.55 N ATOM 224 CA THR A 14 3.455 -9.716 -2.060 1.00 0.54 C ATOM 225 C THR A 14 3.810 -8.934 -3.278 1.00 0.55 C ATOM 226 O THR A 14 3.826 -9.376 -4.426 1.00 0.72 O ATOM 227 CB THR A 14 4.150 -11.045 -2.079 1.00 0.67 C ATOM 228 OG1 THR A 14 3.968 -11.765 -0.868 1.00 1.08 O ATOM 229 CG2 THR A 14 5.683 -10.954 -2.166 1.00 1.03 C ATOM 0 H THR A 14 1.701 -10.707 -2.229 1.00 0.55 H new ATOM 0 HA THR A 14 3.815 -9.186 -1.178 1.00 0.54 H new ATOM 0 HB THR A 14 3.711 -11.520 -2.956 1.00 0.67 H new ATOM 0 HG1 THR A 14 4.506 -11.354 -0.159 1.00 1.08 H new ATOM 0 HG21 THR A 14 6.107 -11.958 -2.175 1.00 1.03 H new ATOM 0 HG22 THR A 14 5.965 -10.433 -3.081 1.00 1.03 H new ATOM 0 HG23 THR A 14 6.064 -10.406 -1.304 1.00 1.03 H new ATOM 237 N LEU A 15 4.073 -7.621 -3.153 1.00 0.50 N ATOM 238 CA LEU A 15 4.333 -6.669 -4.187 1.00 0.55 C ATOM 239 C LEU A 15 5.788 -6.419 -4.393 1.00 0.52 C ATOM 240 O LEU A 15 6.477 -6.290 -3.383 1.00 0.58 O ATOM 241 CB LEU A 15 3.699 -5.318 -3.815 1.00 0.69 C ATOM 242 CG LEU A 15 2.182 -5.458 -3.603 1.00 0.76 C ATOM 243 CD1 LEU A 15 1.612 -4.117 -3.108 1.00 1.38 C ATOM 244 CD2 LEU A 15 1.521 -5.728 -4.965 1.00 1.55 C ATOM 0 H LEU A 15 4.106 -7.185 -2.232 1.00 0.50 H new ATOM 0 HA LEU A 15 3.911 -7.089 -5.100 1.00 0.55 H new ATOM 0 HB2 LEU A 15 4.162 -4.933 -2.906 1.00 0.69 H new ATOM 0 HB3 LEU A 15 3.894 -4.592 -4.604 1.00 0.69 H new ATOM 0 HG LEU A 15 1.993 -6.259 -2.888 1.00 0.76 H new ATOM 0 HD11 LEU A 15 0.537 -4.212 -2.957 1.00 1.38 H new ATOM 0 HD12 LEU A 15 2.088 -3.845 -2.166 1.00 1.38 H new ATOM 0 HD13 LEU A 15 1.807 -3.343 -3.850 1.00 1.38 H new ATOM 0 HD21 LEU A 15 0.444 -5.830 -4.833 1.00 1.55 H new ATOM 0 HD22 LEU A 15 1.727 -4.897 -5.640 1.00 1.55 H new ATOM 0 HD23 LEU A 15 1.923 -6.648 -5.389 1.00 1.55 H new ATOM 256 N GLU A 16 6.333 -6.452 -5.622 1.00 0.59 N ATOM 257 CA GLU A 16 7.705 -6.104 -5.824 1.00 0.63 C ATOM 258 C GLU A 16 7.748 -4.649 -6.139 1.00 0.65 C ATOM 259 O GLU A 16 6.996 -4.153 -6.977 1.00 0.81 O ATOM 260 CB GLU A 16 8.492 -6.891 -6.885 1.00 0.76 C ATOM 261 CG GLU A 16 8.625 -8.393 -6.622 1.00 1.41 C ATOM 262 CD GLU A 16 9.649 -9.059 -7.529 1.00 1.52 C ATOM 263 OE1 GLU A 16 10.707 -8.497 -7.917 1.00 1.95 O ATOM 264 OE2 GLU A 16 9.338 -10.213 -7.931 1.00 1.92 O ATOM 0 H GLU A 16 5.829 -6.717 -6.469 1.00 0.59 H new ATOM 0 HA GLU A 16 8.215 -6.374 -4.899 1.00 0.63 H new ATOM 0 HB2 GLU A 16 8.008 -6.750 -7.851 1.00 0.76 H new ATOM 0 HB3 GLU A 16 9.491 -6.463 -6.964 1.00 0.76 H new ATOM 0 HG2 GLU A 16 8.909 -8.552 -5.582 1.00 1.41 H new ATOM 0 HG3 GLU A 16 7.655 -8.870 -6.764 1.00 1.41 H new ATOM 271 N VAL A 17 8.564 -3.917 -5.360 1.00 0.61 N ATOM 272 CA VAL A 17 8.651 -2.491 -5.408 1.00 0.63 C ATOM 273 C VAL A 17 10.097 -2.133 -5.419 1.00 0.65 C ATOM 274 O VAL A 17 10.984 -2.982 -5.356 1.00 0.76 O ATOM 275 CB VAL A 17 7.967 -1.871 -4.225 1.00 0.70 C ATOM 276 CG1 VAL A 17 6.492 -2.281 -4.086 1.00 0.96 C ATOM 277 CG2 VAL A 17 8.621 -2.189 -2.870 1.00 0.92 C ATOM 0 H VAL A 17 9.188 -4.335 -4.670 1.00 0.61 H new ATOM 0 HA VAL A 17 8.153 -2.114 -6.301 1.00 0.63 H new ATOM 0 HB VAL A 17 8.061 -0.808 -4.445 1.00 0.70 H new ATOM 0 HG11 VAL A 17 6.061 -1.796 -3.210 1.00 0.96 H new ATOM 0 HG12 VAL A 17 5.944 -1.975 -4.977 1.00 0.96 H new ATOM 0 HG13 VAL A 17 6.424 -3.363 -3.972 1.00 0.96 H new ATOM 0 HG21 VAL A 17 8.061 -1.701 -2.072 1.00 0.92 H new ATOM 0 HG22 VAL A 17 8.617 -3.267 -2.708 1.00 0.92 H new ATOM 0 HG23 VAL A 17 9.649 -1.825 -2.868 1.00 0.92 H new ATOM 287 N GLU A 18 10.409 -0.833 -5.568 1.00 0.68 N ATOM 288 CA GLU A 18 11.705 -0.312 -5.261 1.00 0.74 C ATOM 289 C GLU A 18 11.534 0.825 -4.315 1.00 0.71 C ATOM 290 O GLU A 18 10.397 1.272 -4.169 1.00 0.74 O ATOM 291 CB GLU A 18 12.409 0.245 -6.510 1.00 0.88 C ATOM 292 CG GLU A 18 12.809 -0.791 -7.561 1.00 1.16 C ATOM 293 CD GLU A 18 13.860 -1.801 -7.122 1.00 1.71 C ATOM 294 OE1 GLU A 18 14.489 -1.572 -6.054 1.00 2.33 O ATOM 295 OE2 GLU A 18 13.931 -2.915 -7.705 1.00 2.35 O ATOM 0 H GLU A 18 9.750 -0.132 -5.907 1.00 0.68 H new ATOM 0 HA GLU A 18 12.304 -1.122 -4.845 1.00 0.74 H new ATOM 0 HB2 GLU A 18 11.752 0.977 -6.979 1.00 0.88 H new ATOM 0 HB3 GLU A 18 13.305 0.778 -6.192 1.00 0.88 H new ATOM 0 HG2 GLU A 18 11.915 -1.334 -7.869 1.00 1.16 H new ATOM 0 HG3 GLU A 18 13.181 -0.265 -8.440 1.00 1.16 H new ATOM 302 N PRO A 19 12.447 1.318 -3.531 1.00 0.74 N ATOM 303 CA PRO A 19 12.141 2.312 -2.544 1.00 0.74 C ATOM 304 C PRO A 19 12.007 3.646 -3.192 1.00 0.70 C ATOM 305 O PRO A 19 11.592 4.601 -2.537 1.00 0.74 O ATOM 306 CB PRO A 19 13.401 2.246 -1.685 1.00 0.86 C ATOM 307 CG PRO A 19 14.549 1.635 -2.505 1.00 0.95 C ATOM 308 CD PRO A 19 13.794 0.768 -3.524 1.00 0.82 C ATOM 0 HA PRO A 19 11.212 2.156 -1.995 1.00 0.74 H new ATOM 0 HB2 PRO A 19 13.675 3.245 -1.344 1.00 0.86 H new ATOM 0 HB3 PRO A 19 13.216 1.645 -0.795 1.00 0.86 H new ATOM 0 HG2 PRO A 19 15.155 2.400 -2.991 1.00 0.95 H new ATOM 0 HG3 PRO A 19 15.222 1.042 -1.885 1.00 0.95 H new ATOM 0 HD2 PRO A 19 14.252 0.824 -4.511 1.00 0.82 H new ATOM 0 HD3 PRO A 19 13.794 -0.282 -3.231 1.00 0.82 H new ATOM 316 N SER A 20 12.364 3.825 -4.477 1.00 0.70 N ATOM 317 CA SER A 20 12.230 4.969 -5.325 1.00 0.74 C ATOM 318 C SER A 20 10.856 5.160 -5.871 1.00 0.71 C ATOM 319 O SER A 20 10.582 6.276 -6.308 1.00 0.80 O ATOM 320 CB SER A 20 13.255 4.934 -6.471 1.00 0.89 C ATOM 321 OG SER A 20 13.329 3.664 -7.102 1.00 1.45 O ATOM 0 H SER A 20 12.807 3.059 -4.985 1.00 0.70 H new ATOM 0 HA SER A 20 12.430 5.828 -4.684 1.00 0.74 H new ATOM 0 HB2 SER A 20 12.991 5.688 -7.212 1.00 0.89 H new ATOM 0 HB3 SER A 20 14.238 5.200 -6.082 1.00 0.89 H new ATOM 0 HG SER A 20 13.992 3.695 -7.823 1.00 1.45 H new ATOM 327 N ASP A 21 10.008 4.119 -5.951 1.00 0.70 N ATOM 328 CA ASP A 21 8.643 4.149 -6.376 1.00 0.73 C ATOM 329 C ASP A 21 7.802 4.885 -5.391 1.00 0.64 C ATOM 330 O ASP A 21 7.926 4.756 -4.174 1.00 0.66 O ATOM 331 CB ASP A 21 8.080 2.749 -6.675 1.00 0.87 C ATOM 332 CG ASP A 21 8.968 2.031 -7.682 1.00 1.05 C ATOM 333 OD1 ASP A 21 9.350 2.678 -8.693 1.00 1.69 O ATOM 334 OD2 ASP A 21 9.227 0.799 -7.622 1.00 1.50 O ATOM 0 H ASP A 21 10.305 3.177 -5.696 1.00 0.70 H new ATOM 0 HA ASP A 21 8.613 4.690 -7.322 1.00 0.73 H new ATOM 0 HB2 ASP A 21 8.019 2.169 -5.754 1.00 0.87 H new ATOM 0 HB3 ASP A 21 7.066 2.832 -7.067 1.00 0.87 H new ATOM 339 N THR A 22 6.828 5.644 -5.924 1.00 0.63 N ATOM 340 CA THR A 22 5.855 6.351 -5.150 1.00 0.58 C ATOM 341 C THR A 22 4.762 5.480 -4.634 1.00 0.53 C ATOM 342 O THR A 22 4.498 4.358 -5.066 1.00 0.58 O ATOM 343 CB THR A 22 5.242 7.506 -5.884 1.00 0.63 C ATOM 344 OG1 THR A 22 4.799 7.107 -7.173 1.00 0.70 O ATOM 345 CG2 THR A 22 6.294 8.610 -6.078 1.00 0.75 C ATOM 0 H THR A 22 6.714 5.770 -6.930 1.00 0.63 H new ATOM 0 HA THR A 22 6.426 6.733 -4.304 1.00 0.58 H new ATOM 0 HB THR A 22 4.398 7.866 -5.296 1.00 0.63 H new ATOM 0 HG1 THR A 22 4.401 7.875 -7.634 1.00 0.70 H new ATOM 0 HG21 THR A 22 5.847 9.449 -6.612 1.00 0.75 H new ATOM 0 HG22 THR A 22 6.651 8.948 -5.105 1.00 0.75 H new ATOM 0 HG23 THR A 22 7.131 8.217 -6.655 1.00 0.75 H new ATOM 353 N ILE A 23 4.026 6.022 -3.647 1.00 0.51 N ATOM 354 CA ILE A 23 2.841 5.470 -3.068 1.00 0.48 C ATOM 355 C ILE A 23 1.774 5.292 -4.092 1.00 0.48 C ATOM 356 O ILE A 23 1.031 4.311 -4.067 1.00 0.51 O ATOM 357 CB ILE A 23 2.317 6.161 -1.843 1.00 0.52 C ATOM 358 CG1 ILE A 23 3.391 6.209 -0.743 1.00 0.60 C ATOM 359 CG2 ILE A 23 0.998 5.575 -1.313 1.00 0.61 C ATOM 360 CD1 ILE A 23 4.265 5.005 -0.396 1.00 0.73 C ATOM 0 H ILE A 23 4.280 6.914 -3.223 1.00 0.51 H new ATOM 0 HA ILE A 23 3.158 4.495 -2.698 1.00 0.48 H new ATOM 0 HB ILE A 23 2.079 7.180 -2.149 1.00 0.52 H new ATOM 0 HG12 ILE A 23 4.069 7.021 -1.004 1.00 0.60 H new ATOM 0 HG13 ILE A 23 2.883 6.501 0.176 1.00 0.60 H new ATOM 0 HG21 ILE A 23 0.684 6.127 -0.427 1.00 0.61 H new ATOM 0 HG22 ILE A 23 0.229 5.655 -2.082 1.00 0.61 H new ATOM 0 HG23 ILE A 23 1.144 4.526 -1.054 1.00 0.61 H new ATOM 0 HD11 ILE A 23 4.949 5.272 0.409 1.00 0.73 H new ATOM 0 HD12 ILE A 23 3.633 4.177 -0.075 1.00 0.73 H new ATOM 0 HD13 ILE A 23 4.837 4.706 -1.274 1.00 0.73 H new ATOM 372 N GLU A 24 1.710 6.181 -5.099 1.00 0.50 N ATOM 373 CA GLU A 24 0.863 6.079 -6.246 1.00 0.53 C ATOM 374 C GLU A 24 1.169 4.896 -7.098 1.00 0.50 C ATOM 375 O GLU A 24 0.224 4.256 -7.556 1.00 0.55 O ATOM 376 CB GLU A 24 0.879 7.399 -7.036 1.00 0.64 C ATOM 377 CG GLU A 24 0.258 7.339 -8.433 1.00 0.95 C ATOM 378 CD GLU A 24 0.523 8.586 -9.266 1.00 1.05 C ATOM 379 OE1 GLU A 24 1.547 8.643 -9.999 1.00 1.56 O ATOM 380 OE2 GLU A 24 -0.283 9.554 -9.250 1.00 1.62 O ATOM 0 H GLU A 24 2.286 7.023 -5.112 1.00 0.50 H new ATOM 0 HA GLU A 24 -0.153 5.909 -5.890 1.00 0.53 H new ATOM 0 HB2 GLU A 24 0.352 8.156 -6.455 1.00 0.64 H new ATOM 0 HB3 GLU A 24 1.912 7.733 -7.131 1.00 0.64 H new ATOM 0 HG2 GLU A 24 0.650 6.469 -8.960 1.00 0.95 H new ATOM 0 HG3 GLU A 24 -0.818 7.196 -8.338 1.00 0.95 H new ATOM 387 N ASN A 25 2.472 4.665 -7.341 1.00 0.51 N ATOM 388 CA ASN A 25 2.958 3.471 -7.959 1.00 0.52 C ATOM 389 C ASN A 25 2.653 2.225 -7.199 1.00 0.47 C ATOM 390 O ASN A 25 2.502 1.213 -7.880 1.00 0.53 O ATOM 391 CB ASN A 25 4.471 3.493 -8.233 1.00 0.64 C ATOM 392 CG ASN A 25 5.004 4.628 -9.096 1.00 1.23 C ATOM 393 OD1 ASN A 25 6.131 5.044 -8.830 1.00 2.13 O ATOM 394 ND2 ASN A 25 4.307 5.273 -10.070 1.00 1.57 N ATOM 0 H ASN A 25 3.209 5.328 -7.100 1.00 0.51 H new ATOM 0 HA ASN A 25 2.415 3.454 -8.904 1.00 0.52 H new ATOM 0 HB2 ASN A 25 4.988 3.526 -7.274 1.00 0.64 H new ATOM 0 HB3 ASN A 25 4.742 2.551 -8.709 1.00 0.64 H new ATOM 0 HD21 ASN A 25 4.722 6.071 -10.551 1.00 1.57 H new ATOM 0 HD22 ASN A 25 3.369 4.958 -10.320 1.00 1.57 H new ATOM 401 N VAL A 26 2.453 2.108 -5.874 1.00 0.45 N ATOM 402 CA VAL A 26 2.144 0.912 -5.153 1.00 0.44 C ATOM 403 C VAL A 26 0.676 0.663 -5.201 1.00 0.40 C ATOM 404 O VAL A 26 0.290 -0.496 -5.337 1.00 0.44 O ATOM 405 CB VAL A 26 2.849 0.807 -3.832 1.00 0.50 C ATOM 406 CG1 VAL A 26 2.605 -0.503 -3.063 1.00 0.60 C ATOM 407 CG2 VAL A 26 4.369 0.999 -3.966 1.00 0.62 C ATOM 0 H VAL A 26 2.513 2.918 -5.257 1.00 0.45 H new ATOM 0 HA VAL A 26 2.578 0.045 -5.651 1.00 0.44 H new ATOM 0 HB VAL A 26 2.404 1.618 -3.255 1.00 0.50 H new ATOM 0 HG11 VAL A 26 3.157 -0.481 -2.123 1.00 0.60 H new ATOM 0 HG12 VAL A 26 1.540 -0.611 -2.856 1.00 0.60 H new ATOM 0 HG13 VAL A 26 2.945 -1.346 -3.664 1.00 0.60 H new ATOM 0 HG21 VAL A 26 4.834 0.914 -2.984 1.00 0.62 H new ATOM 0 HG22 VAL A 26 4.775 0.234 -4.627 1.00 0.62 H new ATOM 0 HG23 VAL A 26 4.576 1.985 -4.382 1.00 0.62 H new ATOM 417 N LYS A 27 -0.230 1.645 -5.366 1.00 0.40 N ATOM 418 CA LYS A 27 -1.599 1.268 -5.534 1.00 0.41 C ATOM 419 C LYS A 27 -1.837 0.739 -6.908 1.00 0.38 C ATOM 420 O LYS A 27 -2.629 -0.181 -7.106 1.00 0.42 O ATOM 421 CB LYS A 27 -2.398 2.554 -5.264 1.00 0.51 C ATOM 422 CG LYS A 27 -2.246 2.961 -3.797 1.00 0.76 C ATOM 423 CD LYS A 27 -2.820 4.374 -3.673 1.00 0.82 C ATOM 424 CE LYS A 27 -2.801 4.758 -2.192 1.00 1.22 C ATOM 425 NZ LYS A 27 -3.574 6.012 -2.052 1.00 1.11 N ATOM 0 H LYS A 27 -0.032 2.645 -5.383 1.00 0.40 H new ATOM 0 HA LYS A 27 -1.898 0.467 -4.858 1.00 0.41 H new ATOM 0 HB2 LYS A 27 -2.044 3.356 -5.912 1.00 0.51 H new ATOM 0 HB3 LYS A 27 -3.450 2.395 -5.500 1.00 0.51 H new ATOM 0 HG2 LYS A 27 -2.779 2.268 -3.146 1.00 0.76 H new ATOM 0 HG3 LYS A 27 -1.199 2.941 -3.496 1.00 0.76 H new ATOM 0 HD2 LYS A 27 -2.229 5.079 -4.258 1.00 0.82 H new ATOM 0 HD3 LYS A 27 -3.837 4.409 -4.064 1.00 0.82 H new ATOM 0 HE2 LYS A 27 -3.240 3.967 -1.584 1.00 1.22 H new ATOM 0 HE3 LYS A 27 -1.777 4.897 -1.844 1.00 1.22 H new ATOM 0 HZ1 LYS A 27 -3.197 6.565 -1.256 1.00 1.11 H new ATOM 0 HZ2 LYS A 27 -3.496 6.568 -2.928 1.00 1.11 H new ATOM 0 HZ3 LYS A 27 -4.573 5.786 -1.874 1.00 1.11 H new ATOM 439 N ALA A 28 -1.090 1.219 -7.918 1.00 0.39 N ATOM 440 CA ALA A 28 -1.138 0.729 -9.261 1.00 0.39 C ATOM 441 C ALA A 28 -0.762 -0.711 -9.347 1.00 0.36 C ATOM 442 O ALA A 28 -1.336 -1.494 -10.102 1.00 0.42 O ATOM 443 CB ALA A 28 -0.172 1.495 -10.180 1.00 0.51 C ATOM 0 H ALA A 28 -0.424 1.981 -7.794 1.00 0.39 H new ATOM 0 HA ALA A 28 -2.170 0.870 -9.581 1.00 0.39 H new ATOM 0 HB1 ALA A 28 -0.237 1.094 -11.191 1.00 0.51 H new ATOM 0 HB2 ALA A 28 -0.440 2.551 -10.190 1.00 0.51 H new ATOM 0 HB3 ALA A 28 0.847 1.383 -9.810 1.00 0.51 H new ATOM 449 N LYS A 29 0.255 -1.193 -8.611 1.00 0.39 N ATOM 450 CA LYS A 29 0.679 -2.554 -8.497 1.00 0.43 C ATOM 451 C LYS A 29 -0.422 -3.417 -7.984 1.00 0.44 C ATOM 452 O LYS A 29 -0.703 -4.510 -8.473 1.00 0.54 O ATOM 453 CB LYS A 29 1.889 -2.605 -7.550 1.00 0.54 C ATOM 454 CG LYS A 29 3.156 -2.174 -8.290 1.00 0.65 C ATOM 455 CD LYS A 29 4.285 -2.188 -7.258 1.00 1.08 C ATOM 456 CE LYS A 29 5.339 -1.200 -7.762 1.00 1.24 C ATOM 457 NZ LYS A 29 5.779 -1.398 -9.160 1.00 1.44 N ATOM 0 H LYS A 29 0.832 -0.571 -8.045 1.00 0.39 H new ATOM 0 HA LYS A 29 0.956 -2.933 -9.481 1.00 0.43 H new ATOM 0 HB2 LYS A 29 1.718 -1.952 -6.694 1.00 0.54 H new ATOM 0 HB3 LYS A 29 2.013 -3.615 -7.160 1.00 0.54 H new ATOM 0 HG2 LYS A 29 3.375 -2.853 -9.114 1.00 0.65 H new ATOM 0 HG3 LYS A 29 3.035 -1.180 -8.720 1.00 0.65 H new ATOM 0 HD2 LYS A 29 3.917 -1.896 -6.275 1.00 1.08 H new ATOM 0 HD3 LYS A 29 4.706 -3.188 -7.156 1.00 1.08 H new ATOM 0 HE2 LYS A 29 4.941 -0.190 -7.664 1.00 1.24 H new ATOM 0 HE3 LYS A 29 6.212 -1.263 -7.112 1.00 1.24 H new ATOM 0 HZ1 LYS A 29 6.636 -0.836 -9.337 1.00 1.44 H new ATOM 0 HZ2 LYS A 29 5.986 -2.405 -9.319 1.00 1.44 H new ATOM 0 HZ3 LYS A 29 5.025 -1.093 -9.808 1.00 1.44 H new ATOM 471 N ILE A 30 -1.155 -3.004 -6.936 1.00 0.41 N ATOM 472 CA ILE A 30 -2.319 -3.670 -6.439 1.00 0.44 C ATOM 473 C ILE A 30 -3.416 -3.828 -7.433 1.00 0.45 C ATOM 474 O ILE A 30 -4.087 -4.859 -7.456 1.00 0.56 O ATOM 475 CB ILE A 30 -2.739 -2.967 -5.182 1.00 0.45 C ATOM 476 CG1 ILE A 30 -1.577 -3.079 -4.180 1.00 0.52 C ATOM 477 CG2 ILE A 30 -4.033 -3.567 -4.607 1.00 0.56 C ATOM 478 CD1 ILE A 30 -1.709 -2.594 -2.736 1.00 1.32 C ATOM 0 H ILE A 30 -0.924 -2.162 -6.408 1.00 0.41 H new ATOM 0 HA ILE A 30 -2.065 -4.707 -6.217 1.00 0.44 H new ATOM 0 HB ILE A 30 -2.957 -1.920 -5.393 1.00 0.45 H new ATOM 0 HG12 ILE A 30 -1.300 -4.132 -4.135 1.00 0.52 H new ATOM 0 HG13 ILE A 30 -0.732 -2.546 -4.616 1.00 0.52 H new ATOM 0 HG21 ILE A 30 -4.308 -3.034 -3.697 1.00 0.56 H new ATOM 0 HG22 ILE A 30 -4.835 -3.472 -5.339 1.00 0.56 H new ATOM 0 HG23 ILE A 30 -3.875 -4.620 -4.377 1.00 0.56 H new ATOM 0 HD11 ILE A 30 -0.772 -2.769 -2.206 1.00 1.32 H new ATOM 0 HD12 ILE A 30 -1.936 -1.528 -2.730 1.00 1.32 H new ATOM 0 HD13 ILE A 30 -2.513 -3.139 -2.241 1.00 1.32 H new ATOM 490 N GLN A 31 -3.547 -2.836 -8.332 1.00 0.41 N ATOM 491 CA GLN A 31 -4.551 -2.826 -9.350 1.00 0.48 C ATOM 492 C GLN A 31 -4.416 -3.811 -10.459 1.00 0.52 C ATOM 493 O GLN A 31 -5.404 -4.340 -10.966 1.00 0.66 O ATOM 494 CB GLN A 31 -4.570 -1.359 -9.814 1.00 0.52 C ATOM 495 CG GLN A 31 -5.776 -0.969 -10.672 1.00 0.70 C ATOM 496 CD GLN A 31 -5.648 -1.393 -12.128 1.00 0.97 C ATOM 497 OE1 GLN A 31 -4.677 -1.025 -12.788 1.00 1.70 O ATOM 498 NE2 GLN A 31 -6.684 -2.053 -12.710 1.00 1.43 N ATOM 0 H GLN A 31 -2.938 -2.018 -8.351 1.00 0.41 H new ATOM 0 HA GLN A 31 -5.501 -3.173 -8.943 1.00 0.48 H new ATOM 0 HB2 GLN A 31 -4.545 -0.715 -8.935 1.00 0.52 H new ATOM 0 HB3 GLN A 31 -3.660 -1.161 -10.381 1.00 0.52 H new ATOM 0 HG2 GLN A 31 -6.674 -1.419 -10.248 1.00 0.70 H new ATOM 0 HG3 GLN A 31 -5.910 0.112 -10.627 1.00 0.70 H new ATOM 0 HE21 GLN A 31 -7.480 -2.350 -12.146 1.00 1.43 H new ATOM 0 HE22 GLN A 31 -6.665 -2.251 -13.710 1.00 1.43 H new ATOM 507 N ASP A 32 -3.150 -4.075 -10.828 1.00 0.50 N ATOM 508 CA ASP A 32 -2.815 -5.211 -11.631 1.00 0.60 C ATOM 509 C ASP A 32 -2.878 -6.540 -10.958 1.00 0.65 C ATOM 510 O ASP A 32 -3.357 -7.559 -11.452 1.00 0.81 O ATOM 511 CB ASP A 32 -1.422 -4.851 -12.173 1.00 0.67 C ATOM 512 CG ASP A 32 -0.972 -5.841 -13.237 1.00 0.91 C ATOM 513 OD1 ASP A 32 -1.677 -5.866 -14.281 1.00 1.55 O ATOM 514 OD2 ASP A 32 0.078 -6.501 -13.014 1.00 1.51 O ATOM 0 H ASP A 32 -2.351 -3.496 -10.568 1.00 0.50 H new ATOM 0 HA ASP A 32 -3.559 -5.373 -12.411 1.00 0.60 H new ATOM 0 HB2 ASP A 32 -1.441 -3.845 -12.593 1.00 0.67 H new ATOM 0 HB3 ASP A 32 -0.702 -4.841 -11.355 1.00 0.67 H new ATOM 519 N LYS A 33 -2.286 -6.661 -9.757 1.00 0.62 N ATOM 520 CA LYS A 33 -2.169 -7.916 -9.082 1.00 0.73 C ATOM 521 C LYS A 33 -3.527 -8.434 -8.748 1.00 0.69 C ATOM 522 O LYS A 33 -4.045 -9.439 -9.231 1.00 0.83 O ATOM 523 CB LYS A 33 -1.178 -7.830 -7.909 1.00 0.85 C ATOM 524 CG LYS A 33 -0.849 -9.129 -7.173 1.00 1.31 C ATOM 525 CD LYS A 33 -0.045 -10.141 -7.992 1.00 1.71 C ATOM 526 CE LYS A 33 0.841 -11.120 -7.218 1.00 2.26 C ATOM 527 NZ LYS A 33 -0.076 -11.959 -6.415 1.00 2.62 N ATOM 0 H LYS A 33 -1.882 -5.876 -9.246 1.00 0.62 H new ATOM 0 HA LYS A 33 -1.725 -8.664 -9.739 1.00 0.73 H new ATOM 0 HB2 LYS A 33 -0.245 -7.410 -8.285 1.00 0.85 H new ATOM 0 HB3 LYS A 33 -1.576 -7.122 -7.182 1.00 0.85 H new ATOM 0 HG2 LYS A 33 -0.290 -8.887 -6.269 1.00 1.31 H new ATOM 0 HG3 LYS A 33 -1.781 -9.597 -6.856 1.00 1.31 H new ATOM 0 HD2 LYS A 33 -0.745 -10.721 -8.593 1.00 1.71 H new ATOM 0 HD3 LYS A 33 0.588 -9.588 -8.685 1.00 1.71 H new ATOM 0 HE2 LYS A 33 1.433 -11.732 -7.899 1.00 2.26 H new ATOM 0 HE3 LYS A 33 1.543 -10.587 -6.577 1.00 2.26 H new ATOM 0 HZ1 LYS A 33 0.468 -12.702 -5.930 1.00 2.62 H new ATOM 0 HZ2 LYS A 33 -0.559 -11.367 -5.709 1.00 2.62 H new ATOM 0 HZ3 LYS A 33 -0.781 -12.398 -7.040 1.00 2.62 H new ATOM 541 N GLU A 34 -4.232 -7.716 -7.855 1.00 0.63 N ATOM 542 CA GLU A 34 -5.441 -8.083 -7.185 1.00 0.67 C ATOM 543 C GLU A 34 -6.633 -7.573 -7.919 1.00 0.69 C ATOM 544 O GLU A 34 -7.548 -8.333 -8.234 1.00 0.95 O ATOM 545 CB GLU A 34 -5.524 -7.438 -5.792 1.00 0.73 C ATOM 546 CG GLU A 34 -4.534 -8.186 -4.897 1.00 0.83 C ATOM 547 CD GLU A 34 -4.990 -9.624 -4.699 1.00 0.95 C ATOM 548 OE1 GLU A 34 -6.150 -9.802 -4.243 1.00 1.37 O ATOM 549 OE2 GLU A 34 -4.319 -10.541 -5.245 1.00 1.48 O ATOM 0 H GLU A 34 -3.922 -6.785 -7.576 1.00 0.63 H new ATOM 0 HA GLU A 34 -5.432 -9.171 -7.126 1.00 0.67 H new ATOM 0 HB2 GLU A 34 -5.275 -6.378 -5.842 1.00 0.73 H new ATOM 0 HB3 GLU A 34 -6.536 -7.509 -5.393 1.00 0.73 H new ATOM 0 HG2 GLU A 34 -3.541 -8.170 -5.347 1.00 0.83 H new ATOM 0 HG3 GLU A 34 -4.455 -7.686 -3.932 1.00 0.83 H new ATOM 556 N GLY A 35 -6.613 -6.260 -8.215 1.00 0.63 N ATOM 557 CA GLY A 35 -7.672 -5.615 -8.927 1.00 0.68 C ATOM 558 C GLY A 35 -8.560 -4.828 -8.027 1.00 0.76 C ATOM 559 O GLY A 35 -9.696 -5.219 -7.763 1.00 1.12 O ATOM 0 H GLY A 35 -5.849 -5.637 -7.955 1.00 0.63 H new ATOM 0 HA2 GLY A 35 -7.249 -4.955 -9.684 1.00 0.68 H new ATOM 0 HA3 GLY A 35 -8.263 -6.365 -9.452 1.00 0.68 H new ATOM 563 N ILE A 36 -8.053 -3.678 -7.545 1.00 0.70 N ATOM 564 CA ILE A 36 -8.667 -2.812 -6.588 1.00 0.76 C ATOM 565 C ILE A 36 -8.372 -1.460 -7.143 1.00 0.71 C ATOM 566 O ILE A 36 -7.186 -1.185 -7.316 1.00 0.73 O ATOM 567 CB ILE A 36 -8.072 -2.944 -5.218 1.00 0.88 C ATOM 568 CG1 ILE A 36 -8.123 -4.396 -4.713 1.00 0.91 C ATOM 569 CG2 ILE A 36 -8.817 -2.050 -4.212 1.00 1.55 C ATOM 570 CD1 ILE A 36 -7.733 -4.523 -3.241 1.00 1.16 C ATOM 0 H ILE A 36 -7.144 -3.329 -7.849 1.00 0.70 H new ATOM 0 HA ILE A 36 -9.726 -3.032 -6.455 1.00 0.76 H new ATOM 0 HB ILE A 36 -7.031 -2.631 -5.296 1.00 0.88 H new ATOM 0 HG12 ILE A 36 -9.130 -4.790 -4.853 1.00 0.91 H new ATOM 0 HG13 ILE A 36 -7.454 -5.010 -5.316 1.00 0.91 H new ATOM 0 HG21 ILE A 36 -8.369 -2.161 -3.225 1.00 1.55 H new ATOM 0 HG22 ILE A 36 -8.745 -1.009 -4.528 1.00 1.55 H new ATOM 0 HG23 ILE A 36 -9.865 -2.345 -4.170 1.00 1.55 H new ATOM 0 HD11 ILE A 36 -7.787 -5.569 -2.939 1.00 1.16 H new ATOM 0 HD12 ILE A 36 -6.716 -4.157 -3.101 1.00 1.16 H new ATOM 0 HD13 ILE A 36 -8.418 -3.934 -2.631 1.00 1.16 H new ATOM 582 N PRO A 37 -9.279 -0.616 -7.533 1.00 0.75 N ATOM 583 CA PRO A 37 -8.929 0.689 -8.016 1.00 0.79 C ATOM 584 C PRO A 37 -8.153 1.512 -7.046 1.00 0.75 C ATOM 585 O PRO A 37 -8.478 1.298 -5.880 1.00 0.75 O ATOM 586 CB PRO A 37 -10.317 1.323 -8.071 1.00 0.95 C ATOM 587 CG PRO A 37 -11.205 0.156 -8.530 1.00 1.02 C ATOM 588 CD PRO A 37 -10.600 -1.107 -7.896 1.00 0.85 C ATOM 0 HA PRO A 37 -8.327 0.634 -8.923 1.00 0.79 H new ATOM 0 HB2 PRO A 37 -10.625 1.708 -7.099 1.00 0.95 H new ATOM 0 HB3 PRO A 37 -10.353 2.158 -8.770 1.00 0.95 H new ATOM 0 HG2 PRO A 37 -12.236 0.299 -8.208 1.00 1.02 H new ATOM 0 HG3 PRO A 37 -11.219 0.079 -9.617 1.00 1.02 H new ATOM 0 HD2 PRO A 37 -11.167 -1.449 -7.030 1.00 0.85 H new ATOM 0 HD3 PRO A 37 -10.554 -1.941 -8.596 1.00 0.85 H new ATOM 596 N PRO A 38 -7.191 2.328 -7.363 1.00 0.81 N ATOM 597 CA PRO A 38 -6.513 3.112 -6.373 1.00 0.85 C ATOM 598 C PRO A 38 -7.355 4.091 -5.628 1.00 0.89 C ATOM 599 O PRO A 38 -6.975 4.648 -4.599 1.00 0.99 O ATOM 600 CB PRO A 38 -5.382 3.777 -7.154 1.00 1.01 C ATOM 601 CG PRO A 38 -5.078 2.787 -8.289 1.00 1.25 C ATOM 602 CD PRO A 38 -6.438 2.140 -8.594 1.00 0.98 C ATOM 0 HA PRO A 38 -6.168 2.478 -5.556 1.00 0.85 H new ATOM 0 HB2 PRO A 38 -5.684 4.749 -7.543 1.00 1.01 H new ATOM 0 HB3 PRO A 38 -4.507 3.943 -6.525 1.00 1.01 H new ATOM 0 HG2 PRO A 38 -4.673 3.295 -9.164 1.00 1.25 H new ATOM 0 HG3 PRO A 38 -4.342 2.043 -7.983 1.00 1.25 H new ATOM 0 HD2 PRO A 38 -6.929 2.619 -9.441 1.00 0.98 H new ATOM 0 HD3 PRO A 38 -6.333 1.084 -8.842 1.00 0.98 H new ATOM 610 N ASP A 39 -8.555 4.384 -6.159 1.00 0.96 N ATOM 611 CA ASP A 39 -9.517 5.206 -5.493 1.00 1.11 C ATOM 612 C ASP A 39 -10.052 4.672 -4.209 1.00 1.00 C ATOM 613 O ASP A 39 -10.207 5.334 -3.184 1.00 1.14 O ATOM 614 CB ASP A 39 -10.654 5.292 -6.524 1.00 1.39 C ATOM 615 CG ASP A 39 -10.142 6.010 -7.764 1.00 1.73 C ATOM 616 OD1 ASP A 39 -9.854 7.234 -7.827 1.00 2.23 O ATOM 617 OD2 ASP A 39 -10.161 5.348 -8.836 1.00 2.25 O ATOM 0 H ASP A 39 -8.864 4.043 -7.069 1.00 0.96 H new ATOM 0 HA ASP A 39 -9.059 6.150 -5.197 1.00 1.11 H new ATOM 0 HB2 ASP A 39 -11.003 4.293 -6.784 1.00 1.39 H new ATOM 0 HB3 ASP A 39 -11.505 5.827 -6.103 1.00 1.39 H new ATOM 622 N GLN A 40 -10.208 3.337 -4.139 1.00 0.87 N ATOM 623 CA GLN A 40 -10.743 2.615 -3.027 1.00 0.84 C ATOM 624 C GLN A 40 -9.681 2.412 -2.002 1.00 0.67 C ATOM 625 O GLN A 40 -9.905 2.106 -0.832 1.00 0.80 O ATOM 626 CB GLN A 40 -11.426 1.301 -3.443 1.00 0.95 C ATOM 627 CG GLN A 40 -12.725 1.497 -4.229 1.00 1.32 C ATOM 628 CD GLN A 40 -13.289 0.257 -4.908 1.00 1.48 C ATOM 629 OE1 GLN A 40 -13.536 0.165 -6.110 1.00 1.70 O ATOM 630 NE2 GLN A 40 -13.636 -0.731 -4.040 1.00 2.02 N ATOM 0 H GLN A 40 -9.943 2.724 -4.910 1.00 0.87 H new ATOM 0 HA GLN A 40 -11.537 3.215 -2.582 1.00 0.84 H new ATOM 0 HB2 GLN A 40 -10.732 0.718 -4.048 1.00 0.95 H new ATOM 0 HB3 GLN A 40 -11.639 0.715 -2.549 1.00 0.95 H new ATOM 0 HG2 GLN A 40 -13.481 1.890 -3.550 1.00 1.32 H new ATOM 0 HG3 GLN A 40 -12.554 2.258 -4.991 1.00 1.32 H new ATOM 0 HE21 GLN A 40 -13.422 -0.636 -3.047 1.00 2.02 H new ATOM 0 HE22 GLN A 40 -14.110 -1.567 -4.382 1.00 2.02 H new ATOM 639 N GLN A 41 -8.422 2.495 -2.467 1.00 0.56 N ATOM 640 CA GLN A 41 -7.239 2.215 -1.714 1.00 0.51 C ATOM 641 C GLN A 41 -6.765 3.332 -0.848 1.00 0.49 C ATOM 642 O GLN A 41 -6.055 4.251 -1.250 1.00 0.65 O ATOM 643 CB GLN A 41 -6.027 1.693 -2.503 1.00 0.67 C ATOM 644 CG GLN A 41 -6.235 0.403 -3.297 1.00 0.69 C ATOM 645 CD GLN A 41 -5.012 0.096 -4.150 1.00 0.56 C ATOM 646 OE1 GLN A 41 -3.917 0.175 -3.595 1.00 0.66 O ATOM 647 NE2 GLN A 41 -5.189 -0.280 -5.445 1.00 0.61 N ATOM 0 H GLN A 41 -8.218 2.774 -3.427 1.00 0.56 H new ATOM 0 HA GLN A 41 -7.615 1.399 -1.096 1.00 0.51 H new ATOM 0 HB2 GLN A 41 -5.709 2.472 -3.195 1.00 0.67 H new ATOM 0 HB3 GLN A 41 -5.207 1.534 -1.803 1.00 0.67 H new ATOM 0 HG2 GLN A 41 -6.425 -0.424 -2.613 1.00 0.69 H new ATOM 0 HG3 GLN A 41 -7.114 0.499 -3.934 1.00 0.69 H new ATOM 0 HE21 GLN A 41 -6.129 -0.323 -5.840 1.00 0.61 H new ATOM 0 HE22 GLN A 41 -4.382 -0.519 -6.022 1.00 0.61 H new ATOM 656 N ARG A 42 -7.038 3.125 0.453 1.00 0.47 N ATOM 657 CA ARG A 42 -6.365 3.863 1.475 1.00 0.55 C ATOM 658 C ARG A 42 -5.297 2.982 2.027 1.00 0.46 C ATOM 659 O ARG A 42 -5.532 1.837 2.408 1.00 0.52 O ATOM 660 CB ARG A 42 -7.302 4.285 2.620 1.00 0.73 C ATOM 661 CG ARG A 42 -6.612 4.979 3.795 1.00 1.04 C ATOM 662 CD ARG A 42 -5.791 6.207 3.396 1.00 1.28 C ATOM 663 NE ARG A 42 -6.652 7.095 2.565 1.00 1.69 N ATOM 664 CZ ARG A 42 -7.146 8.312 2.939 1.00 2.19 C ATOM 665 NH1 ARG A 42 -7.174 8.802 4.213 1.00 2.34 N ATOM 666 NH2 ARG A 42 -7.848 9.027 2.012 1.00 2.78 N ATOM 0 H ARG A 42 -7.722 2.450 0.795 1.00 0.47 H new ATOM 0 HA ARG A 42 -5.966 4.778 1.037 1.00 0.55 H new ATOM 0 HB2 ARG A 42 -8.064 4.953 2.219 1.00 0.73 H new ATOM 0 HB3 ARG A 42 -7.818 3.400 2.992 1.00 0.73 H new ATOM 0 HG2 ARG A 42 -7.368 5.280 4.521 1.00 1.04 H new ATOM 0 HG3 ARG A 42 -5.958 4.263 4.293 1.00 1.04 H new ATOM 0 HD2 ARG A 42 -5.444 6.737 4.283 1.00 1.28 H new ATOM 0 HD3 ARG A 42 -4.905 5.906 2.837 1.00 1.28 H new ATOM 0 HE ARG A 42 -6.895 6.764 1.631 1.00 1.69 H new ATOM 0 HH11 ARG A 42 -6.804 8.244 4.982 1.00 2.34 H new ATOM 0 HH12 ARG A 42 -7.565 9.726 4.395 1.00 2.34 H new ATOM 0 HH21 ARG A 42 -7.989 8.648 1.075 1.00 2.78 H new ATOM 0 HH22 ARG A 42 -8.232 9.940 2.256 1.00 2.78 H new ATOM 680 N LEU A 43 -4.044 3.467 1.984 1.00 0.46 N ATOM 681 CA LEU A 43 -2.973 2.686 2.522 1.00 0.42 C ATOM 682 C LEU A 43 -2.497 3.401 3.740 1.00 0.43 C ATOM 683 O LEU A 43 -2.189 4.590 3.801 1.00 0.55 O ATOM 684 CB LEU A 43 -1.797 2.661 1.530 1.00 0.55 C ATOM 685 CG LEU A 43 -1.881 1.417 0.629 1.00 0.65 C ATOM 686 CD1 LEU A 43 -0.878 1.453 -0.536 1.00 1.17 C ATOM 687 CD2 LEU A 43 -1.641 0.122 1.423 1.00 1.12 C ATOM 0 H LEU A 43 -3.776 4.369 1.591 1.00 0.46 H new ATOM 0 HA LEU A 43 -3.310 1.670 2.727 1.00 0.42 H new ATOM 0 HB2 LEU A 43 -1.810 3.563 0.918 1.00 0.55 H new ATOM 0 HB3 LEU A 43 -0.853 2.660 2.075 1.00 0.55 H new ATOM 0 HG LEU A 43 -2.893 1.429 0.225 1.00 0.65 H new ATOM 0 HD11 LEU A 43 -0.985 0.549 -1.136 1.00 1.17 H new ATOM 0 HD12 LEU A 43 -1.074 2.327 -1.158 1.00 1.17 H new ATOM 0 HD13 LEU A 43 0.136 1.509 -0.141 1.00 1.17 H new ATOM 0 HD21 LEU A 43 -1.709 -0.734 0.752 1.00 1.12 H new ATOM 0 HD22 LEU A 43 -0.650 0.151 1.876 1.00 1.12 H new ATOM 0 HD23 LEU A 43 -2.394 0.030 2.205 1.00 1.12 H new ATOM 699 N ILE A 44 -2.236 2.641 4.818 1.00 0.42 N ATOM 700 CA ILE A 44 -1.779 3.138 6.078 1.00 0.46 C ATOM 701 C ILE A 44 -0.535 2.364 6.347 1.00 0.42 C ATOM 702 O ILE A 44 -0.299 1.241 5.903 1.00 0.53 O ATOM 703 CB ILE A 44 -2.725 2.979 7.232 1.00 0.58 C ATOM 704 CG1 ILE A 44 -4.153 3.273 6.742 1.00 1.05 C ATOM 705 CG2 ILE A 44 -2.309 3.739 8.503 1.00 1.38 C ATOM 706 CD1 ILE A 44 -5.154 3.351 7.893 1.00 1.27 C ATOM 0 H ILE A 44 -2.350 1.627 4.810 1.00 0.42 H new ATOM 0 HA ILE A 44 -1.651 4.218 6.002 1.00 0.46 H new ATOM 0 HB ILE A 44 -2.689 1.945 7.574 1.00 0.58 H new ATOM 0 HG12 ILE A 44 -4.160 4.214 6.192 1.00 1.05 H new ATOM 0 HG13 ILE A 44 -4.463 2.495 6.045 1.00 1.05 H new ATOM 0 HG21 ILE A 44 -3.048 3.569 9.287 1.00 1.38 H new ATOM 0 HG22 ILE A 44 -1.335 3.382 8.838 1.00 1.38 H new ATOM 0 HG23 ILE A 44 -2.249 4.805 8.286 1.00 1.38 H new ATOM 0 HD11 ILE A 44 -6.148 3.560 7.497 1.00 1.27 H new ATOM 0 HD12 ILE A 44 -5.169 2.401 8.427 1.00 1.27 H new ATOM 0 HD13 ILE A 44 -4.861 4.147 8.577 1.00 1.27 H new ATOM 718 N PHE A 45 0.385 3.024 7.070 1.00 0.42 N ATOM 719 CA PHE A 45 1.557 2.460 7.666 1.00 0.46 C ATOM 720 C PHE A 45 2.003 3.059 8.955 1.00 0.68 C ATOM 721 O PHE A 45 2.154 4.271 9.095 1.00 1.50 O ATOM 722 CB PHE A 45 2.699 2.228 6.663 1.00 0.56 C ATOM 723 CG PHE A 45 3.965 1.578 7.106 1.00 0.64 C ATOM 724 CD1 PHE A 45 4.022 0.220 7.306 1.00 1.08 C ATOM 725 CD2 PHE A 45 5.118 2.292 7.334 1.00 1.19 C ATOM 726 CE1 PHE A 45 5.168 -0.438 7.685 1.00 1.20 C ATOM 727 CE2 PHE A 45 6.300 1.668 7.660 1.00 1.33 C ATOM 728 CZ PHE A 45 6.276 0.328 7.962 1.00 1.02 C ATOM 0 H PHE A 45 0.304 4.024 7.251 1.00 0.42 H new ATOM 0 HA PHE A 45 1.216 1.473 7.978 1.00 0.46 H new ATOM 0 HB2 PHE A 45 2.296 1.628 5.847 1.00 0.56 H new ATOM 0 HB3 PHE A 45 2.963 3.199 6.244 1.00 0.56 H new ATOM 0 HD1 PHE A 45 3.122 -0.359 7.158 1.00 1.08 H new ATOM 0 HD2 PHE A 45 5.095 3.369 7.255 1.00 1.19 H new ATOM 0 HE1 PHE A 45 5.197 -1.515 7.762 1.00 1.20 H new ATOM 0 HE2 PHE A 45 7.228 2.220 7.678 1.00 1.33 H new ATOM 0 HZ PHE A 45 7.139 -0.130 8.423 1.00 1.02 H new ATOM 738 N ALA A 46 2.379 2.266 9.975 1.00 0.81 N ATOM 739 CA ALA A 46 2.851 2.562 11.292 1.00 0.96 C ATOM 740 C ALA A 46 1.791 3.159 12.152 1.00 0.97 C ATOM 741 O ALA A 46 1.330 2.550 13.117 1.00 1.21 O ATOM 742 CB ALA A 46 4.190 3.318 11.301 1.00 1.20 C ATOM 0 H ALA A 46 2.343 1.255 9.846 1.00 0.81 H new ATOM 0 HA ALA A 46 3.089 1.608 11.762 1.00 0.96 H new ATOM 0 HB1 ALA A 46 4.492 3.511 12.330 1.00 1.20 H new ATOM 0 HB2 ALA A 46 4.952 2.715 10.807 1.00 1.20 H new ATOM 0 HB3 ALA A 46 4.077 4.264 10.772 1.00 1.20 H new ATOM 748 N GLY A 47 1.356 4.387 11.818 1.00 0.99 N ATOM 749 CA GLY A 47 0.283 5.132 12.403 1.00 1.10 C ATOM 750 C GLY A 47 0.006 6.302 11.523 1.00 1.03 C ATOM 751 O GLY A 47 -0.698 7.233 11.910 1.00 1.30 O ATOM 0 H GLY A 47 1.801 4.908 11.063 1.00 0.99 H new ATOM 0 HA2 GLY A 47 -0.606 4.509 12.500 1.00 1.10 H new ATOM 0 HA3 GLY A 47 0.551 5.464 13.406 1.00 1.10 H new ATOM 755 N LYS A 48 0.500 6.318 10.272 1.00 0.98 N ATOM 756 CA LYS A 48 0.333 7.436 9.396 1.00 1.05 C ATOM 757 C LYS A 48 -0.339 6.936 8.164 1.00 0.84 C ATOM 758 O LYS A 48 -0.083 5.836 7.678 1.00 0.81 O ATOM 759 CB LYS A 48 1.698 8.007 8.977 1.00 1.42 C ATOM 760 CG LYS A 48 2.575 8.340 10.185 1.00 1.61 C ATOM 761 CD LYS A 48 3.639 9.390 9.855 1.00 1.87 C ATOM 762 CE LYS A 48 4.836 9.301 10.805 1.00 2.22 C ATOM 763 NZ LYS A 48 5.590 8.059 10.524 1.00 2.55 N ATOM 0 H LYS A 48 1.023 5.544 9.863 1.00 0.98 H new ATOM 0 HA LYS A 48 -0.242 8.211 9.902 1.00 1.05 H new ATOM 0 HB2 LYS A 48 2.213 7.286 8.343 1.00 1.42 H new ATOM 0 HB3 LYS A 48 1.547 8.906 8.380 1.00 1.42 H new ATOM 0 HG2 LYS A 48 1.947 8.704 10.998 1.00 1.61 H new ATOM 0 HG3 LYS A 48 3.061 7.432 10.540 1.00 1.61 H new ATOM 0 HD2 LYS A 48 3.978 9.254 8.828 1.00 1.87 H new ATOM 0 HD3 LYS A 48 3.199 10.385 9.916 1.00 1.87 H new ATOM 0 HE2 LYS A 48 5.482 10.169 10.677 1.00 2.22 H new ATOM 0 HE3 LYS A 48 4.495 9.307 11.840 1.00 2.22 H new ATOM 0 HZ1 LYS A 48 6.578 8.177 10.826 1.00 2.55 H new ATOM 0 HZ2 LYS A 48 5.161 7.267 11.044 1.00 2.55 H new ATOM 0 HZ3 LYS A 48 5.561 7.859 9.504 1.00 2.55 H new ATOM 777 N GLN A 49 -1.362 7.687 7.719 1.00 0.84 N ATOM 778 CA GLN A 49 -1.872 7.379 6.418 1.00 0.80 C ATOM 779 C GLN A 49 -0.999 7.785 5.281 1.00 0.72 C ATOM 780 O GLN A 49 -0.421 8.870 5.325 1.00 0.83 O ATOM 781 CB GLN A 49 -3.303 7.929 6.302 1.00 1.03 C ATOM 782 CG GLN A 49 -4.355 7.153 7.098 1.00 1.67 C ATOM 783 CD GLN A 49 -5.698 7.861 7.202 1.00 1.92 C ATOM 784 OE1 GLN A 49 -6.670 7.468 6.558 1.00 2.24 O ATOM 785 NE2 GLN A 49 -5.810 8.759 8.217 1.00 2.48 N ATOM 0 H GLN A 49 -1.811 8.455 8.217 1.00 0.84 H new ATOM 0 HA GLN A 49 -1.887 6.293 6.327 1.00 0.80 H new ATOM 0 HB2 GLN A 49 -3.307 8.966 6.637 1.00 1.03 H new ATOM 0 HB3 GLN A 49 -3.592 7.932 5.251 1.00 1.03 H new ATOM 0 HG2 GLN A 49 -4.504 6.179 6.631 1.00 1.67 H new ATOM 0 HG3 GLN A 49 -3.974 6.970 8.102 1.00 1.67 H new ATOM 0 HE21 GLN A 49 -4.979 9.059 8.726 1.00 2.48 H new ATOM 0 HE22 GLN A 49 -6.725 9.132 8.469 1.00 2.48 H new ATOM 794 N LEU A 50 -0.811 7.045 4.175 1.00 0.69 N ATOM 795 CA LEU A 50 0.265 7.308 3.271 1.00 0.66 C ATOM 796 C LEU A 50 -0.245 8.181 2.177 1.00 0.72 C ATOM 797 O LEU A 50 -1.314 8.009 1.594 1.00 0.90 O ATOM 798 CB LEU A 50 0.953 6.026 2.771 1.00 0.65 C ATOM 799 CG LEU A 50 1.547 5.167 3.900 1.00 0.64 C ATOM 800 CD1 LEU A 50 2.506 4.113 3.324 1.00 0.77 C ATOM 801 CD2 LEU A 50 2.451 5.953 4.864 1.00 0.74 C ATOM 0 H LEU A 50 -1.406 6.262 3.906 1.00 0.69 H new ATOM 0 HA LEU A 50 1.060 7.837 3.795 1.00 0.66 H new ATOM 0 HB2 LEU A 50 0.231 5.430 2.213 1.00 0.65 H new ATOM 0 HB3 LEU A 50 1.747 6.297 2.076 1.00 0.65 H new ATOM 0 HG LEU A 50 0.673 4.761 4.410 1.00 0.64 H new ATOM 0 HD11 LEU A 50 2.918 3.513 4.136 1.00 0.77 H new ATOM 0 HD12 LEU A 50 1.964 3.466 2.634 1.00 0.77 H new ATOM 0 HD13 LEU A 50 3.317 4.611 2.793 1.00 0.77 H new ATOM 0 HD21 LEU A 50 2.833 5.282 5.633 1.00 0.74 H new ATOM 0 HD22 LEU A 50 3.286 6.384 4.311 1.00 0.74 H new ATOM 0 HD23 LEU A 50 1.876 6.752 5.333 1.00 0.74 H new ATOM 813 N GLU A 51 0.456 9.262 1.792 1.00 0.70 N ATOM 814 CA GLU A 51 0.058 10.224 0.810 1.00 0.76 C ATOM 815 C GLU A 51 0.680 9.883 -0.499 1.00 0.77 C ATOM 816 O GLU A 51 1.904 9.793 -0.584 1.00 1.23 O ATOM 817 CB GLU A 51 0.537 11.641 1.168 1.00 0.88 C ATOM 818 CG GLU A 51 0.024 12.273 2.464 1.00 1.35 C ATOM 819 CD GLU A 51 0.493 13.715 2.594 1.00 1.46 C ATOM 820 OE1 GLU A 51 1.647 13.941 3.046 1.00 1.89 O ATOM 821 OE2 GLU A 51 -0.344 14.622 2.337 1.00 1.94 O ATOM 0 H GLU A 51 1.367 9.479 2.197 1.00 0.70 H new ATOM 0 HA GLU A 51 -1.031 10.202 0.767 1.00 0.76 H new ATOM 0 HB2 GLU A 51 1.626 11.622 1.215 1.00 0.88 H new ATOM 0 HB3 GLU A 51 0.265 12.302 0.345 1.00 0.88 H new ATOM 0 HG2 GLU A 51 -1.065 12.239 2.483 1.00 1.35 H new ATOM 0 HG3 GLU A 51 0.376 11.695 3.318 1.00 1.35 H new ATOM 828 N ASP A 52 -0.195 9.619 -1.487 1.00 0.66 N ATOM 829 CA ASP A 52 0.180 9.187 -2.798 1.00 0.65 C ATOM 830 C ASP A 52 1.380 9.815 -3.420 1.00 0.60 C ATOM 831 O ASP A 52 2.315 9.134 -3.838 1.00 0.62 O ATOM 832 CB ASP A 52 -1.055 9.474 -3.668 1.00 0.81 C ATOM 833 CG ASP A 52 -2.305 8.775 -3.154 1.00 0.95 C ATOM 834 OD1 ASP A 52 -2.818 9.119 -2.056 1.00 1.56 O ATOM 835 OD2 ASP A 52 -2.559 7.712 -3.783 1.00 1.44 O ATOM 0 H ASP A 52 -1.204 9.710 -1.367 1.00 0.66 H new ATOM 0 HA ASP A 52 0.479 8.142 -2.722 1.00 0.65 H new ATOM 0 HB2 ASP A 52 -1.231 10.549 -3.700 1.00 0.81 H new ATOM 0 HB3 ASP A 52 -0.858 9.153 -4.691 1.00 0.81 H new ATOM 840 N GLY A 53 1.427 11.159 -3.438 1.00 0.68 N ATOM 841 CA GLY A 53 2.528 11.997 -3.796 1.00 0.73 C ATOM 842 C GLY A 53 3.677 11.939 -2.849 1.00 0.72 C ATOM 843 O GLY A 53 4.344 12.966 -2.730 1.00 0.97 O ATOM 0 H GLY A 53 0.611 11.711 -3.175 1.00 0.68 H new ATOM 0 HA2 GLY A 53 2.877 11.714 -4.789 1.00 0.73 H new ATOM 0 HA3 GLY A 53 2.179 13.027 -3.862 1.00 0.73 H new ATOM 847 N ARG A 54 4.040 10.760 -2.312 1.00 0.64 N ATOM 848 CA ARG A 54 5.294 10.551 -1.657 1.00 0.63 C ATOM 849 C ARG A 54 5.907 9.250 -2.047 1.00 0.59 C ATOM 850 O ARG A 54 5.202 8.363 -2.528 1.00 0.62 O ATOM 851 CB ARG A 54 5.175 10.474 -0.125 1.00 0.69 C ATOM 852 CG ARG A 54 4.337 11.523 0.609 1.00 0.82 C ATOM 853 CD ARG A 54 4.859 12.961 0.585 1.00 1.18 C ATOM 854 NE ARG A 54 3.746 13.841 1.044 1.00 1.50 N ATOM 855 CZ ARG A 54 3.894 15.197 1.068 1.00 2.00 C ATOM 856 NH1 ARG A 54 4.947 15.661 0.334 1.00 2.49 N ATOM 857 NH2 ARG A 54 3.057 15.893 1.891 1.00 2.48 N ATOM 0 H ARG A 54 3.446 9.931 -2.334 1.00 0.64 H new ATOM 0 HA ARG A 54 5.893 11.409 -1.962 1.00 0.63 H new ATOM 0 HB2 ARG A 54 4.767 9.494 0.124 1.00 0.69 H new ATOM 0 HB3 ARG A 54 6.184 10.513 0.286 1.00 0.69 H new ATOM 0 HG2 ARG A 54 3.335 11.518 0.181 1.00 0.82 H new ATOM 0 HG3 ARG A 54 4.240 11.214 1.650 1.00 0.82 H new ATOM 0 HD2 ARG A 54 5.727 13.066 1.236 1.00 1.18 H new ATOM 0 HD3 ARG A 54 5.179 13.238 -0.420 1.00 1.18 H new ATOM 0 HE ARG A 54 2.864 13.424 1.343 1.00 1.50 H new ATOM 0 HH11 ARG A 54 5.544 15.007 -0.172 1.00 2.49 H new ATOM 0 HH12 ARG A 54 5.137 16.662 0.292 1.00 2.49 H new ATOM 0 HH21 ARG A 54 2.363 15.397 2.450 1.00 2.48 H new ATOM 0 HH22 ARG A 54 3.125 16.909 1.947 1.00 2.48 H new ATOM 871 N THR A 55 7.178 8.983 -1.697 1.00 0.63 N ATOM 872 CA THR A 55 7.880 7.757 -1.917 1.00 0.61 C ATOM 873 C THR A 55 7.942 6.826 -0.755 1.00 0.59 C ATOM 874 O THR A 55 7.716 7.212 0.391 1.00 0.64 O ATOM 875 CB THR A 55 9.281 7.944 -2.419 1.00 0.68 C ATOM 876 OG1 THR A 55 10.175 8.553 -1.500 1.00 0.75 O ATOM 877 CG2 THR A 55 9.354 8.871 -3.644 1.00 0.76 C ATOM 0 H THR A 55 7.757 9.677 -1.225 1.00 0.63 H new ATOM 0 HA THR A 55 7.258 7.298 -2.686 1.00 0.61 H new ATOM 0 HB THR A 55 9.572 6.915 -2.630 1.00 0.68 H new ATOM 0 HG1 THR A 55 9.895 9.477 -1.335 1.00 0.75 H new ATOM 0 HG21 THR A 55 10.391 8.970 -3.964 1.00 0.76 H new ATOM 0 HG22 THR A 55 8.762 8.448 -4.456 1.00 0.76 H new ATOM 0 HG23 THR A 55 8.960 9.853 -3.381 1.00 0.76 H new ATOM 885 N LEU A 56 8.334 5.556 -0.958 1.00 0.58 N ATOM 886 CA LEU A 56 8.602 4.574 0.047 1.00 0.59 C ATOM 887 C LEU A 56 9.735 4.967 0.931 1.00 0.64 C ATOM 888 O LEU A 56 9.680 4.864 2.156 1.00 0.70 O ATOM 889 CB LEU A 56 8.780 3.200 -0.621 1.00 0.60 C ATOM 890 CG LEU A 56 7.503 2.822 -1.390 1.00 0.63 C ATOM 891 CD1 LEU A 56 7.822 1.963 -2.626 1.00 1.05 C ATOM 892 CD2 LEU A 56 6.496 2.135 -0.452 1.00 1.03 C ATOM 0 H LEU A 56 8.474 5.188 -1.899 1.00 0.58 H new ATOM 0 HA LEU A 56 7.748 4.503 0.721 1.00 0.59 H new ATOM 0 HB2 LEU A 56 9.631 3.224 -1.302 1.00 0.60 H new ATOM 0 HB3 LEU A 56 8.997 2.444 0.134 1.00 0.60 H new ATOM 0 HG LEU A 56 7.041 3.737 -1.760 1.00 0.63 H new ATOM 0 HD11 LEU A 56 6.896 1.715 -3.145 1.00 1.05 H new ATOM 0 HD12 LEU A 56 8.476 2.520 -3.297 1.00 1.05 H new ATOM 0 HD13 LEU A 56 8.320 1.045 -2.313 1.00 1.05 H new ATOM 0 HD21 LEU A 56 5.598 1.874 -1.011 1.00 1.03 H new ATOM 0 HD22 LEU A 56 6.942 1.230 -0.039 1.00 1.03 H new ATOM 0 HD23 LEU A 56 6.234 2.813 0.360 1.00 1.03 H new ATOM 904 N SER A 57 10.751 5.620 0.339 1.00 0.68 N ATOM 905 CA SER A 57 11.899 6.179 0.984 1.00 0.75 C ATOM 906 C SER A 57 11.637 7.238 1.998 1.00 0.76 C ATOM 907 O SER A 57 12.216 7.187 3.081 1.00 0.84 O ATOM 908 CB SER A 57 12.902 6.566 -0.116 1.00 0.84 C ATOM 909 OG SER A 57 14.110 7.157 0.341 1.00 1.19 O ATOM 0 H SER A 57 10.770 5.768 -0.670 1.00 0.68 H new ATOM 0 HA SER A 57 12.334 5.417 1.631 1.00 0.75 H new ATOM 0 HB2 SER A 57 13.149 5.673 -0.690 1.00 0.84 H new ATOM 0 HB3 SER A 57 12.414 7.260 -0.801 1.00 0.84 H new ATOM 0 HG SER A 57 14.682 7.366 -0.426 1.00 1.19 H new ATOM 915 N ASP A 58 10.757 8.218 1.722 1.00 0.75 N ATOM 916 CA ASP A 58 10.431 9.280 2.621 1.00 0.78 C ATOM 917 C ASP A 58 9.847 8.769 3.892 1.00 0.77 C ATOM 918 O ASP A 58 10.232 9.223 4.968 1.00 0.86 O ATOM 919 CB ASP A 58 9.398 10.255 2.030 1.00 0.83 C ATOM 920 CG ASP A 58 9.942 10.887 0.757 1.00 1.23 C ATOM 921 OD1 ASP A 58 10.877 11.723 0.875 1.00 1.90 O ATOM 922 OD2 ASP A 58 9.326 10.633 -0.313 1.00 1.86 O ATOM 0 H ASP A 58 10.253 8.272 0.837 1.00 0.75 H new ATOM 0 HA ASP A 58 11.376 9.792 2.802 1.00 0.78 H new ATOM 0 HB2 ASP A 58 8.470 9.726 1.814 1.00 0.83 H new ATOM 0 HB3 ASP A 58 9.161 11.031 2.758 1.00 0.83 H new ATOM 927 N TYR A 59 8.896 7.825 3.775 1.00 0.72 N ATOM 928 CA TYR A 59 8.245 7.218 4.895 1.00 0.73 C ATOM 929 C TYR A 59 9.072 6.181 5.573 1.00 0.76 C ATOM 930 O TYR A 59 8.650 5.630 6.589 1.00 0.89 O ATOM 931 CB TYR A 59 6.950 6.577 4.366 1.00 0.73 C ATOM 932 CG TYR A 59 5.864 7.506 3.946 1.00 0.67 C ATOM 933 CD1 TYR A 59 5.412 8.255 5.008 1.00 0.74 C ATOM 934 CD2 TYR A 59 5.193 7.518 2.746 1.00 0.67 C ATOM 935 CE1 TYR A 59 4.320 9.082 4.897 1.00 0.77 C ATOM 936 CE2 TYR A 59 4.162 8.420 2.631 1.00 0.70 C ATOM 937 CZ TYR A 59 3.770 9.257 3.648 1.00 0.74 C ATOM 938 OH TYR A 59 2.641 10.033 3.310 1.00 0.86 O ATOM 0 H TYR A 59 8.570 7.473 2.875 1.00 0.72 H new ATOM 0 HA TYR A 59 8.057 7.987 5.645 1.00 0.73 H new ATOM 0 HB2 TYR A 59 7.206 5.947 3.514 1.00 0.73 H new ATOM 0 HB3 TYR A 59 6.555 5.920 5.141 1.00 0.73 H new ATOM 0 HD1 TYR A 59 5.929 8.191 5.954 1.00 0.74 H new ATOM 0 HD2 TYR A 59 5.461 6.854 1.937 1.00 0.67 H new ATOM 0 HE1 TYR A 59 3.907 9.579 5.762 1.00 0.77 H new ATOM 0 HE2 TYR A 59 3.632 8.474 1.692 1.00 0.70 H new ATOM 0 HH TYR A 59 2.857 10.984 3.407 1.00 0.86 H new ATOM 948 N ASN A 60 10.225 5.772 5.016 1.00 0.74 N ATOM 949 CA ASN A 60 11.079 4.721 5.476 1.00 0.79 C ATOM 950 C ASN A 60 10.498 3.349 5.501 1.00 0.75 C ATOM 951 O ASN A 60 10.721 2.573 6.430 1.00 0.86 O ATOM 952 CB ASN A 60 11.839 5.101 6.757 1.00 0.95 C ATOM 953 CG ASN A 60 12.741 6.312 6.555 1.00 1.25 C ATOM 954 OD1 ASN A 60 13.715 6.306 5.804 1.00 1.84 O ATOM 955 ND2 ASN A 60 12.324 7.480 7.111 1.00 1.83 N ATOM 0 H ASN A 60 10.590 6.215 4.173 1.00 0.74 H new ATOM 0 HA ASN A 60 11.820 4.629 4.682 1.00 0.79 H new ATOM 0 HB2 ASN A 60 11.124 5.312 7.552 1.00 0.95 H new ATOM 0 HB3 ASN A 60 12.440 4.253 7.085 1.00 0.95 H new ATOM 0 HD21 ASN A 60 12.818 8.348 6.905 1.00 1.83 H new ATOM 0 HD22 ASN A 60 11.517 7.489 7.734 1.00 1.83 H new ATOM 962 N ILE A 61 9.906 2.902 4.379 1.00 0.67 N ATOM 963 CA ILE A 61 9.328 1.608 4.193 1.00 0.65 C ATOM 964 C ILE A 61 10.475 0.853 3.614 1.00 0.66 C ATOM 965 O ILE A 61 10.967 1.102 2.515 1.00 0.75 O ATOM 966 CB ILE A 61 8.188 1.773 3.231 1.00 0.63 C ATOM 967 CG1 ILE A 61 7.020 2.463 3.954 1.00 0.70 C ATOM 968 CG2 ILE A 61 7.710 0.403 2.721 1.00 0.72 C ATOM 969 CD1 ILE A 61 6.064 3.091 2.941 1.00 0.82 C ATOM 0 H ILE A 61 9.827 3.485 3.546 1.00 0.67 H new ATOM 0 HA ILE A 61 8.922 1.110 5.074 1.00 0.65 H new ATOM 0 HB ILE A 61 8.525 2.372 2.385 1.00 0.63 H new ATOM 0 HG12 ILE A 61 6.485 1.739 4.568 1.00 0.70 H new ATOM 0 HG13 ILE A 61 7.403 3.230 4.627 1.00 0.70 H new ATOM 0 HG21 ILE A 61 6.883 0.542 2.025 1.00 0.72 H new ATOM 0 HG22 ILE A 61 8.531 -0.103 2.213 1.00 0.72 H new ATOM 0 HG23 ILE A 61 7.377 -0.203 3.564 1.00 0.72 H new ATOM 0 HD11 ILE A 61 5.242 3.576 3.468 1.00 0.82 H new ATOM 0 HD12 ILE A 61 6.599 3.830 2.345 1.00 0.82 H new ATOM 0 HD13 ILE A 61 5.667 2.315 2.286 1.00 0.82 H new ATOM 981 N GLN A 62 10.861 -0.240 4.296 1.00 0.67 N ATOM 982 CA GLN A 62 11.931 -1.078 3.853 1.00 0.70 C ATOM 983 C GLN A 62 11.460 -2.411 3.384 1.00 0.62 C ATOM 984 O GLN A 62 10.277 -2.652 3.152 1.00 0.64 O ATOM 985 CB GLN A 62 12.935 -1.266 5.004 1.00 0.85 C ATOM 986 CG GLN A 62 13.375 -0.075 5.857 1.00 1.27 C ATOM 987 CD GLN A 62 13.997 1.013 4.994 1.00 1.57 C ATOM 988 OE1 GLN A 62 13.277 2.167 4.968 1.00 2.08 O flip ATOM 989 NE2 GLN A 62 14.997 0.927 4.284 1.00 2.16 N flip ATOM 0 H GLN A 62 10.425 -0.546 5.166 1.00 0.67 H new ATOM 0 HA GLN A 62 12.403 -0.585 3.003 1.00 0.70 H new ATOM 0 HB2 GLN A 62 12.511 -2.007 5.682 1.00 0.85 H new ATOM 0 HB3 GLN A 62 13.836 -1.704 4.575 1.00 0.85 H new ATOM 0 HG2 GLN A 62 12.517 0.328 6.395 1.00 1.27 H new ATOM 0 HG3 GLN A 62 14.094 -0.406 6.606 1.00 1.27 H new ATOM 0 HE21 GLN A 62 15.553 0.072 4.287 1.00 2.16 H new ATOM 0 HE22 GLN A 62 15.271 1.711 3.692 1.00 2.16 H new ATOM 998 N LYS A 63 12.352 -3.392 3.156 1.00 0.64 N ATOM 999 CA LYS A 63 11.983 -4.697 2.704 1.00 0.62 C ATOM 1000 C LYS A 63 11.251 -5.373 3.811 1.00 0.59 C ATOM 1001 O LYS A 63 11.431 -5.077 4.990 1.00 0.66 O ATOM 1002 CB LYS A 63 13.208 -5.541 2.313 1.00 0.74 C ATOM 1003 CG LYS A 63 14.147 -6.022 3.421 1.00 0.89 C ATOM 1004 CD LYS A 63 15.420 -6.632 2.831 1.00 1.11 C ATOM 1005 CE LYS A 63 16.163 -7.286 3.996 1.00 1.47 C ATOM 1006 NZ LYS A 63 15.679 -8.640 4.348 1.00 2.12 N ATOM 0 H LYS A 63 13.356 -3.274 3.290 1.00 0.64 H new ATOM 0 HA LYS A 63 11.361 -4.598 1.814 1.00 0.62 H new ATOM 0 HB2 LYS A 63 12.848 -6.420 1.779 1.00 0.74 H new ATOM 0 HB3 LYS A 63 13.800 -4.959 1.606 1.00 0.74 H new ATOM 0 HG2 LYS A 63 14.407 -5.187 4.071 1.00 0.89 H new ATOM 0 HG3 LYS A 63 13.638 -6.761 4.040 1.00 0.89 H new ATOM 0 HD2 LYS A 63 15.179 -7.366 2.062 1.00 1.11 H new ATOM 0 HD3 LYS A 63 16.035 -5.866 2.359 1.00 1.11 H new ATOM 0 HE2 LYS A 63 17.223 -7.346 3.747 1.00 1.47 H new ATOM 0 HE3 LYS A 63 16.077 -6.644 4.872 1.00 1.47 H new ATOM 0 HZ1 LYS A 63 16.336 -9.078 5.025 1.00 2.12 H new ATOM 0 HZ2 LYS A 63 14.734 -8.570 4.777 1.00 2.12 H new ATOM 0 HZ3 LYS A 63 15.627 -9.224 3.489 1.00 2.12 H new ATOM 1020 N GLU A 64 10.431 -6.345 3.372 1.00 0.57 N ATOM 1021 CA GLU A 64 9.620 -7.194 4.188 1.00 0.58 C ATOM 1022 C GLU A 64 8.554 -6.489 4.954 1.00 0.56 C ATOM 1023 O GLU A 64 7.983 -7.117 5.844 1.00 0.70 O ATOM 1024 CB GLU A 64 10.577 -8.101 4.981 1.00 0.72 C ATOM 1025 CG GLU A 64 11.362 -9.034 4.056 1.00 0.96 C ATOM 1026 CD GLU A 64 12.406 -9.860 4.794 1.00 1.18 C ATOM 1027 OE1 GLU A 64 13.318 -9.196 5.355 1.00 1.69 O ATOM 1028 OE2 GLU A 64 12.412 -11.114 4.665 1.00 1.71 O ATOM 0 H GLU A 64 10.329 -6.551 2.378 1.00 0.57 H new ATOM 0 HA GLU A 64 8.986 -7.833 3.574 1.00 0.58 H new ATOM 0 HB2 GLU A 64 11.271 -7.486 5.554 1.00 0.72 H new ATOM 0 HB3 GLU A 64 10.008 -8.692 5.699 1.00 0.72 H new ATOM 0 HG2 GLU A 64 10.667 -9.704 3.550 1.00 0.96 H new ATOM 0 HG3 GLU A 64 11.854 -8.442 3.284 1.00 0.96 H new ATOM 1035 N SER A 65 8.189 -5.277 4.498 1.00 0.51 N ATOM 1036 CA SER A 65 7.268 -4.468 5.232 1.00 0.51 C ATOM 1037 C SER A 65 5.833 -4.774 4.972 1.00 0.43 C ATOM 1038 O SER A 65 5.572 -5.056 3.804 1.00 0.50 O ATOM 1039 CB SER A 65 7.280 -2.942 5.043 1.00 0.65 C ATOM 1040 OG SER A 65 8.538 -2.360 5.356 1.00 1.04 O ATOM 0 H SER A 65 8.528 -4.861 3.630 1.00 0.51 H new ATOM 0 HA SER A 65 7.646 -4.737 6.219 1.00 0.51 H new ATOM 0 HB2 SER A 65 7.022 -2.706 4.011 1.00 0.65 H new ATOM 0 HB3 SER A 65 6.511 -2.496 5.674 1.00 0.65 H new ATOM 0 HG SER A 65 9.139 -2.447 4.587 1.00 1.04 H new ATOM 1046 N THR A 66 4.940 -4.608 5.965 1.00 0.45 N ATOM 1047 CA THR A 66 3.573 -4.849 5.624 1.00 0.45 C ATOM 1048 C THR A 66 2.819 -3.565 5.605 1.00 0.43 C ATOM 1049 O THR A 66 2.704 -2.911 6.641 1.00 0.58 O ATOM 1050 CB THR A 66 2.812 -5.731 6.569 1.00 0.61 C ATOM 1051 OG1 THR A 66 3.499 -6.956 6.781 1.00 0.79 O ATOM 1052 CG2 THR A 66 1.442 -6.129 5.996 1.00 0.78 C ATOM 0 H THR A 66 5.138 -4.330 6.926 1.00 0.45 H new ATOM 0 HA THR A 66 3.638 -5.349 4.658 1.00 0.45 H new ATOM 0 HB THR A 66 2.704 -5.156 7.489 1.00 0.61 H new ATOM 0 HG1 THR A 66 2.987 -7.515 7.401 1.00 0.79 H new ATOM 0 HG21 THR A 66 0.921 -6.768 6.709 1.00 0.78 H new ATOM 0 HG22 THR A 66 0.850 -5.232 5.812 1.00 0.78 H new ATOM 0 HG23 THR A 66 1.582 -6.670 5.060 1.00 0.78 H new ATOM 1060 N LEU A 67 2.325 -3.091 4.447 1.00 0.38 N ATOM 1061 CA LEU A 67 1.519 -1.912 4.386 1.00 0.38 C ATOM 1062 C LEU A 67 0.114 -2.317 4.672 1.00 0.37 C ATOM 1063 O LEU A 67 -0.227 -3.487 4.514 1.00 0.50 O ATOM 1064 CB LEU A 67 1.625 -1.058 3.110 1.00 0.46 C ATOM 1065 CG LEU A 67 3.000 -0.591 2.604 1.00 0.65 C ATOM 1066 CD1 LEU A 67 2.968 0.179 1.273 1.00 1.40 C ATOM 1067 CD2 LEU A 67 3.829 0.134 3.678 1.00 1.31 C ATOM 0 H LEU A 67 2.487 -3.532 3.542 1.00 0.38 H new ATOM 0 HA LEU A 67 1.911 -1.227 5.138 1.00 0.38 H new ATOM 0 HB2 LEU A 67 1.159 -1.623 2.303 1.00 0.46 H new ATOM 0 HB3 LEU A 67 1.018 -0.166 3.267 1.00 0.46 H new ATOM 0 HG LEU A 67 3.523 -1.520 2.379 1.00 0.65 H new ATOM 0 HD11 LEU A 67 3.982 0.468 0.995 1.00 1.40 H new ATOM 0 HD12 LEU A 67 2.546 -0.457 0.495 1.00 1.40 H new ATOM 0 HD13 LEU A 67 2.354 1.073 1.384 1.00 1.40 H new ATOM 0 HD21 LEU A 67 4.787 0.437 3.255 1.00 1.31 H new ATOM 0 HD22 LEU A 67 3.288 1.016 4.021 1.00 1.31 H new ATOM 0 HD23 LEU A 67 4.000 -0.537 4.520 1.00 1.31 H new ATOM 1079 N HIS A 68 -0.742 -1.402 5.163 1.00 0.35 N ATOM 1080 CA HIS A 68 -2.061 -1.795 5.551 1.00 0.37 C ATOM 1081 C HIS A 68 -3.091 -1.315 4.587 1.00 0.35 C ATOM 1082 O HIS A 68 -3.220 -0.102 4.436 1.00 0.48 O ATOM 1083 CB HIS A 68 -2.274 -1.347 7.008 1.00 0.49 C ATOM 1084 CG HIS A 68 -1.699 -2.241 8.066 1.00 0.75 C ATOM 1085 ND1 HIS A 68 -1.465 -1.853 9.370 1.00 1.35 N ATOM 1086 CD2 HIS A 68 -1.166 -3.480 7.898 1.00 1.48 C ATOM 1087 CE1 HIS A 68 -0.845 -2.903 9.972 1.00 1.41 C ATOM 1088 NE2 HIS A 68 -0.628 -3.876 9.106 1.00 1.51 N ATOM 0 H HIS A 68 -0.528 -0.413 5.289 1.00 0.35 H new ATOM 0 HA HIS A 68 -2.174 -2.879 5.516 1.00 0.37 H new ATOM 0 HB2 HIS A 68 -1.842 -0.353 7.127 1.00 0.49 H new ATOM 0 HB3 HIS A 68 -3.345 -1.253 7.184 1.00 0.49 H new ATOM 0 HD2 HIS A 68 -1.164 -4.053 6.982 1.00 1.48 H new ATOM 0 HE1 HIS A 68 -0.568 -2.937 11.015 1.00 1.41 H new ATOM 0 HE2 HIS A 68 -0.151 -4.758 9.295 1.00 1.51 H new ATOM 1096 N LEU A 69 -3.717 -2.217 3.810 1.00 0.36 N ATOM 1097 CA LEU A 69 -4.801 -1.910 2.930 1.00 0.38 C ATOM 1098 C LEU A 69 -6.113 -1.818 3.630 1.00 0.41 C ATOM 1099 O LEU A 69 -6.658 -2.829 4.070 1.00 0.56 O ATOM 1100 CB LEU A 69 -4.807 -2.876 1.733 1.00 0.48 C ATOM 1101 CG LEU A 69 -5.528 -2.511 0.424 1.00 0.56 C ATOM 1102 CD1 LEU A 69 -4.751 -3.071 -0.780 1.00 1.01 C ATOM 1103 CD2 LEU A 69 -7.006 -2.937 0.429 1.00 1.14 C ATOM 0 H LEU A 69 -3.456 -3.203 3.795 1.00 0.36 H new ATOM 0 HA LEU A 69 -4.639 -0.907 2.535 1.00 0.38 H new ATOM 0 HB2 LEU A 69 -3.766 -3.076 1.479 1.00 0.48 H new ATOM 0 HB3 LEU A 69 -5.236 -3.815 2.083 1.00 0.48 H new ATOM 0 HG LEU A 69 -5.544 -1.425 0.335 1.00 0.56 H new ATOM 0 HD11 LEU A 69 -5.269 -2.807 -1.702 1.00 1.01 H new ATOM 0 HD12 LEU A 69 -3.747 -2.647 -0.794 1.00 1.01 H new ATOM 0 HD13 LEU A 69 -4.686 -4.156 -0.698 1.00 1.01 H new ATOM 0 HD21 LEU A 69 -7.469 -2.656 -0.517 1.00 1.14 H new ATOM 0 HD22 LEU A 69 -7.073 -4.017 0.559 1.00 1.14 H new ATOM 0 HD23 LEU A 69 -7.525 -2.440 1.248 1.00 1.14 H new ATOM 1115 N VAL A 70 -6.672 -0.595 3.676 1.00 0.45 N ATOM 1116 CA VAL A 70 -7.984 -0.260 4.132 1.00 0.56 C ATOM 1117 C VAL A 70 -8.740 0.129 2.909 1.00 0.55 C ATOM 1118 O VAL A 70 -8.231 0.834 2.038 1.00 0.58 O ATOM 1119 CB VAL A 70 -7.928 0.882 5.103 1.00 0.77 C ATOM 1120 CG1 VAL A 70 -9.404 1.249 5.328 1.00 1.23 C ATOM 1121 CG2 VAL A 70 -7.229 0.407 6.388 1.00 0.97 C ATOM 0 H VAL A 70 -6.158 0.230 3.366 1.00 0.45 H new ATOM 0 HA VAL A 70 -8.457 -1.092 4.653 1.00 0.56 H new ATOM 0 HB VAL A 70 -7.363 1.747 4.755 1.00 0.77 H new ATOM 0 HG11 VAL A 70 -9.469 2.081 6.029 1.00 1.23 H new ATOM 0 HG12 VAL A 70 -9.856 1.538 4.379 1.00 1.23 H new ATOM 0 HG13 VAL A 70 -9.935 0.389 5.735 1.00 1.23 H new ATOM 0 HG21 VAL A 70 -7.182 1.229 7.102 1.00 0.97 H new ATOM 0 HG22 VAL A 70 -7.790 -0.420 6.823 1.00 0.97 H new ATOM 0 HG23 VAL A 70 -6.218 0.075 6.151 1.00 0.97 H new ATOM 1131 N LEU A 71 -9.857 -0.569 2.637 1.00 0.73 N ATOM 1132 CA LEU A 71 -10.714 -0.268 1.531 1.00 0.84 C ATOM 1133 C LEU A 71 -11.567 0.850 2.025 1.00 0.85 C ATOM 1134 O LEU A 71 -12.285 0.650 3.002 1.00 1.03 O ATOM 1135 CB LEU A 71 -11.611 -1.422 1.053 1.00 1.26 C ATOM 1136 CG LEU A 71 -10.841 -2.487 0.256 1.00 1.86 C ATOM 1137 CD1 LEU A 71 -11.545 -3.829 -0.008 1.00 1.95 C ATOM 1138 CD2 LEU A 71 -10.328 -1.913 -1.075 1.00 2.78 C ATOM 0 H LEU A 71 -10.172 -1.360 3.198 1.00 0.73 H new ATOM 0 HA LEU A 71 -10.102 -0.037 0.659 1.00 0.84 H new ATOM 0 HB2 LEU A 71 -12.082 -1.892 1.917 1.00 1.26 H new ATOM 0 HB3 LEU A 71 -12.412 -1.020 0.433 1.00 1.26 H new ATOM 0 HG LEU A 71 -10.025 -2.740 0.933 1.00 1.86 H new ATOM 0 HD11 LEU A 71 -10.884 -4.480 -0.580 1.00 1.95 H new ATOM 0 HD12 LEU A 71 -11.790 -4.304 0.942 1.00 1.95 H new ATOM 0 HD13 LEU A 71 -12.460 -3.655 -0.574 1.00 1.95 H new ATOM 0 HD21 LEU A 71 -9.787 -2.686 -1.620 1.00 2.78 H new ATOM 0 HD22 LEU A 71 -11.172 -1.571 -1.673 1.00 2.78 H new ATOM 0 HD23 LEU A 71 -9.661 -1.074 -0.876 1.00 2.78 H new