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 37 ASN : amide:sc= -0.109 K(o=-2.5,f=-3.9!) USER MOD Set 1.2: A 42 GLN : amide:sc= -2.4 K(o=-2.5,f=-3.9) USER MOD Set 2.1: A 33 SER OG : rot 29:sc= 1.49 USER MOD Set 2.2: A 35 GLN : amide:sc= -1.07! X(o=0.41!,f=0.41) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -139:sc= 1.64 (180deg=0.0255) USER MOD Single : A 3 GLN : amide:sc= 1.34 K(o=1.3,f=-5.3!) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 ASN : amide:sc= -0.359 X(o=-0.36,f=-0.0026) USER MOD Single : A 8 GLN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 12 MET CE :methyl -178:sc= -2.36 (180deg=-2.4) USER MOD Single : A 14 CYS SG : rot 73:sc= 0.342 USER MOD Single : A 17 CYS SG : rot 172:sc= 0 USER MOD Single : A 19 SER OG : rot 46:sc= 1.26 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 GLN : amide:sc= -2.34! K(o=-2.3!,f=-0.94) USER MOD Single : A 34 CYS SG : rot 180:sc= -1.02 USER MOD Single : A 46 SER OG : rot 180:sc= -0.0342 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 HIS : no HE2:sc= -1.11 K(o=-1.1,f=-3.1) USER MOD Single : A 51 THR OG1 : rot 62:sc= 1.2 USER MOD Single : A 52 THR OG1 : rot 48:sc= 0.346 USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=-0.065) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 TYR OH : rot 157:sc= 0.669 USER MOD Single : A 66 HIS : no HD1:sc= -1.84 X(o=-1.8,f=-2.3!) USER MOD Single : A 71 LYS NZ :NH3+ 154:sc= 1.24 (180deg=0.608) USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 GLN : amide:sc= -0.249 K(o=-0.25,f=-3.1!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.688 -13.124 -11.094 1.00 9.90 N ATOM 2 CA MET A 1 0.363 -13.209 -11.758 1.00 8.16 C ATOM 3 C MET A 1 -0.706 -12.699 -10.794 1.00 6.25 C ATOM 4 O MET A 1 -0.315 -12.185 -9.753 1.00 6.73 O ATOM 5 CB MET A 1 0.075 -14.619 -12.316 1.00 8.00 C ATOM 6 CG MET A 1 -0.070 -15.723 -11.259 1.00 8.48 C ATOM 7 SD MET A 1 1.450 -16.113 -10.350 1.00 9.91 S ATOM 8 CE MET A 1 0.828 -17.430 -9.266 1.00 10.16 C ATOM 0 H1 MET A 1 2.396 -12.784 -11.775 1.00 9.90 H new ATOM 0 H2 MET A 1 1.633 -12.463 -10.293 1.00 9.90 H new ATOM 0 H3 MET A 1 1.964 -14.065 -10.748 1.00 9.90 H new ATOM 0 HA MET A 1 0.356 -12.567 -12.639 1.00 8.16 H new ATOM 0 HB2 MET A 1 -0.841 -14.579 -12.905 1.00 8.00 H new ATOM 0 HB3 MET A 1 0.880 -14.894 -12.998 1.00 8.00 H new ATOM 0 HG2 MET A 1 -0.837 -15.423 -10.545 1.00 8.48 H new ATOM 0 HG3 MET A 1 -0.427 -16.630 -11.748 1.00 8.48 H new ATOM 0 HE1 MET A 1 1.637 -17.791 -8.631 1.00 10.16 H new ATOM 0 HE2 MET A 1 0.024 -17.039 -8.642 1.00 10.16 H new ATOM 0 HE3 MET A 1 0.449 -18.252 -9.873 1.00 10.16 H new ATOM 20 N ALA A 2 -1.994 -12.807 -11.156 1.00 4.69 N ATOM 21 CA ALA A 2 -3.145 -12.241 -10.435 1.00 3.11 C ATOM 22 C ALA A 2 -3.205 -10.701 -10.546 1.00 2.36 C ATOM 23 O ALA A 2 -2.369 -10.078 -11.203 1.00 2.71 O ATOM 24 CB ALA A 2 -3.182 -12.744 -8.985 1.00 2.80 C ATOM 0 H ALA A 2 -2.274 -13.313 -11.996 1.00 4.69 H new ATOM 0 HA ALA A 2 -4.054 -12.600 -10.918 1.00 3.11 H new ATOM 0 HB1 ALA A 2 -4.041 -12.312 -8.472 1.00 2.80 H new ATOM 0 HB2 ALA A 2 -3.264 -13.831 -8.979 1.00 2.80 H new ATOM 0 HB3 ALA A 2 -2.267 -12.447 -8.473 1.00 2.80 H new ATOM 30 N GLN A 3 -4.221 -10.097 -9.934 1.00 1.74 N ATOM 31 CA GLN A 3 -4.565 -8.675 -10.013 1.00 1.17 C ATOM 32 C GLN A 3 -3.690 -7.818 -9.077 1.00 1.07 C ATOM 33 O GLN A 3 -4.182 -7.008 -8.289 1.00 1.38 O ATOM 34 CB GLN A 3 -6.095 -8.491 -9.853 1.00 1.25 C ATOM 35 CG GLN A 3 -6.794 -8.948 -8.549 1.00 2.04 C ATOM 36 CD GLN A 3 -7.011 -10.461 -8.383 1.00 3.47 C ATOM 37 OE1 GLN A 3 -6.524 -11.290 -9.141 1.00 3.52 O ATOM 38 NE2 GLN A 3 -7.752 -10.903 -7.392 1.00 5.10 N ATOM 0 H GLN A 3 -4.864 -10.614 -9.335 1.00 1.74 H new ATOM 0 HA GLN A 3 -4.325 -8.291 -11.005 1.00 1.17 H new ATOM 0 HB2 GLN A 3 -6.310 -7.430 -9.982 1.00 1.25 H new ATOM 0 HB3 GLN A 3 -6.574 -9.016 -10.679 1.00 1.25 H new ATOM 0 HG2 GLN A 3 -6.205 -8.593 -7.703 1.00 2.04 H new ATOM 0 HG3 GLN A 3 -7.765 -8.455 -8.491 1.00 2.04 H new ATOM 0 HE21 GLN A 3 -8.176 -10.244 -6.739 1.00 5.10 H new ATOM 0 HE22 GLN A 3 -7.904 -11.905 -7.276 1.00 5.10 H new ATOM 47 N THR A 4 -2.365 -8.013 -9.153 1.00 0.90 N ATOM 48 CA THR A 4 -1.387 -7.351 -8.283 1.00 0.86 C ATOM 49 C THR A 4 -0.814 -6.122 -8.966 1.00 0.97 C ATOM 50 O THR A 4 -0.326 -6.167 -10.094 1.00 1.29 O ATOM 51 CB THR A 4 -0.319 -8.335 -7.770 1.00 0.84 C ATOM 52 OG1 THR A 4 0.556 -7.646 -6.914 1.00 0.94 O ATOM 53 CG2 THR A 4 0.525 -8.986 -8.866 1.00 1.11 C ATOM 0 H THR A 4 -1.939 -8.645 -9.831 1.00 0.90 H new ATOM 0 HA THR A 4 -1.897 -6.997 -7.387 1.00 0.86 H new ATOM 0 HB THR A 4 -0.866 -9.134 -7.270 1.00 0.84 H new ATOM 0 HG1 THR A 4 1.240 -8.263 -6.580 1.00 0.94 H new ATOM 0 HG21 THR A 4 1.250 -9.663 -8.413 1.00 1.11 H new ATOM 0 HG22 THR A 4 -0.123 -9.546 -9.540 1.00 1.11 H new ATOM 0 HG23 THR A 4 1.051 -8.214 -9.427 1.00 1.11 H new ATOM 61 N ILE A 5 -0.865 -5.008 -8.241 1.00 0.81 N ATOM 62 CA ILE A 5 -0.139 -3.789 -8.564 1.00 0.83 C ATOM 63 C ILE A 5 1.142 -3.802 -7.730 1.00 0.60 C ATOM 64 O ILE A 5 1.106 -4.004 -6.513 1.00 0.49 O ATOM 65 CB ILE A 5 -0.974 -2.510 -8.307 1.00 1.03 C ATOM 66 CG1 ILE A 5 -2.329 -2.477 -9.057 1.00 1.41 C ATOM 67 CG2 ILE A 5 -0.167 -1.279 -8.763 1.00 1.13 C ATOM 68 CD1 ILE A 5 -3.471 -3.235 -8.368 1.00 1.45 C ATOM 0 H ILE A 5 -1.426 -4.929 -7.393 1.00 0.81 H new ATOM 0 HA ILE A 5 0.089 -3.766 -9.630 1.00 0.83 H new ATOM 0 HB ILE A 5 -1.187 -2.504 -7.238 1.00 1.03 H new ATOM 0 HG12 ILE A 5 -2.630 -1.437 -9.187 1.00 1.41 H new ATOM 0 HG13 ILE A 5 -2.186 -2.894 -10.054 1.00 1.41 H new ATOM 0 HG21 ILE A 5 -0.750 -0.375 -8.585 1.00 1.13 H new ATOM 0 HG22 ILE A 5 0.765 -1.226 -8.201 1.00 1.13 H new ATOM 0 HG23 ILE A 5 0.055 -1.363 -9.827 1.00 1.13 H new ATOM 0 HD11 ILE A 5 -4.377 -3.153 -8.969 1.00 1.45 H new ATOM 0 HD12 ILE A 5 -3.199 -4.285 -8.262 1.00 1.45 H new ATOM 0 HD13 ILE A 5 -3.650 -2.806 -7.382 1.00 1.45 H new ATOM 80 N ASN A 6 2.255 -3.556 -8.411 1.00 0.68 N ATOM 81 CA ASN A 6 3.549 -3.214 -7.839 1.00 0.55 C ATOM 82 C ASN A 6 3.962 -1.834 -8.369 1.00 0.48 C ATOM 83 O ASN A 6 3.718 -1.488 -9.537 1.00 0.66 O ATOM 84 CB ASN A 6 4.597 -4.277 -8.195 1.00 0.71 C ATOM 85 CG ASN A 6 4.755 -4.405 -9.700 1.00 1.00 C ATOM 86 OD1 ASN A 6 5.618 -3.796 -10.313 1.00 2.09 O ATOM 87 ND2 ASN A 6 3.858 -5.116 -10.356 1.00 1.17 N ATOM 0 H ASN A 6 2.279 -3.592 -9.430 1.00 0.68 H new ATOM 0 HA ASN A 6 3.478 -3.182 -6.752 1.00 0.55 H new ATOM 0 HB2 ASN A 6 5.555 -4.013 -7.747 1.00 0.71 H new ATOM 0 HB3 ASN A 6 4.302 -5.238 -7.774 1.00 0.71 H new ATOM 0 HD21 ASN A 6 3.885 -5.157 -11.375 1.00 1.17 H new ATOM 0 HD22 ASN A 6 3.137 -5.625 -9.844 1.00 1.17 H new ATOM 94 N LEU A 7 4.553 -1.034 -7.488 1.00 0.52 N ATOM 95 CA LEU A 7 4.798 0.395 -7.668 1.00 0.49 C ATOM 96 C LEU A 7 5.713 0.895 -6.538 1.00 0.42 C ATOM 97 O LEU A 7 6.053 0.129 -5.641 1.00 0.41 O ATOM 98 CB LEU A 7 3.441 1.131 -7.772 1.00 0.51 C ATOM 99 CG LEU A 7 2.682 1.459 -6.462 1.00 0.51 C ATOM 100 CD1 LEU A 7 1.425 2.263 -6.817 1.00 0.61 C ATOM 101 CD2 LEU A 7 2.282 0.215 -5.653 1.00 0.56 C ATOM 0 H LEU A 7 4.890 -1.378 -6.589 1.00 0.52 H new ATOM 0 HA LEU A 7 5.327 0.603 -8.598 1.00 0.49 H new ATOM 0 HB2 LEU A 7 3.611 2.068 -8.302 1.00 0.51 H new ATOM 0 HB3 LEU A 7 2.782 0.527 -8.396 1.00 0.51 H new ATOM 0 HG LEU A 7 3.360 2.031 -5.829 1.00 0.51 H new ATOM 0 HD11 LEU A 7 0.877 2.503 -5.906 1.00 0.61 H new ATOM 0 HD12 LEU A 7 1.713 3.186 -7.321 1.00 0.61 H new ATOM 0 HD13 LEU A 7 0.790 1.672 -7.477 1.00 0.61 H new ATOM 0 HD21 LEU A 7 1.755 0.522 -4.750 1.00 0.56 H new ATOM 0 HD22 LEU A 7 1.630 -0.417 -6.256 1.00 0.56 H new ATOM 0 HD23 LEU A 7 3.177 -0.344 -5.378 1.00 0.56 H new ATOM 113 N GLN A 8 6.120 2.162 -6.540 1.00 0.42 N ATOM 114 CA GLN A 8 6.760 2.782 -5.380 1.00 0.42 C ATOM 115 C GLN A 8 5.741 3.587 -4.572 1.00 0.41 C ATOM 116 O GLN A 8 4.656 3.929 -5.044 1.00 0.43 O ATOM 117 CB GLN A 8 7.981 3.609 -5.797 1.00 0.63 C ATOM 118 CG GLN A 8 9.256 2.773 -5.971 1.00 0.75 C ATOM 119 CD GLN A 8 10.392 3.634 -6.527 1.00 1.12 C ATOM 120 OE1 GLN A 8 10.344 4.128 -7.645 1.00 1.51 O ATOM 121 NE2 GLN A 8 11.434 3.874 -5.764 1.00 1.54 N ATOM 0 H GLN A 8 6.017 2.786 -7.340 1.00 0.42 H new ATOM 0 HA GLN A 8 7.135 1.997 -4.724 1.00 0.42 H new ATOM 0 HB2 GLN A 8 7.761 4.120 -6.734 1.00 0.63 H new ATOM 0 HB3 GLN A 8 8.161 4.380 -5.048 1.00 0.63 H new ATOM 0 HG2 GLN A 8 9.551 2.346 -5.012 1.00 0.75 H new ATOM 0 HG3 GLN A 8 9.061 1.939 -6.645 1.00 0.75 H new ATOM 0 HE21 GLN A 8 11.486 3.468 -4.830 1.00 1.54 H new ATOM 0 HE22 GLN A 8 12.191 4.466 -6.106 1.00 1.54 H new ATOM 130 N LEU A 9 6.097 3.869 -3.324 1.00 0.55 N ATOM 131 CA LEU A 9 5.210 4.414 -2.310 1.00 0.66 C ATOM 132 C LEU A 9 5.994 5.520 -1.608 1.00 0.95 C ATOM 133 O LEU A 9 6.961 5.251 -0.903 1.00 1.47 O ATOM 134 CB LEU A 9 4.768 3.233 -1.424 1.00 0.92 C ATOM 135 CG LEU A 9 3.730 3.567 -0.341 1.00 0.91 C ATOM 136 CD1 LEU A 9 2.971 2.278 0.014 1.00 1.83 C ATOM 137 CD2 LEU A 9 4.292 4.186 0.946 1.00 1.17 C ATOM 0 H LEU A 9 7.046 3.718 -2.981 1.00 0.55 H new ATOM 0 HA LEU A 9 4.292 4.871 -2.680 1.00 0.66 H new ATOM 0 HB2 LEU A 9 4.358 2.454 -2.066 1.00 0.92 H new ATOM 0 HB3 LEU A 9 5.651 2.815 -0.939 1.00 0.92 H new ATOM 0 HG LEU A 9 3.086 4.334 -0.770 1.00 0.91 H new ATOM 0 HD11 LEU A 9 2.228 2.493 0.782 1.00 1.83 H new ATOM 0 HD12 LEU A 9 2.472 1.893 -0.875 1.00 1.83 H new ATOM 0 HD13 LEU A 9 3.674 1.533 0.387 1.00 1.83 H new ATOM 0 HD21 LEU A 9 3.476 4.382 1.642 1.00 1.17 H new ATOM 0 HD22 LEU A 9 5.000 3.495 1.403 1.00 1.17 H new ATOM 0 HD23 LEU A 9 4.799 5.121 0.709 1.00 1.17 H new ATOM 149 N GLU A 10 5.626 6.767 -1.890 1.00 0.79 N ATOM 150 CA GLU A 10 6.457 7.946 -1.676 1.00 1.07 C ATOM 151 C GLU A 10 6.058 8.772 -0.458 1.00 0.85 C ATOM 152 O GLU A 10 4.891 8.840 -0.073 1.00 0.66 O ATOM 153 CB GLU A 10 6.428 8.846 -2.925 1.00 1.43 C ATOM 154 CG GLU A 10 7.724 8.681 -3.717 1.00 2.65 C ATOM 155 CD GLU A 10 7.996 9.914 -4.565 1.00 2.93 C ATOM 156 OE1 GLU A 10 7.387 10.002 -5.657 1.00 3.32 O ATOM 157 OE2 GLU A 10 8.800 10.753 -4.095 1.00 3.78 O ATOM 0 H GLU A 10 4.713 6.991 -2.286 1.00 0.79 H new ATOM 0 HA GLU A 10 7.463 7.570 -1.488 1.00 1.07 H new ATOM 0 HB2 GLU A 10 5.574 8.587 -3.551 1.00 1.43 H new ATOM 0 HB3 GLU A 10 6.302 9.888 -2.630 1.00 1.43 H new ATOM 0 HG2 GLU A 10 8.556 8.514 -3.033 1.00 2.65 H new ATOM 0 HG3 GLU A 10 7.656 7.801 -4.357 1.00 2.65 H new ATOM 164 N GLY A 11 7.064 9.424 0.130 1.00 1.26 N ATOM 165 CA GLY A 11 6.969 10.098 1.425 1.00 1.46 C ATOM 166 C GLY A 11 7.482 9.218 2.565 1.00 1.39 C ATOM 167 O GLY A 11 7.886 9.771 3.588 1.00 1.71 O ATOM 0 H GLY A 11 7.989 9.499 -0.292 1.00 1.26 H new ATOM 0 HA2 GLY A 11 7.543 11.024 1.395 1.00 1.46 H new ATOM 0 HA3 GLY A 11 5.931 10.372 1.616 1.00 1.46 H new ATOM 171 N MET A 12 7.555 7.891 2.345 1.00 1.22 N ATOM 172 CA MET A 12 8.126 6.849 3.229 1.00 1.27 C ATOM 173 C MET A 12 9.247 7.329 4.154 1.00 1.29 C ATOM 174 O MET A 12 9.219 7.002 5.336 1.00 2.97 O ATOM 175 CB MET A 12 8.674 5.674 2.393 1.00 1.56 C ATOM 176 CG MET A 12 7.735 4.473 2.306 1.00 2.39 C ATOM 177 SD MET A 12 8.645 2.935 2.013 1.00 3.06 S ATOM 178 CE MET A 12 7.600 2.195 0.748 1.00 4.51 C ATOM 0 H MET A 12 7.191 7.487 1.482 1.00 1.22 H new ATOM 0 HA MET A 12 7.293 6.546 3.863 1.00 1.27 H new ATOM 0 HB2 MET A 12 8.886 6.029 1.384 1.00 1.56 H new ATOM 0 HB3 MET A 12 9.622 5.349 2.822 1.00 1.56 H new ATOM 0 HG2 MET A 12 7.165 4.388 3.231 1.00 2.39 H new ATOM 0 HG3 MET A 12 7.016 4.630 1.502 1.00 2.39 H new ATOM 0 HE1 MET A 12 7.997 1.217 0.475 1.00 4.51 H new ATOM 0 HE2 MET A 12 6.587 2.081 1.134 1.00 4.51 H new ATOM 0 HE3 MET A 12 7.583 2.838 -0.132 1.00 4.51 H new ATOM 188 N ARG A 13 10.186 8.136 3.638 1.00 1.61 N ATOM 189 CA ARG A 13 11.266 8.842 4.358 1.00 1.78 C ATOM 190 C ARG A 13 10.914 9.385 5.765 1.00 1.78 C ATOM 191 O ARG A 13 11.806 9.519 6.599 1.00 2.26 O ATOM 192 CB ARG A 13 11.786 10.023 3.507 1.00 2.92 C ATOM 193 CG ARG A 13 12.052 9.724 2.017 1.00 3.81 C ATOM 194 CD ARG A 13 10.924 10.234 1.103 1.00 4.37 C ATOM 195 NE ARG A 13 11.018 9.634 -0.233 1.00 5.78 N ATOM 196 CZ ARG A 13 10.643 10.122 -1.409 1.00 6.78 C ATOM 197 NH1 ARG A 13 10.074 11.294 -1.588 1.00 6.87 N ATOM 198 NH2 ARG A 13 10.791 9.391 -2.480 1.00 8.22 N ATOM 0 H ARG A 13 10.216 8.329 2.637 1.00 1.61 H new ATOM 0 HA ARG A 13 12.020 8.070 4.515 1.00 1.78 H new ATOM 0 HB2 ARG A 13 11.062 10.835 3.569 1.00 2.92 H new ATOM 0 HB3 ARG A 13 12.711 10.386 3.954 1.00 2.92 H new ATOM 0 HG2 ARG A 13 12.993 10.186 1.719 1.00 3.81 H new ATOM 0 HG3 ARG A 13 12.168 8.649 1.881 1.00 3.81 H new ATOM 0 HD2 ARG A 13 9.957 9.996 1.545 1.00 4.37 H new ATOM 0 HD3 ARG A 13 10.979 11.320 1.023 1.00 4.37 H new ATOM 0 HE ARG A 13 11.434 8.703 -0.262 1.00 5.78 H new ATOM 0 HH11 ARG A 13 9.892 11.900 -0.788 1.00 6.87 H new ATOM 0 HH12 ARG A 13 9.815 11.597 -2.527 1.00 6.87 H new ATOM 0 HH21 ARG A 13 11.191 8.456 -2.408 1.00 8.22 H new ATOM 0 HH22 ARG A 13 10.507 9.755 -3.389 1.00 8.22 H new ATOM 212 N CYS A 14 9.646 9.721 6.041 1.00 2.48 N ATOM 213 CA CYS A 14 9.179 10.240 7.340 1.00 3.39 C ATOM 214 C CYS A 14 9.014 9.158 8.438 1.00 2.97 C ATOM 215 O CYS A 14 8.865 9.508 9.606 1.00 3.81 O ATOM 216 CB CYS A 14 7.875 11.035 7.133 1.00 4.49 C ATOM 217 SG CYS A 14 8.005 12.216 5.755 1.00 6.72 S ATOM 0 H CYS A 14 8.897 9.639 5.353 1.00 2.48 H new ATOM 0 HA CYS A 14 9.962 10.898 7.718 1.00 3.39 H new ATOM 0 HB2 CYS A 14 7.055 10.343 6.940 1.00 4.49 H new ATOM 0 HB3 CYS A 14 7.629 11.573 8.049 1.00 4.49 H new ATOM 0 HG CYS A 14 7.992 11.570 4.627 1.00 6.72 H new ATOM 223 N ALA A 15 9.057 7.873 8.058 1.00 2.85 N ATOM 224 CA ALA A 15 9.093 6.670 8.907 1.00 2.96 C ATOM 225 C ALA A 15 7.717 6.238 9.462 1.00 2.44 C ATOM 226 O ALA A 15 6.669 6.706 9.025 1.00 3.40 O ATOM 227 CB ALA A 15 10.188 6.806 9.985 1.00 3.94 C ATOM 0 H ALA A 15 9.068 7.626 7.068 1.00 2.85 H new ATOM 0 HA ALA A 15 9.367 5.834 8.263 1.00 2.96 H new ATOM 0 HB1 ALA A 15 10.202 5.909 10.604 1.00 3.94 H new ATOM 0 HB2 ALA A 15 11.158 6.930 9.504 1.00 3.94 H new ATOM 0 HB3 ALA A 15 9.978 7.675 10.609 1.00 3.94 H new ATOM 233 N ALA A 16 7.729 5.261 10.378 1.00 1.83 N ATOM 234 CA ALA A 16 6.641 4.753 11.228 1.00 1.77 C ATOM 235 C ALA A 16 5.492 4.077 10.461 1.00 1.19 C ATOM 236 O ALA A 16 5.245 2.882 10.611 1.00 1.44 O ATOM 237 CB ALA A 16 6.144 5.885 12.144 1.00 2.96 C ATOM 0 H ALA A 16 8.593 4.752 10.562 1.00 1.83 H new ATOM 0 HA ALA A 16 7.056 3.947 11.833 1.00 1.77 H new ATOM 0 HB1 ALA A 16 5.337 5.514 12.776 1.00 2.96 H new ATOM 0 HB2 ALA A 16 6.965 6.233 12.770 1.00 2.96 H new ATOM 0 HB3 ALA A 16 5.777 6.711 11.535 1.00 2.96 H new ATOM 243 N CYS A 17 4.789 4.834 9.625 1.00 0.82 N ATOM 244 CA CYS A 17 3.484 4.504 9.053 1.00 0.76 C ATOM 245 C CYS A 17 3.469 3.306 8.087 1.00 0.82 C ATOM 246 O CYS A 17 2.384 2.817 7.788 1.00 0.93 O ATOM 247 CB CYS A 17 2.931 5.761 8.365 1.00 1.24 C ATOM 248 SG CYS A 17 2.711 7.107 9.560 1.00 1.96 S ATOM 0 H CYS A 17 5.130 5.742 9.310 1.00 0.82 H new ATOM 0 HA CYS A 17 2.852 4.183 9.881 1.00 0.76 H new ATOM 0 HB2 CYS A 17 3.612 6.078 7.575 1.00 1.24 H new ATOM 0 HB3 CYS A 17 1.977 5.531 7.890 1.00 1.24 H new ATOM 0 HG CYS A 17 2.403 8.201 8.929 1.00 1.96 H new ATOM 254 N ALA A 18 4.620 2.828 7.603 1.00 0.88 N ATOM 255 CA ALA A 18 4.717 1.794 6.566 1.00 1.00 C ATOM 256 C ALA A 18 3.971 0.501 6.935 1.00 0.96 C ATOM 257 O ALA A 18 3.063 0.090 6.221 1.00 0.90 O ATOM 258 CB ALA A 18 6.202 1.538 6.281 1.00 1.27 C ATOM 0 H ALA A 18 5.530 3.156 7.928 1.00 0.88 H new ATOM 0 HA ALA A 18 4.222 2.154 5.664 1.00 1.00 H new ATOM 0 HB1 ALA A 18 6.298 0.772 5.512 1.00 1.27 H new ATOM 0 HB2 ALA A 18 6.670 2.460 5.935 1.00 1.27 H new ATOM 0 HB3 ALA A 18 6.695 1.201 7.193 1.00 1.27 H new ATOM 264 N SER A 19 4.253 -0.094 8.091 1.00 1.09 N ATOM 265 CA SER A 19 3.512 -1.300 8.521 1.00 1.16 C ATOM 266 C SER A 19 2.074 -0.974 8.974 1.00 0.99 C ATOM 267 O SER A 19 1.186 -1.823 8.974 1.00 1.04 O ATOM 268 CB SER A 19 4.295 -2.085 9.580 1.00 1.46 C ATOM 269 OG SER A 19 3.858 -3.429 9.605 1.00 2.51 O ATOM 0 H SER A 19 4.972 0.222 8.742 1.00 1.09 H new ATOM 0 HA SER A 19 3.412 -1.947 7.649 1.00 1.16 H new ATOM 0 HB2 SER A 19 5.362 -2.045 9.360 1.00 1.46 H new ATOM 0 HB3 SER A 19 4.154 -1.630 10.560 1.00 1.46 H new ATOM 0 HG SER A 19 3.794 -3.769 8.688 1.00 2.51 H new ATOM 275 N SER A 20 1.779 0.295 9.279 1.00 0.85 N ATOM 276 CA SER A 20 0.393 0.735 9.474 1.00 0.79 C ATOM 277 C SER A 20 -0.413 0.793 8.160 1.00 0.62 C ATOM 278 O SER A 20 -1.648 0.744 8.202 1.00 0.65 O ATOM 279 CB SER A 20 0.353 2.071 10.230 1.00 0.86 C ATOM 280 OG SER A 20 -0.687 2.058 11.196 1.00 1.30 O ATOM 0 H SER A 20 2.476 1.031 9.395 1.00 0.85 H new ATOM 0 HA SER A 20 -0.099 -0.021 10.086 1.00 0.79 H new ATOM 0 HB2 SER A 20 1.311 2.249 10.719 1.00 0.86 H new ATOM 0 HB3 SER A 20 0.196 2.890 9.528 1.00 0.86 H new ATOM 0 HG SER A 20 -0.701 2.914 11.673 1.00 1.30 H new ATOM 286 N ILE A 21 0.257 0.847 6.996 1.00 0.53 N ATOM 287 CA ILE A 21 -0.331 0.493 5.691 1.00 0.48 C ATOM 288 C ILE A 21 -0.589 -1.013 5.670 1.00 0.54 C ATOM 289 O ILE A 21 -1.754 -1.397 5.640 1.00 0.57 O ATOM 290 CB ILE A 21 0.534 0.977 4.492 1.00 0.55 C ATOM 291 CG1 ILE A 21 0.769 2.503 4.584 1.00 0.53 C ATOM 292 CG2 ILE A 21 -0.102 0.558 3.155 1.00 0.63 C ATOM 293 CD1 ILE A 21 1.645 3.096 3.482 1.00 0.62 C ATOM 0 H ILE A 21 1.232 1.141 6.933 1.00 0.53 H new ATOM 0 HA ILE A 21 -1.279 1.017 5.570 1.00 0.48 H new ATOM 0 HB ILE A 21 1.511 0.495 4.538 1.00 0.55 H new ATOM 0 HG12 ILE A 21 -0.198 3.005 4.566 1.00 0.53 H new ATOM 0 HG13 ILE A 21 1.226 2.726 5.548 1.00 0.53 H new ATOM 0 HG21 ILE A 21 0.520 0.907 2.331 1.00 0.63 H new ATOM 0 HG22 ILE A 21 -0.182 -0.528 3.115 1.00 0.63 H new ATOM 0 HG23 ILE A 21 -1.096 0.998 3.071 1.00 0.63 H new ATOM 0 HD11 ILE A 21 1.748 4.170 3.637 1.00 0.62 H new ATOM 0 HD12 ILE A 21 2.630 2.629 3.509 1.00 0.62 H new ATOM 0 HD13 ILE A 21 1.183 2.912 2.512 1.00 0.62 H new ATOM 305 N GLU A 22 0.442 -1.862 5.787 1.00 0.60 N ATOM 306 CA GLU A 22 0.306 -3.334 5.736 1.00 0.68 C ATOM 307 C GLU A 22 -0.856 -3.849 6.606 1.00 0.59 C ATOM 308 O GLU A 22 -1.774 -4.514 6.121 1.00 0.54 O ATOM 309 CB GLU A 22 1.604 -4.024 6.193 1.00 0.92 C ATOM 310 CG GLU A 22 2.838 -3.699 5.342 1.00 1.00 C ATOM 311 CD GLU A 22 4.115 -4.326 5.916 1.00 1.64 C ATOM 312 OE1 GLU A 22 4.309 -4.153 7.148 1.00 3.25 O ATOM 313 OE2 GLU A 22 4.881 -4.920 5.118 1.00 1.74 O ATOM 0 H GLU A 22 1.403 -1.549 5.921 1.00 0.60 H new ATOM 0 HA GLU A 22 0.096 -3.581 4.695 1.00 0.68 H new ATOM 0 HB2 GLU A 22 1.807 -3.739 7.225 1.00 0.92 H new ATOM 0 HB3 GLU A 22 1.448 -5.103 6.185 1.00 0.92 H new ATOM 0 HG2 GLU A 22 2.682 -4.060 4.325 1.00 1.00 H new ATOM 0 HG3 GLU A 22 2.961 -2.618 5.281 1.00 1.00 H new ATOM 320 N ARG A 23 -0.878 -3.472 7.888 1.00 0.68 N ATOM 321 CA ARG A 23 -1.890 -3.903 8.858 1.00 0.77 C ATOM 322 C ARG A 23 -3.314 -3.407 8.541 1.00 0.76 C ATOM 323 O ARG A 23 -4.290 -3.960 9.052 1.00 0.88 O ATOM 324 CB ARG A 23 -1.451 -3.432 10.257 1.00 0.99 C ATOM 325 CG ARG A 23 -2.036 -4.323 11.359 1.00 1.22 C ATOM 326 CD ARG A 23 -1.213 -5.618 11.490 1.00 1.60 C ATOM 327 NE ARG A 23 -1.882 -6.620 12.343 1.00 2.11 N ATOM 328 CZ ARG A 23 -2.734 -7.554 11.934 1.00 3.33 C ATOM 329 NH1 ARG A 23 -3.137 -7.628 10.681 1.00 4.79 N ATOM 330 NH2 ARG A 23 -3.198 -8.436 12.792 1.00 3.70 N ATOM 0 H ARG A 23 -0.179 -2.846 8.289 1.00 0.68 H new ATOM 0 HA ARG A 23 -1.950 -4.990 8.809 1.00 0.77 H new ATOM 0 HB2 ARG A 23 -0.363 -3.441 10.320 1.00 0.99 H new ATOM 0 HB3 ARG A 23 -1.771 -2.402 10.412 1.00 0.99 H new ATOM 0 HG2 ARG A 23 -2.037 -3.787 12.308 1.00 1.22 H new ATOM 0 HG3 ARG A 23 -3.074 -4.565 11.129 1.00 1.22 H new ATOM 0 HD2 ARG A 23 -1.044 -6.041 10.500 1.00 1.60 H new ATOM 0 HD3 ARG A 23 -0.234 -5.384 11.908 1.00 1.60 H new ATOM 0 HE ARG A 23 -1.670 -6.593 13.340 1.00 2.11 H new ATOM 0 HH11 ARG A 23 -2.794 -6.956 9.994 1.00 4.79 H new ATOM 0 HH12 ARG A 23 -3.792 -8.357 10.398 1.00 4.79 H new ATOM 0 HH21 ARG A 23 -2.904 -8.402 13.768 1.00 3.70 H new ATOM 0 HH22 ARG A 23 -3.852 -9.154 12.481 1.00 3.70 H new ATOM 344 N ALA A 24 -3.451 -2.345 7.742 1.00 0.70 N ATOM 345 CA ALA A 24 -4.741 -1.849 7.260 1.00 0.76 C ATOM 346 C ALA A 24 -5.124 -2.433 5.885 1.00 0.73 C ATOM 347 O ALA A 24 -6.297 -2.702 5.646 1.00 0.98 O ATOM 348 CB ALA A 24 -4.693 -0.314 7.230 1.00 0.76 C ATOM 0 H ALA A 24 -2.657 -1.799 7.408 1.00 0.70 H new ATOM 0 HA ALA A 24 -5.522 -2.180 7.944 1.00 0.76 H new ATOM 0 HB1 ALA A 24 -5.647 0.073 6.873 1.00 0.76 H new ATOM 0 HB2 ALA A 24 -4.501 0.064 8.234 1.00 0.76 H new ATOM 0 HB3 ALA A 24 -3.896 0.012 6.562 1.00 0.76 H new ATOM 354 N ILE A 25 -4.145 -2.679 5.009 1.00 0.59 N ATOM 355 CA ILE A 25 -4.303 -3.370 3.721 1.00 0.75 C ATOM 356 C ILE A 25 -4.809 -4.789 3.960 1.00 0.71 C ATOM 357 O ILE A 25 -5.795 -5.192 3.344 1.00 0.76 O ATOM 358 CB ILE A 25 -2.961 -3.314 2.948 1.00 0.90 C ATOM 359 CG1 ILE A 25 -2.646 -1.892 2.431 1.00 1.07 C ATOM 360 CG2 ILE A 25 -2.905 -4.313 1.784 1.00 1.35 C ATOM 361 CD1 ILE A 25 -3.714 -1.272 1.527 1.00 1.35 C ATOM 0 H ILE A 25 -3.182 -2.392 5.183 1.00 0.59 H new ATOM 0 HA ILE A 25 -5.050 -2.876 3.099 1.00 0.75 H new ATOM 0 HB ILE A 25 -2.198 -3.598 3.673 1.00 0.90 H new ATOM 0 HG12 ILE A 25 -2.495 -1.237 3.289 1.00 1.07 H new ATOM 0 HG13 ILE A 25 -1.704 -1.923 1.884 1.00 1.07 H new ATOM 0 HG21 ILE A 25 -1.943 -4.229 1.279 1.00 1.35 H new ATOM 0 HG22 ILE A 25 -3.027 -5.326 2.168 1.00 1.35 H new ATOM 0 HG23 ILE A 25 -3.706 -4.094 1.078 1.00 1.35 H new ATOM 0 HD11 ILE A 25 -3.397 -0.276 1.219 1.00 1.35 H new ATOM 0 HD12 ILE A 25 -3.852 -1.897 0.645 1.00 1.35 H new ATOM 0 HD13 ILE A 25 -4.655 -1.201 2.072 1.00 1.35 H new ATOM 373 N ALA A 26 -4.263 -5.469 4.970 1.00 0.67 N ATOM 374 CA ALA A 26 -4.700 -6.775 5.476 1.00 0.70 C ATOM 375 C ALA A 26 -6.173 -6.846 5.970 1.00 0.67 C ATOM 376 O ALA A 26 -6.571 -7.834 6.581 1.00 0.58 O ATOM 377 CB ALA A 26 -3.695 -7.208 6.553 1.00 0.84 C ATOM 0 H ALA A 26 -3.461 -5.106 5.485 1.00 0.67 H new ATOM 0 HA ALA A 26 -4.707 -7.473 4.639 1.00 0.70 H new ATOM 0 HB1 ALA A 26 -3.987 -8.178 6.954 1.00 0.84 H new ATOM 0 HB2 ALA A 26 -2.700 -7.282 6.114 1.00 0.84 H new ATOM 0 HB3 ALA A 26 -3.683 -6.472 7.357 1.00 0.84 H new ATOM 383 N LYS A 27 -6.979 -5.800 5.749 1.00 0.87 N ATOM 384 CA LYS A 27 -8.439 -5.784 5.910 1.00 0.94 C ATOM 385 C LYS A 27 -9.225 -5.723 4.581 1.00 0.96 C ATOM 386 O LYS A 27 -10.434 -5.944 4.593 1.00 1.04 O ATOM 387 CB LYS A 27 -8.832 -4.579 6.752 1.00 1.10 C ATOM 388 CG LYS A 27 -8.154 -4.570 8.128 1.00 1.25 C ATOM 389 CD LYS A 27 -8.642 -3.311 8.825 1.00 2.01 C ATOM 390 CE LYS A 27 -7.780 -2.973 10.042 1.00 1.93 C ATOM 391 NZ LYS A 27 -8.145 -1.645 10.590 1.00 3.12 N ATOM 0 H LYS A 27 -6.614 -4.899 5.439 1.00 0.87 H new ATOM 0 HA LYS A 27 -8.700 -6.728 6.389 1.00 0.94 H new ATOM 0 HB2 LYS A 27 -8.570 -3.666 6.217 1.00 1.10 H new ATOM 0 HB3 LYS A 27 -9.914 -4.571 6.885 1.00 1.10 H new ATOM 0 HG2 LYS A 27 -8.418 -5.460 8.699 1.00 1.25 H new ATOM 0 HG3 LYS A 27 -7.069 -4.566 8.029 1.00 1.25 H new ATOM 0 HD2 LYS A 27 -8.626 -2.477 8.124 1.00 2.01 H new ATOM 0 HD3 LYS A 27 -9.678 -3.445 9.138 1.00 2.01 H new ATOM 0 HE2 LYS A 27 -7.910 -3.737 10.809 1.00 1.93 H new ATOM 0 HE3 LYS A 27 -6.727 -2.979 9.761 1.00 1.93 H new ATOM 0 HZ1 LYS A 27 -7.549 -1.434 11.415 1.00 3.12 H new ATOM 0 HZ2 LYS A 27 -7.999 -0.917 9.862 1.00 3.12 H new ATOM 0 HZ3 LYS A 27 -9.144 -1.651 10.878 1.00 3.12 H new ATOM 405 N VAL A 28 -8.593 -5.351 3.461 1.00 0.93 N ATOM 406 CA VAL A 28 -9.285 -4.996 2.205 1.00 1.00 C ATOM 407 C VAL A 28 -9.871 -6.256 1.551 1.00 1.13 C ATOM 408 O VAL A 28 -9.147 -7.244 1.402 1.00 1.11 O ATOM 409 CB VAL A 28 -8.354 -4.237 1.225 1.00 0.99 C ATOM 410 CG1 VAL A 28 -9.068 -3.815 -0.072 1.00 1.27 C ATOM 411 CG2 VAL A 28 -7.823 -2.952 1.885 1.00 1.21 C ATOM 0 H VAL A 28 -7.577 -5.286 3.395 1.00 0.93 H new ATOM 0 HA VAL A 28 -10.102 -4.318 2.452 1.00 1.00 H new ATOM 0 HB VAL A 28 -7.549 -4.930 0.980 1.00 0.99 H new ATOM 0 HG11 VAL A 28 -8.366 -3.288 -0.719 1.00 1.27 H new ATOM 0 HG12 VAL A 28 -9.441 -4.700 -0.587 1.00 1.27 H new ATOM 0 HG13 VAL A 28 -9.903 -3.157 0.170 1.00 1.27 H new ATOM 0 HG21 VAL A 28 -7.170 -2.427 1.187 1.00 1.21 H new ATOM 0 HG22 VAL A 28 -8.660 -2.308 2.153 1.00 1.21 H new ATOM 0 HG23 VAL A 28 -7.262 -3.209 2.783 1.00 1.21 H new ATOM 421 N PRO A 29 -11.164 -6.266 1.166 1.00 1.35 N ATOM 422 CA PRO A 29 -11.832 -7.481 0.722 1.00 1.59 C ATOM 423 C PRO A 29 -11.195 -8.008 -0.566 1.00 1.71 C ATOM 424 O PRO A 29 -11.302 -7.397 -1.628 1.00 3.37 O ATOM 425 CB PRO A 29 -13.317 -7.134 0.571 1.00 1.84 C ATOM 426 CG PRO A 29 -13.311 -5.618 0.395 1.00 1.78 C ATOM 427 CD PRO A 29 -12.122 -5.174 1.241 1.00 1.47 C ATOM 0 HA PRO A 29 -11.726 -8.293 1.441 1.00 1.59 H new ATOM 0 HB2 PRO A 29 -13.761 -7.636 -0.288 1.00 1.84 H new ATOM 0 HB3 PRO A 29 -13.891 -7.434 1.448 1.00 1.84 H new ATOM 0 HG2 PRO A 29 -13.190 -5.334 -0.650 1.00 1.78 H new ATOM 0 HG3 PRO A 29 -14.242 -5.169 0.741 1.00 1.78 H new ATOM 0 HD2 PRO A 29 -11.692 -4.248 0.859 1.00 1.47 H new ATOM 0 HD3 PRO A 29 -12.422 -4.985 2.272 1.00 1.47 H new ATOM 435 N GLY A 30 -10.508 -9.148 -0.436 1.00 0.96 N ATOM 436 CA GLY A 30 -9.767 -9.804 -1.514 1.00 1.09 C ATOM 437 C GLY A 30 -8.260 -9.540 -1.554 1.00 0.88 C ATOM 438 O GLY A 30 -7.636 -9.951 -2.531 1.00 0.96 O ATOM 0 H GLY A 30 -10.452 -9.653 0.449 1.00 0.96 H new ATOM 0 HA2 GLY A 30 -9.925 -10.880 -1.433 1.00 1.09 H new ATOM 0 HA3 GLY A 30 -10.196 -9.489 -2.466 1.00 1.09 H new ATOM 442 N VAL A 31 -7.652 -8.935 -0.520 1.00 0.80 N ATOM 443 CA VAL A 31 -6.181 -8.989 -0.343 1.00 0.85 C ATOM 444 C VAL A 31 -5.683 -10.424 -0.430 1.00 0.85 C ATOM 445 O VAL A 31 -6.106 -11.291 0.334 1.00 0.94 O ATOM 446 CB VAL A 31 -5.591 -8.397 0.960 1.00 0.92 C ATOM 447 CG1 VAL A 31 -5.194 -6.942 0.723 1.00 3.25 C ATOM 448 CG2 VAL A 31 -6.417 -8.581 2.246 1.00 2.33 C ATOM 0 H VAL A 31 -8.144 -8.408 0.201 1.00 0.80 H new ATOM 0 HA VAL A 31 -5.835 -8.349 -1.155 1.00 0.85 H new ATOM 0 HB VAL A 31 -4.710 -9.001 1.176 1.00 0.92 H new ATOM 0 HG11 VAL A 31 -4.778 -6.524 1.640 1.00 3.25 H new ATOM 0 HG12 VAL A 31 -4.447 -6.893 -0.069 1.00 3.25 H new ATOM 0 HG13 VAL A 31 -6.073 -6.368 0.429 1.00 3.25 H new ATOM 0 HG21 VAL A 31 -5.893 -8.121 3.084 1.00 2.33 H new ATOM 0 HG22 VAL A 31 -7.391 -8.108 2.124 1.00 2.33 H new ATOM 0 HG23 VAL A 31 -6.553 -9.645 2.442 1.00 2.33 H new ATOM 458 N GLN A 32 -4.768 -10.647 -1.369 1.00 0.84 N ATOM 459 CA GLN A 32 -4.164 -11.973 -1.581 1.00 0.91 C ATOM 460 C GLN A 32 -2.637 -11.990 -1.452 1.00 1.12 C ATOM 461 O GLN A 32 -2.047 -13.060 -1.488 1.00 1.43 O ATOM 462 CB GLN A 32 -4.670 -12.594 -2.899 1.00 1.07 C ATOM 463 CG GLN A 32 -4.187 -11.883 -4.169 1.00 1.16 C ATOM 464 CD GLN A 32 -3.044 -12.594 -4.902 1.00 1.54 C ATOM 465 OE1 GLN A 32 -3.186 -13.050 -6.020 1.00 1.96 O ATOM 466 NE2 GLN A 32 -1.862 -12.696 -4.334 1.00 1.67 N ATOM 0 H GLN A 32 -4.422 -9.926 -2.002 1.00 0.84 H new ATOM 0 HA GLN A 32 -4.501 -12.609 -0.763 1.00 0.91 H new ATOM 0 HB2 GLN A 32 -4.353 -13.636 -2.939 1.00 1.07 H new ATOM 0 HB3 GLN A 32 -5.760 -12.593 -2.890 1.00 1.07 H new ATOM 0 HG2 GLN A 32 -5.029 -11.777 -4.853 1.00 1.16 H new ATOM 0 HG3 GLN A 32 -3.862 -10.877 -3.905 1.00 1.16 H new ATOM 0 HE21 GLN A 32 -1.713 -12.323 -3.397 1.00 1.67 H new ATOM 0 HE22 GLN A 32 -1.095 -13.148 -4.831 1.00 1.67 H new ATOM 475 N SER A 33 -1.960 -10.850 -1.307 1.00 1.05 N ATOM 476 CA SER A 33 -0.516 -10.762 -1.017 1.00 1.43 C ATOM 477 C SER A 33 -0.192 -9.293 -0.762 1.00 1.01 C ATOM 478 O SER A 33 -0.775 -8.440 -1.429 1.00 0.77 O ATOM 479 CB SER A 33 0.328 -11.355 -2.164 1.00 2.08 C ATOM 480 OG SER A 33 1.717 -11.082 -2.080 1.00 3.19 O ATOM 0 H SER A 33 -2.406 -9.936 -1.389 1.00 1.05 H new ATOM 0 HA SER A 33 -0.266 -11.353 -0.136 1.00 1.43 H new ATOM 0 HB2 SER A 33 0.184 -12.435 -2.182 1.00 2.08 H new ATOM 0 HB3 SER A 33 -0.048 -10.968 -3.111 1.00 2.08 H new ATOM 0 HG SER A 33 1.974 -10.981 -1.140 1.00 3.19 H new ATOM 486 N CYS A 34 0.643 -8.987 0.242 1.00 1.14 N ATOM 487 CA CYS A 34 0.798 -7.643 0.807 1.00 0.72 C ATOM 488 C CYS A 34 2.225 -7.475 1.349 1.00 0.55 C ATOM 489 O CYS A 34 2.554 -8.041 2.390 1.00 0.97 O ATOM 490 CB CYS A 34 -0.220 -7.417 1.951 1.00 1.40 C ATOM 491 SG CYS A 34 -1.909 -7.940 1.540 1.00 2.21 S ATOM 0 H CYS A 34 1.240 -9.682 0.691 1.00 1.14 H new ATOM 0 HA CYS A 34 0.614 -6.909 0.023 1.00 0.72 H new ATOM 0 HB2 CYS A 34 0.114 -7.960 2.835 1.00 1.40 H new ATOM 0 HB3 CYS A 34 -0.230 -6.359 2.212 1.00 1.40 H new ATOM 0 HG CYS A 34 -2.691 -7.716 2.554 1.00 2.21 H new ATOM 497 N GLN A 35 3.068 -6.730 0.639 1.00 0.50 N ATOM 498 CA GLN A 35 4.451 -6.490 1.036 1.00 0.51 C ATOM 499 C GLN A 35 4.873 -5.076 0.614 1.00 0.51 C ATOM 500 O GLN A 35 4.395 -4.558 -0.400 1.00 0.76 O ATOM 501 CB GLN A 35 5.403 -7.532 0.406 1.00 0.55 C ATOM 502 CG GLN A 35 5.079 -9.031 0.627 1.00 1.09 C ATOM 503 CD GLN A 35 3.943 -9.620 -0.225 1.00 1.81 C ATOM 504 OE1 GLN A 35 3.211 -10.519 0.175 1.00 3.18 O ATOM 505 NE2 GLN A 35 3.717 -9.170 -1.444 1.00 2.24 N ATOM 0 H GLN A 35 2.808 -6.273 -0.235 1.00 0.50 H new ATOM 0 HA GLN A 35 4.516 -6.584 2.120 1.00 0.51 H new ATOM 0 HB2 GLN A 35 5.435 -7.351 -0.668 1.00 0.55 H new ATOM 0 HB3 GLN A 35 6.406 -7.346 0.790 1.00 0.55 H new ATOM 0 HG2 GLN A 35 5.984 -9.608 0.435 1.00 1.09 H new ATOM 0 HG3 GLN A 35 4.827 -9.174 1.678 1.00 1.09 H new ATOM 0 HE21 GLN A 35 4.296 -8.423 -1.827 1.00 2.24 H new ATOM 0 HE22 GLN A 35 2.963 -9.569 -2.003 1.00 2.24 H new ATOM 514 N VAL A 36 5.803 -4.480 1.361 1.00 0.49 N ATOM 515 CA VAL A 36 6.402 -3.164 1.123 1.00 0.47 C ATOM 516 C VAL A 36 7.821 -3.152 1.706 1.00 0.48 C ATOM 517 O VAL A 36 8.070 -3.705 2.776 1.00 0.63 O ATOM 518 CB VAL A 36 5.501 -2.026 1.673 1.00 0.68 C ATOM 519 CG1 VAL A 36 5.219 -2.131 3.178 1.00 1.51 C ATOM 520 CG2 VAL A 36 6.065 -0.626 1.408 1.00 1.19 C ATOM 0 H VAL A 36 6.181 -4.927 2.196 1.00 0.49 H new ATOM 0 HA VAL A 36 6.479 -2.976 0.052 1.00 0.47 H new ATOM 0 HB VAL A 36 4.571 -2.162 1.122 1.00 0.68 H new ATOM 0 HG11 VAL A 36 4.584 -1.301 3.488 1.00 1.51 H new ATOM 0 HG12 VAL A 36 4.714 -3.074 3.389 1.00 1.51 H new ATOM 0 HG13 VAL A 36 6.159 -2.093 3.728 1.00 1.51 H new ATOM 0 HG21 VAL A 36 5.387 0.123 1.818 1.00 1.19 H new ATOM 0 HG22 VAL A 36 7.041 -0.531 1.884 1.00 1.19 H new ATOM 0 HG23 VAL A 36 6.168 -0.473 0.334 1.00 1.19 H new ATOM 530 N ASN A 37 8.762 -2.566 0.967 1.00 0.49 N ATOM 531 CA ASN A 37 10.197 -2.620 1.238 1.00 0.59 C ATOM 532 C ASN A 37 10.693 -1.277 1.787 1.00 0.74 C ATOM 533 O ASN A 37 11.014 -0.354 1.025 1.00 0.80 O ATOM 534 CB ASN A 37 10.896 -3.036 -0.061 1.00 0.60 C ATOM 535 CG ASN A 37 12.384 -3.323 0.096 1.00 0.79 C ATOM 536 OD1 ASN A 37 13.103 -2.669 0.840 1.00 1.11 O ATOM 537 ND2 ASN A 37 12.886 -4.294 -0.641 1.00 1.10 N ATOM 0 H ASN A 37 8.538 -2.022 0.134 1.00 0.49 H new ATOM 0 HA ASN A 37 10.429 -3.354 2.010 1.00 0.59 H new ATOM 0 HB2 ASN A 37 10.405 -3.926 -0.456 1.00 0.60 H new ATOM 0 HB3 ASN A 37 10.766 -2.245 -0.800 1.00 0.60 H new ATOM 0 HD21 ASN A 37 13.883 -4.506 -0.595 1.00 1.10 H new ATOM 0 HD22 ASN A 37 12.278 -4.833 -1.258 1.00 1.10 H new ATOM 544 N PHE A 38 10.761 -1.174 3.120 1.00 0.88 N ATOM 545 CA PHE A 38 11.116 0.051 3.838 1.00 1.06 C ATOM 546 C PHE A 38 12.633 0.336 3.813 1.00 1.22 C ATOM 547 O PHE A 38 13.307 0.363 4.838 1.00 1.64 O ATOM 548 CB PHE A 38 10.494 0.042 5.248 1.00 1.17 C ATOM 549 CG PHE A 38 10.389 1.453 5.787 1.00 1.16 C ATOM 550 CD1 PHE A 38 9.395 2.302 5.272 1.00 2.02 C ATOM 551 CD2 PHE A 38 11.360 1.964 6.668 1.00 2.62 C ATOM 552 CE1 PHE A 38 9.406 3.673 5.570 1.00 2.56 C ATOM 553 CE2 PHE A 38 11.371 3.335 6.974 1.00 3.06 C ATOM 554 CZ PHE A 38 10.417 4.192 6.399 1.00 2.52 C ATOM 0 H PHE A 38 10.566 -1.959 3.741 1.00 0.88 H new ATOM 0 HA PHE A 38 10.682 0.901 3.311 1.00 1.06 H new ATOM 0 HB2 PHE A 38 9.505 -0.415 5.213 1.00 1.17 H new ATOM 0 HB3 PHE A 38 11.103 -0.566 5.917 1.00 1.17 H new ATOM 0 HD1 PHE A 38 8.617 1.896 4.642 1.00 2.02 H new ATOM 0 HD2 PHE A 38 12.094 1.305 7.107 1.00 2.62 H new ATOM 0 HE1 PHE A 38 8.645 4.324 5.166 1.00 2.56 H new ATOM 0 HE2 PHE A 38 12.113 3.731 7.652 1.00 3.06 H new ATOM 0 HZ PHE A 38 10.460 5.253 6.594 1.00 2.52 H new ATOM 564 N ALA A 39 13.153 0.532 2.598 1.00 1.01 N ATOM 565 CA ALA A 39 14.514 0.943 2.254 1.00 1.10 C ATOM 566 C ALA A 39 14.580 1.402 0.787 1.00 1.13 C ATOM 567 O ALA A 39 15.181 2.427 0.484 1.00 1.37 O ATOM 568 CB ALA A 39 15.479 -0.225 2.517 1.00 1.01 C ATOM 0 H ALA A 39 12.585 0.396 1.762 1.00 1.01 H new ATOM 0 HA ALA A 39 14.810 1.787 2.877 1.00 1.10 H new ATOM 0 HB1 ALA A 39 16.495 0.078 2.262 1.00 1.01 H new ATOM 0 HB2 ALA A 39 15.437 -0.502 3.570 1.00 1.01 H new ATOM 0 HB3 ALA A 39 15.191 -1.080 1.905 1.00 1.01 H new ATOM 574 N LEU A 40 13.930 0.663 -0.124 1.00 0.98 N ATOM 575 CA LEU A 40 13.931 0.885 -1.562 1.00 1.00 C ATOM 576 C LEU A 40 12.568 1.435 -2.075 1.00 0.94 C ATOM 577 O LEU A 40 12.391 1.722 -3.257 1.00 1.20 O ATOM 578 CB LEU A 40 14.404 -0.491 -2.083 1.00 0.98 C ATOM 579 CG LEU A 40 14.177 -0.790 -3.555 1.00 0.98 C ATOM 580 CD1 LEU A 40 14.905 0.179 -4.500 1.00 1.14 C ATOM 581 CD2 LEU A 40 14.632 -2.226 -3.869 1.00 0.97 C ATOM 0 H LEU A 40 13.365 -0.143 0.144 1.00 0.98 H new ATOM 0 HA LEU A 40 14.585 1.676 -1.931 1.00 1.00 H new ATOM 0 HB2 LEU A 40 15.471 -0.580 -1.881 1.00 0.98 H new ATOM 0 HB3 LEU A 40 13.903 -1.264 -1.500 1.00 0.98 H new ATOM 0 HG LEU A 40 13.108 -0.667 -3.730 1.00 0.98 H new ATOM 0 HD11 LEU A 40 14.697 -0.096 -5.534 1.00 1.14 H new ATOM 0 HD12 LEU A 40 14.557 1.196 -4.318 1.00 1.14 H new ATOM 0 HD13 LEU A 40 15.979 0.125 -4.320 1.00 1.14 H new ATOM 0 HD21 LEU A 40 14.468 -2.437 -4.926 1.00 0.97 H new ATOM 0 HD22 LEU A 40 15.692 -2.330 -3.639 1.00 0.97 H new ATOM 0 HD23 LEU A 40 14.059 -2.930 -3.265 1.00 0.97 H new ATOM 593 N GLU A 41 11.590 1.611 -1.184 1.00 0.89 N ATOM 594 CA GLU A 41 10.318 2.320 -1.404 1.00 0.87 C ATOM 595 C GLU A 41 9.315 1.593 -2.332 1.00 0.45 C ATOM 596 O GLU A 41 8.276 2.169 -2.654 1.00 0.34 O ATOM 597 CB GLU A 41 10.499 3.816 -1.792 1.00 1.43 C ATOM 598 CG GLU A 41 11.170 4.679 -0.707 1.00 2.02 C ATOM 599 CD GLU A 41 10.958 6.192 -0.925 1.00 2.72 C ATOM 600 OE1 GLU A 41 10.957 6.668 -2.084 1.00 2.26 O ATOM 601 OE2 GLU A 41 10.815 6.937 0.076 1.00 4.22 O ATOM 0 H GLU A 41 11.664 1.244 -0.235 1.00 0.89 H new ATOM 0 HA GLU A 41 9.851 2.305 -0.419 1.00 0.87 H new ATOM 0 HB2 GLU A 41 11.094 3.873 -2.703 1.00 1.43 H new ATOM 0 HB3 GLU A 41 9.522 4.240 -2.023 1.00 1.43 H new ATOM 0 HG2 GLU A 41 10.774 4.399 0.269 1.00 2.02 H new ATOM 0 HG3 GLU A 41 12.239 4.466 -0.690 1.00 2.02 H new ATOM 608 N GLN A 42 9.536 0.338 -2.764 1.00 0.45 N ATOM 609 CA GLN A 42 8.464 -0.395 -3.461 1.00 0.39 C ATOM 610 C GLN A 42 7.397 -0.915 -2.503 1.00 0.36 C ATOM 611 O GLN A 42 7.718 -1.399 -1.419 1.00 0.47 O ATOM 612 CB GLN A 42 8.923 -1.500 -4.430 1.00 0.43 C ATOM 613 CG GLN A 42 9.145 -2.937 -3.877 1.00 0.44 C ATOM 614 CD GLN A 42 10.597 -3.359 -3.691 1.00 0.53 C ATOM 615 OE1 GLN A 42 10.925 -4.196 -2.869 1.00 1.26 O ATOM 616 NE2 GLN A 42 11.543 -2.853 -4.449 1.00 0.84 N ATOM 0 H GLN A 42 10.411 -0.174 -2.649 1.00 0.45 H new ATOM 0 HA GLN A 42 8.021 0.368 -4.102 1.00 0.39 H new ATOM 0 HB2 GLN A 42 8.186 -1.565 -5.230 1.00 0.43 H new ATOM 0 HB3 GLN A 42 9.858 -1.173 -4.884 1.00 0.43 H new ATOM 0 HG2 GLN A 42 8.637 -3.019 -2.916 1.00 0.44 H new ATOM 0 HG3 GLN A 42 8.665 -3.644 -4.553 1.00 0.44 H new ATOM 0 HE21 GLN A 42 11.313 -2.149 -5.151 1.00 0.84 H new ATOM 0 HE22 GLN A 42 12.508 -3.164 -4.336 1.00 0.84 H new ATOM 625 N ALA A 43 6.152 -0.921 -2.975 1.00 0.34 N ATOM 626 CA ALA A 43 5.063 -1.726 -2.438 1.00 0.31 C ATOM 627 C ALA A 43 4.556 -2.690 -3.517 1.00 0.40 C ATOM 628 O ALA A 43 4.665 -2.411 -4.714 1.00 0.71 O ATOM 629 CB ALA A 43 3.970 -0.787 -1.911 1.00 0.37 C ATOM 0 H ALA A 43 5.867 -0.346 -3.768 1.00 0.34 H new ATOM 0 HA ALA A 43 5.401 -2.340 -1.603 1.00 0.31 H new ATOM 0 HB1 ALA A 43 3.148 -1.377 -1.506 1.00 0.37 H new ATOM 0 HB2 ALA A 43 4.383 -0.153 -1.127 1.00 0.37 H new ATOM 0 HB3 ALA A 43 3.602 -0.164 -2.726 1.00 0.37 H new ATOM 635 N VAL A 44 3.997 -3.822 -3.093 1.00 0.36 N ATOM 636 CA VAL A 44 3.349 -4.780 -3.993 1.00 0.36 C ATOM 637 C VAL A 44 2.164 -5.440 -3.309 1.00 0.43 C ATOM 638 O VAL A 44 2.304 -6.015 -2.228 1.00 0.49 O ATOM 639 CB VAL A 44 4.334 -5.814 -4.585 1.00 0.48 C ATOM 640 CG1 VAL A 44 5.209 -6.518 -3.535 1.00 0.61 C ATOM 641 CG2 VAL A 44 3.612 -6.864 -5.447 1.00 0.54 C ATOM 0 H VAL A 44 3.980 -4.103 -2.113 1.00 0.36 H new ATOM 0 HA VAL A 44 2.974 -4.216 -4.847 1.00 0.36 H new ATOM 0 HB VAL A 44 5.003 -5.227 -5.214 1.00 0.48 H new ATOM 0 HG11 VAL A 44 5.872 -7.227 -4.030 1.00 0.61 H new ATOM 0 HG12 VAL A 44 5.804 -5.777 -3.001 1.00 0.61 H new ATOM 0 HG13 VAL A 44 4.572 -7.050 -2.828 1.00 0.61 H new ATOM 0 HG21 VAL A 44 4.340 -7.572 -5.844 1.00 0.54 H new ATOM 0 HG22 VAL A 44 2.883 -7.397 -4.837 1.00 0.54 H new ATOM 0 HG23 VAL A 44 3.101 -6.368 -6.272 1.00 0.54 H new ATOM 651 N VAL A 45 0.991 -5.349 -3.943 1.00 0.59 N ATOM 652 CA VAL A 45 -0.251 -5.917 -3.396 1.00 0.66 C ATOM 653 C VAL A 45 -1.221 -6.271 -4.527 1.00 0.69 C ATOM 654 O VAL A 45 -1.465 -5.466 -5.422 1.00 0.68 O ATOM 655 CB VAL A 45 -0.972 -4.971 -2.389 1.00 0.66 C ATOM 656 CG1 VAL A 45 -2.046 -5.658 -1.535 1.00 0.90 C ATOM 657 CG2 VAL A 45 -0.074 -4.160 -1.431 1.00 0.93 C ATOM 0 H VAL A 45 0.873 -4.884 -4.843 1.00 0.59 H new ATOM 0 HA VAL A 45 0.045 -6.813 -2.850 1.00 0.66 H new ATOM 0 HB VAL A 45 -1.427 -4.272 -3.091 1.00 0.66 H new ATOM 0 HG11 VAL A 45 -2.497 -4.929 -0.862 1.00 0.90 H new ATOM 0 HG12 VAL A 45 -2.815 -6.077 -2.185 1.00 0.90 H new ATOM 0 HG13 VAL A 45 -1.590 -6.457 -0.951 1.00 0.90 H new ATOM 0 HG21 VAL A 45 -0.697 -3.543 -0.784 1.00 0.93 H new ATOM 0 HG22 VAL A 45 0.518 -4.843 -0.822 1.00 0.93 H new ATOM 0 HG23 VAL A 45 0.592 -3.521 -2.010 1.00 0.93 H new ATOM 667 N SER A 46 -1.809 -7.468 -4.477 1.00 0.84 N ATOM 668 CA SER A 46 -3.128 -7.707 -5.094 1.00 0.87 C ATOM 669 C SER A 46 -4.183 -7.645 -3.992 1.00 0.80 C ATOM 670 O SER A 46 -4.245 -8.521 -3.136 1.00 0.95 O ATOM 671 CB SER A 46 -3.196 -9.046 -5.841 1.00 1.11 C ATOM 672 OG SER A 46 -4.533 -9.473 -6.026 1.00 1.82 O ATOM 0 H SER A 46 -1.402 -8.285 -4.021 1.00 0.84 H new ATOM 0 HA SER A 46 -3.310 -6.938 -5.844 1.00 0.87 H new ATOM 0 HB2 SER A 46 -2.708 -8.947 -6.810 1.00 1.11 H new ATOM 0 HB3 SER A 46 -2.646 -9.803 -5.282 1.00 1.11 H new ATOM 0 HG SER A 46 -4.540 -10.327 -6.506 1.00 1.82 H new ATOM 678 N TYR A 47 -5.005 -6.597 -4.020 1.00 0.85 N ATOM 679 CA TYR A 47 -5.849 -6.193 -2.895 1.00 0.87 C ATOM 680 C TYR A 47 -7.324 -6.647 -3.016 1.00 0.95 C ATOM 681 O TYR A 47 -8.126 -6.369 -2.127 1.00 1.75 O ATOM 682 CB TYR A 47 -5.889 -4.652 -2.825 1.00 1.54 C ATOM 683 CG TYR A 47 -4.640 -3.780 -2.958 1.00 1.18 C ATOM 684 CD1 TYR A 47 -3.927 -3.673 -4.173 1.00 2.86 C ATOM 685 CD2 TYR A 47 -4.297 -2.918 -1.898 1.00 2.03 C ATOM 686 CE1 TYR A 47 -2.888 -2.735 -4.325 1.00 2.91 C ATOM 687 CE2 TYR A 47 -3.227 -2.010 -2.022 1.00 2.27 C ATOM 688 CZ TYR A 47 -2.511 -1.923 -3.233 1.00 1.63 C ATOM 689 OH TYR A 47 -1.452 -1.078 -3.343 1.00 2.04 O ATOM 0 H TYR A 47 -5.105 -5.995 -4.837 1.00 0.85 H new ATOM 0 HA TYR A 47 -5.408 -6.664 -2.016 1.00 0.87 H new ATOM 0 HB2 TYR A 47 -6.579 -4.325 -3.603 1.00 1.54 H new ATOM 0 HB3 TYR A 47 -6.344 -4.397 -1.868 1.00 1.54 H new ATOM 0 HD1 TYR A 47 -4.183 -4.321 -4.998 1.00 2.86 H new ATOM 0 HD2 TYR A 47 -4.862 -2.954 -0.978 1.00 2.03 H new ATOM 0 HE1 TYR A 47 -2.381 -2.637 -5.274 1.00 2.91 H new ATOM 0 HE2 TYR A 47 -2.955 -1.380 -1.188 1.00 2.27 H new ATOM 0 HH TYR A 47 -1.331 -0.593 -2.500 1.00 2.04 H new ATOM 699 N HIS A 48 -7.715 -7.219 -4.163 1.00 0.77 N ATOM 700 CA HIS A 48 -9.067 -7.031 -4.711 1.00 0.94 C ATOM 701 C HIS A 48 -9.855 -8.336 -4.925 1.00 1.14 C ATOM 702 O HIS A 48 -9.362 -9.264 -5.578 1.00 1.38 O ATOM 703 CB HIS A 48 -8.964 -6.304 -6.065 1.00 1.11 C ATOM 704 CG HIS A 48 -7.965 -5.184 -6.134 1.00 1.13 C ATOM 705 ND1 HIS A 48 -8.196 -3.862 -5.763 1.00 1.09 N ATOM 706 CD2 HIS A 48 -6.686 -5.304 -6.591 1.00 1.40 C ATOM 707 CE1 HIS A 48 -7.056 -3.201 -6.017 1.00 1.17 C ATOM 708 NE2 HIS A 48 -6.143 -4.040 -6.547 1.00 1.48 N ATOM 0 H HIS A 48 -7.114 -7.817 -4.731 1.00 0.77 H new ATOM 0 HA HIS A 48 -9.613 -6.451 -3.967 1.00 0.94 H new ATOM 0 HB2 HIS A 48 -8.712 -7.037 -6.831 1.00 1.11 H new ATOM 0 HB3 HIS A 48 -9.946 -5.905 -6.317 1.00 1.11 H new ATOM 0 HD1 HIS A 48 -9.057 -3.475 -5.377 1.00 1.09 H new ATOM 0 HD2 HIS A 48 -6.197 -6.209 -6.921 1.00 1.40 H new ATOM 0 HE1 HIS A 48 -6.894 -2.151 -5.825 1.00 1.17 H new ATOM 716 N GLY A 49 -11.116 -8.348 -4.478 1.00 1.40 N ATOM 717 CA GLY A 49 -12.096 -9.415 -4.724 1.00 1.80 C ATOM 718 C GLY A 49 -13.517 -8.871 -4.850 1.00 2.09 C ATOM 719 O GLY A 49 -14.285 -8.969 -3.901 1.00 3.75 O ATOM 0 H GLY A 49 -11.497 -7.588 -3.914 1.00 1.40 H new ATOM 0 HA2 GLY A 49 -11.830 -9.948 -5.637 1.00 1.80 H new ATOM 0 HA3 GLY A 49 -12.056 -10.138 -3.910 1.00 1.80 H new ATOM 723 N GLU A 50 -13.837 -8.295 -6.013 1.00 1.60 N ATOM 724 CA GLU A 50 -15.174 -7.815 -6.394 1.00 1.88 C ATOM 725 C GLU A 50 -15.686 -6.683 -5.477 1.00 2.71 C ATOM 726 O GLU A 50 -16.706 -6.809 -4.799 1.00 4.49 O ATOM 727 CB GLU A 50 -16.153 -9.002 -6.542 1.00 2.63 C ATOM 728 CG GLU A 50 -17.311 -8.708 -7.507 1.00 3.56 C ATOM 729 CD GLU A 50 -16.783 -8.413 -8.912 1.00 5.18 C ATOM 730 OE1 GLU A 50 -16.213 -9.346 -9.519 1.00 6.27 O ATOM 731 OE2 GLU A 50 -16.866 -7.233 -9.319 1.00 6.02 O ATOM 0 H GLU A 50 -13.145 -8.143 -6.747 1.00 1.60 H new ATOM 0 HA GLU A 50 -15.102 -7.347 -7.376 1.00 1.88 H new ATOM 0 HB2 GLU A 50 -15.605 -9.876 -6.896 1.00 2.63 H new ATOM 0 HB3 GLU A 50 -16.559 -9.255 -5.563 1.00 2.63 H new ATOM 0 HG2 GLU A 50 -17.989 -9.561 -7.540 1.00 3.56 H new ATOM 0 HG3 GLU A 50 -17.887 -7.857 -7.143 1.00 3.56 H new ATOM 738 N THR A 51 -14.935 -5.570 -5.425 1.00 2.32 N ATOM 739 CA THR A 51 -15.161 -4.364 -4.599 1.00 3.34 C ATOM 740 C THR A 51 -14.188 -3.260 -5.032 1.00 2.61 C ATOM 741 O THR A 51 -13.211 -3.526 -5.730 1.00 2.54 O ATOM 742 CB THR A 51 -15.121 -4.709 -3.093 1.00 4.75 C ATOM 743 OG1 THR A 51 -16.389 -5.208 -2.760 1.00 5.66 O ATOM 744 CG2 THR A 51 -14.903 -3.549 -2.118 1.00 5.68 C ATOM 0 H THR A 51 -14.095 -5.479 -5.997 1.00 2.32 H new ATOM 0 HA THR A 51 -16.164 -3.971 -4.764 1.00 3.34 H new ATOM 0 HB THR A 51 -14.272 -5.383 -2.985 1.00 4.75 H new ATOM 0 HG1 THR A 51 -16.563 -6.026 -3.271 1.00 5.66 H new ATOM 0 HG21 THR A 51 -14.896 -3.929 -1.096 1.00 5.68 H new ATOM 0 HG22 THR A 51 -13.949 -3.068 -2.333 1.00 5.68 H new ATOM 0 HG23 THR A 51 -15.709 -2.823 -2.230 1.00 5.68 H new ATOM 752 N THR A 52 -14.487 -2.011 -4.654 1.00 3.29 N ATOM 753 CA THR A 52 -13.835 -0.755 -5.068 1.00 3.18 C ATOM 754 C THR A 52 -12.301 -0.767 -4.915 1.00 1.81 C ATOM 755 O THR A 52 -11.816 -0.660 -3.785 1.00 3.30 O ATOM 756 CB THR A 52 -14.422 0.415 -4.265 1.00 5.43 C ATOM 757 OG1 THR A 52 -14.407 0.071 -2.900 1.00 6.66 O ATOM 758 CG2 THR A 52 -15.864 0.730 -4.657 1.00 6.76 C ATOM 0 H THR A 52 -15.250 -1.835 -4.000 1.00 3.29 H new ATOM 0 HA THR A 52 -14.036 -0.640 -6.133 1.00 3.18 H new ATOM 0 HB THR A 52 -13.815 1.296 -4.474 1.00 5.43 H new ATOM 0 HG1 THR A 52 -13.524 -0.279 -2.661 1.00 6.66 H new ATOM 0 HG21 THR A 52 -16.230 1.565 -4.059 1.00 6.76 H new ATOM 0 HG22 THR A 52 -15.904 0.996 -5.713 1.00 6.76 H new ATOM 0 HG23 THR A 52 -16.489 -0.145 -4.479 1.00 6.76 H new ATOM 766 N PRO A 53 -11.524 -0.781 -6.019 1.00 1.31 N ATOM 767 CA PRO A 53 -10.066 -0.888 -5.971 1.00 2.59 C ATOM 768 C PRO A 53 -9.360 0.389 -5.488 1.00 1.90 C ATOM 769 O PRO A 53 -8.194 0.318 -5.118 1.00 1.85 O ATOM 770 CB PRO A 53 -9.645 -1.252 -7.400 1.00 4.68 C ATOM 771 CG PRO A 53 -10.727 -0.612 -8.261 1.00 4.91 C ATOM 772 CD PRO A 53 -11.978 -0.797 -7.404 1.00 3.19 C ATOM 0 HA PRO A 53 -9.770 -1.639 -5.238 1.00 2.59 H new ATOM 0 HB2 PRO A 53 -8.657 -0.860 -7.640 1.00 4.68 H new ATOM 0 HB3 PRO A 53 -9.603 -2.332 -7.544 1.00 4.68 H new ATOM 0 HG2 PRO A 53 -10.521 0.440 -8.457 1.00 4.91 H new ATOM 0 HG3 PRO A 53 -10.821 -1.105 -9.229 1.00 4.91 H new ATOM 0 HD2 PRO A 53 -12.698 0.001 -7.588 1.00 3.19 H new ATOM 0 HD3 PRO A 53 -12.477 -1.737 -7.640 1.00 3.19 H new ATOM 780 N GLN A 54 -10.041 1.543 -5.446 1.00 1.61 N ATOM 781 CA GLN A 54 -9.489 2.833 -4.997 1.00 1.17 C ATOM 782 C GLN A 54 -8.899 2.822 -3.581 1.00 1.04 C ATOM 783 O GLN A 54 -8.117 3.705 -3.240 1.00 0.93 O ATOM 784 CB GLN A 54 -10.571 3.909 -5.121 1.00 1.49 C ATOM 785 CG GLN A 54 -11.704 3.762 -4.092 1.00 3.26 C ATOM 786 CD GLN A 54 -12.877 4.631 -4.502 1.00 3.96 C ATOM 787 OE1 GLN A 54 -13.806 4.171 -5.143 1.00 4.44 O ATOM 788 NE2 GLN A 54 -12.840 5.918 -4.230 1.00 4.50 N ATOM 0 H GLN A 54 -11.018 1.609 -5.731 1.00 1.61 H new ATOM 0 HA GLN A 54 -8.643 3.051 -5.649 1.00 1.17 H new ATOM 0 HB2 GLN A 54 -10.111 4.890 -5.005 1.00 1.49 H new ATOM 0 HB3 GLN A 54 -10.995 3.872 -6.124 1.00 1.49 H new ATOM 0 HG2 GLN A 54 -12.016 2.720 -4.025 1.00 3.26 H new ATOM 0 HG3 GLN A 54 -11.351 4.053 -3.103 1.00 3.26 H new ATOM 0 HE21 GLN A 54 -12.063 6.304 -3.694 1.00 4.50 H new ATOM 0 HE22 GLN A 54 -13.588 6.530 -4.556 1.00 4.50 H new ATOM 797 N ILE A 55 -9.228 1.822 -2.758 1.00 1.26 N ATOM 798 CA ILE A 55 -8.650 1.639 -1.417 1.00 1.21 C ATOM 799 C ILE A 55 -7.122 1.438 -1.491 1.00 1.11 C ATOM 800 O ILE A 55 -6.424 1.808 -0.550 1.00 1.07 O ATOM 801 CB ILE A 55 -9.394 0.496 -0.677 1.00 1.57 C ATOM 802 CG1 ILE A 55 -10.927 0.740 -0.628 1.00 1.86 C ATOM 803 CG2 ILE A 55 -8.856 0.359 0.761 1.00 1.53 C ATOM 804 CD1 ILE A 55 -11.746 -0.487 -0.199 1.00 3.11 C ATOM 0 H ILE A 55 -9.912 1.106 -3.004 1.00 1.26 H new ATOM 0 HA ILE A 55 -8.794 2.545 -0.829 1.00 1.21 H new ATOM 0 HB ILE A 55 -9.213 -0.423 -1.234 1.00 1.57 H new ATOM 0 HG12 ILE A 55 -11.132 1.559 0.062 1.00 1.86 H new ATOM 0 HG13 ILE A 55 -11.264 1.062 -1.613 1.00 1.86 H new ATOM 0 HG21 ILE A 55 -9.384 -0.446 1.272 1.00 1.53 H new ATOM 0 HG22 ILE A 55 -7.790 0.131 0.731 1.00 1.53 H new ATOM 0 HG23 ILE A 55 -9.012 1.294 1.299 1.00 1.53 H new ATOM 0 HD11 ILE A 55 -12.806 -0.232 -0.191 1.00 3.11 H new ATOM 0 HD12 ILE A 55 -11.574 -1.303 -0.901 1.00 3.11 H new ATOM 0 HD13 ILE A 55 -11.440 -0.798 0.800 1.00 3.11 H new ATOM 816 N LEU A 56 -6.581 0.986 -2.638 1.00 1.21 N ATOM 817 CA LEU A 56 -5.134 0.953 -2.921 1.00 1.30 C ATOM 818 C LEU A 56 -4.456 2.320 -2.750 1.00 1.07 C ATOM 819 O LEU A 56 -3.251 2.375 -2.522 1.00 1.31 O ATOM 820 CB LEU A 56 -4.879 0.338 -4.324 1.00 1.57 C ATOM 821 CG LEU A 56 -5.142 1.214 -5.576 1.00 1.44 C ATOM 822 CD1 LEU A 56 -3.957 2.132 -5.939 1.00 1.59 C ATOM 823 CD2 LEU A 56 -5.368 0.317 -6.805 1.00 1.92 C ATOM 0 H LEU A 56 -7.147 0.627 -3.407 1.00 1.21 H new ATOM 0 HA LEU A 56 -4.667 0.310 -2.175 1.00 1.30 H new ATOM 0 HB2 LEU A 56 -3.839 0.013 -4.359 1.00 1.57 H new ATOM 0 HB3 LEU A 56 -5.495 -0.557 -4.410 1.00 1.57 H new ATOM 0 HG LEU A 56 -6.012 1.822 -5.327 1.00 1.44 H new ATOM 0 HD11 LEU A 56 -4.208 2.717 -6.824 1.00 1.59 H new ATOM 0 HD12 LEU A 56 -3.749 2.804 -5.107 1.00 1.59 H new ATOM 0 HD13 LEU A 56 -3.075 1.524 -6.144 1.00 1.59 H new ATOM 0 HD21 LEU A 56 -5.552 0.939 -7.681 1.00 1.92 H new ATOM 0 HD22 LEU A 56 -4.483 -0.296 -6.975 1.00 1.92 H new ATOM 0 HD23 LEU A 56 -6.229 -0.328 -6.631 1.00 1.92 H new ATOM 835 N THR A 57 -5.227 3.405 -2.905 1.00 0.79 N ATOM 836 CA THR A 57 -4.800 4.793 -2.673 1.00 0.81 C ATOM 837 C THR A 57 -5.097 5.207 -1.242 1.00 0.69 C ATOM 838 O THR A 57 -4.163 5.551 -0.522 1.00 0.71 O ATOM 839 CB THR A 57 -5.456 5.747 -3.678 1.00 1.05 C ATOM 840 OG1 THR A 57 -5.167 5.265 -4.966 1.00 1.45 O ATOM 841 CG2 THR A 57 -4.901 7.166 -3.579 1.00 1.79 C ATOM 0 H THR A 57 -6.199 3.339 -3.206 1.00 0.79 H new ATOM 0 HA THR A 57 -3.722 4.851 -2.825 1.00 0.81 H new ATOM 0 HB THR A 57 -6.525 5.785 -3.468 1.00 1.05 H new ATOM 0 HG1 THR A 57 -5.575 5.854 -5.635 1.00 1.45 H new ATOM 0 HG21 THR A 57 -5.398 7.803 -4.311 1.00 1.79 H new ATOM 0 HG22 THR A 57 -5.079 7.557 -2.577 1.00 1.79 H new ATOM 0 HG23 THR A 57 -3.829 7.152 -3.778 1.00 1.79 H new ATOM 849 N ASP A 58 -6.359 5.144 -0.810 1.00 0.66 N ATOM 850 CA ASP A 58 -6.801 5.624 0.516 1.00 0.71 C ATOM 851 C ASP A 58 -5.895 5.129 1.659 1.00 0.63 C ATOM 852 O ASP A 58 -5.382 5.920 2.457 1.00 0.62 O ATOM 853 CB ASP A 58 -8.253 5.182 0.753 1.00 0.80 C ATOM 854 CG ASP A 58 -8.804 5.709 2.082 1.00 1.33 C ATOM 855 OD1 ASP A 58 -9.276 6.867 2.088 1.00 2.00 O ATOM 856 OD2 ASP A 58 -8.763 4.939 3.069 1.00 2.71 O ATOM 0 H ASP A 58 -7.116 4.755 -1.372 1.00 0.66 H new ATOM 0 HA ASP A 58 -6.734 6.712 0.517 1.00 0.71 H new ATOM 0 HB2 ASP A 58 -8.879 5.538 -0.065 1.00 0.80 H new ATOM 0 HB3 ASP A 58 -8.306 4.093 0.745 1.00 0.80 H new ATOM 861 N ALA A 59 -5.573 3.832 1.657 1.00 0.62 N ATOM 862 CA ALA A 59 -4.736 3.208 2.675 1.00 0.63 C ATOM 863 C ALA A 59 -3.228 3.511 2.585 1.00 0.62 C ATOM 864 O ALA A 59 -2.474 3.037 3.434 1.00 0.78 O ATOM 865 CB ALA A 59 -5.051 1.713 2.695 1.00 0.79 C ATOM 0 H ALA A 59 -5.892 3.182 0.938 1.00 0.62 H new ATOM 0 HA ALA A 59 -4.992 3.663 3.632 1.00 0.63 H new ATOM 0 HB1 ALA A 59 -4.437 1.222 3.450 1.00 0.79 H new ATOM 0 HB2 ALA A 59 -6.105 1.566 2.933 1.00 0.79 H new ATOM 0 HB3 ALA A 59 -4.837 1.283 1.717 1.00 0.79 H new ATOM 871 N VAL A 60 -2.806 4.329 1.622 1.00 0.58 N ATOM 872 CA VAL A 60 -1.480 4.969 1.539 1.00 0.54 C ATOM 873 C VAL A 60 -1.560 6.463 1.906 1.00 0.51 C ATOM 874 O VAL A 60 -0.655 6.968 2.569 1.00 0.57 O ATOM 875 CB VAL A 60 -0.878 4.765 0.128 1.00 0.66 C ATOM 876 CG1 VAL A 60 0.538 5.344 0.007 1.00 1.63 C ATOM 877 CG2 VAL A 60 -0.804 3.270 -0.240 1.00 2.08 C ATOM 0 H VAL A 60 -3.405 4.580 0.835 1.00 0.58 H new ATOM 0 HA VAL A 60 -0.819 4.494 2.264 1.00 0.54 H new ATOM 0 HB VAL A 60 -1.545 5.293 -0.553 1.00 0.66 H new ATOM 0 HG11 VAL A 60 0.915 5.175 -1.002 1.00 1.63 H new ATOM 0 HG12 VAL A 60 0.512 6.415 0.210 1.00 1.63 H new ATOM 0 HG13 VAL A 60 1.194 4.854 0.727 1.00 1.63 H new ATOM 0 HG21 VAL A 60 -0.377 3.161 -1.237 1.00 2.08 H new ATOM 0 HG22 VAL A 60 -0.177 2.748 0.483 1.00 2.08 H new ATOM 0 HG23 VAL A 60 -1.806 2.842 -0.226 1.00 2.08 H new ATOM 887 N GLU A 61 -2.666 7.148 1.591 1.00 0.51 N ATOM 888 CA GLU A 61 -2.912 8.549 1.978 1.00 0.58 C ATOM 889 C GLU A 61 -2.938 8.697 3.511 1.00 0.62 C ATOM 890 O GLU A 61 -2.253 9.558 4.066 1.00 0.79 O ATOM 891 CB GLU A 61 -4.236 9.049 1.370 1.00 0.66 C ATOM 892 CG GLU A 61 -4.260 9.088 -0.167 1.00 1.37 C ATOM 893 CD GLU A 61 -3.309 10.116 -0.778 1.00 1.22 C ATOM 894 OE1 GLU A 61 -3.152 11.211 -0.189 1.00 2.00 O ATOM 895 OE2 GLU A 61 -2.752 9.841 -1.869 1.00 2.24 O ATOM 0 H GLU A 61 -3.430 6.741 1.051 1.00 0.51 H new ATOM 0 HA GLU A 61 -2.096 9.158 1.589 1.00 0.58 H new ATOM 0 HB2 GLU A 61 -5.045 8.407 1.717 1.00 0.66 H new ATOM 0 HB3 GLU A 61 -4.439 10.051 1.749 1.00 0.66 H new ATOM 0 HG2 GLU A 61 -4.004 8.100 -0.549 1.00 1.37 H new ATOM 0 HG3 GLU A 61 -5.275 9.305 -0.499 1.00 1.37 H new ATOM 902 N ARG A 62 -3.603 7.763 4.211 1.00 0.61 N ATOM 903 CA ARG A 62 -3.630 7.616 5.684 1.00 0.73 C ATOM 904 C ARG A 62 -2.266 7.628 6.390 1.00 0.61 C ATOM 905 O ARG A 62 -2.223 7.585 7.623 1.00 0.67 O ATOM 906 CB ARG A 62 -4.365 6.309 6.055 1.00 0.89 C ATOM 907 CG ARG A 62 -3.664 5.021 5.578 1.00 1.34 C ATOM 908 CD ARG A 62 -2.411 4.495 6.313 1.00 1.14 C ATOM 909 NE ARG A 62 -2.726 3.566 7.398 1.00 1.43 N ATOM 910 CZ ARG A 62 -2.860 3.848 8.684 1.00 1.11 C ATOM 911 NH1 ARG A 62 -2.822 5.075 9.171 1.00 1.63 N ATOM 912 NH2 ARG A 62 -3.009 2.841 9.508 1.00 1.78 N ATOM 0 H ARG A 62 -4.166 7.052 3.745 1.00 0.61 H new ATOM 0 HA ARG A 62 -4.149 8.506 6.039 1.00 0.73 H new ATOM 0 HB2 ARG A 62 -4.478 6.266 7.138 1.00 0.89 H new ATOM 0 HB3 ARG A 62 -5.369 6.339 5.631 1.00 0.89 H new ATOM 0 HG2 ARG A 62 -4.407 4.224 5.597 1.00 1.34 H new ATOM 0 HG3 ARG A 62 -3.386 5.173 4.535 1.00 1.34 H new ATOM 0 HD2 ARG A 62 -1.759 3.997 5.595 1.00 1.14 H new ATOM 0 HD3 ARG A 62 -1.854 5.340 6.717 1.00 1.14 H new ATOM 0 HE ARG A 62 -2.857 2.590 7.133 1.00 1.43 H new ATOM 0 HH11 ARG A 62 -2.683 5.868 8.545 1.00 1.63 H new ATOM 0 HH12 ARG A 62 -2.932 5.230 10.173 1.00 1.63 H new ATOM 0 HH21 ARG A 62 -3.018 1.886 9.150 1.00 1.78 H new ATOM 0 HH22 ARG A 62 -3.116 3.012 10.508 1.00 1.78 H new ATOM 926 N ALA A 63 -1.163 7.477 5.655 1.00 0.55 N ATOM 927 CA ALA A 63 0.205 7.467 6.175 1.00 0.62 C ATOM 928 C ALA A 63 0.931 8.814 5.994 1.00 0.73 C ATOM 929 O ALA A 63 2.023 8.971 6.535 1.00 0.88 O ATOM 930 CB ALA A 63 0.952 6.334 5.461 1.00 0.67 C ATOM 0 H ALA A 63 -1.200 7.354 4.643 1.00 0.55 H new ATOM 0 HA ALA A 63 0.178 7.304 7.252 1.00 0.62 H new ATOM 0 HB1 ALA A 63 1.980 6.292 5.821 1.00 0.67 H new ATOM 0 HB2 ALA A 63 0.456 5.385 5.667 1.00 0.67 H new ATOM 0 HB3 ALA A 63 0.951 6.518 4.387 1.00 0.67 H new ATOM 936 N GLY A 64 0.349 9.747 5.226 1.00 0.73 N ATOM 937 CA GLY A 64 1.007 10.944 4.700 1.00 0.87 C ATOM 938 C GLY A 64 1.668 10.678 3.347 1.00 0.82 C ATOM 939 O GLY A 64 2.380 11.536 2.831 1.00 0.94 O ATOM 0 H GLY A 64 -0.630 9.683 4.946 1.00 0.73 H new ATOM 0 HA2 GLY A 64 0.276 11.745 4.596 1.00 0.87 H new ATOM 0 HA3 GLY A 64 1.758 11.288 5.411 1.00 0.87 H new ATOM 943 N TYR A 65 1.481 9.476 2.785 1.00 0.71 N ATOM 944 CA TYR A 65 2.247 8.954 1.656 1.00 0.71 C ATOM 945 C TYR A 65 1.402 8.855 0.378 1.00 0.69 C ATOM 946 O TYR A 65 0.179 8.956 0.423 1.00 0.91 O ATOM 947 CB TYR A 65 2.904 7.623 2.082 1.00 0.75 C ATOM 948 CG TYR A 65 3.853 7.712 3.278 1.00 0.85 C ATOM 949 CD1 TYR A 65 4.444 8.938 3.653 1.00 1.71 C ATOM 950 CD2 TYR A 65 4.134 6.560 4.045 1.00 1.98 C ATOM 951 CE1 TYR A 65 5.234 9.032 4.805 1.00 1.86 C ATOM 952 CE2 TYR A 65 4.947 6.641 5.196 1.00 2.05 C ATOM 953 CZ TYR A 65 5.489 7.889 5.582 1.00 1.24 C ATOM 954 OH TYR A 65 6.275 8.035 6.679 1.00 1.48 O ATOM 0 H TYR A 65 0.770 8.824 3.117 1.00 0.71 H new ATOM 0 HA TYR A 65 3.042 9.651 1.391 1.00 0.71 H new ATOM 0 HB2 TYR A 65 2.116 6.908 2.318 1.00 0.75 H new ATOM 0 HB3 TYR A 65 3.455 7.221 1.232 1.00 0.75 H new ATOM 0 HD1 TYR A 65 4.285 9.815 3.043 1.00 1.71 H new ATOM 0 HD2 TYR A 65 3.722 5.607 3.748 1.00 1.98 H new ATOM 0 HE1 TYR A 65 5.649 9.985 5.097 1.00 1.86 H new ATOM 0 HE2 TYR A 65 5.154 5.755 5.778 1.00 2.05 H new ATOM 0 HH TYR A 65 6.092 7.309 7.312 1.00 1.48 H new ATOM 964 N HIS A 66 2.052 8.719 -0.785 1.00 0.62 N ATOM 965 CA HIS A 66 1.412 8.803 -2.109 1.00 0.60 C ATOM 966 C HIS A 66 1.970 7.739 -3.058 1.00 0.64 C ATOM 967 O HIS A 66 3.129 7.346 -2.955 1.00 0.85 O ATOM 968 CB HIS A 66 1.634 10.218 -2.693 1.00 0.70 C ATOM 969 CG HIS A 66 0.565 11.211 -2.301 1.00 0.76 C ATOM 970 ND1 HIS A 66 -0.490 11.606 -3.103 1.00 1.96 N ATOM 971 CD2 HIS A 66 0.320 11.683 -1.041 1.00 1.66 C ATOM 972 CE1 HIS A 66 -1.364 12.279 -2.339 1.00 1.86 C ATOM 973 NE2 HIS A 66 -0.910 12.311 -1.074 1.00 1.38 N ATOM 0 H HIS A 66 3.056 8.544 -0.836 1.00 0.62 H new ATOM 0 HA HIS A 66 0.344 8.618 -1.997 1.00 0.60 H new ATOM 0 HB2 HIS A 66 2.603 10.591 -2.361 1.00 0.70 H new ATOM 0 HB3 HIS A 66 1.674 10.151 -3.780 1.00 0.70 H new ATOM 0 HD2 HIS A 66 0.967 11.583 -0.182 1.00 1.66 H new ATOM 0 HE1 HIS A 66 -2.285 12.724 -2.685 1.00 1.86 H new ATOM 0 HE2 HIS A 66 -1.391 12.727 -0.276 1.00 1.38 H new ATOM 982 N ALA A 67 1.178 7.317 -4.044 1.00 0.59 N ATOM 983 CA ALA A 67 1.556 6.274 -5.009 1.00 0.65 C ATOM 984 C ALA A 67 2.537 6.767 -6.104 1.00 0.74 C ATOM 985 O ALA A 67 2.141 7.395 -7.090 1.00 1.09 O ATOM 986 CB ALA A 67 0.258 5.722 -5.616 1.00 0.84 C ATOM 0 H ALA A 67 0.243 7.692 -4.200 1.00 0.59 H new ATOM 0 HA ALA A 67 2.107 5.491 -4.487 1.00 0.65 H new ATOM 0 HB1 ALA A 67 0.497 4.943 -6.340 1.00 0.84 H new ATOM 0 HB2 ALA A 67 -0.364 5.304 -4.825 1.00 0.84 H new ATOM 0 HB3 ALA A 67 -0.282 6.527 -6.115 1.00 0.84 H new ATOM 992 N ARG A 68 3.820 6.397 -6.005 1.00 0.83 N ATOM 993 CA ARG A 68 4.837 6.595 -7.055 1.00 1.01 C ATOM 994 C ARG A 68 4.735 5.479 -8.081 1.00 0.76 C ATOM 995 O ARG A 68 5.449 4.479 -8.120 1.00 0.94 O ATOM 996 CB ARG A 68 6.216 6.718 -6.429 1.00 1.30 C ATOM 997 CG ARG A 68 7.502 6.663 -7.292 1.00 1.40 C ATOM 998 CD ARG A 68 7.866 7.893 -8.121 1.00 1.87 C ATOM 999 NE ARG A 68 6.820 8.237 -9.095 1.00 2.71 N ATOM 1000 CZ ARG A 68 6.008 9.284 -9.028 1.00 4.08 C ATOM 1001 NH1 ARG A 68 6.023 10.142 -8.027 1.00 4.28 N ATOM 1002 NH2 ARG A 68 5.143 9.470 -10.005 1.00 5.91 N ATOM 0 H ARG A 68 4.193 5.940 -5.173 1.00 0.83 H new ATOM 0 HA ARG A 68 4.658 7.529 -7.587 1.00 1.01 H new ATOM 0 HB2 ARG A 68 6.236 7.665 -5.889 1.00 1.30 H new ATOM 0 HB3 ARG A 68 6.299 5.925 -5.685 1.00 1.30 H new ATOM 0 HG2 ARG A 68 8.340 6.448 -6.628 1.00 1.40 H new ATOM 0 HG3 ARG A 68 7.410 5.817 -7.973 1.00 1.40 H new ATOM 0 HD2 ARG A 68 8.033 8.740 -7.456 1.00 1.87 H new ATOM 0 HD3 ARG A 68 8.803 7.710 -8.647 1.00 1.87 H new ATOM 0 HE ARG A 68 6.708 7.614 -9.895 1.00 2.71 H new ATOM 0 HH11 ARG A 68 6.680 10.016 -7.257 1.00 4.28 H new ATOM 0 HH12 ARG A 68 5.377 10.932 -8.022 1.00 4.28 H new ATOM 0 HH21 ARG A 68 5.110 8.817 -10.788 1.00 5.91 H new ATOM 0 HH22 ARG A 68 4.507 10.267 -9.978 1.00 5.91 H new ATOM 1016 N VAL A 69 3.756 5.703 -8.925 1.00 1.01 N ATOM 1017 CA VAL A 69 3.515 4.891 -10.118 1.00 1.16 C ATOM 1018 C VAL A 69 4.721 4.997 -11.057 1.00 1.30 C ATOM 1019 O VAL A 69 5.214 6.096 -11.324 1.00 1.60 O ATOM 1020 CB VAL A 69 2.196 5.261 -10.841 1.00 1.86 C ATOM 1021 CG1 VAL A 69 1.968 4.388 -12.088 1.00 1.33 C ATOM 1022 CG2 VAL A 69 0.992 5.088 -9.899 1.00 3.56 C ATOM 0 H VAL A 69 3.087 6.465 -8.810 1.00 1.01 H new ATOM 0 HA VAL A 69 3.395 3.855 -9.801 1.00 1.16 H new ATOM 0 HB VAL A 69 2.286 6.304 -11.146 1.00 1.86 H new ATOM 0 HG11 VAL A 69 1.033 4.677 -12.568 1.00 1.33 H new ATOM 0 HG12 VAL A 69 2.793 4.528 -12.786 1.00 1.33 H new ATOM 0 HG13 VAL A 69 1.916 3.340 -11.794 1.00 1.33 H new ATOM 0 HG21 VAL A 69 0.076 5.353 -10.427 1.00 3.56 H new ATOM 0 HG22 VAL A 69 0.934 4.051 -9.570 1.00 3.56 H new ATOM 0 HG23 VAL A 69 1.112 5.738 -9.032 1.00 3.56 H new ATOM 1032 N LEU A 70 5.202 3.833 -11.511 1.00 1.35 N ATOM 1033 CA LEU A 70 6.378 3.683 -12.372 1.00 1.76 C ATOM 1034 C LEU A 70 6.200 2.555 -13.400 1.00 1.63 C ATOM 1035 O LEU A 70 5.563 1.544 -13.092 1.00 1.89 O ATOM 1036 CB LEU A 70 7.602 3.450 -11.461 1.00 2.01 C ATOM 1037 CG LEU A 70 7.643 2.080 -10.734 1.00 1.79 C ATOM 1038 CD1 LEU A 70 8.423 1.004 -11.513 1.00 1.76 C ATOM 1039 CD2 LEU A 70 8.308 2.231 -9.365 1.00 2.64 C ATOM 0 H LEU A 70 4.767 2.940 -11.280 1.00 1.35 H new ATOM 0 HA LEU A 70 6.523 4.589 -12.961 1.00 1.76 H new ATOM 0 HB2 LEU A 70 8.505 3.549 -12.063 1.00 2.01 H new ATOM 0 HB3 LEU A 70 7.630 4.241 -10.711 1.00 2.01 H new ATOM 0 HG LEU A 70 6.605 1.759 -10.644 1.00 1.79 H new ATOM 0 HD11 LEU A 70 8.414 0.070 -10.951 1.00 1.76 H new ATOM 0 HD12 LEU A 70 7.955 0.847 -12.485 1.00 1.76 H new ATOM 0 HD13 LEU A 70 9.453 1.332 -11.655 1.00 1.76 H new ATOM 0 HD21 LEU A 70 8.332 1.264 -8.863 1.00 2.64 H new ATOM 0 HD22 LEU A 70 9.326 2.598 -9.494 1.00 2.64 H new ATOM 0 HD23 LEU A 70 7.741 2.939 -8.761 1.00 2.64 H new ATOM 1051 N LYS A 71 6.823 2.697 -14.576 1.00 2.07 N ATOM 1052 CA LYS A 71 7.021 1.662 -15.608 1.00 2.23 C ATOM 1053 C LYS A 71 8.235 2.025 -16.498 1.00 2.46 C ATOM 1054 O LYS A 71 8.606 3.190 -16.597 1.00 3.12 O ATOM 1055 CB LYS A 71 5.755 1.475 -16.485 1.00 3.48 C ATOM 1056 CG LYS A 71 4.497 0.861 -15.834 1.00 4.57 C ATOM 1057 CD LYS A 71 4.686 -0.578 -15.306 1.00 5.80 C ATOM 1058 CE LYS A 71 3.565 -1.001 -14.337 1.00 7.07 C ATOM 1059 NZ LYS A 71 3.904 -0.692 -12.921 1.00 8.28 N ATOM 0 H LYS A 71 7.229 3.591 -14.853 1.00 2.07 H new ATOM 0 HA LYS A 71 7.213 0.718 -15.098 1.00 2.23 H new ATOM 0 HB2 LYS A 71 5.480 2.451 -16.884 1.00 3.48 H new ATOM 0 HB3 LYS A 71 6.029 0.849 -17.334 1.00 3.48 H new ATOM 0 HG2 LYS A 71 4.183 1.499 -15.008 1.00 4.57 H new ATOM 0 HG3 LYS A 71 3.688 0.863 -16.564 1.00 4.57 H new ATOM 0 HD2 LYS A 71 4.715 -1.270 -16.148 1.00 5.80 H new ATOM 0 HD3 LYS A 71 5.648 -0.652 -14.799 1.00 5.80 H new ATOM 0 HE2 LYS A 71 2.641 -0.491 -14.608 1.00 7.07 H new ATOM 0 HE3 LYS A 71 3.381 -2.070 -14.440 1.00 7.07 H new ATOM 0 HZ1 LYS A 71 3.028 -0.568 -12.374 1.00 8.28 H new ATOM 0 HZ2 LYS A 71 4.456 -1.475 -12.517 1.00 8.28 H new ATOM 0 HZ3 LYS A 71 4.464 0.183 -12.881 1.00 8.28 H new ATOM 1073 N GLN A 72 8.842 1.038 -17.158 1.00 2.67 N ATOM 1074 CA GLN A 72 9.901 1.236 -18.149 1.00 3.41 C ATOM 1075 C GLN A 72 9.620 0.288 -19.315 1.00 3.57 C ATOM 1076 O GLN A 72 9.306 -0.875 -19.073 1.00 4.20 O ATOM 1077 CB GLN A 72 11.281 0.908 -17.552 1.00 4.12 C ATOM 1078 CG GLN A 72 11.745 1.884 -16.461 1.00 4.67 C ATOM 1079 CD GLN A 72 13.188 1.587 -16.062 1.00 5.60 C ATOM 1080 OE1 GLN A 72 14.129 1.989 -16.720 1.00 6.27 O ATOM 1081 NE2 GLN A 72 13.437 0.840 -15.005 1.00 6.38 N ATOM 0 H GLN A 72 8.606 0.056 -17.015 1.00 2.67 H new ATOM 0 HA GLN A 72 9.912 2.276 -18.474 1.00 3.41 H new ATOM 0 HB2 GLN A 72 11.254 -0.099 -17.135 1.00 4.12 H new ATOM 0 HB3 GLN A 72 12.019 0.901 -18.354 1.00 4.12 H new ATOM 0 HG2 GLN A 72 11.664 2.909 -16.823 1.00 4.67 H new ATOM 0 HG3 GLN A 72 11.095 1.801 -15.590 1.00 4.67 H new ATOM 0 HE21 GLN A 72 12.667 0.489 -14.435 1.00 6.38 H new ATOM 0 HE22 GLN A 72 14.400 0.613 -14.757 1.00 6.38 H new ATOM 1090 N GLN A 73 9.736 0.788 -20.546 1.00 3.84 N ATOM 1091 CA GLN A 73 9.598 0.099 -21.832 1.00 4.14 C ATOM 1092 C GLN A 73 9.589 1.157 -22.947 1.00 4.89 C ATOM 1093 O GLN A 73 9.449 2.343 -22.657 1.00 5.58 O ATOM 1094 CB GLN A 73 8.353 -0.824 -21.909 1.00 4.64 C ATOM 1095 CG GLN A 73 8.716 -2.322 -21.921 1.00 5.38 C ATOM 1096 CD GLN A 73 9.494 -2.754 -23.163 1.00 6.36 C ATOM 1097 OE1 GLN A 73 9.942 -1.959 -23.974 1.00 6.68 O ATOM 1098 NE2 GLN A 73 9.698 -4.028 -23.384 1.00 7.48 N ATOM 0 H GLN A 73 9.948 1.776 -20.682 1.00 3.84 H new ATOM 0 HA GLN A 73 10.448 -0.572 -21.954 1.00 4.14 H new ATOM 0 HB2 GLN A 73 7.703 -0.620 -21.058 1.00 4.64 H new ATOM 0 HB3 GLN A 73 7.786 -0.586 -22.809 1.00 4.64 H new ATOM 0 HG2 GLN A 73 9.307 -2.551 -21.034 1.00 5.38 H new ATOM 0 HG3 GLN A 73 7.800 -2.910 -21.854 1.00 5.38 H new ATOM 0 HE21 GLN A 73 9.339 -4.723 -22.729 1.00 7.48 H new ATOM 0 HE22 GLN A 73 10.216 -4.326 -24.211 1.00 7.48 H new TER 1107 GLN A 73