USER MOD reduce.3.24.130724 H: found=0, std=0, add=529, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 526 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 142:sc= 0.048 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0.128 USER MOD Single : A 5 SER OG : rot 180:sc= -0.0909 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 ASN : amide:sc= -0.154 X(o=-0.15,f=-0.093) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 31 HIS : no HD1:sc= -0.128 X(o=-0.13,f=-0.27) USER MOD Single : A 33 MET CE :methyl -164:sc= -1.29 (180deg=-2.41) USER MOD Single : A 34 THR OG1 : rot -81:sc= 1.26 USER MOD Single : A 35 ASN : amide:sc= -0.0704 X(o=-0.07,f=-0.37) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0.0476 USER MOD Single : A 48 MET CE :methyl 180:sc= -0.0128 (180deg=-0.0128) USER MOD Single : A 59 GLN : amide:sc=-0.000917 K(o=-0.00092,f=-0.79) USER MOD Single : A 61 ASN : amide:sc= 0 X(o=0,f=-0.025) USER MOD Single : A 62 TYR OH : rot 180:sc= -1 USER MOD Single : A 67 GLN : amide:sc= -0.0481 X(o=-0.048,f=-0.32) USER MOD Single : A 68 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 69 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 70 THR OG1 : rot -68:sc= 0.11 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 10.049 -7.482 7.409 1.00 73.23 N ATOM 2 CA MET A 1 9.359 -6.416 6.692 1.00 74.00 C ATOM 3 C MET A 1 8.300 -6.988 5.754 1.00 11.05 C ATOM 4 O MET A 1 8.324 -8.174 5.426 1.00 61.13 O ATOM 5 CB MET A 1 10.360 -5.575 5.897 1.00 32.53 C ATOM 6 CG MET A 1 10.512 -4.156 6.420 1.00 31.21 C ATOM 7 SD MET A 1 11.298 -3.057 5.227 1.00 50.14 S ATOM 8 CE MET A 1 11.361 -1.531 6.162 1.00 2.13 C ATOM 0 H1 MET A 1 11.057 -7.243 7.501 1.00 73.23 H new ATOM 0 H2 MET A 1 9.631 -7.591 8.355 1.00 73.23 H new ATOM 0 H3 MET A 1 9.951 -8.374 6.883 1.00 73.23 H new ATOM 0 HA MET A 1 8.864 -5.780 7.426 1.00 74.00 H new ATOM 0 HB2 MET A 1 11.332 -6.067 5.917 1.00 32.53 H new ATOM 0 HB3 MET A 1 10.043 -5.537 4.855 1.00 32.53 H new ATOM 0 HG2 MET A 1 9.530 -3.761 6.679 1.00 31.21 H new ATOM 0 HG3 MET A 1 11.101 -4.172 7.337 1.00 31.21 H new ATOM 0 HE1 MET A 1 11.823 -0.752 5.556 1.00 2.13 H new ATOM 0 HE2 MET A 1 10.350 -1.228 6.433 1.00 2.13 H new ATOM 0 HE3 MET A 1 11.949 -1.683 7.067 1.00 2.13 H new ATOM 18 N ASP A 2 7.372 -6.138 5.328 1.00 4.11 N ATOM 19 CA ASP A 2 6.305 -6.559 4.428 1.00 44.04 C ATOM 20 C ASP A 2 6.642 -6.204 2.983 1.00 52.42 C ATOM 21 O ASP A 2 5.825 -5.621 2.268 1.00 21.04 O ATOM 22 CB ASP A 2 4.982 -5.908 4.831 1.00 13.42 C ATOM 23 CG ASP A 2 4.403 -6.508 6.098 1.00 44.15 C ATOM 24 OD1 ASP A 2 5.181 -6.770 7.039 1.00 22.40 O ATOM 25 OD2 ASP A 2 3.173 -6.714 6.148 1.00 61.35 O ATOM 0 H ASP A 2 7.337 -5.153 5.592 1.00 4.11 H new ATOM 0 HA ASP A 2 6.205 -7.642 4.504 1.00 44.04 H new ATOM 0 HB2 ASP A 2 5.136 -4.839 4.976 1.00 13.42 H new ATOM 0 HB3 ASP A 2 4.264 -6.019 4.019 1.00 13.42 H new ATOM 30 N THR A 3 7.851 -6.557 2.558 1.00 71.23 N ATOM 31 CA THR A 3 8.297 -6.274 1.199 1.00 14.14 C ATOM 32 C THR A 3 7.687 -7.255 0.205 1.00 55.34 C ATOM 33 O THR A 3 6.844 -6.882 -0.612 1.00 10.01 O ATOM 34 CB THR A 3 9.832 -6.335 1.088 1.00 73.14 C ATOM 35 OG1 THR A 3 10.329 -7.475 1.797 1.00 65.12 O ATOM 36 CG2 THR A 3 10.466 -5.069 1.644 1.00 53.04 C ATOM 0 H THR A 3 8.539 -7.040 3.136 1.00 71.23 H new ATOM 0 HA THR A 3 7.963 -5.264 0.960 1.00 14.14 H new ATOM 0 HB THR A 3 10.095 -6.420 0.034 1.00 73.14 H new ATOM 0 HG1 THR A 3 11.305 -7.508 1.720 1.00 65.12 H new ATOM 0 HG21 THR A 3 11.550 -5.136 1.555 1.00 53.04 H new ATOM 0 HG22 THR A 3 10.108 -4.206 1.083 1.00 53.04 H new ATOM 0 HG23 THR A 3 10.195 -4.957 2.694 1.00 53.04 H new ATOM 44 N ASP A 4 8.116 -8.509 0.279 1.00 64.41 N ATOM 45 CA ASP A 4 7.611 -9.545 -0.615 1.00 34.14 C ATOM 46 C ASP A 4 7.739 -9.115 -2.073 1.00 22.24 C ATOM 47 O ASP A 4 6.850 -9.368 -2.885 1.00 62.34 O ATOM 48 CB ASP A 4 6.150 -9.860 -0.290 1.00 14.13 C ATOM 49 CG ASP A 4 6.002 -10.676 0.980 1.00 55.25 C ATOM 50 OD1 ASP A 4 7.032 -10.966 1.621 1.00 25.22 O ATOM 51 OD2 ASP A 4 4.855 -11.025 1.331 1.00 53.44 O ATOM 0 H ASP A 4 8.813 -8.834 0.949 1.00 64.41 H new ATOM 0 HA ASP A 4 8.211 -10.443 -0.466 1.00 34.14 H new ATOM 0 HB2 ASP A 4 5.595 -8.928 -0.186 1.00 14.13 H new ATOM 0 HB3 ASP A 4 5.705 -10.405 -1.122 1.00 14.13 H new ATOM 56 N SER A 5 8.851 -8.463 -2.396 1.00 43.01 N ATOM 57 CA SER A 5 9.094 -7.993 -3.755 1.00 62.31 C ATOM 58 C SER A 5 10.046 -8.931 -4.492 1.00 2.33 C ATOM 59 O SER A 5 9.873 -9.200 -5.680 1.00 12.41 O ATOM 60 CB SER A 5 9.671 -6.577 -3.732 1.00 43.32 C ATOM 61 OG SER A 5 9.835 -6.114 -2.403 1.00 30.12 O ATOM 0 H SER A 5 9.598 -8.248 -1.735 1.00 43.01 H new ATOM 0 HA SER A 5 8.141 -7.981 -4.285 1.00 62.31 H new ATOM 0 HB2 SER A 5 10.632 -6.564 -4.246 1.00 43.32 H new ATOM 0 HB3 SER A 5 9.010 -5.903 -4.276 1.00 43.32 H new ATOM 0 HG SER A 5 10.207 -5.207 -2.416 1.00 30.12 H new ATOM 67 N GLU A 6 11.052 -9.424 -3.776 1.00 61.34 N ATOM 68 CA GLU A 6 12.032 -10.331 -4.362 1.00 45.12 C ATOM 69 C GLU A 6 12.442 -11.409 -3.363 1.00 1.12 C ATOM 70 O GLU A 6 13.538 -11.963 -3.447 1.00 14.12 O ATOM 71 CB GLU A 6 13.267 -9.553 -4.825 1.00 35.43 C ATOM 72 CG GLU A 6 14.069 -8.951 -3.684 1.00 0.31 C ATOM 73 CD GLU A 6 14.069 -7.434 -3.708 1.00 62.52 C ATOM 74 OE1 GLU A 6 13.028 -6.846 -4.066 1.00 34.13 O ATOM 75 OE2 GLU A 6 15.112 -6.837 -3.369 1.00 40.41 O ATOM 0 H GLU A 6 11.209 -9.211 -2.791 1.00 61.34 H new ATOM 0 HA GLU A 6 11.572 -10.815 -5.223 1.00 45.12 H new ATOM 0 HB2 GLU A 6 13.911 -10.219 -5.399 1.00 35.43 H new ATOM 0 HB3 GLU A 6 12.952 -8.755 -5.498 1.00 35.43 H new ATOM 0 HG2 GLU A 6 13.659 -9.296 -2.735 1.00 0.31 H new ATOM 0 HG3 GLU A 6 15.096 -9.312 -3.737 1.00 0.31 H new ATOM 82 N GLU A 7 11.554 -11.700 -2.418 1.00 14.23 N ATOM 83 CA GLU A 7 11.823 -12.710 -1.401 1.00 64.15 C ATOM 84 C GLU A 7 11.245 -14.062 -1.811 1.00 14.54 C ATOM 85 O GLU A 7 11.948 -15.071 -1.823 1.00 43.23 O ATOM 86 CB GLU A 7 11.239 -12.279 -0.055 1.00 31.44 C ATOM 87 CG GLU A 7 12.062 -12.733 1.139 1.00 20.52 C ATOM 88 CD GLU A 7 12.640 -11.572 1.925 1.00 71.40 C ATOM 89 OE1 GLU A 7 13.200 -10.650 1.296 1.00 30.25 O ATOM 90 OE2 GLU A 7 12.531 -11.586 3.169 1.00 24.41 O ATOM 0 H GLU A 7 10.642 -11.251 -2.335 1.00 14.23 H new ATOM 0 HA GLU A 7 12.904 -12.811 -1.303 1.00 64.15 H new ATOM 0 HB2 GLU A 7 11.155 -11.192 -0.036 1.00 31.44 H new ATOM 0 HB3 GLU A 7 10.229 -12.678 0.038 1.00 31.44 H new ATOM 0 HG2 GLU A 7 11.438 -13.337 1.797 1.00 20.52 H new ATOM 0 HG3 GLU A 7 12.874 -13.373 0.794 1.00 20.52 H new ATOM 97 N GLU A 8 9.958 -14.071 -2.144 1.00 34.23 N ATOM 98 CA GLU A 8 9.284 -15.298 -2.552 1.00 21.42 C ATOM 99 C GLU A 8 9.656 -15.673 -3.984 1.00 15.52 C ATOM 100 O GLU A 8 9.254 -16.723 -4.486 1.00 51.41 O ATOM 101 CB GLU A 8 7.767 -15.138 -2.432 1.00 41.00 C ATOM 102 CG GLU A 8 7.195 -14.064 -3.342 1.00 30.00 C ATOM 103 CD GLU A 8 5.878 -14.474 -3.972 1.00 63.34 C ATOM 104 OE1 GLU A 8 5.890 -15.381 -4.831 1.00 54.14 O ATOM 105 OE2 GLU A 8 4.837 -13.889 -3.607 1.00 63.25 O ATOM 0 H GLU A 8 9.362 -13.243 -2.139 1.00 34.23 H new ATOM 0 HA GLU A 8 9.610 -16.099 -1.889 1.00 21.42 H new ATOM 0 HB2 GLU A 8 7.290 -16.090 -2.663 1.00 41.00 H new ATOM 0 HB3 GLU A 8 7.516 -14.899 -1.399 1.00 41.00 H new ATOM 0 HG2 GLU A 8 7.050 -13.148 -2.770 1.00 30.00 H new ATOM 0 HG3 GLU A 8 7.915 -13.838 -4.129 1.00 30.00 H new ATOM 112 N ILE A 9 10.424 -14.806 -4.635 1.00 52.10 N ATOM 113 CA ILE A 9 10.850 -15.045 -6.008 1.00 72.13 C ATOM 114 C ILE A 9 12.175 -15.798 -6.050 1.00 4.34 C ATOM 115 O ILE A 9 12.308 -16.804 -6.746 1.00 31.54 O ATOM 116 CB ILE A 9 10.997 -13.726 -6.790 1.00 74.20 C ATOM 117 CG1 ILE A 9 9.677 -12.952 -6.779 1.00 71.14 C ATOM 118 CG2 ILE A 9 11.443 -14.004 -8.218 1.00 12.32 C ATOM 119 CD1 ILE A 9 9.742 -11.636 -7.523 1.00 21.42 C ATOM 0 H ILE A 9 10.764 -13.932 -4.234 1.00 52.10 H new ATOM 0 HA ILE A 9 10.075 -15.652 -6.477 1.00 72.13 H new ATOM 0 HB ILE A 9 11.759 -13.115 -6.305 1.00 74.20 H new ATOM 0 HG12 ILE A 9 8.898 -13.572 -7.222 1.00 71.14 H new ATOM 0 HG13 ILE A 9 9.385 -12.762 -5.746 1.00 71.14 H new ATOM 0 HG21 ILE A 9 11.542 -13.062 -8.758 1.00 12.32 H new ATOM 0 HG22 ILE A 9 12.404 -14.518 -8.205 1.00 12.32 H new ATOM 0 HG23 ILE A 9 10.703 -14.631 -8.715 1.00 12.32 H new ATOM 0 HD11 ILE A 9 8.772 -11.142 -7.474 1.00 21.42 H new ATOM 0 HD12 ILE A 9 10.498 -10.997 -7.067 1.00 21.42 H new ATOM 0 HD13 ILE A 9 10.003 -11.820 -8.565 1.00 21.42 H new ATOM 131 N ARG A 10 13.154 -15.303 -5.298 1.00 72.50 N ATOM 132 CA ARG A 10 14.469 -15.930 -5.248 1.00 44.50 C ATOM 133 C ARG A 10 14.352 -17.416 -4.925 1.00 61.34 C ATOM 134 O ARG A 10 15.065 -18.242 -5.494 1.00 62.21 O ATOM 135 CB ARG A 10 15.348 -15.238 -4.204 1.00 15.24 C ATOM 136 CG ARG A 10 14.636 -14.977 -2.886 1.00 51.53 C ATOM 137 CD ARG A 10 15.606 -14.508 -1.813 1.00 34.24 C ATOM 138 NE ARG A 10 16.438 -13.400 -2.273 1.00 24.32 N ATOM 139 CZ ARG A 10 17.377 -12.827 -1.527 1.00 74.12 C ATOM 140 NH1 ARG A 10 17.600 -13.255 -0.292 1.00 63.35 N ATOM 141 NH2 ARG A 10 18.094 -11.824 -2.017 1.00 14.43 N ATOM 0 H ARG A 10 13.061 -14.471 -4.716 1.00 72.50 H new ATOM 0 HA ARG A 10 14.931 -15.825 -6.230 1.00 44.50 H new ATOM 0 HB2 ARG A 10 16.228 -15.853 -4.016 1.00 15.24 H new ATOM 0 HB3 ARG A 10 15.702 -14.290 -4.610 1.00 15.24 H new ATOM 0 HG2 ARG A 10 13.862 -14.224 -3.032 1.00 51.53 H new ATOM 0 HG3 ARG A 10 14.137 -15.887 -2.554 1.00 51.53 H new ATOM 0 HD2 ARG A 10 15.047 -14.199 -0.929 1.00 34.24 H new ATOM 0 HD3 ARG A 10 16.244 -15.339 -1.512 1.00 34.24 H new ATOM 0 HE ARG A 10 16.291 -13.046 -3.218 1.00 24.32 H new ATOM 0 HH11 ARG A 10 17.050 -14.026 0.088 1.00 63.35 H new ATOM 0 HH12 ARG A 10 18.321 -12.813 0.278 1.00 63.35 H new ATOM 0 HH21 ARG A 10 17.925 -11.492 -2.967 1.00 14.43 H new ATOM 0 HH22 ARG A 10 18.814 -11.385 -1.444 1.00 14.43 H new ATOM 155 N GLU A 11 13.448 -17.748 -4.009 1.00 21.30 N ATOM 156 CA GLU A 11 13.239 -19.135 -3.610 1.00 62.34 C ATOM 157 C GLU A 11 12.344 -19.860 -4.612 1.00 25.34 C ATOM 158 O GLU A 11 12.385 -21.085 -4.722 1.00 75.24 O ATOM 159 CB GLU A 11 12.617 -19.200 -2.214 1.00 2.31 C ATOM 160 CG GLU A 11 13.396 -18.425 -1.164 1.00 51.43 C ATOM 161 CD GLU A 11 14.084 -19.330 -0.162 1.00 22.24 C ATOM 162 OE1 GLU A 11 14.994 -20.083 -0.569 1.00 53.25 O ATOM 163 OE2 GLU A 11 13.714 -19.287 1.030 1.00 53.20 O ATOM 0 H GLU A 11 12.849 -17.076 -3.529 1.00 21.30 H new ATOM 0 HA GLU A 11 14.210 -19.631 -3.590 1.00 62.34 H new ATOM 0 HB2 GLU A 11 11.600 -18.811 -2.260 1.00 2.31 H new ATOM 0 HB3 GLU A 11 12.546 -20.243 -1.905 1.00 2.31 H new ATOM 0 HG2 GLU A 11 14.142 -17.802 -1.657 1.00 51.43 H new ATOM 0 HG3 GLU A 11 12.718 -17.754 -0.636 1.00 51.43 H new ATOM 170 N ALA A 12 11.537 -19.094 -5.338 1.00 64.00 N ATOM 171 CA ALA A 12 10.634 -19.662 -6.331 1.00 32.02 C ATOM 172 C ALA A 12 11.405 -20.196 -7.533 1.00 71.20 C ATOM 173 O ALA A 12 11.014 -21.193 -8.141 1.00 1.01 O ATOM 174 CB ALA A 12 9.616 -18.622 -6.774 1.00 54.10 C ATOM 0 H ALA A 12 11.490 -18.078 -5.257 1.00 64.00 H new ATOM 0 HA ALA A 12 10.107 -20.498 -5.871 1.00 32.02 H new ATOM 0 HB1 ALA A 12 8.948 -19.060 -7.516 1.00 54.10 H new ATOM 0 HB2 ALA A 12 9.035 -18.291 -5.913 1.00 54.10 H new ATOM 0 HB3 ALA A 12 10.134 -17.769 -7.211 1.00 54.10 H new ATOM 180 N PHE A 13 12.502 -19.526 -7.872 1.00 34.53 N ATOM 181 CA PHE A 13 13.327 -19.933 -9.003 1.00 71.21 C ATOM 182 C PHE A 13 14.283 -21.053 -8.604 1.00 23.11 C ATOM 183 O PHE A 13 14.794 -21.781 -9.456 1.00 1.34 O ATOM 184 CB PHE A 13 14.118 -18.739 -9.540 1.00 1.30 C ATOM 185 CG PHE A 13 13.512 -18.121 -10.768 1.00 11.15 C ATOM 186 CD1 PHE A 13 12.469 -17.215 -10.660 1.00 72.23 C ATOM 187 CD2 PHE A 13 13.985 -18.446 -12.029 1.00 3.45 C ATOM 188 CE1 PHE A 13 11.909 -16.646 -11.788 1.00 73.04 C ATOM 189 CE2 PHE A 13 13.429 -17.879 -13.160 1.00 65.23 C ATOM 190 CZ PHE A 13 12.390 -16.977 -13.040 1.00 24.52 C ATOM 0 H PHE A 13 12.840 -18.699 -7.379 1.00 34.53 H new ATOM 0 HA PHE A 13 12.667 -20.305 -9.787 1.00 71.21 H new ATOM 0 HB2 PHE A 13 14.191 -17.981 -8.760 1.00 1.30 H new ATOM 0 HB3 PHE A 13 15.134 -19.060 -9.768 1.00 1.30 H new ATOM 0 HD1 PHE A 13 12.090 -16.951 -9.684 1.00 72.23 H new ATOM 0 HD2 PHE A 13 14.797 -19.150 -12.129 1.00 3.45 H new ATOM 0 HE1 PHE A 13 11.095 -15.943 -11.691 1.00 73.04 H new ATOM 0 HE2 PHE A 13 13.807 -18.141 -14.137 1.00 65.23 H new ATOM 0 HZ PHE A 13 11.955 -16.532 -13.922 1.00 24.52 H new ATOM 200 N ARG A 14 14.521 -21.184 -7.303 1.00 21.31 N ATOM 201 CA ARG A 14 15.417 -22.214 -6.790 1.00 42.40 C ATOM 202 C ARG A 14 14.699 -23.556 -6.684 1.00 43.10 C ATOM 203 O ARG A 14 15.289 -24.608 -6.930 1.00 74.34 O ATOM 204 CB ARG A 14 15.965 -21.807 -5.421 1.00 2.30 C ATOM 205 CG ARG A 14 17.483 -21.822 -5.344 1.00 1.34 C ATOM 206 CD ARG A 14 18.067 -20.437 -5.579 1.00 74.34 C ATOM 207 NE ARG A 14 18.176 -19.671 -4.341 1.00 34.01 N ATOM 208 CZ ARG A 14 19.064 -19.935 -3.389 1.00 72.11 C ATOM 209 NH1 ARG A 14 19.916 -20.941 -3.533 1.00 52.43 N ATOM 210 NH2 ARG A 14 19.101 -19.192 -2.290 1.00 61.23 N ATOM 0 H ARG A 14 14.106 -20.590 -6.585 1.00 21.31 H new ATOM 0 HA ARG A 14 16.246 -22.320 -7.489 1.00 42.40 H new ATOM 0 HB2 ARG A 14 15.607 -20.806 -5.179 1.00 2.30 H new ATOM 0 HB3 ARG A 14 15.564 -22.481 -4.664 1.00 2.30 H new ATOM 0 HG2 ARG A 14 17.795 -22.188 -4.366 1.00 1.34 H new ATOM 0 HG3 ARG A 14 17.879 -22.516 -6.086 1.00 1.34 H new ATOM 0 HD2 ARG A 14 19.053 -20.532 -6.034 1.00 74.34 H new ATOM 0 HD3 ARG A 14 17.440 -19.895 -6.287 1.00 74.34 H new ATOM 0 HE ARG A 14 17.535 -18.890 -4.199 1.00 34.01 H new ATOM 0 HH11 ARG A 14 19.890 -21.514 -4.376 1.00 52.43 H new ATOM 0 HH12 ARG A 14 20.597 -21.142 -2.800 1.00 52.43 H new ATOM 0 HH21 ARG A 14 18.447 -18.417 -2.176 1.00 61.23 H new ATOM 0 HH22 ARG A 14 19.783 -19.396 -1.560 1.00 61.23 H new ATOM 224 N VAL A 15 13.423 -23.511 -6.315 1.00 70.01 N ATOM 225 CA VAL A 15 12.624 -24.723 -6.177 1.00 1.12 C ATOM 226 C VAL A 15 12.313 -25.334 -7.538 1.00 73.13 C ATOM 227 O VAL A 15 12.068 -26.536 -7.650 1.00 44.42 O ATOM 228 CB VAL A 15 11.302 -24.442 -5.438 1.00 22.43 C ATOM 229 CG1 VAL A 15 10.453 -25.702 -5.365 1.00 23.41 C ATOM 230 CG2 VAL A 15 11.577 -23.893 -4.046 1.00 33.42 C ATOM 0 H VAL A 15 12.920 -22.648 -6.106 1.00 70.01 H new ATOM 0 HA VAL A 15 13.216 -25.428 -5.593 1.00 1.12 H new ATOM 0 HB VAL A 15 10.746 -23.690 -5.997 1.00 22.43 H new ATOM 0 HG11 VAL A 15 9.523 -25.484 -4.840 1.00 23.41 H new ATOM 0 HG12 VAL A 15 10.227 -26.048 -6.374 1.00 23.41 H new ATOM 0 HG13 VAL A 15 10.999 -26.478 -4.829 1.00 23.41 H new ATOM 0 HG21 VAL A 15 10.632 -23.700 -3.538 1.00 33.42 H new ATOM 0 HG22 VAL A 15 12.154 -24.621 -3.475 1.00 33.42 H new ATOM 0 HG23 VAL A 15 12.142 -22.964 -4.126 1.00 33.42 H new ATOM 240 N PHE A 16 12.324 -24.499 -8.572 1.00 75.10 N ATOM 241 CA PHE A 16 12.042 -24.957 -9.928 1.00 13.14 C ATOM 242 C PHE A 16 13.248 -25.681 -10.519 1.00 13.11 C ATOM 243 O PHE A 16 13.107 -26.517 -11.411 1.00 70.51 O ATOM 244 CB PHE A 16 11.655 -23.774 -10.818 1.00 65.11 C ATOM 245 CG PHE A 16 10.179 -23.673 -11.074 1.00 31.32 C ATOM 246 CD1 PHE A 16 9.274 -23.759 -10.028 1.00 71.40 C ATOM 247 CD2 PHE A 16 9.696 -23.492 -12.360 1.00 12.24 C ATOM 248 CE1 PHE A 16 7.915 -23.668 -10.261 1.00 13.32 C ATOM 249 CE2 PHE A 16 8.337 -23.399 -12.598 1.00 45.04 C ATOM 250 CZ PHE A 16 7.446 -23.486 -11.547 1.00 71.03 C ATOM 0 H PHE A 16 12.525 -23.502 -8.497 1.00 75.10 H new ATOM 0 HA PHE A 16 11.207 -25.657 -9.883 1.00 13.14 H new ATOM 0 HB2 PHE A 16 11.998 -22.851 -10.351 1.00 65.11 H new ATOM 0 HB3 PHE A 16 12.176 -23.862 -11.772 1.00 65.11 H new ATOM 0 HD1 PHE A 16 9.635 -23.899 -9.020 1.00 71.40 H new ATOM 0 HD2 PHE A 16 10.389 -23.423 -13.186 1.00 12.24 H new ATOM 0 HE1 PHE A 16 7.220 -23.739 -9.438 1.00 13.32 H new ATOM 0 HE2 PHE A 16 7.973 -23.258 -13.605 1.00 45.04 H new ATOM 0 HZ PHE A 16 6.384 -23.412 -11.730 1.00 71.03 H new ATOM 260 N ASP A 17 14.432 -25.352 -10.016 1.00 24.22 N ATOM 261 CA ASP A 17 15.664 -25.971 -10.493 1.00 11.51 C ATOM 262 C ASP A 17 15.662 -27.470 -10.214 1.00 63.43 C ATOM 263 O ASP A 17 15.491 -27.901 -9.074 1.00 0.14 O ATOM 264 CB ASP A 17 16.878 -25.317 -9.830 1.00 73.40 C ATOM 265 CG ASP A 17 18.185 -25.744 -10.468 1.00 22.44 C ATOM 266 OD1 ASP A 17 18.180 -26.064 -11.675 1.00 13.43 O ATOM 267 OD2 ASP A 17 19.214 -25.760 -9.759 1.00 71.33 O ATOM 0 H ASP A 17 14.566 -24.660 -9.278 1.00 24.22 H new ATOM 0 HA ASP A 17 15.724 -25.821 -11.571 1.00 11.51 H new ATOM 0 HB2 ASP A 17 16.783 -24.233 -9.893 1.00 73.40 H new ATOM 0 HB3 ASP A 17 16.893 -25.574 -8.771 1.00 73.40 H new ATOM 272 N LYS A 18 15.853 -28.262 -11.264 1.00 60.21 N ATOM 273 CA LYS A 18 15.874 -29.714 -11.134 1.00 70.31 C ATOM 274 C LYS A 18 17.276 -30.210 -10.794 1.00 12.14 C ATOM 275 O LYS A 18 17.520 -30.700 -9.691 1.00 5.31 O ATOM 276 CB LYS A 18 15.390 -30.370 -12.430 1.00 4.05 C ATOM 277 CG LYS A 18 13.984 -30.936 -12.337 1.00 30.05 C ATOM 278 CD LYS A 18 13.967 -32.433 -12.596 1.00 41.05 C ATOM 279 CE LYS A 18 14.625 -33.203 -11.462 1.00 30.22 C ATOM 280 NZ LYS A 18 13.623 -33.728 -10.494 1.00 33.43 N ATOM 0 H LYS A 18 15.996 -27.922 -12.215 1.00 60.21 H new ATOM 0 HA LYS A 18 15.203 -29.990 -10.321 1.00 70.31 H new ATOM 0 HB2 LYS A 18 15.424 -29.635 -13.234 1.00 4.05 H new ATOM 0 HB3 LYS A 18 16.078 -31.171 -12.701 1.00 4.05 H new ATOM 0 HG2 LYS A 18 13.574 -30.732 -11.348 1.00 30.05 H new ATOM 0 HG3 LYS A 18 13.340 -30.434 -13.059 1.00 30.05 H new ATOM 0 HD2 LYS A 18 12.938 -32.771 -12.717 1.00 41.05 H new ATOM 0 HD3 LYS A 18 14.485 -32.647 -13.531 1.00 41.05 H new ATOM 0 HE2 LYS A 18 15.202 -34.032 -11.872 1.00 30.22 H new ATOM 0 HE3 LYS A 18 15.327 -32.553 -10.941 1.00 30.22 H new ATOM 0 HZ1 LYS A 18 14.111 -34.247 -9.736 1.00 33.43 H new ATOM 0 HZ2 LYS A 18 13.089 -32.936 -10.083 1.00 33.43 H new ATOM 0 HZ3 LYS A 18 12.968 -34.369 -10.986 1.00 33.43 H new ATOM 294 N ASP A 19 18.192 -30.078 -11.746 1.00 64.11 N ATOM 295 CA ASP A 19 19.571 -30.510 -11.546 1.00 33.32 C ATOM 296 C ASP A 19 20.550 -29.442 -12.022 1.00 11.55 C ATOM 297 O ASP A 19 21.613 -29.753 -12.557 1.00 75.14 O ATOM 298 CB ASP A 19 19.829 -31.823 -12.288 1.00 0.35 C ATOM 299 CG ASP A 19 20.820 -32.712 -11.563 1.00 31.15 C ATOM 300 OD1 ASP A 19 20.405 -33.414 -10.617 1.00 70.53 O ATOM 301 OD2 ASP A 19 22.011 -32.705 -11.940 1.00 34.12 O ATOM 0 H ASP A 19 18.005 -29.675 -12.664 1.00 64.11 H new ATOM 0 HA ASP A 19 19.725 -30.668 -10.479 1.00 33.32 H new ATOM 0 HB2 ASP A 19 18.888 -32.358 -12.411 1.00 0.35 H new ATOM 0 HB3 ASP A 19 20.205 -31.604 -13.288 1.00 0.35 H new ATOM 306 N GLY A 20 20.183 -28.179 -11.822 1.00 60.05 N ATOM 307 CA GLY A 20 21.039 -27.083 -12.238 1.00 23.51 C ATOM 308 C GLY A 20 21.640 -26.339 -11.062 1.00 62.20 C ATOM 309 O GLY A 20 22.211 -26.949 -10.159 1.00 62.32 O ATOM 0 H GLY A 20 19.309 -27.896 -11.380 1.00 60.05 H new ATOM 0 HA2 GLY A 20 21.840 -27.470 -12.867 1.00 23.51 H new ATOM 0 HA3 GLY A 20 20.463 -26.387 -12.848 1.00 23.51 H new ATOM 313 N ASN A 21 21.513 -25.016 -11.073 1.00 71.34 N ATOM 314 CA ASN A 21 22.050 -24.187 -10.000 1.00 62.55 C ATOM 315 C ASN A 21 21.584 -22.742 -10.144 1.00 51.01 C ATOM 316 O ASN A 21 22.395 -21.828 -10.284 1.00 43.13 O ATOM 317 CB ASN A 21 23.579 -24.244 -10.001 1.00 22.42 C ATOM 318 CG ASN A 21 24.182 -23.611 -8.761 1.00 74.25 C ATOM 319 OD1 ASN A 21 24.053 -24.139 -7.656 1.00 50.45 O ATOM 320 ND2 ASN A 21 24.843 -22.474 -8.940 1.00 45.04 N ATOM 0 H ASN A 21 21.043 -24.495 -11.813 1.00 71.34 H new ATOM 0 HA ASN A 21 21.679 -24.577 -9.052 1.00 62.55 H new ATOM 0 HB2 ASN A 21 23.901 -25.283 -10.068 1.00 22.42 H new ATOM 0 HB3 ASN A 21 23.958 -23.735 -10.887 1.00 22.42 H new ATOM 0 HD21 ASN A 21 25.270 -22.001 -8.143 1.00 45.04 H new ATOM 0 HD22 ASN A 21 24.924 -22.073 -9.874 1.00 45.04 H new ATOM 327 N GLY A 22 20.270 -22.543 -10.108 1.00 33.24 N ATOM 328 CA GLY A 22 19.718 -21.207 -10.234 1.00 73.15 C ATOM 329 C GLY A 22 19.354 -20.863 -11.665 1.00 60.54 C ATOM 330 O GLY A 22 18.513 -19.998 -11.909 1.00 12.03 O ATOM 0 H GLY A 22 19.578 -23.283 -9.994 1.00 33.24 H new ATOM 0 HA2 GLY A 22 18.831 -21.123 -9.606 1.00 73.15 H new ATOM 0 HA3 GLY A 22 20.441 -20.482 -9.862 1.00 73.15 H new ATOM 334 N TYR A 23 19.990 -21.541 -12.615 1.00 32.14 N ATOM 335 CA TYR A 23 19.732 -21.300 -14.029 1.00 54.02 C ATOM 336 C TYR A 23 18.674 -22.262 -14.562 1.00 13.34 C ATOM 337 O TYR A 23 18.835 -23.480 -14.491 1.00 65.45 O ATOM 338 CB TYR A 23 21.022 -21.446 -14.837 1.00 24.12 C ATOM 339 CG TYR A 23 22.160 -20.595 -14.319 1.00 61.23 C ATOM 340 CD1 TYR A 23 22.956 -21.031 -13.267 1.00 2.20 C ATOM 341 CD2 TYR A 23 22.438 -19.356 -14.882 1.00 4.45 C ATOM 342 CE1 TYR A 23 23.996 -20.257 -12.790 1.00 43.32 C ATOM 343 CE2 TYR A 23 23.477 -18.575 -14.412 1.00 63.53 C ATOM 344 CZ TYR A 23 24.253 -19.030 -13.366 1.00 62.14 C ATOM 345 OH TYR A 23 25.288 -18.255 -12.895 1.00 62.31 O ATOM 0 H TYR A 23 20.688 -22.262 -12.431 1.00 32.14 H new ATOM 0 HA TYR A 23 19.358 -20.282 -14.135 1.00 54.02 H new ATOM 0 HB2 TYR A 23 21.329 -22.492 -14.830 1.00 24.12 H new ATOM 0 HB3 TYR A 23 20.823 -21.179 -15.875 1.00 24.12 H new ATOM 0 HD1 TYR A 23 22.758 -21.991 -12.814 1.00 2.20 H new ATOM 0 HD2 TYR A 23 21.832 -18.997 -15.701 1.00 4.45 H new ATOM 0 HE1 TYR A 23 24.605 -20.610 -11.971 1.00 43.32 H new ATOM 0 HE2 TYR A 23 23.680 -17.614 -14.861 1.00 63.53 H new ATOM 0 HH TYR A 23 25.334 -17.423 -13.410 1.00 62.31 H new ATOM 355 N ILE A 24 17.592 -21.704 -15.094 1.00 75.42 N ATOM 356 CA ILE A 24 16.508 -22.511 -15.640 1.00 75.44 C ATOM 357 C ILE A 24 16.469 -22.423 -17.162 1.00 64.13 C ATOM 358 O ILE A 24 17.251 -21.693 -17.772 1.00 15.53 O ATOM 359 CB ILE A 24 15.142 -22.075 -15.078 1.00 10.23 C ATOM 360 CG1 ILE A 24 14.982 -20.557 -15.188 1.00 60.12 C ATOM 361 CG2 ILE A 24 14.997 -22.524 -13.632 1.00 32.34 C ATOM 362 CD1 ILE A 24 13.668 -20.131 -15.804 1.00 34.31 C ATOM 0 H ILE A 24 17.443 -20.697 -15.159 1.00 75.42 H new ATOM 0 HA ILE A 24 16.702 -23.541 -15.342 1.00 75.44 H new ATOM 0 HB ILE A 24 14.356 -22.548 -15.666 1.00 10.23 H new ATOM 0 HG12 ILE A 24 15.067 -20.118 -14.194 1.00 60.12 H new ATOM 0 HG13 ILE A 24 15.801 -20.156 -15.785 1.00 60.12 H new ATOM 0 HG21 ILE A 24 14.027 -22.209 -13.249 1.00 32.34 H new ATOM 0 HG22 ILE A 24 15.073 -23.610 -13.579 1.00 32.34 H new ATOM 0 HG23 ILE A 24 15.788 -22.076 -13.031 1.00 32.34 H new ATOM 0 HD11 ILE A 24 13.624 -19.043 -15.850 1.00 34.31 H new ATOM 0 HD12 ILE A 24 13.588 -20.541 -16.811 1.00 34.31 H new ATOM 0 HD13 ILE A 24 12.844 -20.502 -15.195 1.00 34.31 H new ATOM 374 N SER A 25 15.554 -23.171 -17.770 1.00 62.13 N ATOM 375 CA SER A 25 15.415 -23.179 -19.222 1.00 31.22 C ATOM 376 C SER A 25 14.305 -22.231 -19.666 1.00 71.52 C ATOM 377 O SER A 25 13.528 -21.741 -18.848 1.00 33.32 O ATOM 378 CB SER A 25 15.121 -24.596 -19.719 1.00 41.23 C ATOM 379 OG SER A 25 16.182 -25.085 -20.521 1.00 24.22 O ATOM 0 H SER A 25 14.898 -23.779 -17.280 1.00 62.13 H new ATOM 0 HA SER A 25 16.355 -22.838 -19.655 1.00 31.22 H new ATOM 0 HB2 SER A 25 14.969 -25.259 -18.867 1.00 41.23 H new ATOM 0 HB3 SER A 25 14.195 -24.598 -20.294 1.00 41.23 H new ATOM 0 HG SER A 25 15.971 -25.993 -20.825 1.00 24.22 H new ATOM 385 N ALA A 26 14.238 -21.978 -20.969 1.00 61.42 N ATOM 386 CA ALA A 26 13.223 -21.092 -21.524 1.00 41.40 C ATOM 387 C ALA A 26 11.835 -21.453 -21.005 1.00 4.31 C ATOM 388 O ALA A 26 11.081 -20.585 -20.568 1.00 54.40 O ATOM 389 CB ALA A 26 13.250 -21.144 -23.044 1.00 62.34 C ATOM 0 H ALA A 26 14.875 -22.374 -21.660 1.00 61.42 H new ATOM 0 HA ALA A 26 13.449 -20.075 -21.202 1.00 41.40 H new ATOM 0 HB1 ALA A 26 12.486 -20.477 -23.444 1.00 62.34 H new ATOM 0 HB2 ALA A 26 14.230 -20.829 -23.401 1.00 62.34 H new ATOM 0 HB3 ALA A 26 13.053 -22.163 -23.377 1.00 62.34 H new ATOM 395 N ALA A 27 11.506 -22.739 -21.057 1.00 33.13 N ATOM 396 CA ALA A 27 10.209 -23.215 -20.590 1.00 41.34 C ATOM 397 C ALA A 27 9.897 -22.680 -19.197 1.00 11.31 C ATOM 398 O ALA A 27 8.801 -22.179 -18.945 1.00 51.32 O ATOM 399 CB ALA A 27 10.172 -24.736 -20.594 1.00 43.24 C ATOM 0 H ALA A 27 12.119 -23.470 -21.418 1.00 33.13 H new ATOM 0 HA ALA A 27 9.446 -22.842 -21.273 1.00 41.34 H new ATOM 0 HB1 ALA A 27 9.198 -25.077 -20.243 1.00 43.24 H new ATOM 0 HB2 ALA A 27 10.341 -25.101 -21.607 1.00 43.24 H new ATOM 0 HB3 ALA A 27 10.950 -25.121 -19.935 1.00 43.24 H new ATOM 405 N ASP A 28 10.866 -22.790 -18.295 1.00 42.12 N ATOM 406 CA ASP A 28 10.695 -22.317 -16.927 1.00 14.35 C ATOM 407 C ASP A 28 10.675 -20.792 -16.877 1.00 74.22 C ATOM 408 O ASP A 28 10.038 -20.197 -16.007 1.00 54.21 O ATOM 409 CB ASP A 28 11.815 -22.854 -16.034 1.00 51.34 C ATOM 410 CG ASP A 28 11.434 -24.148 -15.343 1.00 1.24 C ATOM 411 OD1 ASP A 28 10.486 -24.814 -15.810 1.00 23.05 O ATOM 412 OD2 ASP A 28 12.084 -24.495 -14.335 1.00 25.01 O ATOM 0 H ASP A 28 11.779 -23.203 -18.487 1.00 42.12 H new ATOM 0 HA ASP A 28 9.738 -22.687 -16.559 1.00 14.35 H new ATOM 0 HB2 ASP A 28 12.709 -23.016 -16.636 1.00 51.34 H new ATOM 0 HB3 ASP A 28 12.068 -22.105 -15.283 1.00 51.34 H new ATOM 417 N LEU A 29 11.377 -20.166 -17.815 1.00 54.11 N ATOM 418 CA LEU A 29 11.441 -18.710 -17.878 1.00 53.24 C ATOM 419 C LEU A 29 10.094 -18.123 -18.288 1.00 51.25 C ATOM 420 O LEU A 29 9.500 -17.333 -17.554 1.00 23.12 O ATOM 421 CB LEU A 29 12.523 -18.270 -18.865 1.00 45.23 C ATOM 422 CG LEU A 29 12.467 -16.810 -19.317 1.00 74.23 C ATOM 423 CD1 LEU A 29 12.740 -15.878 -18.147 1.00 71.02 C ATOM 424 CD2 LEU A 29 13.460 -16.561 -20.443 1.00 73.41 C ATOM 0 H LEU A 29 11.910 -20.643 -18.542 1.00 54.11 H new ATOM 0 HA LEU A 29 11.691 -18.339 -16.884 1.00 53.24 H new ATOM 0 HB2 LEU A 29 13.497 -18.451 -18.410 1.00 45.23 H new ATOM 0 HB3 LEU A 29 12.461 -18.905 -19.748 1.00 45.23 H new ATOM 0 HG LEU A 29 11.464 -16.604 -19.692 1.00 74.23 H new ATOM 0 HD11 LEU A 29 12.696 -14.844 -18.488 1.00 71.02 H new ATOM 0 HD12 LEU A 29 11.990 -16.037 -17.372 1.00 71.02 H new ATOM 0 HD13 LEU A 29 13.730 -16.084 -17.741 1.00 71.02 H new ATOM 0 HD21 LEU A 29 13.406 -15.517 -20.752 1.00 73.41 H new ATOM 0 HD22 LEU A 29 14.468 -16.785 -20.095 1.00 73.41 H new ATOM 0 HD23 LEU A 29 13.218 -17.203 -21.290 1.00 73.41 H new ATOM 436 N ARG A 30 9.617 -18.515 -19.465 1.00 74.50 N ATOM 437 CA ARG A 30 8.339 -18.029 -19.972 1.00 43.02 C ATOM 438 C ARG A 30 7.211 -18.342 -18.994 1.00 31.40 C ATOM 439 O ARG A 30 6.243 -17.589 -18.884 1.00 71.15 O ATOM 440 CB ARG A 30 8.036 -18.655 -21.335 1.00 12.41 C ATOM 441 CG ARG A 30 7.592 -20.106 -21.253 1.00 51.04 C ATOM 442 CD ARG A 30 6.077 -20.222 -21.185 1.00 22.22 C ATOM 443 NE ARG A 30 5.599 -21.486 -21.740 1.00 45.54 N ATOM 444 CZ ARG A 30 5.563 -21.749 -23.042 1.00 1.11 C ATOM 445 NH1 ARG A 30 5.975 -20.842 -23.917 1.00 14.20 N ATOM 446 NH2 ARG A 30 5.115 -22.922 -23.470 1.00 71.04 N ATOM 0 H ARG A 30 10.096 -19.168 -20.085 1.00 74.50 H new ATOM 0 HA ARG A 30 8.409 -16.947 -20.084 1.00 43.02 H new ATOM 0 HB2 ARG A 30 7.257 -18.073 -21.828 1.00 12.41 H new ATOM 0 HB3 ARG A 30 8.926 -18.591 -21.961 1.00 12.41 H new ATOM 0 HG2 ARG A 30 7.961 -20.650 -22.122 1.00 51.04 H new ATOM 0 HG3 ARG A 30 8.034 -20.574 -20.373 1.00 51.04 H new ATOM 0 HD2 ARG A 30 5.753 -20.136 -20.148 1.00 22.22 H new ATOM 0 HD3 ARG A 30 5.625 -19.393 -21.730 1.00 22.22 H new ATOM 0 HE ARG A 30 5.275 -22.205 -21.093 1.00 45.54 H new ATOM 0 HH11 ARG A 30 6.321 -19.939 -23.591 1.00 14.20 H new ATOM 0 HH12 ARG A 30 5.946 -21.047 -24.916 1.00 14.20 H new ATOM 0 HH21 ARG A 30 4.798 -23.622 -22.800 1.00 71.04 H new ATOM 0 HH22 ARG A 30 5.087 -23.124 -24.470 1.00 71.04 H new ATOM 460 N HIS A 31 7.342 -19.459 -18.285 1.00 63.22 N ATOM 461 CA HIS A 31 6.334 -19.872 -17.316 1.00 32.52 C ATOM 462 C HIS A 31 6.241 -18.872 -16.168 1.00 4.22 C ATOM 463 O HIS A 31 5.212 -18.223 -15.977 1.00 64.33 O ATOM 464 CB HIS A 31 6.660 -21.263 -16.770 1.00 72.25 C ATOM 465 CG HIS A 31 5.797 -22.347 -17.339 1.00 72.12 C ATOM 466 ND1 HIS A 31 4.423 -22.252 -17.419 1.00 5.31 N ATOM 467 CD2 HIS A 31 6.119 -23.554 -17.860 1.00 24.24 C ATOM 468 CE1 HIS A 31 3.939 -23.354 -17.962 1.00 55.11 C ATOM 469 NE2 HIS A 31 4.947 -24.160 -18.239 1.00 62.52 N ATOM 0 H HIS A 31 8.136 -20.094 -18.364 1.00 63.22 H new ATOM 0 HA HIS A 31 5.370 -19.906 -17.824 1.00 32.52 H new ATOM 0 HB2 HIS A 31 7.704 -21.492 -16.982 1.00 72.25 H new ATOM 0 HB3 HIS A 31 6.550 -21.254 -15.686 1.00 72.25 H new ATOM 0 HD2 HIS A 31 7.113 -23.964 -17.959 1.00 24.24 H new ATOM 0 HE1 HIS A 31 2.895 -23.561 -18.148 1.00 55.11 H new ATOM 0 HE2 HIS A 31 4.868 -25.083 -18.665 1.00 62.52 H new ATOM 477 N VAL A 32 7.323 -18.752 -15.405 1.00 3.11 N ATOM 478 CA VAL A 32 7.364 -17.830 -14.276 1.00 25.30 C ATOM 479 C VAL A 32 6.904 -16.436 -14.687 1.00 63.35 C ATOM 480 O VAL A 32 6.274 -15.724 -13.907 1.00 34.33 O ATOM 481 CB VAL A 32 8.782 -17.736 -13.680 1.00 15.12 C ATOM 482 CG1 VAL A 32 8.782 -16.854 -12.441 1.00 1.52 C ATOM 483 CG2 VAL A 32 9.317 -19.123 -13.357 1.00 14.11 C ATOM 0 H VAL A 32 8.183 -19.282 -15.548 1.00 3.11 H new ATOM 0 HA VAL A 32 6.685 -18.225 -13.520 1.00 25.30 H new ATOM 0 HB VAL A 32 9.440 -17.281 -14.421 1.00 15.12 H new ATOM 0 HG11 VAL A 32 9.791 -16.799 -12.033 1.00 1.52 H new ATOM 0 HG12 VAL A 32 8.443 -15.853 -12.707 1.00 1.52 H new ATOM 0 HG13 VAL A 32 8.111 -17.277 -11.693 1.00 1.52 H new ATOM 0 HG21 VAL A 32 10.319 -19.038 -12.937 1.00 14.11 H new ATOM 0 HG22 VAL A 32 8.661 -19.607 -12.634 1.00 14.11 H new ATOM 0 HG23 VAL A 32 9.355 -19.720 -14.268 1.00 14.11 H new ATOM 493 N MET A 33 7.224 -16.053 -15.919 1.00 70.33 N ATOM 494 CA MET A 33 6.841 -14.744 -16.436 1.00 24.24 C ATOM 495 C MET A 33 5.324 -14.623 -16.540 1.00 65.24 C ATOM 496 O MET A 33 4.719 -13.733 -15.943 1.00 0.15 O ATOM 497 CB MET A 33 7.480 -14.506 -17.805 1.00 73.04 C ATOM 498 CG MET A 33 8.999 -14.466 -17.769 1.00 52.33 C ATOM 499 SD MET A 33 9.661 -12.850 -18.218 1.00 65.03 S ATOM 500 CE MET A 33 10.510 -13.245 -19.745 1.00 43.33 C ATOM 0 H MET A 33 7.747 -16.630 -16.577 1.00 70.33 H new ATOM 0 HA MET A 33 7.200 -13.986 -15.740 1.00 24.24 H new ATOM 0 HB2 MET A 33 7.162 -15.294 -18.487 1.00 73.04 H new ATOM 0 HB3 MET A 33 7.110 -13.565 -18.211 1.00 73.04 H new ATOM 0 HG2 MET A 33 9.342 -14.730 -16.769 1.00 52.33 H new ATOM 0 HG3 MET A 33 9.395 -15.219 -18.451 1.00 52.33 H new ATOM 0 HE1 MET A 33 11.198 -12.438 -19.998 1.00 43.33 H new ATOM 0 HE2 MET A 33 11.068 -14.173 -19.621 1.00 43.33 H new ATOM 0 HE3 MET A 33 9.781 -13.365 -20.546 1.00 43.33 H new ATOM 510 N THR A 34 4.715 -15.524 -17.305 1.00 34.24 N ATOM 511 CA THR A 34 3.269 -15.517 -17.489 1.00 30.22 C ATOM 512 C THR A 34 2.544 -15.638 -16.153 1.00 71.14 C ATOM 513 O THR A 34 1.382 -15.254 -16.031 1.00 13.14 O ATOM 514 CB THR A 34 2.815 -16.663 -18.412 1.00 72.43 C ATOM 515 OG1 THR A 34 3.721 -17.767 -18.305 1.00 35.33 O ATOM 516 CG2 THR A 34 2.745 -16.197 -19.859 1.00 34.53 C ATOM 0 H THR A 34 5.201 -16.267 -17.807 1.00 34.24 H new ATOM 0 HA THR A 34 3.014 -14.564 -17.953 1.00 30.22 H new ATOM 0 HB THR A 34 1.820 -16.979 -18.099 1.00 72.43 H new ATOM 0 HG1 THR A 34 4.507 -17.601 -18.866 1.00 35.33 H new ATOM 0 HG21 THR A 34 2.422 -17.023 -20.492 1.00 34.53 H new ATOM 0 HG22 THR A 34 2.033 -15.376 -19.943 1.00 34.53 H new ATOM 0 HG23 THR A 34 3.730 -15.857 -20.180 1.00 34.53 H new ATOM 524 N ASN A 35 3.238 -16.174 -15.155 1.00 2.03 N ATOM 525 CA ASN A 35 2.659 -16.345 -13.827 1.00 65.21 C ATOM 526 C ASN A 35 2.785 -15.063 -13.009 1.00 64.33 C ATOM 527 O ASN A 35 1.784 -14.445 -12.645 1.00 61.14 O ATOM 528 CB ASN A 35 3.345 -17.500 -13.094 1.00 72.33 C ATOM 529 CG ASN A 35 2.367 -18.337 -12.291 1.00 43.25 C ATOM 530 OD1 ASN A 35 1.302 -18.710 -12.784 1.00 25.23 O ATOM 531 ND2 ASN A 35 2.726 -18.635 -11.048 1.00 50.01 N ATOM 0 H ASN A 35 4.202 -16.497 -15.240 1.00 2.03 H new ATOM 0 HA ASN A 35 1.601 -16.576 -13.946 1.00 65.21 H new ATOM 0 HB2 ASN A 35 3.854 -18.136 -13.819 1.00 72.33 H new ATOM 0 HB3 ASN A 35 4.110 -17.101 -12.428 1.00 72.33 H new ATOM 0 HD21 ASN A 35 2.109 -19.195 -10.459 1.00 50.01 H new ATOM 0 HD22 ASN A 35 3.619 -18.304 -10.682 1.00 50.01 H new ATOM 538 N LEU A 36 4.021 -14.669 -12.724 1.00 65.23 N ATOM 539 CA LEU A 36 4.280 -13.460 -11.950 1.00 34.01 C ATOM 540 C LEU A 36 3.557 -12.261 -12.556 1.00 4.11 C ATOM 541 O LEU A 36 2.685 -11.665 -11.925 1.00 42.13 O ATOM 542 CB LEU A 36 5.783 -13.184 -11.883 1.00 73.45 C ATOM 543 CG LEU A 36 6.449 -13.419 -10.527 1.00 53.51 C ATOM 544 CD1 LEU A 36 7.197 -14.742 -10.521 1.00 64.34 C ATOM 545 CD2 LEU A 36 7.389 -12.271 -10.189 1.00 52.44 C ATOM 0 H LEU A 36 4.860 -15.169 -13.017 1.00 65.23 H new ATOM 0 HA LEU A 36 3.902 -13.617 -10.940 1.00 34.01 H new ATOM 0 HB2 LEU A 36 6.280 -13.811 -12.623 1.00 73.45 H new ATOM 0 HB3 LEU A 36 5.955 -12.148 -12.175 1.00 73.45 H new ATOM 0 HG LEU A 36 5.671 -13.462 -9.765 1.00 53.51 H new ATOM 0 HD11 LEU A 36 7.664 -14.891 -9.548 1.00 64.34 H new ATOM 0 HD12 LEU A 36 6.499 -15.556 -10.717 1.00 64.34 H new ATOM 0 HD13 LEU A 36 7.965 -14.729 -11.294 1.00 64.34 H new ATOM 0 HD21 LEU A 36 7.854 -12.455 -9.221 1.00 52.44 H new ATOM 0 HD22 LEU A 36 8.161 -12.196 -10.954 1.00 52.44 H new ATOM 0 HD23 LEU A 36 6.825 -11.339 -10.150 1.00 52.44 H new ATOM 557 N GLY A 37 3.926 -11.914 -13.785 1.00 40.34 N ATOM 558 CA GLY A 37 3.302 -10.789 -14.457 1.00 1.30 C ATOM 559 C GLY A 37 1.866 -11.073 -14.852 1.00 3.35 C ATOM 560 O GLY A 37 1.405 -12.210 -14.761 1.00 50.21 O ATOM 0 H GLY A 37 4.646 -12.392 -14.327 1.00 40.34 H new ATOM 0 HA2 GLY A 37 3.330 -9.918 -13.802 1.00 1.30 H new ATOM 0 HA3 GLY A 37 3.878 -10.537 -15.348 1.00 1.30 H new ATOM 564 N GLU A 38 1.158 -10.036 -15.289 1.00 22.02 N ATOM 565 CA GLU A 38 -0.235 -10.180 -15.696 1.00 24.42 C ATOM 566 C GLU A 38 -0.353 -11.082 -16.921 1.00 43.24 C ATOM 567 O GLU A 38 0.646 -11.591 -17.431 1.00 10.22 O ATOM 568 CB GLU A 38 -0.846 -8.810 -15.996 1.00 30.20 C ATOM 569 CG GLU A 38 -1.166 -8.000 -14.751 1.00 30.53 C ATOM 570 CD GLU A 38 -2.653 -7.760 -14.577 1.00 72.32 C ATOM 571 OE1 GLU A 38 -3.319 -8.603 -13.939 1.00 1.40 O ATOM 572 OE2 GLU A 38 -3.151 -6.731 -15.079 1.00 72.33 O ATOM 0 H GLU A 38 1.526 -9.088 -15.370 1.00 22.02 H new ATOM 0 HA GLU A 38 -0.782 -10.641 -14.873 1.00 24.42 H new ATOM 0 HB2 GLU A 38 -0.156 -8.243 -16.621 1.00 30.20 H new ATOM 0 HB3 GLU A 38 -1.760 -8.948 -16.574 1.00 30.20 H new ATOM 0 HG2 GLU A 38 -0.781 -8.521 -13.874 1.00 30.53 H new ATOM 0 HG3 GLU A 38 -0.651 -7.041 -14.804 1.00 30.53 H new ATOM 579 N LYS A 39 -1.581 -11.275 -17.390 1.00 21.41 N ATOM 580 CA LYS A 39 -1.832 -12.114 -18.556 1.00 32.33 C ATOM 581 C LYS A 39 -1.516 -11.363 -19.845 1.00 14.30 C ATOM 582 O LYS A 39 -2.388 -10.718 -20.429 1.00 74.24 O ATOM 583 CB LYS A 39 -3.289 -12.581 -18.569 1.00 34.40 C ATOM 584 CG LYS A 39 -3.725 -13.253 -17.278 1.00 64.21 C ATOM 585 CD LYS A 39 -5.203 -13.604 -17.303 1.00 62.30 C ATOM 586 CE LYS A 39 -5.423 -15.101 -17.148 1.00 63.32 C ATOM 587 NZ LYS A 39 -6.674 -15.550 -17.820 1.00 23.53 N ATOM 0 H LYS A 39 -2.419 -10.862 -16.980 1.00 21.41 H new ATOM 0 HA LYS A 39 -1.178 -12.984 -18.494 1.00 32.33 H new ATOM 0 HB2 LYS A 39 -3.935 -11.723 -18.758 1.00 34.40 H new ATOM 0 HB3 LYS A 39 -3.431 -13.276 -19.396 1.00 34.40 H new ATOM 0 HG2 LYS A 39 -3.138 -14.158 -17.122 1.00 64.21 H new ATOM 0 HG3 LYS A 39 -3.521 -12.592 -16.436 1.00 64.21 H new ATOM 0 HD2 LYS A 39 -5.717 -13.075 -16.501 1.00 62.30 H new ATOM 0 HD3 LYS A 39 -5.643 -13.266 -18.241 1.00 62.30 H new ATOM 0 HE2 LYS A 39 -4.572 -15.638 -17.567 1.00 63.32 H new ATOM 0 HE3 LYS A 39 -5.469 -15.354 -16.089 1.00 63.32 H new ATOM 0 HZ1 LYS A 39 -6.788 -16.576 -17.692 1.00 23.53 H new ATOM 0 HZ2 LYS A 39 -7.489 -15.056 -17.403 1.00 23.53 H new ATOM 0 HZ3 LYS A 39 -6.620 -15.332 -18.835 1.00 23.53 H new ATOM 601 N LEU A 40 -0.266 -11.451 -20.284 1.00 42.43 N ATOM 602 CA LEU A 40 0.165 -10.780 -21.506 1.00 53.12 C ATOM 603 C LEU A 40 -0.015 -11.688 -22.718 1.00 61.33 C ATOM 604 O LEU A 40 -0.412 -12.847 -22.587 1.00 2.31 O ATOM 605 CB LEU A 40 1.628 -10.352 -21.388 1.00 5.22 C ATOM 606 CG LEU A 40 2.052 -9.774 -20.037 1.00 34.13 C ATOM 607 CD1 LEU A 40 3.536 -9.442 -20.039 1.00 73.04 C ATOM 608 CD2 LEU A 40 1.228 -8.539 -19.703 1.00 75.11 C ATOM 0 H LEU A 40 0.467 -11.980 -19.812 1.00 42.43 H new ATOM 0 HA LEU A 40 -0.456 -9.895 -21.643 1.00 53.12 H new ATOM 0 HB2 LEU A 40 2.257 -11.216 -21.604 1.00 5.22 H new ATOM 0 HB3 LEU A 40 1.831 -9.608 -22.159 1.00 5.22 H new ATOM 0 HG LEU A 40 1.871 -10.526 -19.269 1.00 34.13 H new ATOM 0 HD11 LEU A 40 3.818 -9.032 -19.069 1.00 73.04 H new ATOM 0 HD12 LEU A 40 4.111 -10.348 -20.232 1.00 73.04 H new ATOM 0 HD13 LEU A 40 3.744 -8.708 -20.818 1.00 73.04 H new ATOM 0 HD21 LEU A 40 1.543 -8.141 -18.738 1.00 75.11 H new ATOM 0 HD22 LEU A 40 1.377 -7.783 -20.474 1.00 75.11 H new ATOM 0 HD23 LEU A 40 0.173 -8.807 -19.657 1.00 75.11 H new ATOM 620 N THR A 41 0.282 -11.156 -23.900 1.00 1.12 N ATOM 621 CA THR A 41 0.155 -11.918 -25.135 1.00 73.23 C ATOM 622 C THR A 41 1.431 -12.696 -25.436 1.00 11.04 C ATOM 623 O THR A 41 2.527 -12.274 -25.067 1.00 23.41 O ATOM 624 CB THR A 41 -0.167 -11.001 -26.330 1.00 74.34 C ATOM 625 OG1 THR A 41 0.941 -10.134 -26.595 1.00 60.44 O ATOM 626 CG2 THR A 41 -1.412 -10.172 -26.056 1.00 14.42 C ATOM 0 H THR A 41 0.612 -10.199 -24.027 1.00 1.12 H new ATOM 0 HA THR A 41 -0.668 -12.618 -24.991 1.00 73.23 H new ATOM 0 HB THR A 41 -0.353 -11.629 -27.201 1.00 74.34 H new ATOM 0 HG1 THR A 41 0.729 -9.556 -27.357 1.00 60.44 H new ATOM 0 HG21 THR A 41 -1.619 -9.532 -26.914 1.00 14.42 H new ATOM 0 HG22 THR A 41 -2.260 -10.835 -25.884 1.00 14.42 H new ATOM 0 HG23 THR A 41 -1.250 -9.554 -25.173 1.00 14.42 H new ATOM 634 N ASP A 42 1.281 -13.832 -26.107 1.00 23.40 N ATOM 635 CA ASP A 42 2.423 -14.669 -26.459 1.00 1.34 C ATOM 636 C ASP A 42 3.455 -13.874 -27.253 1.00 55.13 C ATOM 637 O ASP A 42 4.644 -14.188 -27.232 1.00 1.45 O ATOM 638 CB ASP A 42 1.963 -15.883 -27.267 1.00 43.00 C ATOM 639 CG ASP A 42 1.447 -15.502 -28.641 1.00 33.25 C ATOM 640 OD1 ASP A 42 0.354 -14.902 -28.718 1.00 25.22 O ATOM 641 OD2 ASP A 42 2.134 -15.805 -29.638 1.00 44.14 O ATOM 0 H ASP A 42 0.380 -14.195 -26.418 1.00 23.40 H new ATOM 0 HA ASP A 42 2.889 -15.013 -25.535 1.00 1.34 H new ATOM 0 HB2 ASP A 42 2.794 -16.580 -27.375 1.00 43.00 H new ATOM 0 HB3 ASP A 42 1.178 -16.404 -26.719 1.00 43.00 H new ATOM 646 N GLU A 43 2.989 -12.845 -27.955 1.00 2.24 N ATOM 647 CA GLU A 43 3.872 -12.007 -28.758 1.00 10.03 C ATOM 648 C GLU A 43 4.747 -11.129 -27.868 1.00 14.43 C ATOM 649 O GLU A 43 5.949 -10.999 -28.096 1.00 32.30 O ATOM 650 CB GLU A 43 3.054 -11.132 -29.710 1.00 62.43 C ATOM 651 CG GLU A 43 3.112 -11.591 -31.158 1.00 14.41 C ATOM 652 CD GLU A 43 3.748 -10.561 -32.071 1.00 55.41 C ATOM 653 OE1 GLU A 43 4.846 -10.069 -31.736 1.00 15.23 O ATOM 654 OE2 GLU A 43 3.148 -10.246 -33.120 1.00 71.12 O ATOM 0 H GLU A 43 2.007 -12.572 -27.984 1.00 2.24 H new ATOM 0 HA GLU A 43 4.519 -12.661 -29.342 1.00 10.03 H new ATOM 0 HB2 GLU A 43 2.015 -11.125 -29.381 1.00 62.43 H new ATOM 0 HB3 GLU A 43 3.415 -10.106 -29.648 1.00 62.43 H new ATOM 0 HG2 GLU A 43 3.676 -12.522 -31.218 1.00 14.41 H new ATOM 0 HG3 GLU A 43 2.102 -11.807 -31.508 1.00 14.41 H new ATOM 661 N GLU A 44 4.133 -10.527 -26.853 1.00 71.23 N ATOM 662 CA GLU A 44 4.855 -9.660 -25.930 1.00 44.01 C ATOM 663 C GLU A 44 5.941 -10.437 -25.191 1.00 1.31 C ATOM 664 O GLU A 44 7.044 -9.933 -24.977 1.00 30.11 O ATOM 665 CB GLU A 44 3.889 -9.031 -24.925 1.00 11.44 C ATOM 666 CG GLU A 44 4.037 -7.523 -24.800 1.00 33.52 C ATOM 667 CD GLU A 44 2.969 -6.767 -25.566 1.00 71.21 C ATOM 668 OE1 GLU A 44 1.821 -6.703 -25.079 1.00 2.24 O ATOM 669 OE2 GLU A 44 3.282 -6.239 -26.654 1.00 30.22 O ATOM 0 H GLU A 44 3.138 -10.624 -26.650 1.00 71.23 H new ATOM 0 HA GLU A 44 5.329 -8.869 -26.511 1.00 44.01 H new ATOM 0 HB2 GLU A 44 2.866 -9.264 -25.222 1.00 11.44 H new ATOM 0 HB3 GLU A 44 4.048 -9.486 -23.947 1.00 11.44 H new ATOM 0 HG2 GLU A 44 3.991 -7.243 -23.748 1.00 33.52 H new ATOM 0 HG3 GLU A 44 5.020 -7.226 -25.166 1.00 33.52 H new ATOM 676 N VAL A 45 5.620 -11.667 -24.802 1.00 42.25 N ATOM 677 CA VAL A 45 6.567 -12.514 -24.088 1.00 22.33 C ATOM 678 C VAL A 45 7.786 -12.825 -24.949 1.00 73.15 C ATOM 679 O VAL A 45 8.894 -12.992 -24.439 1.00 74.01 O ATOM 680 CB VAL A 45 5.914 -13.837 -23.646 1.00 33.24 C ATOM 681 CG1 VAL A 45 6.869 -14.640 -22.775 1.00 55.21 C ATOM 682 CG2 VAL A 45 4.609 -13.567 -22.912 1.00 31.23 C ATOM 0 H VAL A 45 4.711 -12.099 -24.970 1.00 42.25 H new ATOM 0 HA VAL A 45 6.883 -11.959 -23.204 1.00 22.33 H new ATOM 0 HB VAL A 45 5.690 -14.426 -24.535 1.00 33.24 H new ATOM 0 HG11 VAL A 45 6.390 -15.571 -22.473 1.00 55.21 H new ATOM 0 HG12 VAL A 45 7.774 -14.864 -23.339 1.00 55.21 H new ATOM 0 HG13 VAL A 45 7.128 -14.061 -21.889 1.00 55.21 H new ATOM 0 HG21 VAL A 45 4.161 -14.513 -22.607 1.00 31.23 H new ATOM 0 HG22 VAL A 45 4.807 -12.958 -22.030 1.00 31.23 H new ATOM 0 HG23 VAL A 45 3.923 -13.037 -23.573 1.00 31.23 H new ATOM 692 N ASP A 46 7.574 -12.901 -26.259 1.00 15.04 N ATOM 693 CA ASP A 46 8.655 -13.190 -27.193 1.00 62.30 C ATOM 694 C ASP A 46 9.811 -12.212 -27.006 1.00 53.14 C ATOM 695 O ASP A 46 10.960 -12.619 -26.840 1.00 32.21 O ATOM 696 CB ASP A 46 8.144 -13.127 -28.633 1.00 43.32 C ATOM 697 CG ASP A 46 8.917 -14.042 -29.562 1.00 74.44 C ATOM 698 OD1 ASP A 46 9.404 -15.091 -29.091 1.00 73.13 O ATOM 699 OD2 ASP A 46 9.035 -13.710 -30.761 1.00 13.14 O ATOM 0 H ASP A 46 6.663 -12.766 -26.697 1.00 15.04 H new ATOM 0 HA ASP A 46 9.019 -14.197 -26.989 1.00 62.30 H new ATOM 0 HB2 ASP A 46 7.089 -13.400 -28.653 1.00 43.32 H new ATOM 0 HB3 ASP A 46 8.215 -12.102 -28.996 1.00 43.32 H new ATOM 704 N GLU A 47 9.497 -10.920 -27.037 1.00 32.43 N ATOM 705 CA GLU A 47 10.510 -9.885 -26.873 1.00 1.22 C ATOM 706 C GLU A 47 11.063 -9.885 -25.451 1.00 2.05 C ATOM 707 O GLU A 47 12.239 -9.594 -25.231 1.00 34.45 O ATOM 708 CB GLU A 47 9.925 -8.510 -27.204 1.00 33.42 C ATOM 709 CG GLU A 47 10.902 -7.366 -26.995 1.00 63.13 C ATOM 710 CD GLU A 47 10.744 -6.703 -25.641 1.00 53.41 C ATOM 711 OE1 GLU A 47 9.629 -6.227 -25.339 1.00 61.45 O ATOM 712 OE2 GLU A 47 11.735 -6.659 -24.883 1.00 1.02 O ATOM 0 H GLU A 47 8.550 -10.566 -27.174 1.00 32.43 H new ATOM 0 HA GLU A 47 11.327 -10.100 -27.562 1.00 1.22 H new ATOM 0 HB2 GLU A 47 9.592 -8.507 -28.242 1.00 33.42 H new ATOM 0 HB3 GLU A 47 9.043 -8.341 -26.585 1.00 33.42 H new ATOM 0 HG2 GLU A 47 11.921 -7.741 -27.095 1.00 63.13 H new ATOM 0 HG3 GLU A 47 10.757 -6.622 -27.779 1.00 63.13 H new ATOM 719 N MET A 48 10.206 -10.213 -24.489 1.00 4.42 N ATOM 720 CA MET A 48 10.609 -10.251 -23.088 1.00 21.32 C ATOM 721 C MET A 48 11.813 -11.168 -22.893 1.00 73.11 C ATOM 722 O MET A 48 12.778 -10.805 -22.221 1.00 22.34 O ATOM 723 CB MET A 48 9.446 -10.725 -22.214 1.00 2.44 C ATOM 724 CG MET A 48 8.710 -9.592 -21.516 1.00 24.22 C ATOM 725 SD MET A 48 7.972 -10.103 -19.952 1.00 5.01 S ATOM 726 CE MET A 48 9.175 -9.468 -18.787 1.00 0.54 C ATOM 0 H MET A 48 9.229 -10.456 -24.654 1.00 4.42 H new ATOM 0 HA MET A 48 10.891 -9.241 -22.789 1.00 21.32 H new ATOM 0 HB2 MET A 48 8.740 -11.280 -22.832 1.00 2.44 H new ATOM 0 HB3 MET A 48 9.825 -11.418 -21.463 1.00 2.44 H new ATOM 0 HG2 MET A 48 9.403 -8.771 -21.335 1.00 24.22 H new ATOM 0 HG3 MET A 48 7.929 -9.211 -22.174 1.00 24.22 H new ATOM 0 HE1 MET A 48 8.859 -9.706 -17.771 1.00 0.54 H new ATOM 0 HE2 MET A 48 10.146 -9.925 -18.981 1.00 0.54 H new ATOM 0 HE3 MET A 48 9.254 -8.387 -18.899 1.00 0.54 H new ATOM 736 N ILE A 49 11.748 -12.356 -23.485 1.00 12.10 N ATOM 737 CA ILE A 49 12.833 -13.323 -23.377 1.00 31.14 C ATOM 738 C ILE A 49 14.067 -12.852 -24.138 1.00 4.13 C ATOM 739 O ILE A 49 15.189 -13.257 -23.833 1.00 62.10 O ATOM 740 CB ILE A 49 12.411 -14.705 -23.910 1.00 51.23 C ATOM 741 CG1 ILE A 49 11.172 -15.206 -23.166 1.00 73.42 C ATOM 742 CG2 ILE A 49 13.556 -15.698 -23.774 1.00 14.54 C ATOM 743 CD1 ILE A 49 10.571 -16.457 -23.768 1.00 73.30 C ATOM 0 H ILE A 49 10.955 -12.672 -24.044 1.00 12.10 H new ATOM 0 HA ILE A 49 13.074 -13.410 -22.317 1.00 31.14 H new ATOM 0 HB ILE A 49 12.163 -14.610 -24.967 1.00 51.23 H new ATOM 0 HG12 ILE A 49 11.437 -15.403 -22.127 1.00 73.42 H new ATOM 0 HG13 ILE A 49 10.419 -14.418 -23.159 1.00 73.42 H new ATOM 0 HG21 ILE A 49 13.242 -16.670 -24.155 1.00 14.54 H new ATOM 0 HG22 ILE A 49 14.414 -15.344 -24.345 1.00 14.54 H new ATOM 0 HG23 ILE A 49 13.833 -15.792 -22.724 1.00 14.54 H new ATOM 0 HD11 ILE A 49 9.696 -16.755 -23.190 1.00 73.30 H new ATOM 0 HD12 ILE A 49 10.275 -16.259 -24.798 1.00 73.30 H new ATOM 0 HD13 ILE A 49 11.308 -17.260 -23.751 1.00 73.30 H new ATOM 755 N ARG A 50 13.853 -11.992 -25.128 1.00 73.23 N ATOM 756 CA ARG A 50 14.948 -11.465 -25.933 1.00 10.30 C ATOM 757 C ARG A 50 15.956 -10.723 -25.060 1.00 12.21 C ATOM 758 O ARG A 50 17.165 -10.873 -25.228 1.00 44.34 O ATOM 759 CB ARG A 50 14.409 -10.528 -27.016 1.00 34.51 C ATOM 760 CG ARG A 50 15.187 -10.593 -28.320 1.00 2.33 C ATOM 761 CD ARG A 50 14.409 -9.964 -29.465 1.00 31.11 C ATOM 762 NE ARG A 50 14.754 -10.560 -30.753 1.00 14.10 N ATOM 763 CZ ARG A 50 14.068 -10.343 -31.870 1.00 33.52 C ATOM 764 NH1 ARG A 50 13.006 -9.549 -31.856 1.00 62.25 N ATOM 765 NH2 ARG A 50 14.444 -10.922 -33.003 1.00 53.13 N ATOM 0 H ARG A 50 12.931 -11.645 -25.392 1.00 73.23 H new ATOM 0 HA ARG A 50 15.453 -12.306 -26.408 1.00 10.30 H new ATOM 0 HB2 ARG A 50 13.366 -10.776 -27.212 1.00 34.51 H new ATOM 0 HB3 ARG A 50 14.429 -9.504 -26.642 1.00 34.51 H new ATOM 0 HG2 ARG A 50 16.141 -10.079 -28.202 1.00 2.33 H new ATOM 0 HG3 ARG A 50 15.412 -11.632 -28.559 1.00 2.33 H new ATOM 0 HD2 ARG A 50 13.340 -10.082 -29.285 1.00 31.11 H new ATOM 0 HD3 ARG A 50 14.611 -8.893 -29.495 1.00 31.11 H new ATOM 0 HE ARG A 50 15.566 -11.176 -30.797 1.00 14.10 H new ATOM 0 HH11 ARG A 50 12.714 -9.103 -30.986 1.00 62.25 H new ATOM 0 HH12 ARG A 50 12.481 -9.384 -32.715 1.00 62.25 H new ATOM 0 HH21 ARG A 50 15.260 -11.534 -33.017 1.00 53.13 H new ATOM 0 HH22 ARG A 50 13.917 -10.755 -33.860 1.00 53.13 H new ATOM 779 N GLU A 51 15.448 -9.923 -24.128 1.00 14.41 N ATOM 780 CA GLU A 51 16.304 -9.157 -23.230 1.00 0.30 C ATOM 781 C GLU A 51 16.875 -10.048 -22.130 1.00 54.15 C ATOM 782 O GLU A 51 18.090 -10.162 -21.978 1.00 3.13 O ATOM 783 CB GLU A 51 15.522 -7.998 -22.608 1.00 33.10 C ATOM 784 CG GLU A 51 15.834 -6.648 -23.232 1.00 75.45 C ATOM 785 CD GLU A 51 16.883 -5.876 -22.458 1.00 1.44 C ATOM 786 OE1 GLU A 51 16.610 -5.506 -21.296 1.00 53.24 O ATOM 787 OE2 GLU A 51 17.977 -5.640 -23.012 1.00 20.33 O ATOM 0 H GLU A 51 14.449 -9.789 -23.975 1.00 14.41 H new ATOM 0 HA GLU A 51 17.132 -8.755 -23.814 1.00 0.30 H new ATOM 0 HB2 GLU A 51 14.455 -8.196 -22.707 1.00 33.10 H new ATOM 0 HB3 GLU A 51 15.741 -7.955 -21.541 1.00 33.10 H new ATOM 0 HG2 GLU A 51 16.179 -6.796 -24.255 1.00 75.45 H new ATOM 0 HG3 GLU A 51 14.920 -6.057 -23.286 1.00 75.45 H new ATOM 794 N ALA A 52 15.987 -10.677 -21.367 1.00 2.01 N ATOM 795 CA ALA A 52 16.401 -11.559 -20.283 1.00 3.23 C ATOM 796 C ALA A 52 17.403 -12.599 -20.773 1.00 73.01 C ATOM 797 O ALA A 52 18.520 -12.688 -20.263 1.00 52.35 O ATOM 798 CB ALA A 52 15.189 -12.240 -19.665 1.00 24.34 C ATOM 0 H ALA A 52 14.977 -10.592 -21.480 1.00 2.01 H new ATOM 0 HA ALA A 52 16.891 -10.953 -19.521 1.00 3.23 H new ATOM 0 HB1 ALA A 52 15.513 -12.896 -18.857 1.00 24.34 H new ATOM 0 HB2 ALA A 52 14.510 -11.485 -19.270 1.00 24.34 H new ATOM 0 HB3 ALA A 52 14.675 -12.828 -20.425 1.00 24.34 H new ATOM 804 N ASP A 53 16.995 -13.384 -21.764 1.00 62.31 N ATOM 805 CA ASP A 53 17.857 -14.419 -22.324 1.00 4.23 C ATOM 806 C ASP A 53 18.352 -14.022 -23.711 1.00 71.13 C ATOM 807 O ASP A 53 17.567 -13.917 -24.654 1.00 14.21 O ATOM 808 CB ASP A 53 17.110 -15.751 -22.397 1.00 31.23 C ATOM 809 CG ASP A 53 18.018 -16.904 -22.776 1.00 20.42 C ATOM 810 OD1 ASP A 53 19.244 -16.785 -22.572 1.00 61.31 O ATOM 811 OD2 ASP A 53 17.503 -17.926 -23.277 1.00 13.10 O ATOM 0 H ASP A 53 16.073 -13.324 -22.196 1.00 62.31 H new ATOM 0 HA ASP A 53 18.720 -14.532 -21.668 1.00 4.23 H new ATOM 0 HB2 ASP A 53 16.648 -15.958 -21.432 1.00 31.23 H new ATOM 0 HB3 ASP A 53 16.304 -15.673 -23.126 1.00 31.23 H new ATOM 816 N ILE A 54 19.657 -13.802 -23.828 1.00 61.52 N ATOM 817 CA ILE A 54 20.255 -13.417 -25.100 1.00 65.43 C ATOM 818 C ILE A 54 19.863 -14.388 -26.209 1.00 20.43 C ATOM 819 O ILE A 54 19.972 -15.604 -26.050 1.00 62.43 O ATOM 820 CB ILE A 54 21.791 -13.358 -25.005 1.00 25.50 C ATOM 821 CG1 ILE A 54 22.219 -12.368 -23.920 1.00 23.21 C ATOM 822 CG2 ILE A 54 22.391 -12.972 -26.349 1.00 1.13 C ATOM 823 CD1 ILE A 54 23.660 -12.531 -23.487 1.00 54.33 C ATOM 0 H ILE A 54 20.320 -13.884 -23.057 1.00 61.52 H new ATOM 0 HA ILE A 54 19.875 -12.424 -25.339 1.00 65.43 H new ATOM 0 HB ILE A 54 22.162 -14.347 -24.735 1.00 25.50 H new ATOM 0 HG12 ILE A 54 22.071 -11.352 -24.287 1.00 23.21 H new ATOM 0 HG13 ILE A 54 21.571 -12.490 -23.052 1.00 23.21 H new ATOM 0 HG21 ILE A 54 23.477 -12.935 -26.265 1.00 1.13 H new ATOM 0 HG22 ILE A 54 22.110 -13.712 -27.099 1.00 1.13 H new ATOM 0 HG23 ILE A 54 22.016 -11.993 -26.647 1.00 1.13 H new ATOM 0 HD11 ILE A 54 23.894 -11.797 -22.716 1.00 54.33 H new ATOM 0 HD12 ILE A 54 23.809 -13.535 -23.089 1.00 54.33 H new ATOM 0 HD13 ILE A 54 24.317 -12.379 -24.344 1.00 54.33 H new ATOM 835 N ASP A 55 19.408 -13.843 -27.331 1.00 75.22 N ATOM 836 CA ASP A 55 19.001 -14.661 -28.468 1.00 43.23 C ATOM 837 C ASP A 55 20.139 -15.573 -28.916 1.00 21.24 C ATOM 838 O ASP A 55 21.311 -15.211 -28.825 1.00 3.14 O ATOM 839 CB ASP A 55 18.557 -13.771 -29.631 1.00 23.34 C ATOM 840 CG ASP A 55 17.239 -14.219 -30.232 1.00 4.24 C ATOM 841 OD1 ASP A 55 17.059 -15.439 -30.423 1.00 22.52 O ATOM 842 OD2 ASP A 55 16.389 -13.348 -30.512 1.00 35.44 O ATOM 0 H ASP A 55 19.311 -12.838 -27.478 1.00 75.22 H new ATOM 0 HA ASP A 55 18.162 -15.283 -28.155 1.00 43.23 H new ATOM 0 HB2 ASP A 55 18.463 -12.742 -29.282 1.00 23.34 H new ATOM 0 HB3 ASP A 55 19.326 -13.777 -30.403 1.00 23.34 H new ATOM 847 N GLY A 56 19.784 -16.760 -29.399 1.00 24.25 N ATOM 848 CA GLY A 56 20.787 -17.707 -29.851 1.00 41.45 C ATOM 849 C GLY A 56 20.873 -18.930 -28.961 1.00 63.43 C ATOM 850 O GLY A 56 21.965 -19.418 -28.669 1.00 23.11 O ATOM 0 H GLY A 56 18.820 -17.083 -29.485 1.00 24.25 H new ATOM 0 HA2 GLY A 56 20.555 -18.018 -30.870 1.00 41.45 H new ATOM 0 HA3 GLY A 56 21.759 -17.215 -29.882 1.00 41.45 H new ATOM 854 N ASP A 57 19.720 -19.427 -28.528 1.00 31.11 N ATOM 855 CA ASP A 57 19.669 -20.601 -27.665 1.00 23.42 C ATOM 856 C ASP A 57 20.564 -20.417 -26.443 1.00 13.20 C ATOM 857 O ASP A 57 21.740 -20.776 -26.462 1.00 43.23 O ATOM 858 CB ASP A 57 20.095 -21.849 -28.440 1.00 70.31 C ATOM 859 CG ASP A 57 19.306 -22.032 -29.721 1.00 74.14 C ATOM 860 OD1 ASP A 57 18.074 -21.828 -29.694 1.00 35.41 O ATOM 861 OD2 ASP A 57 19.920 -22.378 -30.752 1.00 31.11 O ATOM 0 H ASP A 57 18.808 -19.035 -28.761 1.00 31.11 H new ATOM 0 HA ASP A 57 18.641 -20.727 -27.325 1.00 23.42 H new ATOM 0 HB2 ASP A 57 21.157 -21.781 -28.677 1.00 70.31 H new ATOM 0 HB3 ASP A 57 19.965 -22.728 -27.808 1.00 70.31 H new ATOM 866 N GLY A 58 19.997 -19.853 -25.380 1.00 50.15 N ATOM 867 CA GLY A 58 20.758 -19.629 -24.165 1.00 73.11 C ATOM 868 C GLY A 58 19.955 -19.929 -22.915 1.00 33.21 C ATOM 869 O GLY A 58 18.968 -20.663 -22.965 1.00 64.32 O ATOM 0 H GLY A 58 19.025 -19.548 -25.339 1.00 50.15 H new ATOM 0 HA2 GLY A 58 21.651 -20.254 -24.179 1.00 73.11 H new ATOM 0 HA3 GLY A 58 21.095 -18.593 -24.137 1.00 73.11 H new ATOM 873 N GLN A 59 20.379 -19.361 -21.791 1.00 32.34 N ATOM 874 CA GLN A 59 19.693 -19.575 -20.522 1.00 11.43 C ATOM 875 C GLN A 59 19.540 -18.263 -19.758 1.00 64.21 C ATOM 876 O GLN A 59 20.140 -17.250 -20.118 1.00 24.25 O ATOM 877 CB GLN A 59 20.457 -20.589 -19.669 1.00 71.10 C ATOM 878 CG GLN A 59 21.958 -20.349 -19.637 1.00 34.14 C ATOM 879 CD GLN A 59 22.702 -21.415 -18.857 1.00 44.21 C ATOM 880 OE1 GLN A 59 22.663 -21.442 -17.627 1.00 12.13 O ATOM 881 NE2 GLN A 59 23.387 -22.301 -19.571 1.00 3.32 N ATOM 0 H GLN A 59 21.193 -18.750 -21.733 1.00 32.34 H new ATOM 0 HA GLN A 59 18.699 -19.968 -20.737 1.00 11.43 H new ATOM 0 HB2 GLN A 59 20.071 -20.558 -18.650 1.00 71.10 H new ATOM 0 HB3 GLN A 59 20.266 -21.591 -20.052 1.00 71.10 H new ATOM 0 HG2 GLN A 59 22.339 -20.318 -20.658 1.00 34.14 H new ATOM 0 HG3 GLN A 59 22.157 -19.374 -19.193 1.00 34.14 H new ATOM 0 HE21 GLN A 59 23.392 -22.241 -20.589 1.00 3.32 H new ATOM 0 HE22 GLN A 59 23.908 -23.041 -19.101 1.00 3.32 H new ATOM 890 N VAL A 60 18.733 -18.289 -18.702 1.00 60.24 N ATOM 891 CA VAL A 60 18.502 -17.103 -17.887 1.00 50.33 C ATOM 892 C VAL A 60 19.293 -17.167 -16.586 1.00 21.43 C ATOM 893 O VAL A 60 19.213 -18.148 -15.847 1.00 41.12 O ATOM 894 CB VAL A 60 17.007 -16.930 -17.559 1.00 1.14 C ATOM 895 CG1 VAL A 60 16.762 -15.594 -16.874 1.00 33.12 C ATOM 896 CG2 VAL A 60 16.167 -17.054 -18.821 1.00 12.15 C ATOM 0 H VAL A 60 18.228 -19.119 -18.391 1.00 60.24 H new ATOM 0 HA VAL A 60 18.839 -16.247 -18.471 1.00 50.33 H new ATOM 0 HB VAL A 60 16.709 -17.723 -16.873 1.00 1.14 H new ATOM 0 HG11 VAL A 60 15.700 -15.489 -16.650 1.00 33.12 H new ATOM 0 HG12 VAL A 60 17.335 -15.550 -15.948 1.00 33.12 H new ATOM 0 HG13 VAL A 60 17.075 -14.784 -17.533 1.00 33.12 H new ATOM 0 HG21 VAL A 60 15.114 -16.929 -18.571 1.00 12.15 H new ATOM 0 HG22 VAL A 60 16.464 -16.284 -19.533 1.00 12.15 H new ATOM 0 HG23 VAL A 60 16.320 -18.038 -19.265 1.00 12.15 H new ATOM 906 N ASN A 61 20.057 -16.115 -16.311 1.00 60.10 N ATOM 907 CA ASN A 61 20.864 -16.052 -15.098 1.00 33.14 C ATOM 908 C ASN A 61 20.012 -15.648 -13.898 1.00 75.52 C ATOM 909 O ASN A 61 19.246 -14.686 -13.963 1.00 71.40 O ATOM 910 CB ASN A 61 22.015 -15.060 -15.276 1.00 72.25 C ATOM 911 CG ASN A 61 22.770 -15.279 -16.573 1.00 41.32 C ATOM 912 OD1 ASN A 61 22.993 -16.415 -16.991 1.00 32.21 O ATOM 913 ND2 ASN A 61 23.168 -14.188 -17.217 1.00 4.42 N ATOM 0 H ASN A 61 20.134 -15.294 -16.912 1.00 60.10 H new ATOM 0 HA ASN A 61 21.274 -17.045 -14.913 1.00 33.14 H new ATOM 0 HB2 ASN A 61 21.622 -14.044 -15.254 1.00 72.25 H new ATOM 0 HB3 ASN A 61 22.705 -15.153 -14.437 1.00 72.25 H new ATOM 0 HD21 ASN A 61 23.680 -14.272 -18.095 1.00 4.42 H new ATOM 0 HD22 ASN A 61 22.961 -13.266 -16.834 1.00 4.42 H new ATOM 920 N TYR A 62 20.150 -16.390 -12.805 1.00 5.32 N ATOM 921 CA TYR A 62 19.392 -16.111 -11.591 1.00 5.31 C ATOM 922 C TYR A 62 19.563 -14.656 -11.164 1.00 50.24 C ATOM 923 O TYR A 62 18.676 -14.072 -10.543 1.00 75.22 O ATOM 924 CB TYR A 62 19.838 -17.041 -10.461 1.00 42.51 C ATOM 925 CG TYR A 62 19.354 -16.609 -9.095 1.00 60.22 C ATOM 926 CD1 TYR A 62 18.009 -16.348 -8.864 1.00 40.42 C ATOM 927 CD2 TYR A 62 20.241 -16.462 -8.036 1.00 62.22 C ATOM 928 CE1 TYR A 62 17.562 -15.953 -7.618 1.00 51.41 C ATOM 929 CE2 TYR A 62 19.803 -16.069 -6.787 1.00 31.15 C ATOM 930 CZ TYR A 62 18.463 -15.815 -6.583 1.00 34.35 C ATOM 931 OH TYR A 62 18.022 -15.422 -5.339 1.00 62.15 O ATOM 0 H TYR A 62 20.780 -17.189 -12.735 1.00 5.32 H new ATOM 0 HA TYR A 62 18.337 -16.287 -11.803 1.00 5.31 H new ATOM 0 HB2 TYR A 62 19.473 -18.048 -10.665 1.00 42.51 H new ATOM 0 HB3 TYR A 62 20.927 -17.092 -10.452 1.00 42.51 H new ATOM 0 HD1 TYR A 62 17.301 -16.456 -9.672 1.00 40.42 H new ATOM 0 HD2 TYR A 62 21.291 -16.659 -8.192 1.00 62.22 H new ATOM 0 HE1 TYR A 62 16.513 -15.753 -7.455 1.00 51.41 H new ATOM 0 HE2 TYR A 62 20.506 -15.961 -5.974 1.00 31.15 H new ATOM 0 HH TYR A 62 18.782 -15.374 -4.722 1.00 62.15 H new ATOM 941 N GLU A 63 20.711 -14.077 -11.504 1.00 34.00 N ATOM 942 CA GLU A 63 20.998 -12.690 -11.156 1.00 63.43 C ATOM 943 C GLU A 63 20.270 -11.732 -12.094 1.00 34.00 C ATOM 944 O GLU A 63 19.698 -10.733 -11.656 1.00 60.24 O ATOM 945 CB GLU A 63 22.505 -12.429 -11.212 1.00 71.34 C ATOM 946 CG GLU A 63 23.259 -12.955 -10.003 1.00 22.03 C ATOM 947 CD GLU A 63 24.316 -11.987 -9.508 1.00 50.40 C ATOM 948 OE1 GLU A 63 24.746 -11.122 -10.299 1.00 51.43 O ATOM 949 OE2 GLU A 63 24.713 -12.094 -8.329 1.00 34.04 O ATOM 0 H GLU A 63 21.456 -14.546 -12.019 1.00 34.00 H new ATOM 0 HA GLU A 63 20.643 -12.516 -10.140 1.00 63.43 H new ATOM 0 HB2 GLU A 63 22.912 -12.890 -12.112 1.00 71.34 H new ATOM 0 HB3 GLU A 63 22.676 -11.356 -11.298 1.00 71.34 H new ATOM 0 HG2 GLU A 63 22.552 -13.158 -9.199 1.00 22.03 H new ATOM 0 HG3 GLU A 63 23.731 -13.903 -10.259 1.00 22.03 H new ATOM 956 N ASP A 64 20.295 -12.043 -13.385 1.00 63.41 N ATOM 957 CA ASP A 64 19.637 -11.211 -14.386 1.00 23.14 C ATOM 958 C ASP A 64 18.163 -11.015 -14.045 1.00 3.31 C ATOM 959 O ASP A 64 17.699 -9.887 -13.878 1.00 10.33 O ATOM 960 CB ASP A 64 19.773 -11.840 -15.773 1.00 24.31 C ATOM 961 CG ASP A 64 19.674 -10.816 -16.886 1.00 15.43 C ATOM 962 OD1 ASP A 64 18.614 -10.165 -16.999 1.00 73.24 O ATOM 963 OD2 ASP A 64 20.655 -10.665 -17.644 1.00 11.54 O ATOM 0 H ASP A 64 20.764 -12.866 -13.763 1.00 63.41 H new ATOM 0 HA ASP A 64 20.124 -10.236 -14.389 1.00 23.14 H new ATOM 0 HB2 ASP A 64 20.731 -12.356 -15.842 1.00 24.31 H new ATOM 0 HB3 ASP A 64 18.995 -12.592 -15.905 1.00 24.31 H new ATOM 968 N PHE A 65 17.432 -12.120 -13.944 1.00 41.25 N ATOM 969 CA PHE A 65 16.010 -12.069 -13.626 1.00 20.22 C ATOM 970 C PHE A 65 15.762 -11.224 -12.380 1.00 35.11 C ATOM 971 O PHE A 65 14.974 -10.278 -12.404 1.00 61.15 O ATOM 972 CB PHE A 65 15.462 -13.482 -13.415 1.00 24.31 C ATOM 973 CG PHE A 65 14.016 -13.627 -13.792 1.00 33.02 C ATOM 974 CD1 PHE A 65 13.642 -13.756 -15.120 1.00 14.24 C ATOM 975 CD2 PHE A 65 13.030 -13.634 -12.818 1.00 51.32 C ATOM 976 CE1 PHE A 65 12.311 -13.890 -15.470 1.00 1.41 C ATOM 977 CE2 PHE A 65 11.698 -13.768 -13.162 1.00 40.54 C ATOM 978 CZ PHE A 65 11.338 -13.894 -14.490 1.00 21.41 C ATOM 0 H PHE A 65 17.801 -13.062 -14.078 1.00 41.25 H new ATOM 0 HA PHE A 65 15.491 -11.607 -14.466 1.00 20.22 H new ATOM 0 HB2 PHE A 65 16.054 -14.184 -14.002 1.00 24.31 H new ATOM 0 HB3 PHE A 65 15.586 -13.758 -12.368 1.00 24.31 H new ATOM 0 HD1 PHE A 65 14.399 -13.752 -15.891 1.00 14.24 H new ATOM 0 HD2 PHE A 65 13.306 -13.534 -11.779 1.00 51.32 H new ATOM 0 HE1 PHE A 65 12.033 -13.991 -16.509 1.00 1.41 H new ATOM 0 HE2 PHE A 65 10.939 -13.774 -12.393 1.00 40.54 H new ATOM 0 HZ PHE A 65 10.298 -13.995 -14.761 1.00 21.41 H new ATOM 988 N VAL A 66 16.439 -11.573 -11.291 1.00 32.14 N ATOM 989 CA VAL A 66 16.293 -10.847 -10.034 1.00 71.55 C ATOM 990 C VAL A 66 16.655 -9.376 -10.204 1.00 62.43 C ATOM 991 O VAL A 66 16.140 -8.515 -9.493 1.00 0.42 O ATOM 992 CB VAL A 66 17.174 -11.458 -8.928 1.00 41.53 C ATOM 993 CG1 VAL A 66 17.065 -10.643 -7.648 1.00 51.14 C ATOM 994 CG2 VAL A 66 16.790 -12.908 -8.681 1.00 33.41 C ATOM 0 H VAL A 66 17.094 -12.354 -11.253 1.00 32.14 H new ATOM 0 HA VAL A 66 15.246 -10.928 -9.740 1.00 71.55 H new ATOM 0 HB VAL A 66 18.212 -11.433 -9.259 1.00 41.53 H new ATOM 0 HG11 VAL A 66 17.694 -11.089 -6.878 1.00 51.14 H new ATOM 0 HG12 VAL A 66 17.394 -9.621 -7.838 1.00 51.14 H new ATOM 0 HG13 VAL A 66 16.029 -10.634 -7.310 1.00 51.14 H new ATOM 0 HG21 VAL A 66 17.423 -13.323 -7.897 1.00 33.41 H new ATOM 0 HG22 VAL A 66 15.746 -12.960 -8.371 1.00 33.41 H new ATOM 0 HG23 VAL A 66 16.925 -13.481 -9.598 1.00 33.41 H new ATOM 1004 N GLN A 67 17.544 -9.097 -11.152 1.00 24.31 N ATOM 1005 CA GLN A 67 17.976 -7.729 -11.415 1.00 32.51 C ATOM 1006 C GLN A 67 16.796 -6.857 -11.830 1.00 12.24 C ATOM 1007 O GLN A 67 16.547 -5.809 -11.234 1.00 31.22 O ATOM 1008 CB GLN A 67 19.047 -7.711 -12.506 1.00 63.35 C ATOM 1009 CG GLN A 67 20.289 -6.921 -12.127 1.00 22.02 C ATOM 1010 CD GLN A 67 21.540 -7.437 -12.810 1.00 5.41 C ATOM 1011 OE1 GLN A 67 21.785 -8.643 -12.856 1.00 14.43 O ATOM 1012 NE2 GLN A 67 22.342 -6.523 -13.346 1.00 33.31 N ATOM 0 H GLN A 67 17.979 -9.799 -11.750 1.00 24.31 H new ATOM 0 HA GLN A 67 18.398 -7.324 -10.495 1.00 32.51 H new ATOM 0 HB2 GLN A 67 19.335 -8.736 -12.737 1.00 63.35 H new ATOM 0 HB3 GLN A 67 18.620 -7.287 -13.415 1.00 63.35 H new ATOM 0 HG2 GLN A 67 20.142 -5.873 -12.389 1.00 22.02 H new ATOM 0 HG3 GLN A 67 20.426 -6.963 -11.046 1.00 22.02 H new ATOM 0 HE21 GLN A 67 22.101 -5.534 -13.285 1.00 33.31 H new ATOM 0 HE22 GLN A 67 23.199 -6.811 -13.819 1.00 33.31 H new ATOM 1021 N MET A 68 16.073 -7.296 -12.855 1.00 11.23 N ATOM 1022 CA MET A 68 14.918 -6.554 -13.348 1.00 63.22 C ATOM 1023 C MET A 68 13.871 -6.387 -12.252 1.00 53.21 C ATOM 1024 O MET A 68 13.139 -5.398 -12.226 1.00 41.42 O ATOM 1025 CB MET A 68 14.303 -7.269 -14.553 1.00 21.01 C ATOM 1026 CG MET A 68 14.221 -6.401 -15.798 1.00 2.10 C ATOM 1027 SD MET A 68 12.751 -6.739 -16.785 1.00 72.21 S ATOM 1028 CE MET A 68 12.033 -5.102 -16.896 1.00 3.21 C ATOM 0 H MET A 68 16.266 -8.161 -13.360 1.00 11.23 H new ATOM 0 HA MET A 68 15.257 -5.565 -13.655 1.00 63.22 H new ATOM 0 HB2 MET A 68 14.893 -8.158 -14.778 1.00 21.01 H new ATOM 0 HB3 MET A 68 13.301 -7.609 -14.291 1.00 21.01 H new ATOM 0 HG2 MET A 68 14.224 -5.351 -15.505 1.00 2.10 H new ATOM 0 HG3 MET A 68 15.109 -6.564 -16.409 1.00 2.10 H new ATOM 0 HE1 MET A 68 11.113 -5.147 -17.479 1.00 3.21 H new ATOM 0 HE2 MET A 68 11.810 -4.734 -15.895 1.00 3.21 H new ATOM 0 HE3 MET A 68 12.738 -4.428 -17.382 1.00 3.21 H new ATOM 1038 N MET A 69 13.805 -7.360 -11.349 1.00 54.14 N ATOM 1039 CA MET A 69 12.847 -7.319 -10.251 1.00 14.54 C ATOM 1040 C MET A 69 13.180 -6.189 -9.281 1.00 73.01 C ATOM 1041 O MET A 69 12.294 -5.634 -8.630 1.00 40.52 O ATOM 1042 CB MET A 69 12.832 -8.656 -9.508 1.00 72.00 C ATOM 1043 CG MET A 69 11.457 -9.303 -9.448 1.00 4.51 C ATOM 1044 SD MET A 69 11.134 -10.379 -10.858 1.00 14.50 S ATOM 1045 CE MET A 69 9.638 -9.640 -11.511 1.00 31.43 C ATOM 0 H MET A 69 14.403 -8.186 -11.356 1.00 54.14 H new ATOM 0 HA MET A 69 11.858 -7.134 -10.671 1.00 14.54 H new ATOM 0 HB2 MET A 69 13.526 -9.341 -9.995 1.00 72.00 H new ATOM 0 HB3 MET A 69 13.197 -8.502 -8.492 1.00 72.00 H new ATOM 0 HG2 MET A 69 11.371 -9.881 -8.528 1.00 4.51 H new ATOM 0 HG3 MET A 69 10.695 -8.525 -9.408 1.00 4.51 H new ATOM 0 HE1 MET A 69 9.311 -10.196 -12.390 1.00 31.43 H new ATOM 0 HE2 MET A 69 8.856 -9.669 -10.752 1.00 31.43 H new ATOM 0 HE3 MET A 69 9.835 -8.605 -11.789 1.00 31.43 H new ATOM 1055 N THR A 70 14.463 -5.853 -9.189 1.00 32.22 N ATOM 1056 CA THR A 70 14.913 -4.791 -8.298 1.00 32.32 C ATOM 1057 C THR A 70 15.534 -3.641 -9.083 1.00 31.55 C ATOM 1058 O THR A 70 16.376 -2.908 -8.565 1.00 53.13 O ATOM 1059 CB THR A 70 15.939 -5.313 -7.275 1.00 65.40 C ATOM 1060 OG1 THR A 70 17.069 -5.870 -7.956 1.00 25.32 O ATOM 1061 CG2 THR A 70 15.316 -6.367 -6.372 1.00 12.54 C ATOM 0 H THR A 70 15.209 -6.301 -9.721 1.00 32.22 H new ATOM 0 HA THR A 70 14.033 -4.430 -7.766 1.00 32.32 H new ATOM 0 HB THR A 70 16.263 -4.474 -6.658 1.00 65.40 H new ATOM 0 HG1 THR A 70 16.800 -6.692 -8.417 1.00 25.32 H new ATOM 0 HG21 THR A 70 16.060 -6.720 -5.658 1.00 12.54 H new ATOM 0 HG22 THR A 70 14.474 -5.933 -5.833 1.00 12.54 H new ATOM 0 HG23 THR A 70 14.967 -7.204 -6.977 1.00 12.54 H new ATOM 1069 N ALA A 71 15.113 -3.490 -10.334 1.00 14.42 N ATOM 1070 CA ALA A 71 15.626 -2.427 -11.189 1.00 10.30 C ATOM 1071 C ALA A 71 14.502 -1.512 -11.663 1.00 14.13 C ATOM 1072 O ALA A 71 14.575 -0.292 -11.514 1.00 44.14 O ATOM 1073 CB ALA A 71 16.365 -3.018 -12.380 1.00 60.22 C ATOM 0 H ALA A 71 14.418 -4.090 -10.778 1.00 14.42 H new ATOM 0 HA ALA A 71 16.323 -1.828 -10.603 1.00 10.30 H new ATOM 0 HB1 ALA A 71 16.743 -2.213 -13.010 1.00 60.22 H new ATOM 0 HB2 ALA A 71 17.199 -3.624 -12.026 1.00 60.22 H new ATOM 0 HB3 ALA A 71 15.683 -3.642 -12.958 1.00 60.22 H new ATOM 1079 N LYS A 72 13.461 -2.108 -12.234 1.00 71.50 N ATOM 1080 CA LYS A 72 12.320 -1.348 -12.730 1.00 33.24 C ATOM 1081 C LYS A 72 11.209 -1.291 -11.686 1.00 2.15 C ATOM 1082 O LYS A 72 11.490 -0.999 -10.524 1.00 60.20 O ATOM 1083 CB LYS A 72 11.788 -1.972 -14.022 1.00 14.21 C ATOM 1084 CG LYS A 72 12.473 -1.454 -15.274 1.00 51.34 C ATOM 1085 CD LYS A 72 11.474 -1.194 -16.390 1.00 1.13 C ATOM 1086 CE LYS A 72 11.366 0.290 -16.706 1.00 75.11 C ATOM 1087 NZ LYS A 72 12.436 0.738 -17.639 1.00 61.22 N ATOM 0 H LYS A 72 13.384 -3.117 -12.365 1.00 71.50 H new ATOM 0 HA LYS A 72 12.654 -0.331 -12.936 1.00 33.24 H new ATOM 0 HB2 LYS A 72 11.912 -3.054 -13.971 1.00 14.21 H new ATOM 0 HB3 LYS A 72 10.718 -1.777 -14.096 1.00 14.21 H new ATOM 0 HG2 LYS A 72 13.009 -0.533 -15.042 1.00 51.34 H new ATOM 0 HG3 LYS A 72 13.215 -2.178 -15.610 1.00 51.34 H new ATOM 0 HD2 LYS A 72 11.777 -1.737 -17.285 1.00 1.13 H new ATOM 0 HD3 LYS A 72 10.496 -1.578 -16.101 1.00 1.13 H new ATOM 0 HE2 LYS A 72 10.391 0.497 -17.146 1.00 75.11 H new ATOM 0 HE3 LYS A 72 11.427 0.864 -15.781 1.00 75.11 H new ATOM 0 HZ1 LYS A 72 12.327 1.755 -17.829 1.00 61.22 H new ATOM 0 HZ2 LYS A 72 13.367 0.564 -17.209 1.00 61.22 H new ATOM 0 HZ3 LYS A 72 12.362 0.209 -18.531 1.00 61.22 H new TER 1101 LYS A 72