USER MOD reduce.3.24.130724 H: found=0, std=0, add=927, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 926 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 46 HIS : no HE2:sc= -0.867 X(o=-0.22,f=-0.43) USER MOD Set 1.2: A 83 HIS : no HE2:sc= 0.646 K(o=-0.22,f=-3.3!) USER MOD Set 2.1: A 15 ASN : amide:sc=-0.00402 X(o=-0.004,f=-0.26) USER MOD Set 2.2: A 85 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 11 SER OG : rot 162:sc= 1.36 USER MOD Single : A 19 TYR OH : rot 180:sc= 0.252 USER MOD Single : A 21 THR OG1 : rot 123:sc= 0.0817 USER MOD Single : A 24 ASN : amide:sc= -0.158 K(o=-0.16,f=-2.6!) USER MOD Single : A 37 THR OG1 : rot 86:sc= 0.643 USER MOD Single : A 48 THR OG1 : rot 7:sc= 0.682 USER MOD Single : A 50 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 170:sc= -0.163 (180deg=-0.759) USER MOD Single : A 57 LYS NZ :NH3+ -166:sc= 1.25 (180deg=0.874) USER MOD Single : A 59 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 61 MET CE :methyl -168:sc= -0.0113 (180deg=-0.224) USER MOD Single : A 72 LYS NZ :NH3+ -116:sc= 0.0803 (180deg=-0.329!) USER MOD Single : A 78 LYS NZ :NH3+ -155:sc= 1.03 (180deg=0.576) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ -169:sc= 1.15 (180deg=0.848) USER MOD Single : A 94 LYS NZ :NH3+ -148:sc= 1.72 (180deg=0.562) USER MOD Single : A 109 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0133) USER MOD Single : A 112 LYS NZ :NH3+ -178:sc= 1.05 (180deg=0.805) USER MOD ----------------------------------------------------------------- ATOM 55 N GLU A 5 10.973 1.266 6.120 1.00 1.78 N ATOM 56 CA GLU A 5 10.329 -0.015 5.815 1.00 2.49 C ATOM 57 C GLU A 5 8.790 0.012 5.851 1.00 2.21 C ATOM 58 O GLU A 5 8.195 0.694 6.694 1.00 2.22 O ATOM 59 CB GLU A 5 10.816 -1.050 6.833 1.00 3.80 C ATOM 60 CG GLU A 5 10.117 -1.004 8.206 1.00 4.20 C ATOM 61 CD GLU A 5 10.535 0.093 9.189 1.00 4.33 C ATOM 62 OE1 GLU A 5 10.817 1.232 8.762 1.00 4.15 O ATOM 63 OE2 GLU A 5 10.435 -0.095 10.415 1.00 5.30 O ATOM 0 HA GLU A 5 10.606 -0.261 4.790 1.00 2.49 H new ATOM 0 HB2 GLU A 5 10.681 -2.045 6.408 1.00 3.80 H new ATOM 0 HB3 GLU A 5 11.886 -0.911 6.984 1.00 3.80 H new ATOM 0 HG2 GLU A 5 9.045 -0.906 8.032 1.00 4.20 H new ATOM 0 HG3 GLU A 5 10.274 -1.966 8.693 1.00 4.20 H new ATOM 70 N GLY A 6 8.125 -0.776 5.001 1.00 2.30 N ATOM 71 CA GLY A 6 6.665 -0.942 5.026 1.00 2.06 C ATOM 72 C GLY A 6 6.166 -1.909 6.098 1.00 1.54 C ATOM 73 O GLY A 6 6.959 -2.539 6.788 1.00 1.47 O ATOM 0 H GLY A 6 8.585 -1.321 4.271 1.00 2.30 H new ATOM 0 HA2 GLY A 6 6.202 0.032 5.186 1.00 2.06 H new ATOM 0 HA3 GLY A 6 6.333 -1.296 4.050 1.00 2.06 H new ATOM 77 N TRP A 7 4.842 -2.083 6.167 1.00 1.42 N ATOM 78 CA TRP A 7 4.175 -3.138 6.922 1.00 1.15 C ATOM 79 C TRP A 7 2.801 -3.517 6.338 1.00 0.89 C ATOM 80 O TRP A 7 2.090 -2.689 5.768 1.00 0.79 O ATOM 81 CB TRP A 7 4.094 -2.770 8.405 1.00 1.42 C ATOM 82 CG TRP A 7 2.984 -1.873 8.859 1.00 1.40 C ATOM 83 CD1 TRP A 7 1.916 -2.279 9.582 1.00 1.46 C ATOM 84 CD2 TRP A 7 2.853 -0.421 8.748 1.00 1.71 C ATOM 85 NE1 TRP A 7 1.162 -1.190 9.956 1.00 1.60 N ATOM 86 CE2 TRP A 7 1.700 -0.012 9.483 1.00 1.73 C ATOM 87 CE3 TRP A 7 3.607 0.600 8.127 1.00 2.26 C ATOM 88 CZ2 TRP A 7 1.332 1.336 9.623 1.00 2.14 C ATOM 89 CZ3 TRP A 7 3.245 1.955 8.251 1.00 2.71 C ATOM 90 CH2 TRP A 7 2.122 2.325 9.014 1.00 2.60 C ATOM 0 H TRP A 7 4.187 -1.470 5.681 1.00 1.42 H new ATOM 0 HA TRP A 7 4.786 -4.036 6.831 1.00 1.15 H new ATOM 0 HB2 TRP A 7 4.024 -3.697 8.973 1.00 1.42 H new ATOM 0 HB3 TRP A 7 5.036 -2.297 8.681 1.00 1.42 H new ATOM 0 HD1 TRP A 7 1.688 -3.305 9.829 1.00 1.46 H new ATOM 0 HE1 TRP A 7 0.310 -1.247 10.514 1.00 1.60 H new ATOM 0 HE3 TRP A 7 4.478 0.336 7.546 1.00 2.26 H new ATOM 0 HZ2 TRP A 7 0.454 1.608 10.191 1.00 2.14 H new ATOM 0 HZ3 TRP A 7 3.833 2.715 7.758 1.00 2.71 H new ATOM 0 HH2 TRP A 7 1.868 3.368 9.131 1.00 2.60 H new ATOM 101 N VAL A 8 2.444 -4.797 6.443 1.00 0.96 N ATOM 102 CA VAL A 8 1.150 -5.361 6.004 1.00 0.94 C ATOM 103 C VAL A 8 0.216 -5.354 7.217 1.00 1.07 C ATOM 104 O VAL A 8 0.707 -5.549 8.326 1.00 1.37 O ATOM 105 CB VAL A 8 1.314 -6.805 5.470 1.00 0.93 C ATOM 106 CG1 VAL A 8 -0.011 -7.419 4.979 1.00 1.05 C ATOM 107 CG2 VAL A 8 2.337 -6.874 4.323 1.00 0.96 C ATOM 0 H VAL A 8 3.062 -5.500 6.848 1.00 0.96 H new ATOM 0 HA VAL A 8 0.743 -4.762 5.189 1.00 0.94 H new ATOM 0 HB VAL A 8 1.670 -7.384 6.322 1.00 0.93 H new ATOM 0 HG11 VAL A 8 0.169 -8.431 4.617 1.00 1.05 H new ATOM 0 HG12 VAL A 8 -0.725 -7.450 5.802 1.00 1.05 H new ATOM 0 HG13 VAL A 8 -0.416 -6.811 4.170 1.00 1.05 H new ATOM 0 HG21 VAL A 8 2.424 -7.903 3.975 1.00 0.96 H new ATOM 0 HG22 VAL A 8 2.005 -6.240 3.501 1.00 0.96 H new ATOM 0 HG23 VAL A 8 3.307 -6.528 4.679 1.00 0.96 H new ATOM 117 N ARG A 9 -1.101 -5.157 7.035 1.00 1.04 N ATOM 118 CA ARG A 9 -2.030 -5.230 8.171 1.00 1.19 C ATOM 119 C ARG A 9 -2.306 -6.670 8.649 1.00 1.23 C ATOM 120 O ARG A 9 -1.477 -7.286 9.309 1.00 2.31 O ATOM 121 CB ARG A 9 -3.262 -4.328 8.031 1.00 1.46 C ATOM 122 CG ARG A 9 -4.211 -4.581 6.853 1.00 2.07 C ATOM 123 CD ARG A 9 -5.675 -4.417 7.270 1.00 2.55 C ATOM 124 NE ARG A 9 -5.980 -3.022 7.632 1.00 3.02 N ATOM 125 CZ ARG A 9 -7.127 -2.392 7.423 1.00 3.87 C ATOM 126 NH1 ARG A 9 -8.207 -3.038 7.025 1.00 4.40 N ATOM 127 NH2 ARG A 9 -7.197 -1.096 7.629 1.00 4.79 N ATOM 0 H ARG A 9 -1.536 -4.951 6.136 1.00 1.04 H new ATOM 0 HA ARG A 9 -1.499 -4.782 9.011 1.00 1.19 H new ATOM 0 HB2 ARG A 9 -3.842 -4.410 8.950 1.00 1.46 H new ATOM 0 HB3 ARG A 9 -2.915 -3.297 7.964 1.00 1.46 H new ATOM 0 HG2 ARG A 9 -3.982 -3.888 6.044 1.00 2.07 H new ATOM 0 HG3 ARG A 9 -4.052 -5.587 6.465 1.00 2.07 H new ATOM 0 HD2 ARG A 9 -6.325 -4.732 6.453 1.00 2.55 H new ATOM 0 HD3 ARG A 9 -5.888 -5.069 8.117 1.00 2.55 H new ATOM 0 HE ARG A 9 -5.238 -2.490 8.087 1.00 3.02 H new ATOM 0 HH11 ARG A 9 -8.171 -4.046 6.871 1.00 4.40 H new ATOM 0 HH12 ARG A 9 -9.078 -2.530 6.871 1.00 4.40 H new ATOM 0 HH21 ARG A 9 -6.373 -0.585 7.947 1.00 4.79 H new ATOM 0 HH22 ARG A 9 -8.075 -0.601 7.471 1.00 4.79 H new ATOM 141 N PHE A 10 -3.490 -7.216 8.359 1.00 0.83 N ATOM 142 CA PHE A 10 -3.953 -8.550 8.739 1.00 0.81 C ATOM 143 C PHE A 10 -5.275 -8.878 8.031 1.00 0.79 C ATOM 144 O PHE A 10 -6.085 -7.986 7.777 1.00 1.00 O ATOM 145 CB PHE A 10 -4.101 -8.653 10.268 1.00 0.95 C ATOM 146 CG PHE A 10 -4.810 -9.906 10.740 1.00 1.05 C ATOM 147 CD1 PHE A 10 -4.189 -11.160 10.591 1.00 1.88 C ATOM 148 CD2 PHE A 10 -6.119 -9.829 11.257 1.00 1.92 C ATOM 149 CE1 PHE A 10 -4.883 -12.331 10.940 1.00 1.93 C ATOM 150 CE2 PHE A 10 -6.806 -11.003 11.613 1.00 2.11 C ATOM 151 CZ PHE A 10 -6.191 -12.255 11.451 1.00 1.46 C ATOM 0 H PHE A 10 -4.191 -6.707 7.821 1.00 0.83 H new ATOM 0 HA PHE A 10 -3.210 -9.283 8.424 1.00 0.81 H new ATOM 0 HB2 PHE A 10 -3.110 -8.617 10.721 1.00 0.95 H new ATOM 0 HB3 PHE A 10 -4.648 -7.782 10.628 1.00 0.95 H new ATOM 0 HD1 PHE A 10 -3.181 -11.222 10.209 1.00 1.88 H new ATOM 0 HD2 PHE A 10 -6.595 -8.867 11.380 1.00 1.92 H new ATOM 0 HE1 PHE A 10 -4.410 -13.294 10.815 1.00 1.93 H new ATOM 0 HE2 PHE A 10 -7.808 -10.942 12.012 1.00 2.11 H new ATOM 0 HZ PHE A 10 -6.721 -13.157 11.718 1.00 1.46 H new ATOM 161 N SER A 11 -5.478 -10.165 7.746 1.00 0.72 N ATOM 162 CA SER A 11 -6.678 -10.788 7.178 1.00 0.77 C ATOM 163 C SER A 11 -6.445 -12.307 7.037 1.00 0.75 C ATOM 164 O SER A 11 -5.324 -12.700 6.703 1.00 0.88 O ATOM 165 CB SER A 11 -7.009 -10.190 5.805 1.00 1.03 C ATOM 166 OG SER A 11 -8.173 -10.773 5.260 1.00 2.12 O ATOM 0 H SER A 11 -4.749 -10.856 7.920 1.00 0.72 H new ATOM 0 HA SER A 11 -7.518 -10.599 7.846 1.00 0.77 H new ATOM 0 HB2 SER A 11 -7.149 -9.113 5.899 1.00 1.03 H new ATOM 0 HB3 SER A 11 -6.170 -10.345 5.127 1.00 1.03 H new ATOM 0 HG SER A 11 -8.521 -10.201 4.544 1.00 2.12 H new ATOM 172 N PRO A 12 -7.460 -13.167 7.262 1.00 0.84 N ATOM 173 CA PRO A 12 -7.384 -14.592 6.926 1.00 0.95 C ATOM 174 C PRO A 12 -7.567 -14.842 5.422 1.00 0.82 C ATOM 175 O PRO A 12 -7.124 -15.865 4.907 1.00 0.97 O ATOM 176 CB PRO A 12 -8.529 -15.218 7.720 1.00 1.17 C ATOM 177 CG PRO A 12 -9.597 -14.125 7.751 1.00 1.15 C ATOM 178 CD PRO A 12 -8.767 -12.842 7.830 1.00 1.01 C ATOM 0 HA PRO A 12 -6.409 -15.015 7.170 1.00 0.95 H new ATOM 0 HB2 PRO A 12 -8.899 -16.124 7.240 1.00 1.17 H new ATOM 0 HB3 PRO A 12 -8.213 -15.496 8.725 1.00 1.17 H new ATOM 0 HG2 PRO A 12 -10.224 -14.147 6.860 1.00 1.15 H new ATOM 0 HG3 PRO A 12 -10.260 -14.231 8.610 1.00 1.15 H new ATOM 0 HD2 PRO A 12 -9.244 -12.035 7.273 1.00 1.01 H new ATOM 0 HD3 PRO A 12 -8.670 -12.504 8.862 1.00 1.01 H new ATOM 186 N GLY A 13 -8.227 -13.904 4.741 1.00 0.71 N ATOM 187 CA GLY A 13 -8.679 -13.988 3.355 1.00 0.70 C ATOM 188 C GLY A 13 -10.107 -13.442 3.192 1.00 0.74 C ATOM 189 O GLY A 13 -10.722 -13.039 4.182 1.00 0.84 O ATOM 0 H GLY A 13 -8.474 -13.012 5.170 1.00 0.71 H new ATOM 0 HA2 GLY A 13 -7.999 -13.426 2.715 1.00 0.70 H new ATOM 0 HA3 GLY A 13 -8.645 -15.026 3.023 1.00 0.70 H new ATOM 193 N PRO A 14 -10.640 -13.392 1.957 1.00 0.76 N ATOM 194 CA PRO A 14 -9.926 -13.619 0.702 1.00 0.77 C ATOM 195 C PRO A 14 -8.998 -12.449 0.338 1.00 0.71 C ATOM 196 O PRO A 14 -8.227 -12.568 -0.615 1.00 0.79 O ATOM 197 CB PRO A 14 -11.031 -13.805 -0.342 1.00 0.90 C ATOM 198 CG PRO A 14 -12.154 -12.907 0.173 1.00 0.91 C ATOM 199 CD PRO A 14 -12.025 -13.019 1.691 1.00 0.85 C ATOM 0 HA PRO A 14 -9.266 -14.484 0.767 1.00 0.77 H new ATOM 0 HB2 PRO A 14 -10.700 -13.505 -1.336 1.00 0.90 H new ATOM 0 HB3 PRO A 14 -11.348 -14.846 -0.412 1.00 0.90 H new ATOM 0 HG2 PRO A 14 -12.034 -11.878 -0.166 1.00 0.91 H new ATOM 0 HG3 PRO A 14 -13.131 -13.245 -0.174 1.00 0.91 H new ATOM 0 HD2 PRO A 14 -12.273 -12.073 2.173 1.00 0.85 H new ATOM 0 HD3 PRO A 14 -12.712 -13.768 2.086 1.00 0.85 H new ATOM 207 N ASN A 15 -9.033 -11.337 1.092 1.00 0.64 N ATOM 208 CA ASN A 15 -8.246 -10.140 0.812 1.00 0.55 C ATOM 209 C ASN A 15 -7.807 -9.357 2.060 1.00 0.52 C ATOM 210 O ASN A 15 -8.494 -9.302 3.081 1.00 0.88 O ATOM 211 CB ASN A 15 -8.997 -9.247 -0.184 1.00 0.72 C ATOM 212 CG ASN A 15 -10.375 -8.788 0.275 1.00 1.06 C ATOM 213 OD1 ASN A 15 -11.394 -9.320 -0.129 1.00 2.36 O ATOM 214 ND2 ASN A 15 -10.458 -7.770 1.109 1.00 1.74 N ATOM 0 H ASN A 15 -9.619 -11.251 1.922 1.00 0.64 H new ATOM 0 HA ASN A 15 -7.312 -10.481 0.366 1.00 0.55 H new ATOM 0 HB2 ASN A 15 -8.388 -8.367 -0.391 1.00 0.72 H new ATOM 0 HB3 ASN A 15 -9.105 -9.788 -1.124 1.00 0.72 H new ATOM 0 HD21 ASN A 15 -11.371 -7.432 1.412 1.00 1.74 H new ATOM 0 HD22 ASN A 15 -9.609 -7.320 1.451 1.00 1.74 H new ATOM 221 N ALA A 16 -6.641 -8.729 1.931 1.00 0.41 N ATOM 222 CA ALA A 16 -5.926 -7.918 2.919 1.00 0.36 C ATOM 223 C ALA A 16 -5.717 -6.473 2.414 1.00 0.33 C ATOM 224 O ALA A 16 -6.236 -6.086 1.367 1.00 0.34 O ATOM 225 CB ALA A 16 -4.602 -8.627 3.264 1.00 0.42 C ATOM 0 H ALA A 16 -6.124 -8.778 1.053 1.00 0.41 H new ATOM 0 HA ALA A 16 -6.519 -7.826 3.829 1.00 0.36 H new ATOM 0 HB1 ALA A 16 -4.054 -8.037 3.999 1.00 0.42 H new ATOM 0 HB2 ALA A 16 -4.814 -9.614 3.675 1.00 0.42 H new ATOM 0 HB3 ALA A 16 -4.000 -8.732 2.362 1.00 0.42 H new ATOM 231 N ALA A 17 -4.977 -5.665 3.182 1.00 0.38 N ATOM 232 CA ALA A 17 -4.481 -4.336 2.810 1.00 0.39 C ATOM 233 C ALA A 17 -3.039 -4.167 3.361 1.00 0.46 C ATOM 234 O ALA A 17 -2.638 -4.932 4.245 1.00 0.67 O ATOM 235 CB ALA A 17 -5.427 -3.264 3.364 1.00 0.45 C ATOM 0 H ALA A 17 -4.695 -5.933 4.125 1.00 0.38 H new ATOM 0 HA ALA A 17 -4.451 -4.226 1.726 1.00 0.39 H new ATOM 0 HB1 ALA A 17 -5.059 -2.276 3.088 1.00 0.45 H new ATOM 0 HB2 ALA A 17 -6.424 -3.409 2.948 1.00 0.45 H new ATOM 0 HB3 ALA A 17 -5.471 -3.344 4.450 1.00 0.45 H new ATOM 241 N ALA A 18 -2.269 -3.181 2.889 1.00 0.56 N ATOM 242 CA ALA A 18 -0.877 -2.962 3.296 1.00 0.57 C ATOM 243 C ALA A 18 -0.447 -1.492 3.163 1.00 0.50 C ATOM 244 O ALA A 18 -0.956 -0.747 2.318 1.00 0.53 O ATOM 245 CB ALA A 18 0.040 -3.886 2.474 1.00 0.63 C ATOM 0 H ALA A 18 -2.600 -2.502 2.203 1.00 0.56 H new ATOM 0 HA ALA A 18 -0.790 -3.206 4.355 1.00 0.57 H new ATOM 0 HB1 ALA A 18 1.077 -3.728 2.772 1.00 0.63 H new ATOM 0 HB2 ALA A 18 -0.235 -4.925 2.654 1.00 0.63 H new ATOM 0 HB3 ALA A 18 -0.071 -3.660 1.414 1.00 0.63 H new ATOM 251 N TYR A 19 0.527 -1.104 3.983 1.00 0.57 N ATOM 252 CA TYR A 19 1.111 0.239 4.075 1.00 0.72 C ATOM 253 C TYR A 19 2.641 0.192 3.830 1.00 0.83 C ATOM 254 O TYR A 19 3.434 0.031 4.758 1.00 1.21 O ATOM 255 CB TYR A 19 0.789 0.830 5.465 1.00 1.00 C ATOM 256 CG TYR A 19 -0.603 0.571 6.016 1.00 1.11 C ATOM 257 CD1 TYR A 19 -1.718 1.292 5.545 1.00 2.01 C ATOM 258 CD2 TYR A 19 -0.769 -0.376 7.045 1.00 2.37 C ATOM 259 CE1 TYR A 19 -2.989 1.090 6.123 1.00 2.08 C ATOM 260 CE2 TYR A 19 -2.027 -0.569 7.638 1.00 2.74 C ATOM 261 CZ TYR A 19 -3.142 0.170 7.185 1.00 1.84 C ATOM 262 OH TYR A 19 -4.345 -0.002 7.799 1.00 2.31 O ATOM 0 H TYR A 19 0.957 -1.754 4.641 1.00 0.57 H new ATOM 0 HA TYR A 19 0.679 0.878 3.304 1.00 0.72 H new ATOM 0 HB2 TYR A 19 1.514 0.437 6.177 1.00 1.00 H new ATOM 0 HB3 TYR A 19 0.940 1.908 5.419 1.00 1.00 H new ATOM 0 HD1 TYR A 19 -1.599 2.001 4.739 1.00 2.01 H new ATOM 0 HD2 TYR A 19 0.077 -0.958 7.380 1.00 2.37 H new ATOM 0 HE1 TYR A 19 -3.844 1.638 5.755 1.00 2.08 H new ATOM 0 HE2 TYR A 19 -2.142 -1.283 8.441 1.00 2.74 H new ATOM 0 HH TYR A 19 -4.258 -0.676 8.505 1.00 2.31 H new ATOM 272 N LEU A 20 3.105 0.282 2.576 1.00 1.11 N ATOM 273 CA LEU A 20 4.555 0.302 2.301 1.00 1.22 C ATOM 274 C LEU A 20 5.245 1.609 2.747 1.00 0.97 C ATOM 275 O LEU A 20 4.593 2.648 2.870 1.00 0.95 O ATOM 276 CB LEU A 20 4.847 -0.109 0.849 1.00 1.50 C ATOM 277 CG LEU A 20 4.427 0.896 -0.237 1.00 1.56 C ATOM 278 CD1 LEU A 20 5.400 2.074 -0.401 1.00 2.48 C ATOM 279 CD2 LEU A 20 4.330 0.135 -1.562 1.00 2.08 C ATOM 0 H LEU A 20 2.513 0.341 1.747 1.00 1.11 H new ATOM 0 HA LEU A 20 5.019 -0.457 2.931 1.00 1.22 H new ATOM 0 HB2 LEU A 20 5.917 -0.291 0.753 1.00 1.50 H new ATOM 0 HB3 LEU A 20 4.344 -1.056 0.653 1.00 1.50 H new ATOM 0 HG LEU A 20 3.474 1.330 0.064 1.00 1.56 H new ATOM 0 HD11 LEU A 20 5.037 2.739 -1.184 1.00 2.48 H new ATOM 0 HD12 LEU A 20 5.469 2.623 0.538 1.00 2.48 H new ATOM 0 HD13 LEU A 20 6.386 1.697 -0.673 1.00 2.48 H new ATOM 0 HD21 LEU A 20 4.033 0.821 -2.355 1.00 2.08 H new ATOM 0 HD22 LEU A 20 5.300 -0.301 -1.803 1.00 2.08 H new ATOM 0 HD23 LEU A 20 3.588 -0.658 -1.472 1.00 2.08 H new ATOM 291 N THR A 21 6.567 1.559 2.948 1.00 1.21 N ATOM 292 CA THR A 21 7.470 2.710 3.125 1.00 1.30 C ATOM 293 C THR A 21 8.705 2.434 2.264 1.00 1.81 C ATOM 294 O THR A 21 9.081 1.269 2.122 1.00 1.98 O ATOM 295 CB THR A 21 7.848 2.946 4.603 1.00 1.30 C ATOM 296 OG1 THR A 21 6.665 2.955 5.368 1.00 1.62 O ATOM 297 CG2 THR A 21 8.455 4.337 4.798 1.00 1.53 C ATOM 0 H THR A 21 7.065 0.670 2.995 1.00 1.21 H new ATOM 0 HA THR A 21 6.972 3.628 2.813 1.00 1.30 H new ATOM 0 HB THR A 21 8.551 2.166 4.896 1.00 1.30 H new ATOM 0 HG1 THR A 21 6.720 2.267 6.063 1.00 1.62 H new ATOM 0 HG21 THR A 21 8.712 4.478 5.848 1.00 1.53 H new ATOM 0 HG22 THR A 21 9.354 4.431 4.188 1.00 1.53 H new ATOM 0 HG23 THR A 21 7.732 5.095 4.497 1.00 1.53 H new ATOM 305 N LEU A 22 9.223 3.492 1.628 1.00 2.20 N ATOM 306 CA LEU A 22 10.422 3.536 0.772 1.00 2.80 C ATOM 307 C LEU A 22 10.893 5.004 0.614 1.00 2.20 C ATOM 308 O LEU A 22 10.068 5.917 0.732 1.00 1.87 O ATOM 309 CB LEU A 22 10.068 2.852 -0.571 1.00 3.71 C ATOM 310 CG LEU A 22 11.137 2.941 -1.676 1.00 4.32 C ATOM 311 CD1 LEU A 22 12.413 2.170 -1.316 1.00 5.12 C ATOM 312 CD2 LEU A 22 10.555 2.411 -2.988 1.00 4.46 C ATOM 0 H LEU A 22 8.784 4.410 1.702 1.00 2.20 H new ATOM 0 HA LEU A 22 11.260 2.996 1.213 1.00 2.80 H new ATOM 0 HB2 LEU A 22 9.862 1.800 -0.377 1.00 3.71 H new ATOM 0 HB3 LEU A 22 9.146 3.293 -0.949 1.00 3.71 H new ATOM 0 HG LEU A 22 11.417 3.989 -1.785 1.00 4.32 H new ATOM 0 HD11 LEU A 22 13.136 2.263 -2.127 1.00 5.12 H new ATOM 0 HD12 LEU A 22 12.840 2.580 -0.401 1.00 5.12 H new ATOM 0 HD13 LEU A 22 12.172 1.118 -1.164 1.00 5.12 H new ATOM 0 HD21 LEU A 22 11.310 2.473 -3.772 1.00 4.46 H new ATOM 0 HD22 LEU A 22 10.251 1.372 -2.858 1.00 4.46 H new ATOM 0 HD23 LEU A 22 9.689 3.010 -3.270 1.00 4.46 H new ATOM 324 N GLU A 23 12.163 5.281 0.308 1.00 2.18 N ATOM 325 CA GLU A 23 12.624 6.612 -0.133 1.00 1.60 C ATOM 326 C GLU A 23 12.851 6.709 -1.656 1.00 1.35 C ATOM 327 O GLU A 23 13.153 5.734 -2.336 1.00 1.64 O ATOM 328 CB GLU A 23 13.858 7.098 0.660 1.00 1.99 C ATOM 329 CG GLU A 23 15.077 6.165 0.706 1.00 3.16 C ATOM 330 CD GLU A 23 14.920 5.104 1.793 1.00 3.42 C ATOM 331 OE1 GLU A 23 15.236 5.417 2.966 1.00 3.95 O ATOM 332 OE2 GLU A 23 14.382 4.031 1.455 1.00 4.09 O ATOM 0 H GLU A 23 12.910 4.588 0.358 1.00 2.18 H new ATOM 0 HA GLU A 23 11.803 7.292 0.094 1.00 1.60 H new ATOM 0 HB2 GLU A 23 14.178 8.050 0.237 1.00 1.99 H new ATOM 0 HB3 GLU A 23 13.544 7.294 1.685 1.00 1.99 H new ATOM 0 HG2 GLU A 23 15.205 5.681 -0.262 1.00 3.16 H new ATOM 0 HG3 GLU A 23 15.978 6.749 0.892 1.00 3.16 H new ATOM 339 N ASN A 24 12.746 7.926 -2.203 1.00 0.96 N ATOM 340 CA ASN A 24 13.276 8.267 -3.529 1.00 0.86 C ATOM 341 C ASN A 24 14.654 8.948 -3.364 1.00 0.85 C ATOM 342 O ASN A 24 14.714 10.168 -3.179 1.00 0.84 O ATOM 343 CB ASN A 24 12.297 9.192 -4.270 1.00 0.79 C ATOM 344 CG ASN A 24 12.723 9.399 -5.722 1.00 0.81 C ATOM 345 OD1 ASN A 24 13.765 8.935 -6.171 1.00 1.52 O ATOM 346 ND2 ASN A 24 11.913 10.084 -6.505 1.00 0.75 N ATOM 0 H ASN A 24 12.288 8.708 -1.735 1.00 0.96 H new ATOM 0 HA ASN A 24 13.395 7.359 -4.121 1.00 0.86 H new ATOM 0 HB2 ASN A 24 11.295 8.764 -4.240 1.00 0.79 H new ATOM 0 HB3 ASN A 24 12.248 10.155 -3.762 1.00 0.79 H new ATOM 0 HD21 ASN A 24 12.153 10.228 -7.486 1.00 0.75 H new ATOM 0 HD22 ASN A 24 11.046 10.469 -6.130 1.00 0.75 H new ATOM 353 N PRO A 25 15.771 8.201 -3.407 1.00 1.01 N ATOM 354 CA PRO A 25 17.107 8.776 -3.273 1.00 1.12 C ATOM 355 C PRO A 25 17.591 9.496 -4.538 1.00 1.07 C ATOM 356 O PRO A 25 18.552 10.260 -4.459 1.00 1.20 O ATOM 357 CB PRO A 25 18.009 7.582 -2.946 1.00 1.39 C ATOM 358 CG PRO A 25 17.317 6.428 -3.673 1.00 1.43 C ATOM 359 CD PRO A 25 15.848 6.748 -3.459 1.00 1.24 C ATOM 0 HA PRO A 25 17.118 9.547 -2.503 1.00 1.12 H new ATOM 0 HB2 PRO A 25 19.027 7.734 -3.304 1.00 1.39 H new ATOM 0 HB3 PRO A 25 18.072 7.404 -1.872 1.00 1.39 H new ATOM 0 HG2 PRO A 25 17.577 6.399 -4.731 1.00 1.43 H new ATOM 0 HG3 PRO A 25 17.588 5.460 -3.251 1.00 1.43 H new ATOM 0 HD2 PRO A 25 15.238 6.351 -4.270 1.00 1.24 H new ATOM 0 HD3 PRO A 25 15.480 6.302 -2.535 1.00 1.24 H new ATOM 367 N GLY A 26 16.950 9.274 -5.692 1.00 0.98 N ATOM 368 CA GLY A 26 17.324 9.877 -6.964 1.00 0.96 C ATOM 369 C GLY A 26 16.811 11.303 -7.117 1.00 0.78 C ATOM 370 O GLY A 26 16.299 11.924 -6.185 1.00 1.14 O ATOM 0 H GLY A 26 16.141 8.657 -5.762 1.00 0.98 H new ATOM 0 HA2 GLY A 26 18.410 9.875 -7.056 1.00 0.96 H new ATOM 0 HA3 GLY A 26 16.934 9.267 -7.778 1.00 0.96 H new ATOM 374 N ASP A 27 17.023 11.832 -8.315 1.00 0.81 N ATOM 375 CA ASP A 27 16.870 13.239 -8.675 1.00 1.27 C ATOM 376 C ASP A 27 15.752 13.459 -9.708 1.00 1.22 C ATOM 377 O ASP A 27 15.472 14.580 -10.129 1.00 1.51 O ATOM 378 CB ASP A 27 18.242 13.656 -9.193 1.00 1.72 C ATOM 379 CG ASP A 27 19.225 13.735 -8.020 1.00 2.22 C ATOM 380 OD1 ASP A 27 19.811 12.684 -7.668 1.00 2.49 O ATOM 381 OD2 ASP A 27 19.263 14.767 -7.324 1.00 3.20 O ATOM 0 H ASP A 27 17.323 11.262 -9.106 1.00 0.81 H new ATOM 0 HA ASP A 27 16.561 13.847 -7.825 1.00 1.27 H new ATOM 0 HB2 ASP A 27 18.598 12.938 -9.932 1.00 1.72 H new ATOM 0 HB3 ASP A 27 18.176 14.622 -9.693 1.00 1.72 H new ATOM 386 N LEU A 28 15.081 12.365 -10.070 1.00 0.92 N ATOM 387 CA LEU A 28 13.902 12.302 -10.926 1.00 0.88 C ATOM 388 C LEU A 28 12.661 11.859 -10.126 1.00 0.76 C ATOM 389 O LEU A 28 12.804 11.210 -9.083 1.00 0.76 O ATOM 390 CB LEU A 28 14.227 11.424 -12.153 1.00 1.00 C ATOM 391 CG LEU A 28 14.626 9.953 -11.890 1.00 2.16 C ATOM 392 CD1 LEU A 28 13.423 9.022 -11.659 1.00 3.09 C ATOM 393 CD2 LEU A 28 15.408 9.420 -13.100 1.00 2.96 C ATOM 0 H LEU A 28 15.368 11.440 -9.750 1.00 0.92 H new ATOM 0 HA LEU A 28 13.642 13.291 -11.304 1.00 0.88 H new ATOM 0 HB2 LEU A 28 13.356 11.425 -12.808 1.00 1.00 H new ATOM 0 HB3 LEU A 28 15.039 11.900 -12.702 1.00 1.00 H new ATOM 0 HG LEU A 28 15.225 9.954 -10.979 1.00 2.16 H new ATOM 0 HD11 LEU A 28 13.778 8.007 -11.481 1.00 3.09 H new ATOM 0 HD12 LEU A 28 12.858 9.366 -10.793 1.00 3.09 H new ATOM 0 HD13 LEU A 28 12.780 9.033 -12.539 1.00 3.09 H new ATOM 0 HD21 LEU A 28 15.693 8.383 -12.921 1.00 2.96 H new ATOM 0 HD22 LEU A 28 14.783 9.476 -13.991 1.00 2.96 H new ATOM 0 HD23 LEU A 28 16.305 10.022 -13.248 1.00 2.96 H new ATOM 405 N PRO A 29 11.443 12.209 -10.578 1.00 0.77 N ATOM 406 CA PRO A 29 10.216 11.871 -9.870 1.00 0.74 C ATOM 407 C PRO A 29 9.812 10.418 -10.136 1.00 0.70 C ATOM 408 O PRO A 29 10.201 9.808 -11.134 1.00 0.75 O ATOM 409 CB PRO A 29 9.173 12.867 -10.379 1.00 0.82 C ATOM 410 CG PRO A 29 9.616 13.124 -11.819 1.00 0.89 C ATOM 411 CD PRO A 29 11.142 13.008 -11.758 1.00 0.84 C ATOM 0 HA PRO A 29 10.329 11.942 -8.788 1.00 0.74 H new ATOM 0 HB2 PRO A 29 8.165 12.454 -10.335 1.00 0.82 H new ATOM 0 HB3 PRO A 29 9.168 13.783 -9.789 1.00 0.82 H new ATOM 0 HG2 PRO A 29 9.187 12.395 -12.506 1.00 0.89 H new ATOM 0 HG3 PRO A 29 9.303 14.110 -12.164 1.00 0.89 H new ATOM 0 HD2 PRO A 29 11.532 12.534 -12.659 1.00 0.84 H new ATOM 0 HD3 PRO A 29 11.605 13.993 -11.690 1.00 0.84 H new ATOM 419 N LEU A 30 8.994 9.878 -9.230 1.00 0.82 N ATOM 420 CA LEU A 30 8.391 8.551 -9.325 1.00 0.81 C ATOM 421 C LEU A 30 6.877 8.661 -9.435 1.00 0.84 C ATOM 422 O LEU A 30 6.235 9.502 -8.805 1.00 0.91 O ATOM 423 CB LEU A 30 8.723 7.699 -8.090 1.00 0.91 C ATOM 424 CG LEU A 30 10.198 7.297 -8.026 1.00 0.91 C ATOM 425 CD1 LEU A 30 10.550 6.869 -6.599 1.00 2.02 C ATOM 426 CD2 LEU A 30 10.624 6.160 -8.959 1.00 1.65 C ATOM 0 H LEU A 30 8.725 10.373 -8.380 1.00 0.82 H new ATOM 0 HA LEU A 30 8.800 8.074 -10.216 1.00 0.81 H new ATOM 0 HB2 LEU A 30 8.464 8.256 -7.190 1.00 0.91 H new ATOM 0 HB3 LEU A 30 8.106 6.800 -8.098 1.00 0.91 H new ATOM 0 HG LEU A 30 10.733 8.188 -8.356 1.00 0.91 H new ATOM 0 HD11 LEU A 30 11.601 6.583 -6.554 1.00 2.02 H new ATOM 0 HD12 LEU A 30 10.370 7.699 -5.915 1.00 2.02 H new ATOM 0 HD13 LEU A 30 9.930 6.020 -6.310 1.00 2.02 H new ATOM 0 HD21 LEU A 30 11.688 5.961 -8.828 1.00 1.65 H new ATOM 0 HD22 LEU A 30 10.055 5.261 -8.721 1.00 1.65 H new ATOM 0 HD23 LEU A 30 10.433 6.447 -9.993 1.00 1.65 H new ATOM 438 N ARG A 31 6.345 7.679 -10.151 1.00 0.80 N ATOM 439 CA ARG A 31 4.903 7.424 -10.284 1.00 0.74 C ATOM 440 C ARG A 31 4.594 5.956 -10.044 1.00 0.65 C ATOM 441 O ARG A 31 4.986 5.108 -10.843 1.00 0.60 O ATOM 442 CB ARG A 31 4.396 7.847 -11.663 1.00 0.82 C ATOM 443 CG ARG A 31 2.857 7.811 -11.697 1.00 0.83 C ATOM 444 CD ARG A 31 2.263 8.575 -12.882 1.00 1.03 C ATOM 445 NE ARG A 31 2.502 10.016 -12.738 1.00 1.26 N ATOM 446 CZ ARG A 31 2.225 10.985 -13.589 1.00 1.65 C ATOM 447 NH1 ARG A 31 1.607 10.756 -14.731 1.00 2.37 N ATOM 448 NH2 ARG A 31 2.586 12.210 -13.291 1.00 2.13 N ATOM 0 H ARG A 31 6.916 7.014 -10.673 1.00 0.80 H new ATOM 0 HA ARG A 31 4.389 8.020 -9.530 1.00 0.74 H new ATOM 0 HB2 ARG A 31 4.749 8.852 -11.896 1.00 0.82 H new ATOM 0 HB3 ARG A 31 4.800 7.182 -12.427 1.00 0.82 H new ATOM 0 HG2 ARG A 31 2.525 6.774 -11.738 1.00 0.83 H new ATOM 0 HG3 ARG A 31 2.469 8.233 -10.770 1.00 0.83 H new ATOM 0 HD2 ARG A 31 2.707 8.218 -13.811 1.00 1.03 H new ATOM 0 HD3 ARG A 31 1.192 8.383 -12.946 1.00 1.03 H new ATOM 0 HE ARG A 31 2.940 10.307 -11.864 1.00 1.26 H new ATOM 0 HH11 ARG A 31 1.328 9.807 -14.979 1.00 2.37 H new ATOM 0 HH12 ARG A 31 1.408 11.528 -15.367 1.00 2.37 H new ATOM 0 HH21 ARG A 31 3.072 12.400 -12.414 1.00 2.13 H new ATOM 0 HH22 ARG A 31 2.381 12.973 -13.936 1.00 2.13 H new ATOM 462 N LEU A 32 3.931 5.662 -8.933 1.00 0.67 N ATOM 463 CA LEU A 32 3.685 4.331 -8.383 1.00 0.54 C ATOM 464 C LEU A 32 2.282 3.892 -8.796 1.00 0.51 C ATOM 465 O LEU A 32 1.305 4.473 -8.339 1.00 0.54 O ATOM 466 CB LEU A 32 3.880 4.471 -6.862 1.00 0.54 C ATOM 467 CG LEU A 32 3.710 3.245 -5.942 1.00 0.71 C ATOM 468 CD1 LEU A 32 2.263 3.104 -5.454 1.00 2.16 C ATOM 469 CD2 LEU A 32 4.207 1.940 -6.569 1.00 1.72 C ATOM 0 H LEU A 32 3.523 6.394 -8.352 1.00 0.67 H new ATOM 0 HA LEU A 32 4.360 3.558 -8.752 1.00 0.54 H new ATOM 0 HB2 LEU A 32 4.885 4.860 -6.700 1.00 0.54 H new ATOM 0 HB3 LEU A 32 3.183 5.234 -6.516 1.00 0.54 H new ATOM 0 HG LEU A 32 4.348 3.433 -5.079 1.00 0.71 H new ATOM 0 HD11 LEU A 32 2.180 2.230 -4.808 1.00 2.16 H new ATOM 0 HD12 LEU A 32 1.979 3.996 -4.895 1.00 2.16 H new ATOM 0 HD13 LEU A 32 1.600 2.986 -6.311 1.00 2.16 H new ATOM 0 HD21 LEU A 32 4.057 1.119 -5.868 1.00 1.72 H new ATOM 0 HD22 LEU A 32 3.650 1.741 -7.485 1.00 1.72 H new ATOM 0 HD23 LEU A 32 5.268 2.029 -6.802 1.00 1.72 H new ATOM 481 N VAL A 33 2.189 2.904 -9.681 1.00 0.49 N ATOM 482 CA VAL A 33 0.956 2.558 -10.415 1.00 0.50 C ATOM 483 C VAL A 33 0.361 1.214 -9.942 1.00 0.47 C ATOM 484 O VAL A 33 -0.814 0.937 -10.169 1.00 0.54 O ATOM 485 CB VAL A 33 1.220 2.513 -11.949 1.00 0.51 C ATOM 486 CG1 VAL A 33 1.707 3.868 -12.501 1.00 0.59 C ATOM 487 CG2 VAL A 33 2.268 1.467 -12.386 1.00 0.45 C ATOM 0 H VAL A 33 2.979 2.304 -9.919 1.00 0.49 H new ATOM 0 HA VAL A 33 0.227 3.340 -10.202 1.00 0.50 H new ATOM 0 HB VAL A 33 0.246 2.241 -12.355 1.00 0.51 H new ATOM 0 HG11 VAL A 33 1.877 3.784 -13.574 1.00 0.59 H new ATOM 0 HG12 VAL A 33 0.952 4.631 -12.312 1.00 0.59 H new ATOM 0 HG13 VAL A 33 2.637 4.149 -12.008 1.00 0.59 H new ATOM 0 HG21 VAL A 33 2.390 1.504 -13.469 1.00 0.45 H new ATOM 0 HG22 VAL A 33 3.222 1.685 -11.906 1.00 0.45 H new ATOM 0 HG23 VAL A 33 1.933 0.472 -12.092 1.00 0.45 H new ATOM 497 N GLY A 34 1.194 0.363 -9.325 1.00 0.40 N ATOM 498 CA GLY A 34 0.841 -0.974 -8.838 1.00 0.38 C ATOM 499 C GLY A 34 1.840 -1.509 -7.816 1.00 0.35 C ATOM 500 O GLY A 34 2.811 -0.849 -7.451 1.00 0.38 O ATOM 0 H GLY A 34 2.170 0.599 -9.146 1.00 0.40 H new ATOM 0 HA2 GLY A 34 -0.151 -0.943 -8.388 1.00 0.38 H new ATOM 0 HA3 GLY A 34 0.787 -1.662 -9.682 1.00 0.38 H new ATOM 504 N ALA A 35 1.620 -2.750 -7.400 1.00 0.38 N ATOM 505 CA ALA A 35 2.525 -3.525 -6.554 1.00 0.40 C ATOM 506 C ALA A 35 2.606 -4.995 -7.016 1.00 0.48 C ATOM 507 O ALA A 35 2.031 -5.355 -8.043 1.00 0.58 O ATOM 508 CB ALA A 35 2.093 -3.355 -5.090 1.00 0.42 C ATOM 0 H ALA A 35 0.776 -3.265 -7.651 1.00 0.38 H new ATOM 0 HA ALA A 35 3.545 -3.150 -6.644 1.00 0.40 H new ATOM 0 HB1 ALA A 35 2.759 -3.928 -4.445 1.00 0.42 H new ATOM 0 HB2 ALA A 35 2.141 -2.301 -4.817 1.00 0.42 H new ATOM 0 HB3 ALA A 35 1.072 -3.715 -4.968 1.00 0.42 H new ATOM 514 N ARG A 36 3.318 -5.842 -6.268 1.00 0.53 N ATOM 515 CA ARG A 36 3.243 -7.311 -6.337 1.00 0.54 C ATOM 516 C ARG A 36 3.701 -7.873 -4.994 1.00 0.53 C ATOM 517 O ARG A 36 4.471 -7.223 -4.309 1.00 0.64 O ATOM 518 CB ARG A 36 4.101 -7.878 -7.485 1.00 0.64 C ATOM 519 CG ARG A 36 3.249 -8.479 -8.592 1.00 1.11 C ATOM 520 CD ARG A 36 4.095 -9.280 -9.590 1.00 1.70 C ATOM 521 NE ARG A 36 3.238 -10.206 -10.356 1.00 2.37 N ATOM 522 CZ ARG A 36 2.812 -11.393 -9.929 1.00 3.25 C ATOM 523 NH1 ARG A 36 3.307 -11.962 -8.846 1.00 3.82 N ATOM 524 NH2 ARG A 36 1.862 -12.026 -10.587 1.00 4.31 N ATOM 0 H ARG A 36 3.988 -5.516 -5.571 1.00 0.53 H new ATOM 0 HA ARG A 36 2.215 -7.607 -6.543 1.00 0.54 H new ATOM 0 HB2 ARG A 36 4.724 -7.084 -7.898 1.00 0.64 H new ATOM 0 HB3 ARG A 36 4.774 -8.640 -7.092 1.00 0.64 H new ATOM 0 HG2 ARG A 36 2.490 -9.128 -8.155 1.00 1.11 H new ATOM 0 HG3 ARG A 36 2.722 -7.683 -9.118 1.00 1.11 H new ATOM 0 HD2 ARG A 36 4.608 -8.601 -10.271 1.00 1.70 H new ATOM 0 HD3 ARG A 36 4.864 -9.840 -9.059 1.00 1.70 H new ATOM 0 HE ARG A 36 2.948 -9.913 -11.289 1.00 2.37 H new ATOM 0 HH11 ARG A 36 4.037 -11.491 -8.311 1.00 3.82 H new ATOM 0 HH12 ARG A 36 2.960 -12.872 -8.544 1.00 3.82 H new ATOM 0 HH21 ARG A 36 1.454 -11.607 -11.422 1.00 4.31 H new ATOM 0 HH22 ARG A 36 1.535 -12.935 -10.261 1.00 4.31 H new ATOM 538 N THR A 37 3.271 -9.069 -4.604 1.00 0.60 N ATOM 539 CA THR A 37 3.583 -9.687 -3.294 1.00 0.67 C ATOM 540 C THR A 37 3.186 -11.166 -3.327 1.00 0.84 C ATOM 541 O THR A 37 2.242 -11.488 -4.052 1.00 0.93 O ATOM 542 CB THR A 37 2.898 -8.911 -2.156 1.00 0.77 C ATOM 543 OG1 THR A 37 3.318 -9.391 -0.909 1.00 1.12 O ATOM 544 CG2 THR A 37 1.369 -8.949 -2.191 1.00 0.88 C ATOM 0 H THR A 37 2.683 -9.658 -5.193 1.00 0.60 H new ATOM 0 HA THR A 37 4.654 -9.635 -3.100 1.00 0.67 H new ATOM 0 HB THR A 37 3.200 -7.875 -2.308 1.00 0.77 H new ATOM 0 HG1 THR A 37 4.144 -8.935 -0.644 1.00 1.12 H new ATOM 0 HG21 THR A 37 0.972 -8.377 -1.353 1.00 0.88 H new ATOM 0 HG22 THR A 37 1.016 -8.516 -3.127 1.00 0.88 H new ATOM 0 HG23 THR A 37 1.029 -9.982 -2.118 1.00 0.88 H new ATOM 552 N PRO A 38 3.854 -12.086 -2.599 1.00 0.93 N ATOM 553 CA PRO A 38 3.567 -13.516 -2.710 1.00 1.00 C ATOM 554 C PRO A 38 2.322 -13.945 -1.925 1.00 1.07 C ATOM 555 O PRO A 38 1.749 -14.990 -2.223 1.00 1.15 O ATOM 556 CB PRO A 38 4.833 -14.209 -2.211 1.00 1.02 C ATOM 557 CG PRO A 38 5.439 -13.230 -1.209 1.00 1.00 C ATOM 558 CD PRO A 38 5.009 -11.864 -1.735 1.00 0.98 C ATOM 0 HA PRO A 38 3.328 -13.790 -3.737 1.00 1.00 H new ATOM 0 HB2 PRO A 38 4.602 -15.165 -1.741 1.00 1.02 H new ATOM 0 HB3 PRO A 38 5.522 -14.414 -3.031 1.00 1.02 H new ATOM 0 HG2 PRO A 38 5.066 -13.407 -0.200 1.00 1.00 H new ATOM 0 HG3 PRO A 38 6.524 -13.320 -1.167 1.00 1.00 H new ATOM 0 HD2 PRO A 38 4.753 -11.197 -0.912 1.00 0.98 H new ATOM 0 HD3 PRO A 38 5.820 -11.391 -2.289 1.00 0.98 H new ATOM 566 N VAL A 39 1.873 -13.146 -0.956 1.00 1.12 N ATOM 567 CA VAL A 39 0.700 -13.452 -0.112 1.00 1.16 C ATOM 568 C VAL A 39 -0.639 -12.990 -0.715 1.00 0.92 C ATOM 569 O VAL A 39 -1.636 -12.890 -0.009 1.00 0.91 O ATOM 570 CB VAL A 39 0.892 -12.910 1.320 1.00 1.28 C ATOM 571 CG1 VAL A 39 2.123 -13.540 1.986 1.00 1.55 C ATOM 572 CG2 VAL A 39 1.001 -11.376 1.330 1.00 1.17 C ATOM 0 H VAL A 39 2.314 -12.255 -0.726 1.00 1.12 H new ATOM 0 HA VAL A 39 0.638 -14.539 -0.068 1.00 1.16 H new ATOM 0 HB VAL A 39 0.009 -13.188 1.895 1.00 1.28 H new ATOM 0 HG11 VAL A 39 2.236 -13.141 2.994 1.00 1.55 H new ATOM 0 HG12 VAL A 39 1.996 -14.621 2.036 1.00 1.55 H new ATOM 0 HG13 VAL A 39 3.013 -13.306 1.402 1.00 1.55 H new ATOM 0 HG21 VAL A 39 1.136 -11.027 2.354 1.00 1.17 H new ATOM 0 HG22 VAL A 39 1.855 -11.068 0.727 1.00 1.17 H new ATOM 0 HG23 VAL A 39 0.090 -10.944 0.916 1.00 1.17 H new ATOM 582 N ALA A 40 -0.679 -12.723 -2.023 1.00 0.82 N ATOM 583 CA ALA A 40 -1.857 -12.295 -2.794 1.00 0.67 C ATOM 584 C ALA A 40 -1.694 -12.723 -4.270 1.00 0.80 C ATOM 585 O ALA A 40 -0.651 -13.253 -4.656 1.00 1.25 O ATOM 586 CB ALA A 40 -1.978 -10.772 -2.658 1.00 0.60 C ATOM 0 H ALA A 40 0.153 -12.803 -2.607 1.00 0.82 H new ATOM 0 HA ALA A 40 -2.767 -12.763 -2.417 1.00 0.67 H new ATOM 0 HB1 ALA A 40 -2.845 -10.424 -3.220 1.00 0.60 H new ATOM 0 HB2 ALA A 40 -2.098 -10.509 -1.607 1.00 0.60 H new ATOM 0 HB3 ALA A 40 -1.078 -10.299 -3.050 1.00 0.60 H new ATOM 592 N GLU A 41 -2.713 -12.505 -5.100 1.00 0.78 N ATOM 593 CA GLU A 41 -2.717 -12.801 -6.538 1.00 0.94 C ATOM 594 C GLU A 41 -2.744 -11.540 -7.414 1.00 0.97 C ATOM 595 O GLU A 41 -2.186 -11.530 -8.512 1.00 1.13 O ATOM 596 CB GLU A 41 -3.956 -13.659 -6.819 1.00 0.97 C ATOM 597 CG GLU A 41 -3.948 -14.227 -8.237 1.00 1.18 C ATOM 598 CD GLU A 41 -4.874 -15.432 -8.308 1.00 1.55 C ATOM 599 OE1 GLU A 41 -4.374 -16.528 -7.980 1.00 2.63 O ATOM 600 OE2 GLU A 41 -6.074 -15.237 -8.609 1.00 2.73 O ATOM 0 H GLU A 41 -3.594 -12.102 -4.780 1.00 0.78 H new ATOM 0 HA GLU A 41 -1.793 -13.321 -6.791 1.00 0.94 H new ATOM 0 HB2 GLU A 41 -4.001 -14.478 -6.101 1.00 0.97 H new ATOM 0 HB3 GLU A 41 -4.854 -13.058 -6.674 1.00 0.97 H new ATOM 0 HG2 GLU A 41 -4.271 -13.465 -8.947 1.00 1.18 H new ATOM 0 HG3 GLU A 41 -2.935 -14.516 -8.518 1.00 1.18 H new ATOM 607 N ARG A 42 -3.400 -10.489 -6.910 1.00 1.00 N ATOM 608 CA ARG A 42 -3.587 -9.161 -7.485 1.00 1.05 C ATOM 609 C ARG A 42 -3.430 -8.163 -6.318 1.00 0.94 C ATOM 610 O ARG A 42 -3.499 -8.567 -5.150 1.00 1.22 O ATOM 611 CB ARG A 42 -4.975 -9.073 -8.156 1.00 1.14 C ATOM 612 CG ARG A 42 -5.233 -10.154 -9.217 1.00 1.61 C ATOM 613 CD ARG A 42 -6.684 -10.123 -9.725 1.00 1.71 C ATOM 614 NE ARG A 42 -7.008 -11.359 -10.470 1.00 2.87 N ATOM 615 CZ ARG A 42 -7.104 -12.569 -9.926 1.00 4.27 C ATOM 616 NH1 ARG A 42 -7.178 -12.757 -8.628 1.00 5.09 N ATOM 617 NH2 ARG A 42 -7.068 -13.659 -10.655 1.00 5.56 N ATOM 0 H ARG A 42 -3.856 -10.559 -6.000 1.00 1.00 H new ATOM 0 HA ARG A 42 -2.859 -8.936 -8.264 1.00 1.05 H new ATOM 0 HB2 ARG A 42 -5.743 -9.145 -7.386 1.00 1.14 H new ATOM 0 HB3 ARG A 42 -5.080 -8.092 -8.620 1.00 1.14 H new ATOM 0 HG2 ARG A 42 -4.552 -10.010 -10.055 1.00 1.61 H new ATOM 0 HG3 ARG A 42 -5.017 -11.136 -8.795 1.00 1.61 H new ATOM 0 HD2 ARG A 42 -7.366 -10.012 -8.882 1.00 1.71 H new ATOM 0 HD3 ARG A 42 -6.830 -9.256 -10.370 1.00 1.71 H new ATOM 0 HE ARG A 42 -7.170 -11.278 -11.474 1.00 2.87 H new ATOM 0 HH11 ARG A 42 -7.163 -11.957 -7.995 1.00 5.09 H new ATOM 0 HH12 ARG A 42 -7.251 -13.703 -8.253 1.00 5.09 H new ATOM 0 HH21 ARG A 42 -6.964 -13.592 -11.667 1.00 5.56 H new ATOM 0 HH22 ARG A 42 -7.144 -14.573 -10.209 1.00 5.56 H new ATOM 631 N VAL A 43 -3.146 -6.905 -6.598 1.00 0.81 N ATOM 632 CA VAL A 43 -2.826 -5.876 -5.615 1.00 0.80 C ATOM 633 C VAL A 43 -3.102 -4.483 -6.172 1.00 1.12 C ATOM 634 O VAL A 43 -2.420 -3.976 -7.063 1.00 1.88 O ATOM 635 CB VAL A 43 -1.411 -6.080 -5.092 1.00 0.82 C ATOM 636 CG1 VAL A 43 -0.298 -5.955 -6.134 1.00 1.11 C ATOM 637 CG2 VAL A 43 -1.118 -5.208 -3.871 1.00 1.01 C ATOM 0 H VAL A 43 -3.130 -6.553 -7.555 1.00 0.81 H new ATOM 0 HA VAL A 43 -3.484 -5.968 -4.751 1.00 0.80 H new ATOM 0 HB VAL A 43 -1.397 -7.127 -4.791 1.00 0.82 H new ATOM 0 HG11 VAL A 43 0.668 -6.118 -5.656 1.00 1.11 H new ATOM 0 HG12 VAL A 43 -0.446 -6.700 -6.916 1.00 1.11 H new ATOM 0 HG13 VAL A 43 -0.322 -4.958 -6.574 1.00 1.11 H new ATOM 0 HG21 VAL A 43 -0.097 -5.387 -3.533 1.00 1.01 H new ATOM 0 HG22 VAL A 43 -1.233 -4.157 -4.138 1.00 1.01 H new ATOM 0 HG23 VAL A 43 -1.815 -5.457 -3.070 1.00 1.01 H new ATOM 647 N GLU A 44 -4.179 -3.906 -5.654 1.00 0.60 N ATOM 648 CA GLU A 44 -4.898 -2.798 -6.283 1.00 0.48 C ATOM 649 C GLU A 44 -4.965 -1.576 -5.365 1.00 0.49 C ATOM 650 O GLU A 44 -5.256 -1.667 -4.170 1.00 0.97 O ATOM 651 CB GLU A 44 -6.299 -3.240 -6.723 1.00 0.87 C ATOM 652 CG GLU A 44 -6.275 -4.047 -8.032 1.00 1.85 C ATOM 653 CD GLU A 44 -5.705 -5.455 -7.872 1.00 3.83 C ATOM 654 OE1 GLU A 44 -6.330 -6.273 -7.164 1.00 4.41 O ATOM 655 OE2 GLU A 44 -4.643 -5.742 -8.473 1.00 5.39 O ATOM 0 H GLU A 44 -4.588 -4.199 -4.767 1.00 0.60 H new ATOM 0 HA GLU A 44 -4.341 -2.503 -7.172 1.00 0.48 H new ATOM 0 HB2 GLU A 44 -6.751 -3.843 -5.936 1.00 0.87 H new ATOM 0 HB3 GLU A 44 -6.930 -2.361 -6.853 1.00 0.87 H new ATOM 0 HG2 GLU A 44 -7.289 -4.117 -8.424 1.00 1.85 H new ATOM 0 HG3 GLU A 44 -5.684 -3.507 -8.771 1.00 1.85 H new ATOM 662 N LEU A 45 -4.648 -0.420 -5.943 1.00 0.44 N ATOM 663 CA LEU A 45 -4.306 0.787 -5.201 1.00 0.46 C ATOM 664 C LEU A 45 -5.550 1.576 -4.785 1.00 0.43 C ATOM 665 O LEU A 45 -6.354 1.987 -5.629 1.00 0.49 O ATOM 666 CB LEU A 45 -3.365 1.608 -6.091 1.00 0.67 C ATOM 667 CG LEU A 45 -2.823 2.885 -5.433 1.00 0.56 C ATOM 668 CD1 LEU A 45 -1.878 2.627 -4.252 1.00 0.66 C ATOM 669 CD2 LEU A 45 -2.089 3.677 -6.511 1.00 0.97 C ATOM 0 H LEU A 45 -4.622 -0.295 -6.955 1.00 0.44 H new ATOM 0 HA LEU A 45 -3.809 0.532 -4.265 1.00 0.46 H new ATOM 0 HB2 LEU A 45 -2.524 0.981 -6.386 1.00 0.67 H new ATOM 0 HB3 LEU A 45 -3.894 1.881 -7.004 1.00 0.67 H new ATOM 0 HG LEU A 45 -3.669 3.432 -5.017 1.00 0.56 H new ATOM 0 HD11 LEU A 45 -1.539 3.579 -3.843 1.00 0.66 H new ATOM 0 HD12 LEU A 45 -2.405 2.067 -3.480 1.00 0.66 H new ATOM 0 HD13 LEU A 45 -1.017 2.052 -4.594 1.00 0.66 H new ATOM 0 HD21 LEU A 45 -1.689 4.594 -6.079 1.00 0.97 H new ATOM 0 HD22 LEU A 45 -1.271 3.077 -6.910 1.00 0.97 H new ATOM 0 HD23 LEU A 45 -2.782 3.926 -7.315 1.00 0.97 H new ATOM 681 N HIS A 46 -5.686 1.832 -3.486 1.00 0.40 N ATOM 682 CA HIS A 46 -6.786 2.584 -2.882 1.00 0.39 C ATOM 683 C HIS A 46 -6.315 3.819 -2.106 1.00 0.39 C ATOM 684 O HIS A 46 -5.167 3.930 -1.669 1.00 0.45 O ATOM 685 CB HIS A 46 -7.561 1.677 -1.912 1.00 0.41 C ATOM 686 CG HIS A 46 -8.345 0.525 -2.474 1.00 0.44 C ATOM 687 ND1 HIS A 46 -8.976 -0.416 -1.681 1.00 0.49 N ATOM 688 CD2 HIS A 46 -8.561 0.181 -3.778 1.00 0.48 C ATOM 689 CE1 HIS A 46 -9.551 -1.301 -2.494 1.00 0.56 C ATOM 690 NE2 HIS A 46 -9.315 -0.972 -3.775 1.00 0.55 N ATOM 0 H HIS A 46 -5.007 1.509 -2.797 1.00 0.40 H new ATOM 0 HA HIS A 46 -7.416 2.923 -3.704 1.00 0.39 H new ATOM 0 HB2 HIS A 46 -6.847 1.272 -1.195 1.00 0.41 H new ATOM 0 HB3 HIS A 46 -8.253 2.306 -1.352 1.00 0.41 H new ATOM 0 HD1 HIS A 46 -8.997 -0.430 -0.661 1.00 0.49 H new ATOM 0 HD2 HIS A 46 -8.207 0.713 -4.649 1.00 0.48 H new ATOM 0 HE1 HIS A 46 -10.123 -2.158 -2.171 1.00 0.56 H new ATOM 698 N GLU A 47 -7.275 4.708 -1.877 1.00 0.43 N ATOM 699 CA GLU A 47 -7.234 5.799 -0.909 1.00 0.42 C ATOM 700 C GLU A 47 -8.161 5.505 0.282 1.00 0.49 C ATOM 701 O GLU A 47 -8.682 4.391 0.424 1.00 0.84 O ATOM 702 CB GLU A 47 -7.483 7.127 -1.638 1.00 0.40 C ATOM 703 CG GLU A 47 -8.817 7.329 -2.357 1.00 0.45 C ATOM 704 CD GLU A 47 -9.980 7.553 -1.412 1.00 1.73 C ATOM 705 OE1 GLU A 47 -10.505 6.545 -0.896 1.00 3.29 O ATOM 706 OE2 GLU A 47 -10.413 8.723 -1.303 1.00 2.37 O ATOM 0 H GLU A 47 -8.155 4.685 -2.392 1.00 0.43 H new ATOM 0 HA GLU A 47 -6.247 5.891 -0.456 1.00 0.42 H new ATOM 0 HB2 GLU A 47 -7.375 7.930 -0.909 1.00 0.40 H new ATOM 0 HB3 GLU A 47 -6.688 7.255 -2.373 1.00 0.40 H new ATOM 0 HG2 GLU A 47 -8.734 8.184 -3.029 1.00 0.45 H new ATOM 0 HG3 GLU A 47 -9.024 6.456 -2.976 1.00 0.45 H new ATOM 713 N THR A 48 -8.322 6.468 1.193 1.00 0.60 N ATOM 714 CA THR A 48 -9.369 6.460 2.232 1.00 0.59 C ATOM 715 C THR A 48 -9.801 7.902 2.479 1.00 0.68 C ATOM 716 O THR A 48 -8.939 8.780 2.524 1.00 0.82 O ATOM 717 CB THR A 48 -8.830 5.786 3.496 1.00 0.68 C ATOM 718 OG1 THR A 48 -8.603 4.441 3.156 1.00 0.81 O ATOM 719 CG2 THR A 48 -9.782 5.804 4.691 1.00 0.76 C ATOM 0 H THR A 48 -7.721 7.291 1.235 1.00 0.60 H new ATOM 0 HA THR A 48 -10.241 5.888 1.915 1.00 0.59 H new ATOM 0 HB THR A 48 -7.942 6.336 3.808 1.00 0.68 H new ATOM 0 HG1 THR A 48 -8.745 4.318 2.194 1.00 0.81 H new ATOM 0 HG21 THR A 48 -9.312 5.304 5.538 1.00 0.76 H new ATOM 0 HG22 THR A 48 -10.009 6.836 4.959 1.00 0.76 H new ATOM 0 HG23 THR A 48 -10.704 5.285 4.429 1.00 0.76 H new ATOM 727 N PHE A 49 -11.107 8.144 2.641 1.00 0.70 N ATOM 728 CA PHE A 49 -11.695 9.485 2.731 1.00 0.85 C ATOM 729 C PHE A 49 -12.732 9.640 3.848 1.00 0.78 C ATOM 730 O PHE A 49 -13.189 8.685 4.475 1.00 0.68 O ATOM 731 CB PHE A 49 -12.320 9.873 1.376 1.00 1.05 C ATOM 732 CG PHE A 49 -13.576 9.118 0.950 1.00 1.10 C ATOM 733 CD1 PHE A 49 -14.837 9.570 1.384 1.00 2.29 C ATOM 734 CD2 PHE A 49 -13.513 7.997 0.097 1.00 1.81 C ATOM 735 CE1 PHE A 49 -16.013 8.911 0.991 1.00 2.41 C ATOM 736 CE2 PHE A 49 -14.692 7.355 -0.326 1.00 1.84 C ATOM 737 CZ PHE A 49 -15.942 7.816 0.115 1.00 1.37 C ATOM 0 H PHE A 49 -11.798 7.398 2.715 1.00 0.70 H new ATOM 0 HA PHE A 49 -10.877 10.159 2.984 1.00 0.85 H new ATOM 0 HB2 PHE A 49 -12.558 10.936 1.405 1.00 1.05 H new ATOM 0 HB3 PHE A 49 -11.564 9.736 0.603 1.00 1.05 H new ATOM 0 HD1 PHE A 49 -14.901 10.435 2.028 1.00 2.29 H new ATOM 0 HD2 PHE A 49 -12.553 7.628 -0.234 1.00 1.81 H new ATOM 0 HE1 PHE A 49 -16.970 9.246 1.362 1.00 2.41 H new ATOM 0 HE2 PHE A 49 -14.635 6.506 -0.991 1.00 1.84 H new ATOM 0 HZ PHE A 49 -16.847 7.330 -0.219 1.00 1.37 H new ATOM 747 N MET A 50 -13.168 10.889 4.028 1.00 0.93 N ATOM 748 CA MET A 50 -14.278 11.311 4.873 1.00 0.96 C ATOM 749 C MET A 50 -15.353 12.067 4.073 1.00 0.91 C ATOM 750 O MET A 50 -15.049 12.852 3.175 1.00 0.90 O ATOM 751 CB MET A 50 -13.739 12.119 6.059 1.00 1.03 C ATOM 752 CG MET A 50 -13.093 13.457 5.694 1.00 2.23 C ATOM 753 SD MET A 50 -11.466 13.370 4.900 1.00 4.07 S ATOM 754 CE MET A 50 -11.626 14.756 3.750 1.00 5.11 C ATOM 0 H MET A 50 -12.725 11.678 3.557 1.00 0.93 H new ATOM 0 HA MET A 50 -14.780 10.428 5.268 1.00 0.96 H new ATOM 0 HB2 MET A 50 -14.558 12.306 6.753 1.00 1.03 H new ATOM 0 HB3 MET A 50 -13.005 11.512 6.589 1.00 1.03 H new ATOM 0 HG2 MET A 50 -13.770 13.994 5.030 1.00 2.23 H new ATOM 0 HG3 MET A 50 -12.999 14.051 6.603 1.00 2.23 H new ATOM 0 HE1 MET A 50 -10.708 14.855 3.170 1.00 5.11 H new ATOM 0 HE2 MET A 50 -12.463 14.575 3.076 1.00 5.11 H new ATOM 0 HE3 MET A 50 -11.803 15.675 4.310 1.00 5.11 H new ATOM 764 N ARG A 51 -16.621 11.832 4.418 1.00 0.96 N ATOM 765 CA ARG A 51 -17.811 12.530 3.912 1.00 0.97 C ATOM 766 C ARG A 51 -18.741 12.926 5.067 1.00 0.94 C ATOM 767 O ARG A 51 -18.743 12.335 6.147 1.00 0.91 O ATOM 768 CB ARG A 51 -18.589 11.655 2.896 1.00 1.22 C ATOM 769 CG ARG A 51 -18.355 12.035 1.416 1.00 1.90 C ATOM 770 CD ARG A 51 -19.628 12.409 0.628 1.00 2.61 C ATOM 771 NE ARG A 51 -20.269 13.676 1.057 1.00 4.12 N ATOM 772 CZ ARG A 51 -20.573 14.736 0.306 1.00 5.17 C ATOM 773 NH1 ARG A 51 -20.221 14.855 -0.961 1.00 5.29 N ATOM 774 NH2 ARG A 51 -21.271 15.710 0.845 1.00 6.74 N ATOM 0 H ARG A 51 -16.861 11.109 5.096 1.00 0.96 H new ATOM 0 HA ARG A 51 -17.468 13.431 3.403 1.00 0.97 H new ATOM 0 HB2 ARG A 51 -18.305 10.613 3.040 1.00 1.22 H new ATOM 0 HB3 ARG A 51 -19.655 11.728 3.113 1.00 1.22 H new ATOM 0 HG2 ARG A 51 -17.662 12.876 1.378 1.00 1.90 H new ATOM 0 HG3 ARG A 51 -17.868 11.198 0.915 1.00 1.90 H new ATOM 0 HD2 ARG A 51 -19.376 12.485 -0.430 1.00 2.61 H new ATOM 0 HD3 ARG A 51 -20.351 11.600 0.726 1.00 2.61 H new ATOM 0 HE ARG A 51 -20.506 13.745 2.047 1.00 4.12 H new ATOM 0 HH11 ARG A 51 -19.688 14.113 -1.414 1.00 5.29 H new ATOM 0 HH12 ARG A 51 -20.482 15.689 -1.487 1.00 5.29 H new ATOM 0 HH21 ARG A 51 -21.569 15.646 1.818 1.00 6.74 H new ATOM 0 HH22 ARG A 51 -21.515 16.530 0.290 1.00 6.74 H new ATOM 788 N GLU A 52 -19.587 13.909 4.795 1.00 1.04 N ATOM 789 CA GLU A 52 -20.734 14.310 5.578 1.00 1.10 C ATOM 790 C GLU A 52 -21.920 14.369 4.610 1.00 1.55 C ATOM 791 O GLU A 52 -21.756 14.862 3.488 1.00 1.93 O ATOM 792 CB GLU A 52 -20.390 15.668 6.186 1.00 1.39 C ATOM 793 CG GLU A 52 -21.556 16.261 6.962 1.00 1.42 C ATOM 794 CD GLU A 52 -21.043 16.920 8.236 1.00 1.83 C ATOM 795 OE1 GLU A 52 -20.092 17.731 8.161 1.00 2.75 O ATOM 796 OE2 GLU A 52 -21.475 16.511 9.335 1.00 2.58 O ATOM 0 H GLU A 52 -19.477 14.485 3.960 1.00 1.04 H new ATOM 0 HA GLU A 52 -20.990 13.629 6.390 1.00 1.10 H new ATOM 0 HB2 GLU A 52 -19.531 15.561 6.849 1.00 1.39 H new ATOM 0 HB3 GLU A 52 -20.096 16.356 5.393 1.00 1.39 H new ATOM 0 HG2 GLU A 52 -22.079 16.994 6.347 1.00 1.42 H new ATOM 0 HG3 GLU A 52 -22.275 15.480 7.209 1.00 1.42 H new ATOM 803 N VAL A 53 -23.061 13.791 4.995 1.00 1.64 N ATOM 804 CA VAL A 53 -24.221 13.559 4.102 1.00 1.91 C ATOM 805 C VAL A 53 -25.575 13.575 4.836 1.00 1.98 C ATOM 806 O VAL A 53 -26.596 13.189 4.279 1.00 3.48 O ATOM 807 CB VAL A 53 -24.073 12.227 3.308 1.00 2.19 C ATOM 808 CG1 VAL A 53 -22.953 12.278 2.257 1.00 3.19 C ATOM 809 CG2 VAL A 53 -23.821 11.010 4.218 1.00 2.30 C ATOM 0 H VAL A 53 -23.216 13.463 5.948 1.00 1.64 H new ATOM 0 HA VAL A 53 -24.219 14.399 3.407 1.00 1.91 H new ATOM 0 HB VAL A 53 -25.033 12.109 2.806 1.00 2.19 H new ATOM 0 HG11 VAL A 53 -22.898 11.322 1.737 1.00 3.19 H new ATOM 0 HG12 VAL A 53 -23.164 13.070 1.539 1.00 3.19 H new ATOM 0 HG13 VAL A 53 -22.001 12.478 2.749 1.00 3.19 H new ATOM 0 HG21 VAL A 53 -23.727 10.112 3.607 1.00 2.30 H new ATOM 0 HG22 VAL A 53 -22.902 11.163 4.783 1.00 2.30 H new ATOM 0 HG23 VAL A 53 -24.656 10.893 4.909 1.00 2.30 H new ATOM 819 N GLU A 54 -25.574 13.982 6.109 1.00 1.67 N ATOM 820 CA GLU A 54 -26.614 13.608 7.079 1.00 1.80 C ATOM 821 C GLU A 54 -26.537 14.416 8.395 1.00 1.81 C ATOM 822 O GLU A 54 -26.991 13.957 9.441 1.00 2.04 O ATOM 823 CB GLU A 54 -26.473 12.098 7.370 1.00 2.12 C ATOM 824 CG GLU A 54 -27.804 11.427 7.731 1.00 2.68 C ATOM 825 CD GLU A 54 -27.628 10.174 8.590 1.00 3.40 C ATOM 826 OE1 GLU A 54 -26.479 9.759 8.873 1.00 4.26 O ATOM 827 OE2 GLU A 54 -28.642 9.716 9.166 1.00 3.86 O ATOM 0 H GLU A 54 -24.849 14.583 6.500 1.00 1.67 H new ATOM 0 HA GLU A 54 -27.586 13.838 6.644 1.00 1.80 H new ATOM 0 HB2 GLU A 54 -26.049 11.604 6.496 1.00 2.12 H new ATOM 0 HB3 GLU A 54 -25.768 11.956 8.189 1.00 2.12 H new ATOM 0 HG2 GLU A 54 -28.432 12.141 8.264 1.00 2.68 H new ATOM 0 HG3 GLU A 54 -28.331 11.161 6.815 1.00 2.68 H new ATOM 834 N GLY A 55 -25.848 15.567 8.390 1.00 1.87 N ATOM 835 CA GLY A 55 -25.490 16.295 9.626 1.00 2.04 C ATOM 836 C GLY A 55 -24.513 15.523 10.526 1.00 1.80 C ATOM 837 O GLY A 55 -24.334 15.857 11.696 1.00 2.01 O ATOM 0 H GLY A 55 -25.523 16.021 7.536 1.00 1.87 H new ATOM 0 HA2 GLY A 55 -25.046 17.254 9.359 1.00 2.04 H new ATOM 0 HA3 GLY A 55 -26.398 16.510 10.189 1.00 2.04 H new ATOM 841 N LYS A 56 -23.906 14.466 9.982 1.00 1.50 N ATOM 842 CA LYS A 56 -23.039 13.499 10.620 1.00 1.39 C ATOM 843 C LYS A 56 -21.955 13.109 9.610 1.00 1.19 C ATOM 844 O LYS A 56 -22.173 13.046 8.393 1.00 1.45 O ATOM 845 CB LYS A 56 -23.854 12.267 11.054 1.00 1.61 C ATOM 846 CG LYS A 56 -24.710 12.524 12.306 1.00 2.31 C ATOM 847 CD LYS A 56 -25.590 11.310 12.628 1.00 2.36 C ATOM 848 CE LYS A 56 -26.819 11.279 11.711 1.00 2.15 C ATOM 849 NZ LYS A 56 -27.283 9.898 11.455 1.00 2.90 N ATOM 0 H LYS A 56 -24.027 14.255 8.991 1.00 1.50 H new ATOM 0 HA LYS A 56 -22.579 13.921 11.514 1.00 1.39 H new ATOM 0 HB2 LYS A 56 -24.503 11.960 10.234 1.00 1.61 H new ATOM 0 HB3 LYS A 56 -23.173 11.438 11.250 1.00 1.61 H new ATOM 0 HG2 LYS A 56 -24.063 12.744 13.155 1.00 2.31 H new ATOM 0 HG3 LYS A 56 -25.338 13.401 12.148 1.00 2.31 H new ATOM 0 HD2 LYS A 56 -25.014 10.393 12.505 1.00 2.36 H new ATOM 0 HD3 LYS A 56 -25.907 11.350 13.670 1.00 2.36 H new ATOM 0 HE2 LYS A 56 -27.625 11.854 12.166 1.00 2.15 H new ATOM 0 HE3 LYS A 56 -26.577 11.762 10.764 1.00 2.15 H new ATOM 0 HZ1 LYS A 56 -28.206 9.925 10.976 1.00 2.90 H new ATOM 0 HZ2 LYS A 56 -26.594 9.407 10.851 1.00 2.90 H new ATOM 0 HZ3 LYS A 56 -27.376 9.390 12.358 1.00 2.90 H new ATOM 863 N LYS A 57 -20.772 12.855 10.150 1.00 1.00 N ATOM 864 CA LYS A 57 -19.512 12.635 9.444 1.00 0.95 C ATOM 865 C LYS A 57 -19.161 11.140 9.484 1.00 0.95 C ATOM 866 O LYS A 57 -19.250 10.520 10.538 1.00 1.10 O ATOM 867 CB LYS A 57 -18.416 13.507 10.101 1.00 1.10 C ATOM 868 CG LYS A 57 -18.882 14.966 10.271 1.00 1.99 C ATOM 869 CD LYS A 57 -17.830 15.930 10.827 1.00 2.28 C ATOM 870 CE LYS A 57 -18.465 17.148 11.535 1.00 2.68 C ATOM 871 NZ LYS A 57 -19.538 17.809 10.746 1.00 2.98 N ATOM 0 H LYS A 57 -20.656 12.792 11.161 1.00 1.00 H new ATOM 0 HA LYS A 57 -19.596 12.925 8.397 1.00 0.95 H new ATOM 0 HB2 LYS A 57 -18.154 13.092 11.074 1.00 1.10 H new ATOM 0 HB3 LYS A 57 -17.514 13.481 9.490 1.00 1.10 H new ATOM 0 HG2 LYS A 57 -19.216 15.338 9.302 1.00 1.99 H new ATOM 0 HG3 LYS A 57 -19.748 14.978 10.933 1.00 1.99 H new ATOM 0 HD2 LYS A 57 -17.189 15.398 11.530 1.00 2.28 H new ATOM 0 HD3 LYS A 57 -17.193 16.277 10.014 1.00 2.28 H new ATOM 0 HE2 LYS A 57 -18.876 16.826 12.492 1.00 2.68 H new ATOM 0 HE3 LYS A 57 -17.685 17.878 11.752 1.00 2.68 H new ATOM 0 HZ1 LYS A 57 -19.751 18.738 11.161 1.00 2.98 H new ATOM 0 HZ2 LYS A 57 -19.220 17.933 9.764 1.00 2.98 H new ATOM 0 HZ3 LYS A 57 -20.394 17.218 10.761 1.00 2.98 H new ATOM 885 N VAL A 58 -18.773 10.579 8.344 1.00 0.88 N ATOM 886 CA VAL A 58 -18.572 9.135 8.136 1.00 0.98 C ATOM 887 C VAL A 58 -17.584 8.891 6.994 1.00 0.99 C ATOM 888 O VAL A 58 -17.463 9.709 6.085 1.00 1.24 O ATOM 889 CB VAL A 58 -19.929 8.416 7.911 1.00 1.23 C ATOM 890 CG1 VAL A 58 -20.629 8.870 6.615 1.00 2.12 C ATOM 891 CG2 VAL A 58 -19.792 6.886 7.932 1.00 2.31 C ATOM 0 H VAL A 58 -18.581 11.129 7.506 1.00 0.88 H new ATOM 0 HA VAL A 58 -18.134 8.705 9.037 1.00 0.98 H new ATOM 0 HB VAL A 58 -20.557 8.710 8.752 1.00 1.23 H new ATOM 0 HG11 VAL A 58 -21.573 8.337 6.506 1.00 2.12 H new ATOM 0 HG12 VAL A 58 -20.821 9.942 6.661 1.00 2.12 H new ATOM 0 HG13 VAL A 58 -19.988 8.653 5.760 1.00 2.12 H new ATOM 0 HG21 VAL A 58 -20.769 6.431 7.770 1.00 2.31 H new ATOM 0 HG22 VAL A 58 -19.110 6.571 7.143 1.00 2.31 H new ATOM 0 HG23 VAL A 58 -19.400 6.569 8.898 1.00 2.31 H new ATOM 901 N MET A 59 -16.830 7.797 7.070 1.00 0.88 N ATOM 902 CA MET A 59 -15.693 7.523 6.184 1.00 0.80 C ATOM 903 C MET A 59 -16.008 6.509 5.080 1.00 0.78 C ATOM 904 O MET A 59 -17.038 5.837 5.101 1.00 0.91 O ATOM 905 CB MET A 59 -14.473 7.096 7.015 1.00 0.86 C ATOM 906 CG MET A 59 -13.891 8.270 7.822 1.00 1.02 C ATOM 907 SD MET A 59 -14.807 8.798 9.296 1.00 2.95 S ATOM 908 CE MET A 59 -13.745 10.172 9.806 1.00 3.38 C ATOM 0 H MET A 59 -16.991 7.062 7.759 1.00 0.88 H new ATOM 0 HA MET A 59 -15.463 8.451 5.661 1.00 0.80 H new ATOM 0 HB2 MET A 59 -14.760 6.294 7.695 1.00 0.86 H new ATOM 0 HB3 MET A 59 -13.706 6.694 6.354 1.00 0.86 H new ATOM 0 HG2 MET A 59 -12.881 8.000 8.131 1.00 1.02 H new ATOM 0 HG3 MET A 59 -13.802 9.127 7.155 1.00 1.02 H new ATOM 0 HE1 MET A 59 -14.150 10.630 10.708 1.00 3.38 H new ATOM 0 HE2 MET A 59 -12.740 9.800 10.008 1.00 3.38 H new ATOM 0 HE3 MET A 59 -13.704 10.915 9.010 1.00 3.38 H new ATOM 918 N GLY A 60 -15.101 6.438 4.104 1.00 0.71 N ATOM 919 CA GLY A 60 -15.140 5.532 2.962 1.00 0.78 C ATOM 920 C GLY A 60 -13.755 5.261 2.371 1.00 0.64 C ATOM 921 O GLY A 60 -12.745 5.752 2.865 1.00 0.60 O ATOM 0 H GLY A 60 -14.280 7.042 4.091 1.00 0.71 H new ATOM 0 HA2 GLY A 60 -15.590 4.588 3.269 1.00 0.78 H new ATOM 0 HA3 GLY A 60 -15.783 5.956 2.190 1.00 0.78 H new ATOM 925 N MET A 61 -13.706 4.456 1.314 1.00 0.65 N ATOM 926 CA MET A 61 -12.492 4.021 0.614 1.00 0.56 C ATOM 927 C MET A 61 -12.857 3.748 -0.842 1.00 0.61 C ATOM 928 O MET A 61 -13.926 3.208 -1.129 1.00 0.80 O ATOM 929 CB MET A 61 -11.959 2.767 1.323 1.00 0.63 C ATOM 930 CG MET A 61 -10.989 1.874 0.529 1.00 0.58 C ATOM 931 SD MET A 61 -10.755 0.173 1.160 1.00 0.65 S ATOM 932 CE MET A 61 -10.851 0.428 2.948 1.00 1.32 C ATOM 0 H MET A 61 -14.552 4.067 0.898 1.00 0.65 H new ATOM 0 HA MET A 61 -11.710 4.780 0.631 1.00 0.56 H new ATOM 0 HB2 MET A 61 -11.457 3.083 2.238 1.00 0.63 H new ATOM 0 HB3 MET A 61 -12.812 2.158 1.622 1.00 0.63 H new ATOM 0 HG2 MET A 61 -11.345 1.812 -0.499 1.00 0.58 H new ATOM 0 HG3 MET A 61 -10.017 2.365 0.501 1.00 0.58 H new ATOM 0 HE1 MET A 61 -10.517 -0.473 3.462 1.00 1.32 H new ATOM 0 HE2 MET A 61 -10.213 1.265 3.231 1.00 1.32 H new ATOM 0 HE3 MET A 61 -11.881 0.645 3.230 1.00 1.32 H new ATOM 942 N ARG A 62 -11.962 4.103 -1.760 1.00 0.55 N ATOM 943 CA ARG A 62 -12.166 3.965 -3.211 1.00 0.60 C ATOM 944 C ARG A 62 -10.811 3.753 -3.923 1.00 0.51 C ATOM 945 O ARG A 62 -9.766 4.070 -3.344 1.00 0.49 O ATOM 946 CB ARG A 62 -12.994 5.169 -3.738 1.00 0.91 C ATOM 947 CG ARG A 62 -12.345 6.508 -3.405 1.00 1.25 C ATOM 948 CD ARG A 62 -13.027 7.774 -3.911 1.00 1.72 C ATOM 949 NE ARG A 62 -12.409 8.899 -3.197 1.00 2.88 N ATOM 950 CZ ARG A 62 -12.146 10.128 -3.594 1.00 3.90 C ATOM 951 NH1 ARG A 62 -12.656 10.651 -4.689 1.00 4.06 N ATOM 952 NH2 ARG A 62 -11.314 10.821 -2.856 1.00 4.91 N ATOM 0 H ARG A 62 -11.055 4.503 -1.518 1.00 0.55 H new ATOM 0 HA ARG A 62 -12.753 3.075 -3.437 1.00 0.60 H new ATOM 0 HB2 ARG A 62 -13.109 5.083 -4.818 1.00 0.91 H new ATOM 0 HB3 ARG A 62 -13.995 5.136 -3.307 1.00 0.91 H new ATOM 0 HG2 ARG A 62 -12.266 6.581 -2.320 1.00 1.25 H new ATOM 0 HG3 ARG A 62 -11.329 6.495 -3.799 1.00 1.25 H new ATOM 0 HD2 ARG A 62 -12.896 7.880 -4.988 1.00 1.72 H new ATOM 0 HD3 ARG A 62 -14.100 7.738 -3.722 1.00 1.72 H new ATOM 0 HE ARG A 62 -12.139 8.695 -2.235 1.00 2.88 H new ATOM 0 HH11 ARG A 62 -13.285 10.100 -5.272 1.00 4.06 H new ATOM 0 HH12 ARG A 62 -12.422 11.608 -4.954 1.00 4.06 H new ATOM 0 HH21 ARG A 62 -10.905 10.404 -2.020 1.00 4.91 H new ATOM 0 HH22 ARG A 62 -11.076 11.778 -3.118 1.00 4.91 H new ATOM 966 N PRO A 63 -10.783 3.157 -5.133 1.00 0.50 N ATOM 967 CA PRO A 63 -9.543 2.906 -5.856 1.00 0.50 C ATOM 968 C PRO A 63 -9.007 4.181 -6.509 1.00 0.48 C ATOM 969 O PRO A 63 -9.774 5.107 -6.767 1.00 0.50 O ATOM 970 CB PRO A 63 -9.877 1.831 -6.886 1.00 0.51 C ATOM 971 CG PRO A 63 -11.339 2.126 -7.213 1.00 0.53 C ATOM 972 CD PRO A 63 -11.908 2.585 -5.868 1.00 0.54 C ATOM 0 HA PRO A 63 -8.749 2.573 -5.187 1.00 0.50 H new ATOM 0 HB2 PRO A 63 -9.242 1.904 -7.769 1.00 0.51 H new ATOM 0 HB3 PRO A 63 -9.747 0.827 -6.481 1.00 0.51 H new ATOM 0 HG2 PRO A 63 -11.434 2.899 -7.976 1.00 0.53 H new ATOM 0 HG3 PRO A 63 -11.855 1.242 -7.589 1.00 0.53 H new ATOM 0 HD2 PRO A 63 -12.698 3.323 -6.009 1.00 0.54 H new ATOM 0 HD3 PRO A 63 -12.346 1.749 -5.323 1.00 0.54 H new ATOM 980 N VAL A 64 -7.701 4.199 -6.798 1.00 0.46 N ATOM 981 CA VAL A 64 -7.006 5.313 -7.473 1.00 0.44 C ATOM 982 C VAL A 64 -6.001 4.764 -8.507 1.00 0.47 C ATOM 983 O VAL A 64 -5.550 3.629 -8.347 1.00 0.48 O ATOM 984 CB VAL A 64 -6.317 6.276 -6.469 1.00 0.41 C ATOM 985 CG1 VAL A 64 -7.350 6.998 -5.588 1.00 0.53 C ATOM 986 CG2 VAL A 64 -5.276 5.594 -5.573 1.00 0.53 C ATOM 0 H VAL A 64 -7.079 3.424 -6.566 1.00 0.46 H new ATOM 0 HA VAL A 64 -7.758 5.904 -7.996 1.00 0.44 H new ATOM 0 HB VAL A 64 -5.787 6.999 -7.089 1.00 0.41 H new ATOM 0 HG11 VAL A 64 -6.835 7.665 -4.896 1.00 0.53 H new ATOM 0 HG12 VAL A 64 -8.023 7.579 -6.218 1.00 0.53 H new ATOM 0 HG13 VAL A 64 -7.924 6.263 -5.024 1.00 0.53 H new ATOM 0 HG21 VAL A 64 -4.838 6.330 -4.899 1.00 0.53 H new ATOM 0 HG22 VAL A 64 -5.757 4.808 -4.990 1.00 0.53 H new ATOM 0 HG23 VAL A 64 -4.492 5.158 -6.193 1.00 0.53 H new ATOM 996 N PRO A 65 -5.675 5.515 -9.586 1.00 0.52 N ATOM 997 CA PRO A 65 -4.944 4.985 -10.739 1.00 0.57 C ATOM 998 C PRO A 65 -3.436 4.885 -10.502 1.00 0.55 C ATOM 999 O PRO A 65 -2.788 4.076 -11.158 1.00 0.57 O ATOM 1000 CB PRO A 65 -5.270 5.945 -11.886 1.00 0.63 C ATOM 1001 CG PRO A 65 -5.439 7.288 -11.180 1.00 0.61 C ATOM 1002 CD PRO A 65 -6.073 6.894 -9.846 1.00 0.55 C ATOM 0 HA PRO A 65 -5.248 3.960 -10.953 1.00 0.57 H new ATOM 0 HB2 PRO A 65 -4.469 5.976 -12.625 1.00 0.63 H new ATOM 0 HB3 PRO A 65 -6.178 5.650 -12.412 1.00 0.63 H new ATOM 0 HG2 PRO A 65 -4.484 7.794 -11.040 1.00 0.61 H new ATOM 0 HG3 PRO A 65 -6.078 7.965 -11.747 1.00 0.61 H new ATOM 0 HD2 PRO A 65 -5.734 7.552 -9.046 1.00 0.55 H new ATOM 0 HD3 PRO A 65 -7.158 6.982 -9.892 1.00 0.55 H new ATOM 1010 N PHE A 66 -2.902 5.691 -9.578 1.00 0.52 N ATOM 1011 CA PHE A 66 -1.487 5.761 -9.195 1.00 0.51 C ATOM 1012 C PHE A 66 -1.268 6.780 -8.067 1.00 0.51 C ATOM 1013 O PHE A 66 -2.123 7.625 -7.804 1.00 0.55 O ATOM 1014 CB PHE A 66 -0.597 6.104 -10.404 1.00 0.55 C ATOM 1015 CG PHE A 66 -0.882 7.458 -11.006 1.00 0.63 C ATOM 1016 CD1 PHE A 66 -0.294 8.598 -10.442 1.00 1.40 C ATOM 1017 CD2 PHE A 66 -1.778 7.582 -12.079 1.00 2.01 C ATOM 1018 CE1 PHE A 66 -0.615 9.874 -10.916 1.00 1.38 C ATOM 1019 CE2 PHE A 66 -2.079 8.861 -12.586 1.00 2.08 C ATOM 1020 CZ PHE A 66 -1.502 10.008 -12.000 1.00 0.77 C ATOM 0 H PHE A 66 -3.476 6.347 -9.049 1.00 0.52 H new ATOM 0 HA PHE A 66 -1.201 4.775 -8.829 1.00 0.51 H new ATOM 0 HB2 PHE A 66 0.448 6.066 -10.096 1.00 0.55 H new ATOM 0 HB3 PHE A 66 -0.731 5.341 -11.170 1.00 0.55 H new ATOM 0 HD1 PHE A 66 0.414 8.490 -9.633 1.00 1.40 H new ATOM 0 HD2 PHE A 66 -2.233 6.704 -12.512 1.00 2.01 H new ATOM 0 HE1 PHE A 66 -0.185 10.750 -10.453 1.00 1.38 H new ATOM 0 HE2 PHE A 66 -2.752 8.964 -13.424 1.00 2.08 H new ATOM 0 HZ PHE A 66 -1.741 10.989 -12.384 1.00 0.77 H new ATOM 1030 N LEU A 67 -0.084 6.734 -7.452 1.00 0.51 N ATOM 1031 CA LEU A 67 0.464 7.797 -6.605 1.00 0.56 C ATOM 1032 C LEU A 67 1.645 8.470 -7.305 1.00 0.62 C ATOM 1033 O LEU A 67 2.327 7.840 -8.111 1.00 0.61 O ATOM 1034 CB LEU A 67 0.954 7.236 -5.256 1.00 0.55 C ATOM 1035 CG LEU A 67 -0.004 6.305 -4.499 1.00 0.49 C ATOM 1036 CD1 LEU A 67 0.600 5.994 -3.130 1.00 0.54 C ATOM 1037 CD2 LEU A 67 -1.400 6.902 -4.305 1.00 0.55 C ATOM 0 H LEU A 67 0.540 5.931 -7.532 1.00 0.51 H new ATOM 0 HA LEU A 67 -0.333 8.519 -6.427 1.00 0.56 H new ATOM 0 HB2 LEU A 67 1.884 6.695 -5.432 1.00 0.55 H new ATOM 0 HB3 LEU A 67 1.193 8.078 -4.606 1.00 0.55 H new ATOM 0 HG LEU A 67 -0.126 5.404 -5.101 1.00 0.49 H new ATOM 0 HD11 LEU A 67 -0.069 5.333 -2.579 1.00 0.54 H new ATOM 0 HD12 LEU A 67 1.566 5.506 -3.261 1.00 0.54 H new ATOM 0 HD13 LEU A 67 0.734 6.921 -2.573 1.00 0.54 H new ATOM 0 HD21 LEU A 67 -2.027 6.193 -3.763 1.00 0.55 H new ATOM 0 HD22 LEU A 67 -1.324 7.828 -3.735 1.00 0.55 H new ATOM 0 HD23 LEU A 67 -1.845 7.110 -5.278 1.00 0.55 H new ATOM 1049 N GLU A 68 1.901 9.724 -6.953 1.00 0.72 N ATOM 1050 CA GLU A 68 3.038 10.510 -7.442 1.00 0.82 C ATOM 1051 C GLU A 68 3.982 10.810 -6.278 1.00 0.83 C ATOM 1052 O GLU A 68 3.508 11.088 -5.175 1.00 0.85 O ATOM 1053 CB GLU A 68 2.529 11.842 -8.022 1.00 0.93 C ATOM 1054 CG GLU A 68 3.637 12.650 -8.720 1.00 1.03 C ATOM 1055 CD GLU A 68 3.818 12.214 -10.183 1.00 1.06 C ATOM 1056 OE1 GLU A 68 3.725 11.005 -10.488 1.00 1.78 O ATOM 1057 OE2 GLU A 68 3.933 13.092 -11.063 1.00 1.80 O ATOM 0 H GLU A 68 1.310 10.241 -6.302 1.00 0.72 H new ATOM 0 HA GLU A 68 3.562 9.946 -8.213 1.00 0.82 H new ATOM 0 HB2 GLU A 68 1.729 11.641 -8.734 1.00 0.93 H new ATOM 0 HB3 GLU A 68 2.099 12.442 -7.220 1.00 0.93 H new ATOM 0 HG2 GLU A 68 3.392 13.712 -8.684 1.00 1.03 H new ATOM 0 HG3 GLU A 68 4.576 12.521 -8.182 1.00 1.03 H new ATOM 1064 N VAL A 69 5.300 10.806 -6.518 1.00 0.87 N ATOM 1065 CA VAL A 69 6.279 11.245 -5.517 1.00 0.89 C ATOM 1066 C VAL A 69 7.490 11.974 -6.133 1.00 0.84 C ATOM 1067 O VAL A 69 8.026 11.500 -7.133 1.00 0.92 O ATOM 1068 CB VAL A 69 6.774 10.044 -4.663 1.00 0.95 C ATOM 1069 CG1 VAL A 69 7.627 10.484 -3.458 1.00 1.00 C ATOM 1070 CG2 VAL A 69 5.658 9.125 -4.127 1.00 1.05 C ATOM 0 H VAL A 69 5.713 10.502 -7.400 1.00 0.87 H new ATOM 0 HA VAL A 69 5.757 11.960 -4.881 1.00 0.89 H new ATOM 0 HB VAL A 69 7.373 9.477 -5.375 1.00 0.95 H new ATOM 0 HG11 VAL A 69 7.945 9.605 -2.897 1.00 1.00 H new ATOM 0 HG12 VAL A 69 8.504 11.026 -3.812 1.00 1.00 H new ATOM 0 HG13 VAL A 69 7.036 11.132 -2.811 1.00 1.00 H new ATOM 0 HG21 VAL A 69 6.100 8.317 -3.544 1.00 1.05 H new ATOM 0 HG22 VAL A 69 4.984 9.702 -3.494 1.00 1.05 H new ATOM 0 HG23 VAL A 69 5.099 8.705 -4.963 1.00 1.05 H new ATOM 1080 N PRO A 70 7.956 13.103 -5.558 1.00 0.80 N ATOM 1081 CA PRO A 70 9.126 13.838 -6.044 1.00 0.81 C ATOM 1082 C PRO A 70 10.463 13.161 -5.672 1.00 0.84 C ATOM 1083 O PRO A 70 10.492 12.280 -4.808 1.00 0.93 O ATOM 1084 CB PRO A 70 9.009 15.227 -5.397 1.00 0.86 C ATOM 1085 CG PRO A 70 8.314 14.935 -4.072 1.00 0.87 C ATOM 1086 CD PRO A 70 7.337 13.829 -4.455 1.00 0.84 C ATOM 0 HA PRO A 70 9.136 13.878 -7.133 1.00 0.81 H new ATOM 0 HB2 PRO A 70 9.987 15.685 -5.247 1.00 0.86 H new ATOM 0 HB3 PRO A 70 8.428 15.912 -6.015 1.00 0.86 H new ATOM 0 HG2 PRO A 70 9.018 14.609 -3.307 1.00 0.87 H new ATOM 0 HG3 PRO A 70 7.801 15.813 -3.680 1.00 0.87 H new ATOM 0 HD2 PRO A 70 7.148 13.167 -3.610 1.00 0.84 H new ATOM 0 HD3 PRO A 70 6.375 14.246 -4.754 1.00 0.84 H new ATOM 1094 N PRO A 71 11.592 13.593 -6.277 1.00 0.82 N ATOM 1095 CA PRO A 71 12.938 13.233 -5.836 1.00 0.76 C ATOM 1096 C PRO A 71 13.214 13.720 -4.415 1.00 0.84 C ATOM 1097 O PRO A 71 12.705 14.760 -4.001 1.00 1.01 O ATOM 1098 CB PRO A 71 13.889 13.855 -6.855 1.00 0.78 C ATOM 1099 CG PRO A 71 13.100 15.010 -7.461 1.00 0.84 C ATOM 1100 CD PRO A 71 11.659 14.525 -7.397 1.00 0.85 C ATOM 0 HA PRO A 71 13.068 12.152 -5.793 1.00 0.76 H new ATOM 0 HB2 PRO A 71 14.805 14.207 -6.380 1.00 0.78 H new ATOM 0 HB3 PRO A 71 14.182 13.132 -7.617 1.00 0.78 H new ATOM 0 HG2 PRO A 71 13.239 15.932 -6.896 1.00 0.84 H new ATOM 0 HG3 PRO A 71 13.410 15.214 -8.486 1.00 0.84 H new ATOM 0 HD2 PRO A 71 10.974 15.360 -7.250 1.00 0.85 H new ATOM 0 HD3 PRO A 71 11.371 14.036 -8.328 1.00 0.85 H new ATOM 1108 N LYS A 72 13.996 12.940 -3.654 1.00 0.83 N ATOM 1109 CA LYS A 72 14.358 13.192 -2.247 1.00 1.03 C ATOM 1110 C LYS A 72 13.163 13.094 -1.273 1.00 1.14 C ATOM 1111 O LYS A 72 13.343 13.182 -0.058 1.00 1.37 O ATOM 1112 CB LYS A 72 15.126 14.523 -2.095 1.00 1.26 C ATOM 1113 CG LYS A 72 16.155 14.822 -3.198 1.00 1.53 C ATOM 1114 CD LYS A 72 17.221 13.734 -3.410 1.00 1.25 C ATOM 1115 CE LYS A 72 18.031 14.075 -4.664 1.00 1.65 C ATOM 1116 NZ LYS A 72 18.977 12.999 -5.036 1.00 1.60 N ATOM 0 H LYS A 72 14.411 12.081 -4.015 1.00 0.83 H new ATOM 0 HA LYS A 72 15.030 12.384 -1.957 1.00 1.03 H new ATOM 0 HB2 LYS A 72 14.403 15.338 -2.066 1.00 1.26 H new ATOM 0 HB3 LYS A 72 15.640 14.518 -1.134 1.00 1.26 H new ATOM 0 HG2 LYS A 72 15.623 14.975 -4.137 1.00 1.53 H new ATOM 0 HG3 LYS A 72 16.658 15.759 -2.960 1.00 1.53 H new ATOM 0 HD2 LYS A 72 17.877 13.674 -2.542 1.00 1.25 H new ATOM 0 HD3 LYS A 72 16.748 12.758 -3.520 1.00 1.25 H new ATOM 0 HE2 LYS A 72 17.349 14.259 -5.494 1.00 1.65 H new ATOM 0 HE3 LYS A 72 18.584 14.999 -4.496 1.00 1.65 H new ATOM 0 HZ1 LYS A 72 19.952 13.352 -4.957 1.00 1.60 H new ATOM 0 HZ2 LYS A 72 18.849 12.188 -4.397 1.00 1.60 H new ATOM 0 HZ3 LYS A 72 18.795 12.700 -6.015 1.00 1.60 H new ATOM 1130 N GLY A 73 11.953 12.876 -1.793 1.00 1.09 N ATOM 1131 CA GLY A 73 10.737 12.575 -1.034 1.00 1.23 C ATOM 1132 C GLY A 73 10.689 11.112 -0.581 1.00 1.04 C ATOM 1133 O GLY A 73 11.540 10.300 -0.945 1.00 0.93 O ATOM 0 H GLY A 73 11.787 12.906 -2.799 1.00 1.09 H new ATOM 0 HA2 GLY A 73 10.684 13.226 -0.162 1.00 1.23 H new ATOM 0 HA3 GLY A 73 9.863 12.793 -1.648 1.00 1.23 H new ATOM 1137 N ARG A 74 9.667 10.776 0.211 1.00 1.32 N ATOM 1138 CA ARG A 74 9.384 9.409 0.666 1.00 1.24 C ATOM 1139 C ARG A 74 8.228 8.836 -0.150 1.00 2.12 C ATOM 1140 O ARG A 74 7.232 9.519 -0.378 1.00 2.82 O ATOM 1141 CB ARG A 74 9.016 9.361 2.156 1.00 1.62 C ATOM 1142 CG ARG A 74 10.143 9.797 3.101 1.00 1.44 C ATOM 1143 CD ARG A 74 9.780 9.471 4.558 1.00 1.57 C ATOM 1144 NE ARG A 74 9.870 10.650 5.440 1.00 2.60 N ATOM 1145 CZ ARG A 74 8.860 11.296 6.014 1.00 3.70 C ATOM 1146 NH1 ARG A 74 7.591 11.018 5.793 1.00 4.44 N ATOM 1147 NH2 ARG A 74 9.136 12.259 6.861 1.00 4.89 N ATOM 0 H ARG A 74 8.998 11.461 0.562 1.00 1.32 H new ATOM 0 HA ARG A 74 10.289 8.819 0.524 1.00 1.24 H new ATOM 0 HB2 ARG A 74 8.149 10.000 2.325 1.00 1.62 H new ATOM 0 HB3 ARG A 74 8.717 8.344 2.411 1.00 1.62 H new ATOM 0 HG2 ARG A 74 11.070 9.291 2.829 1.00 1.44 H new ATOM 0 HG3 ARG A 74 10.321 10.867 2.995 1.00 1.44 H new ATOM 0 HD2 ARG A 74 8.767 9.070 4.596 1.00 1.57 H new ATOM 0 HD3 ARG A 74 10.446 8.692 4.929 1.00 1.57 H new ATOM 0 HE ARG A 74 10.806 11.007 5.629 1.00 2.60 H new ATOM 0 HH11 ARG A 74 7.338 10.269 5.149 1.00 4.44 H new ATOM 0 HH12 ARG A 74 6.862 11.552 6.266 1.00 4.44 H new ATOM 0 HH21 ARG A 74 10.107 12.496 7.065 1.00 4.89 H new ATOM 0 HH22 ARG A 74 8.380 12.771 7.315 1.00 4.89 H new ATOM 1161 N VAL A 75 8.356 7.577 -0.545 1.00 2.50 N ATOM 1162 CA VAL A 75 7.366 6.790 -1.278 1.00 3.61 C ATOM 1163 C VAL A 75 6.666 5.909 -0.248 1.00 2.86 C ATOM 1164 O VAL A 75 7.235 4.948 0.256 1.00 2.59 O ATOM 1165 CB VAL A 75 8.043 5.948 -2.383 1.00 4.94 C ATOM 1166 CG1 VAL A 75 7.002 5.143 -3.181 1.00 6.09 C ATOM 1167 CG2 VAL A 75 8.869 6.823 -3.346 1.00 5.69 C ATOM 0 H VAL A 75 9.203 7.043 -0.352 1.00 2.50 H new ATOM 0 HA VAL A 75 6.645 7.431 -1.785 1.00 3.61 H new ATOM 0 HB VAL A 75 8.721 5.257 -1.881 1.00 4.94 H new ATOM 0 HG11 VAL A 75 7.506 4.560 -3.952 1.00 6.09 H new ATOM 0 HG12 VAL A 75 6.468 4.471 -2.509 1.00 6.09 H new ATOM 0 HG13 VAL A 75 6.294 5.827 -3.649 1.00 6.09 H new ATOM 0 HG21 VAL A 75 9.328 6.192 -4.107 1.00 5.69 H new ATOM 0 HG22 VAL A 75 8.216 7.553 -3.825 1.00 5.69 H new ATOM 0 HG23 VAL A 75 9.648 7.343 -2.788 1.00 5.69 H new ATOM 1177 N GLU A 76 5.444 6.273 0.122 1.00 2.87 N ATOM 1178 CA GLU A 76 4.807 5.754 1.333 1.00 1.98 C ATOM 1179 C GLU A 76 3.285 5.711 1.217 1.00 1.70 C ATOM 1180 O GLU A 76 2.613 6.708 0.922 1.00 2.03 O ATOM 1181 CB GLU A 76 5.246 6.537 2.592 1.00 2.17 C ATOM 1182 CG GLU A 76 5.509 8.022 2.325 1.00 3.07 C ATOM 1183 CD GLU A 76 5.320 8.895 3.560 1.00 2.73 C ATOM 1184 OE1 GLU A 76 4.150 9.266 3.823 1.00 3.20 O ATOM 1185 OE2 GLU A 76 6.341 9.186 4.222 1.00 3.24 O ATOM 0 H GLU A 76 4.868 6.931 -0.402 1.00 2.87 H new ATOM 0 HA GLU A 76 5.150 4.725 1.443 1.00 1.98 H new ATOM 0 HB2 GLU A 76 4.474 6.444 3.356 1.00 2.17 H new ATOM 0 HB3 GLU A 76 6.151 6.083 2.996 1.00 2.17 H new ATOM 0 HG2 GLU A 76 6.527 8.143 1.954 1.00 3.07 H new ATOM 0 HG3 GLU A 76 4.839 8.367 1.537 1.00 3.07 H new ATOM 1192 N LEU A 77 2.746 4.546 1.556 1.00 1.15 N ATOM 1193 CA LEU A 77 1.333 4.318 1.800 1.00 0.86 C ATOM 1194 C LEU A 77 1.091 4.460 3.307 1.00 1.23 C ATOM 1195 O LEU A 77 1.822 3.924 4.136 1.00 2.52 O ATOM 1196 CB LEU A 77 0.965 2.934 1.262 1.00 0.73 C ATOM 1197 CG LEU A 77 0.592 2.913 -0.234 1.00 0.83 C ATOM 1198 CD1 LEU A 77 1.640 3.452 -1.225 1.00 1.06 C ATOM 1199 CD2 LEU A 77 0.341 1.463 -0.617 1.00 1.13 C ATOM 0 H LEU A 77 3.307 3.702 1.672 1.00 1.15 H new ATOM 0 HA LEU A 77 0.698 5.041 1.288 1.00 0.86 H new ATOM 0 HB2 LEU A 77 1.805 2.259 1.424 1.00 0.73 H new ATOM 0 HB3 LEU A 77 0.126 2.544 1.839 1.00 0.73 H new ATOM 0 HG LEU A 77 -0.265 3.581 -0.319 1.00 0.83 H new ATOM 0 HD11 LEU A 77 1.251 3.380 -2.241 1.00 1.06 H new ATOM 0 HD12 LEU A 77 1.858 4.495 -0.993 1.00 1.06 H new ATOM 0 HD13 LEU A 77 2.554 2.864 -1.144 1.00 1.06 H new ATOM 0 HD21 LEU A 77 0.073 1.406 -1.672 1.00 1.13 H new ATOM 0 HD22 LEU A 77 1.244 0.878 -0.440 1.00 1.13 H new ATOM 0 HD23 LEU A 77 -0.474 1.063 -0.014 1.00 1.13 H new ATOM 1211 N LYS A 78 0.075 5.240 3.664 1.00 0.98 N ATOM 1212 CA LYS A 78 -0.152 5.737 5.020 1.00 1.08 C ATOM 1213 C LYS A 78 -1.278 4.976 5.747 1.00 0.91 C ATOM 1214 O LYS A 78 -2.248 4.567 5.104 1.00 0.91 O ATOM 1215 CB LYS A 78 -0.421 7.260 5.001 1.00 1.40 C ATOM 1216 CG LYS A 78 -1.357 7.761 3.883 1.00 1.85 C ATOM 1217 CD LYS A 78 -0.690 8.186 2.558 1.00 3.03 C ATOM 1218 CE LYS A 78 0.431 9.241 2.669 1.00 2.78 C ATOM 1219 NZ LYS A 78 1.779 8.629 2.796 1.00 3.38 N ATOM 0 H LYS A 78 -0.634 5.553 3.001 1.00 0.98 H new ATOM 0 HA LYS A 78 0.759 5.553 5.589 1.00 1.08 H new ATOM 0 HB2 LYS A 78 -0.848 7.547 5.962 1.00 1.40 H new ATOM 0 HB3 LYS A 78 0.534 7.778 4.909 1.00 1.40 H new ATOM 0 HG2 LYS A 78 -2.077 6.973 3.664 1.00 1.85 H new ATOM 0 HG3 LYS A 78 -1.922 8.611 4.267 1.00 1.85 H new ATOM 0 HD2 LYS A 78 -0.278 7.297 2.081 1.00 3.03 H new ATOM 0 HD3 LYS A 78 -1.462 8.575 1.895 1.00 3.03 H new ATOM 0 HE2 LYS A 78 0.409 9.884 1.789 1.00 2.78 H new ATOM 0 HE3 LYS A 78 0.242 9.878 3.533 1.00 2.78 H new ATOM 0 HZ1 LYS A 78 2.418 9.294 3.276 1.00 3.38 H new ATOM 0 HZ2 LYS A 78 1.711 7.752 3.351 1.00 3.38 H new ATOM 0 HZ3 LYS A 78 2.152 8.412 1.850 1.00 3.38 H new ATOM 1233 N PRO A 79 -1.201 4.860 7.092 1.00 1.26 N ATOM 1234 CA PRO A 79 -2.191 4.162 7.910 1.00 1.51 C ATOM 1235 C PRO A 79 -3.603 4.743 7.751 1.00 1.31 C ATOM 1236 O PRO A 79 -4.568 3.984 7.700 1.00 1.98 O ATOM 1237 CB PRO A 79 -1.669 4.240 9.351 1.00 2.10 C ATOM 1238 CG PRO A 79 -0.672 5.394 9.350 1.00 2.16 C ATOM 1239 CD PRO A 79 -0.124 5.371 7.933 1.00 1.77 C ATOM 0 HA PRO A 79 -2.303 3.125 7.595 1.00 1.51 H new ATOM 0 HB2 PRO A 79 -2.481 4.421 10.055 1.00 2.10 H new ATOM 0 HB3 PRO A 79 -1.191 3.306 9.648 1.00 2.10 H new ATOM 0 HG2 PRO A 79 -1.154 6.344 9.581 1.00 2.16 H new ATOM 0 HG3 PRO A 79 0.115 5.248 10.090 1.00 2.16 H new ATOM 0 HD2 PRO A 79 0.178 6.369 7.616 1.00 1.77 H new ATOM 0 HD3 PRO A 79 0.758 4.734 7.866 1.00 1.77 H new ATOM 1247 N GLY A 80 -3.736 6.070 7.638 1.00 1.24 N ATOM 1248 CA GLY A 80 -4.952 6.724 7.154 1.00 1.21 C ATOM 1249 C GLY A 80 -4.701 7.319 5.770 1.00 1.45 C ATOM 1250 O GLY A 80 -3.895 8.234 5.646 1.00 2.87 O ATOM 0 H GLY A 80 -2.993 6.724 7.883 1.00 1.24 H new ATOM 0 HA2 GLY A 80 -5.770 6.005 7.108 1.00 1.21 H new ATOM 0 HA3 GLY A 80 -5.256 7.508 7.848 1.00 1.21 H new ATOM 1254 N GLY A 81 -5.403 6.806 4.757 1.00 0.74 N ATOM 1255 CA GLY A 81 -5.384 7.255 3.361 1.00 0.72 C ATOM 1256 C GLY A 81 -4.873 6.153 2.443 1.00 0.72 C ATOM 1257 O GLY A 81 -5.438 5.060 2.413 1.00 1.55 O ATOM 0 H GLY A 81 -6.038 6.020 4.896 1.00 0.74 H new ATOM 0 HA2 GLY A 81 -6.388 7.551 3.056 1.00 0.72 H new ATOM 0 HA3 GLY A 81 -4.749 8.136 3.267 1.00 0.72 H new ATOM 1261 N TYR A 82 -3.804 6.420 1.687 1.00 0.71 N ATOM 1262 CA TYR A 82 -3.422 5.535 0.587 1.00 0.64 C ATOM 1263 C TYR A 82 -2.854 4.210 1.081 1.00 0.65 C ATOM 1264 O TYR A 82 -1.987 4.166 1.950 1.00 0.85 O ATOM 1265 CB TYR A 82 -2.379 6.172 -0.336 1.00 0.68 C ATOM 1266 CG TYR A 82 -2.847 7.404 -1.070 1.00 0.70 C ATOM 1267 CD1 TYR A 82 -3.941 7.297 -1.939 1.00 1.74 C ATOM 1268 CD2 TYR A 82 -2.166 8.631 -0.943 1.00 1.81 C ATOM 1269 CE1 TYR A 82 -4.365 8.409 -2.678 1.00 1.79 C ATOM 1270 CE2 TYR A 82 -2.612 9.763 -1.653 1.00 1.83 C ATOM 1271 CZ TYR A 82 -3.722 9.654 -2.524 1.00 0.85 C ATOM 1272 OH TYR A 82 -4.173 10.737 -3.212 1.00 0.95 O ATOM 0 H TYR A 82 -3.197 7.230 1.815 1.00 0.71 H new ATOM 0 HA TYR A 82 -4.345 5.358 0.035 1.00 0.64 H new ATOM 0 HB2 TYR A 82 -1.501 6.431 0.256 1.00 0.68 H new ATOM 0 HB3 TYR A 82 -2.061 5.430 -1.068 1.00 0.68 H new ATOM 0 HD1 TYR A 82 -4.459 6.355 -2.039 1.00 1.74 H new ATOM 0 HD2 TYR A 82 -1.301 8.704 -0.300 1.00 1.81 H new ATOM 0 HE1 TYR A 82 -5.189 8.312 -3.369 1.00 1.79 H new ATOM 0 HE2 TYR A 82 -2.108 10.711 -1.533 1.00 1.83 H new ATOM 0 HH TYR A 82 -3.621 11.517 -2.993 1.00 0.95 H new ATOM 1282 N HIS A 83 -3.322 3.139 0.465 1.00 0.53 N ATOM 1283 CA HIS A 83 -2.953 1.761 0.799 1.00 0.52 C ATOM 1284 C HIS A 83 -3.207 0.821 -0.392 1.00 0.45 C ATOM 1285 O HIS A 83 -4.112 1.060 -1.195 1.00 0.49 O ATOM 1286 CB HIS A 83 -3.664 1.310 2.083 1.00 0.64 C ATOM 1287 CG HIS A 83 -5.150 1.187 1.932 1.00 0.60 C ATOM 1288 ND1 HIS A 83 -6.065 2.209 2.044 1.00 0.57 N ATOM 1289 CD2 HIS A 83 -5.819 0.071 1.505 1.00 0.60 C ATOM 1290 CE1 HIS A 83 -7.258 1.729 1.665 1.00 0.54 C ATOM 1291 NE2 HIS A 83 -7.157 0.425 1.357 1.00 0.57 N ATOM 0 H HIS A 83 -3.989 3.198 -0.305 1.00 0.53 H new ATOM 0 HA HIS A 83 -1.883 1.717 1.001 1.00 0.52 H new ATOM 0 HB2 HIS A 83 -3.258 0.348 2.395 1.00 0.64 H new ATOM 0 HB3 HIS A 83 -3.445 2.022 2.879 1.00 0.64 H new ATOM 0 HD1 HIS A 83 -5.871 3.160 2.358 1.00 0.57 H new ATOM 0 HD2 HIS A 83 -5.389 -0.902 1.318 1.00 0.60 H new ATOM 0 HE1 HIS A 83 -8.169 2.307 1.615 1.00 0.54 H new ATOM 1299 N PHE A 84 -2.455 -0.273 -0.509 1.00 0.40 N ATOM 1300 CA PHE A 84 -2.792 -1.328 -1.465 1.00 0.41 C ATOM 1301 C PHE A 84 -3.814 -2.260 -0.815 1.00 0.43 C ATOM 1302 O PHE A 84 -3.626 -2.670 0.328 1.00 0.55 O ATOM 1303 CB PHE A 84 -1.544 -2.115 -1.884 1.00 0.42 C ATOM 1304 CG PHE A 84 -0.719 -1.423 -2.946 1.00 0.51 C ATOM 1305 CD1 PHE A 84 -1.224 -1.284 -4.253 1.00 1.97 C ATOM 1306 CD2 PHE A 84 0.545 -0.895 -2.633 1.00 1.41 C ATOM 1307 CE1 PHE A 84 -0.479 -0.597 -5.225 1.00 2.14 C ATOM 1308 CE2 PHE A 84 1.261 -0.165 -3.590 1.00 1.34 C ATOM 1309 CZ PHE A 84 0.747 -0.009 -4.883 1.00 0.89 C ATOM 0 H PHE A 84 -1.615 -0.452 0.041 1.00 0.40 H new ATOM 0 HA PHE A 84 -3.211 -0.879 -2.365 1.00 0.41 H new ATOM 0 HB2 PHE A 84 -0.921 -2.286 -1.006 1.00 0.42 H new ATOM 0 HB3 PHE A 84 -1.849 -3.094 -2.254 1.00 0.42 H new ATOM 0 HD1 PHE A 84 -2.185 -1.706 -4.508 1.00 1.97 H new ATOM 0 HD2 PHE A 84 0.966 -1.053 -1.651 1.00 1.41 H new ATOM 0 HE1 PHE A 84 -0.850 -0.522 -6.236 1.00 2.14 H new ATOM 0 HE2 PHE A 84 2.211 0.278 -3.330 1.00 1.34 H new ATOM 0 HZ PHE A 84 1.295 0.564 -5.617 1.00 0.89 H new ATOM 1319 N MET A 85 -4.860 -2.634 -1.547 1.00 0.40 N ATOM 1320 CA MET A 85 -5.740 -3.772 -1.279 1.00 0.37 C ATOM 1321 C MET A 85 -5.118 -5.018 -1.909 1.00 0.39 C ATOM 1322 O MET A 85 -4.780 -4.976 -3.083 1.00 0.49 O ATOM 1323 CB MET A 85 -7.120 -3.494 -1.878 1.00 0.40 C ATOM 1324 CG MET A 85 -8.206 -4.061 -0.959 1.00 0.54 C ATOM 1325 SD MET A 85 -8.385 -3.114 0.588 1.00 0.74 S ATOM 1326 CE MET A 85 -9.297 -4.319 1.588 1.00 0.61 C ATOM 0 H MET A 85 -5.132 -2.125 -2.388 1.00 0.40 H new ATOM 0 HA MET A 85 -5.855 -3.929 -0.207 1.00 0.37 H new ATOM 0 HB2 MET A 85 -7.262 -2.421 -2.006 1.00 0.40 H new ATOM 0 HB3 MET A 85 -7.195 -3.945 -2.867 1.00 0.40 H new ATOM 0 HG2 MET A 85 -9.158 -4.066 -1.489 1.00 0.54 H new ATOM 0 HG3 MET A 85 -7.969 -5.098 -0.720 1.00 0.54 H new ATOM 0 HE1 MET A 85 -9.492 -3.899 2.575 1.00 0.61 H new ATOM 0 HE2 MET A 85 -10.243 -4.555 1.100 1.00 0.61 H new ATOM 0 HE3 MET A 85 -8.705 -5.229 1.691 1.00 0.61 H new ATOM 1336 N LEU A 86 -4.940 -6.095 -1.148 1.00 0.42 N ATOM 1337 CA LEU A 86 -4.270 -7.325 -1.581 1.00 0.47 C ATOM 1338 C LEU A 86 -5.334 -8.400 -1.807 1.00 0.47 C ATOM 1339 O LEU A 86 -5.972 -8.829 -0.847 1.00 0.51 O ATOM 1340 CB LEU A 86 -3.281 -7.776 -0.491 1.00 0.51 C ATOM 1341 CG LEU A 86 -1.904 -7.088 -0.470 1.00 0.64 C ATOM 1342 CD1 LEU A 86 -1.967 -5.588 -0.155 1.00 1.06 C ATOM 1343 CD2 LEU A 86 -1.033 -7.765 0.598 1.00 1.32 C ATOM 0 H LEU A 86 -5.267 -6.140 -0.183 1.00 0.42 H new ATOM 0 HA LEU A 86 -3.719 -7.155 -2.506 1.00 0.47 H new ATOM 0 HB2 LEU A 86 -3.752 -7.621 0.480 1.00 0.51 H new ATOM 0 HB3 LEU A 86 -3.122 -8.849 -0.600 1.00 0.51 H new ATOM 0 HG LEU A 86 -1.488 -7.190 -1.472 1.00 0.64 H new ATOM 0 HD11 LEU A 86 -0.959 -5.173 -0.158 1.00 1.06 H new ATOM 0 HD12 LEU A 86 -2.570 -5.083 -0.910 1.00 1.06 H new ATOM 0 HD13 LEU A 86 -2.417 -5.441 0.827 1.00 1.06 H new ATOM 0 HD21 LEU A 86 -0.053 -7.288 0.625 1.00 1.32 H new ATOM 0 HD22 LEU A 86 -1.511 -7.667 1.573 1.00 1.32 H new ATOM 0 HD23 LEU A 86 -0.916 -8.821 0.356 1.00 1.32 H new ATOM 1355 N LEU A 87 -5.545 -8.811 -3.054 1.00 0.60 N ATOM 1356 CA LEU A 87 -6.667 -9.657 -3.466 1.00 0.66 C ATOM 1357 C LEU A 87 -6.188 -11.091 -3.746 1.00 0.63 C ATOM 1358 O LEU A 87 -5.188 -11.298 -4.432 1.00 0.69 O ATOM 1359 CB LEU A 87 -7.319 -9.030 -4.721 1.00 0.94 C ATOM 1360 CG LEU A 87 -8.260 -7.814 -4.552 1.00 1.18 C ATOM 1361 CD1 LEU A 87 -9.544 -8.173 -3.796 1.00 1.47 C ATOM 1362 CD2 LEU A 87 -7.635 -6.605 -3.846 1.00 2.63 C ATOM 0 H LEU A 87 -4.928 -8.561 -3.826 1.00 0.60 H new ATOM 0 HA LEU A 87 -7.405 -9.714 -2.666 1.00 0.66 H new ATOM 0 HB2 LEU A 87 -6.516 -8.732 -5.395 1.00 0.94 H new ATOM 0 HB3 LEU A 87 -7.883 -9.815 -5.225 1.00 0.94 H new ATOM 0 HG LEU A 87 -8.477 -7.531 -5.582 1.00 1.18 H new ATOM 0 HD11 LEU A 87 -10.171 -7.287 -3.703 1.00 1.47 H new ATOM 0 HD12 LEU A 87 -10.085 -8.945 -4.344 1.00 1.47 H new ATOM 0 HD13 LEU A 87 -9.290 -8.543 -2.803 1.00 1.47 H new ATOM 0 HD21 LEU A 87 -8.371 -5.804 -3.775 1.00 2.63 H new ATOM 0 HD22 LEU A 87 -7.315 -6.894 -2.845 1.00 2.63 H new ATOM 0 HD23 LEU A 87 -6.774 -6.256 -4.416 1.00 2.63 H new ATOM 1374 N GLY A 88 -6.919 -12.099 -3.257 1.00 0.64 N ATOM 1375 CA GLY A 88 -6.678 -13.516 -3.573 1.00 0.72 C ATOM 1376 C GLY A 88 -5.500 -14.127 -2.811 1.00 0.86 C ATOM 1377 O GLY A 88 -4.628 -14.734 -3.434 1.00 1.72 O ATOM 0 H GLY A 88 -7.705 -11.954 -2.623 1.00 0.64 H new ATOM 0 HA2 GLY A 88 -7.579 -14.087 -3.349 1.00 0.72 H new ATOM 0 HA3 GLY A 88 -6.497 -13.614 -4.643 1.00 0.72 H new ATOM 1381 N LEU A 89 -5.447 -13.925 -1.490 1.00 0.50 N ATOM 1382 CA LEU A 89 -4.412 -14.473 -0.605 1.00 0.53 C ATOM 1383 C LEU A 89 -4.181 -15.971 -0.745 1.00 0.70 C ATOM 1384 O LEU A 89 -5.055 -16.760 -1.101 1.00 0.92 O ATOM 1385 CB LEU A 89 -4.648 -14.212 0.882 1.00 0.55 C ATOM 1386 CG LEU A 89 -5.204 -12.860 1.353 1.00 0.56 C ATOM 1387 CD1 LEU A 89 -5.082 -12.873 2.877 1.00 0.65 C ATOM 1388 CD2 LEU A 89 -4.478 -11.631 0.782 1.00 0.51 C ATOM 0 H LEU A 89 -6.139 -13.363 -0.994 1.00 0.50 H new ATOM 0 HA LEU A 89 -3.534 -13.927 -0.950 1.00 0.53 H new ATOM 0 HB2 LEU A 89 -5.329 -14.984 1.241 1.00 0.55 H new ATOM 0 HB3 LEU A 89 -3.697 -14.365 1.391 1.00 0.55 H new ATOM 0 HG LEU A 89 -6.229 -12.760 0.996 1.00 0.56 H new ATOM 0 HD11 LEU A 89 -5.462 -11.934 3.280 1.00 0.65 H new ATOM 0 HD12 LEU A 89 -5.661 -13.703 3.281 1.00 0.65 H new ATOM 0 HD13 LEU A 89 -4.035 -12.991 3.157 1.00 0.65 H new ATOM 0 HD21 LEU A 89 -4.940 -10.723 1.170 1.00 0.51 H new ATOM 0 HD22 LEU A 89 -3.429 -11.659 1.076 1.00 0.51 H new ATOM 0 HD23 LEU A 89 -4.550 -11.639 -0.306 1.00 0.51 H new ATOM 1400 N LYS A 90 -2.947 -16.321 -0.407 1.00 0.72 N ATOM 1401 CA LYS A 90 -2.370 -17.618 -0.725 1.00 0.75 C ATOM 1402 C LYS A 90 -1.844 -18.392 0.486 1.00 0.79 C ATOM 1403 O LYS A 90 -1.802 -19.621 0.470 1.00 0.94 O ATOM 1404 CB LYS A 90 -1.299 -17.348 -1.752 1.00 0.81 C ATOM 1405 CG LYS A 90 -1.978 -16.685 -2.961 1.00 1.19 C ATOM 1406 CD LYS A 90 -1.013 -16.615 -4.107 1.00 1.29 C ATOM 1407 CE LYS A 90 -1.693 -16.186 -5.423 1.00 1.06 C ATOM 1408 NZ LYS A 90 -2.830 -17.065 -5.815 1.00 1.55 N ATOM 0 H LYS A 90 -2.313 -15.705 0.101 1.00 0.72 H new ATOM 0 HA LYS A 90 -3.143 -18.282 -1.112 1.00 0.75 H new ATOM 0 HB2 LYS A 90 -0.528 -16.697 -1.340 1.00 0.81 H new ATOM 0 HB3 LYS A 90 -0.809 -18.275 -2.048 1.00 0.81 H new ATOM 0 HG2 LYS A 90 -2.862 -17.254 -3.251 1.00 1.19 H new ATOM 0 HG3 LYS A 90 -2.316 -15.683 -2.696 1.00 1.19 H new ATOM 0 HD2 LYS A 90 -0.217 -15.910 -3.866 1.00 1.29 H new ATOM 0 HD3 LYS A 90 -0.545 -17.590 -4.244 1.00 1.29 H new ATOM 0 HE2 LYS A 90 -2.053 -15.162 -5.320 1.00 1.06 H new ATOM 0 HE3 LYS A 90 -0.952 -16.184 -6.223 1.00 1.06 H new ATOM 0 HZ1 LYS A 90 -3.122 -16.842 -6.788 1.00 1.55 H new ATOM 0 HZ2 LYS A 90 -2.533 -18.060 -5.762 1.00 1.55 H new ATOM 0 HZ3 LYS A 90 -3.629 -16.907 -5.169 1.00 1.55 H new ATOM 1422 N ARG A 91 -1.521 -17.661 1.555 1.00 0.84 N ATOM 1423 CA ARG A 91 -1.565 -18.152 2.915 1.00 1.07 C ATOM 1424 C ARG A 91 -2.585 -17.320 3.707 1.00 0.99 C ATOM 1425 O ARG A 91 -2.682 -16.117 3.441 1.00 0.93 O ATOM 1426 CB ARG A 91 -0.158 -18.096 3.518 1.00 1.43 C ATOM 1427 CG ARG A 91 0.400 -16.725 3.948 1.00 1.90 C ATOM 1428 CD ARG A 91 1.809 -16.901 4.538 1.00 2.39 C ATOM 1429 NE ARG A 91 2.278 -15.688 5.226 1.00 3.65 N ATOM 1430 CZ ARG A 91 3.369 -14.966 5.002 1.00 4.87 C ATOM 1431 NH1 ARG A 91 4.255 -15.233 4.065 1.00 5.33 N ATOM 1432 NH2 ARG A 91 3.575 -13.922 5.763 1.00 6.17 N ATOM 0 H ARG A 91 -1.216 -16.690 1.487 1.00 0.84 H new ATOM 0 HA ARG A 91 -1.888 -19.192 2.950 1.00 1.07 H new ATOM 0 HB2 ARG A 91 -0.144 -18.749 4.391 1.00 1.43 H new ATOM 0 HB3 ARG A 91 0.533 -18.522 2.790 1.00 1.43 H new ATOM 0 HG2 ARG A 91 0.435 -16.051 3.092 1.00 1.90 H new ATOM 0 HG3 ARG A 91 -0.259 -16.268 4.686 1.00 1.90 H new ATOM 0 HD2 ARG A 91 1.806 -17.736 5.239 1.00 2.39 H new ATOM 0 HD3 ARG A 91 2.506 -17.157 3.740 1.00 2.39 H new ATOM 0 HE ARG A 91 1.680 -15.355 5.982 1.00 3.65 H new ATOM 0 HH11 ARG A 91 4.124 -16.040 3.455 1.00 5.33 H new ATOM 0 HH12 ARG A 91 5.072 -14.633 3.950 1.00 5.33 H new ATOM 0 HH21 ARG A 91 2.908 -13.687 6.498 1.00 6.17 H new ATOM 0 HH22 ARG A 91 4.403 -13.343 5.621 1.00 6.17 H new ATOM 1446 N PRO A 92 -3.316 -17.903 4.674 1.00 1.13 N ATOM 1447 CA PRO A 92 -4.046 -17.125 5.659 1.00 1.24 C ATOM 1448 C PRO A 92 -3.002 -16.501 6.587 1.00 1.32 C ATOM 1449 O PRO A 92 -2.479 -17.168 7.481 1.00 1.81 O ATOM 1450 CB PRO A 92 -4.987 -18.125 6.344 1.00 1.46 C ATOM 1451 CG PRO A 92 -4.237 -19.457 6.243 1.00 1.53 C ATOM 1452 CD PRO A 92 -3.439 -19.330 4.944 1.00 1.31 C ATOM 0 HA PRO A 92 -4.647 -16.306 5.265 1.00 1.24 H new ATOM 0 HB2 PRO A 92 -5.177 -17.850 7.382 1.00 1.46 H new ATOM 0 HB3 PRO A 92 -5.955 -18.171 5.844 1.00 1.46 H new ATOM 0 HG2 PRO A 92 -3.583 -19.613 7.101 1.00 1.53 H new ATOM 0 HG3 PRO A 92 -4.925 -20.302 6.209 1.00 1.53 H new ATOM 0 HD2 PRO A 92 -2.457 -19.792 5.045 1.00 1.31 H new ATOM 0 HD3 PRO A 92 -3.948 -19.838 4.125 1.00 1.31 H new ATOM 1460 N LEU A 93 -2.657 -15.239 6.335 1.00 1.22 N ATOM 1461 CA LEU A 93 -1.531 -14.548 6.968 1.00 1.31 C ATOM 1462 C LEU A 93 -1.811 -14.141 8.425 1.00 1.26 C ATOM 1463 O LEU A 93 -2.951 -14.200 8.901 1.00 1.73 O ATOM 1464 CB LEU A 93 -1.047 -13.417 6.032 1.00 1.67 C ATOM 1465 CG LEU A 93 -2.097 -12.384 5.561 1.00 1.38 C ATOM 1466 CD1 LEU A 93 -2.306 -11.257 6.581 1.00 2.68 C ATOM 1467 CD2 LEU A 93 -1.657 -11.801 4.209 1.00 1.30 C ATOM 0 H LEU A 93 -3.163 -14.654 5.670 1.00 1.22 H new ATOM 0 HA LEU A 93 -0.694 -15.236 7.087 1.00 1.31 H new ATOM 0 HB2 LEU A 93 -0.248 -12.877 6.541 1.00 1.67 H new ATOM 0 HB3 LEU A 93 -0.607 -13.877 5.147 1.00 1.67 H new ATOM 0 HG LEU A 93 -3.053 -12.898 5.458 1.00 1.38 H new ATOM 0 HD11 LEU A 93 -3.052 -10.558 6.203 1.00 2.68 H new ATOM 0 HD12 LEU A 93 -2.650 -11.680 7.525 1.00 2.68 H new ATOM 0 HD13 LEU A 93 -1.365 -10.731 6.740 1.00 2.68 H new ATOM 0 HD21 LEU A 93 -2.393 -11.072 3.871 1.00 1.30 H new ATOM 0 HD22 LEU A 93 -0.688 -11.314 4.321 1.00 1.30 H new ATOM 0 HD23 LEU A 93 -1.577 -12.603 3.475 1.00 1.30 H new ATOM 1479 N LYS A 94 -0.753 -13.808 9.162 1.00 1.10 N ATOM 1480 CA LYS A 94 -0.752 -13.514 10.598 1.00 1.18 C ATOM 1481 C LYS A 94 0.146 -12.338 10.976 1.00 1.20 C ATOM 1482 O LYS A 94 1.194 -12.084 10.391 1.00 1.78 O ATOM 1483 CB LYS A 94 -0.300 -14.745 11.415 1.00 1.51 C ATOM 1484 CG LYS A 94 -1.170 -15.989 11.249 1.00 1.59 C ATOM 1485 CD LYS A 94 -2.594 -15.774 11.769 1.00 2.98 C ATOM 1486 CE LYS A 94 -3.573 -16.844 11.279 1.00 4.43 C ATOM 1487 NZ LYS A 94 -3.820 -16.704 9.823 1.00 5.64 N ATOM 0 H LYS A 94 0.178 -13.731 8.753 1.00 1.10 H new ATOM 0 HA LYS A 94 -1.782 -13.248 10.836 1.00 1.18 H new ATOM 0 HB2 LYS A 94 0.722 -14.995 11.130 1.00 1.51 H new ATOM 0 HB3 LYS A 94 -0.280 -14.473 12.470 1.00 1.51 H new ATOM 0 HG2 LYS A 94 -1.208 -16.265 10.195 1.00 1.59 H new ATOM 0 HG3 LYS A 94 -0.713 -16.823 11.781 1.00 1.59 H new ATOM 0 HD2 LYS A 94 -2.581 -15.772 12.859 1.00 2.98 H new ATOM 0 HD3 LYS A 94 -2.947 -14.793 11.452 1.00 2.98 H new ATOM 0 HE2 LYS A 94 -3.172 -17.835 11.491 1.00 4.43 H new ATOM 0 HE3 LYS A 94 -4.514 -16.758 11.822 1.00 4.43 H new ATOM 0 HZ1 LYS A 94 -4.792 -17.003 9.605 1.00 5.64 H new ATOM 0 HZ2 LYS A 94 -3.693 -15.710 9.543 1.00 5.64 H new ATOM 0 HZ3 LYS A 94 -3.149 -17.300 9.298 1.00 5.64 H new ATOM 1501 N ALA A 95 -0.269 -11.666 12.045 1.00 1.10 N ATOM 1502 CA ALA A 95 0.518 -10.634 12.699 1.00 1.13 C ATOM 1503 C ALA A 95 1.745 -11.298 13.331 1.00 1.06 C ATOM 1504 O ALA A 95 1.639 -12.390 13.889 1.00 1.17 O ATOM 1505 CB ALA A 95 -0.375 -9.915 13.715 1.00 1.42 C ATOM 0 H ALA A 95 -1.175 -11.828 12.485 1.00 1.10 H new ATOM 0 HA ALA A 95 0.879 -9.880 11.999 1.00 1.13 H new ATOM 0 HB1 ALA A 95 0.199 -9.136 14.217 1.00 1.42 H new ATOM 0 HB2 ALA A 95 -1.224 -9.466 13.200 1.00 1.42 H new ATOM 0 HB3 ALA A 95 -0.736 -10.631 14.453 1.00 1.42 H new ATOM 1511 N GLY A 96 2.899 -10.656 13.187 1.00 1.03 N ATOM 1512 CA GLY A 96 4.211 -11.178 13.585 1.00 1.12 C ATOM 1513 C GLY A 96 4.950 -11.951 12.487 1.00 1.14 C ATOM 1514 O GLY A 96 6.104 -12.304 12.701 1.00 1.56 O ATOM 0 H GLY A 96 2.954 -9.724 12.776 1.00 1.03 H new ATOM 0 HA2 GLY A 96 4.836 -10.345 13.908 1.00 1.12 H new ATOM 0 HA3 GLY A 96 4.081 -11.832 14.447 1.00 1.12 H new ATOM 1518 N GLU A 97 4.320 -12.200 11.329 1.00 0.96 N ATOM 1519 CA GLU A 97 5.006 -12.682 10.124 1.00 0.97 C ATOM 1520 C GLU A 97 5.779 -11.552 9.418 1.00 0.88 C ATOM 1521 O GLU A 97 5.749 -10.385 9.816 1.00 0.83 O ATOM 1522 CB GLU A 97 3.998 -13.254 9.113 1.00 0.99 C ATOM 1523 CG GLU A 97 3.266 -14.528 9.532 1.00 1.20 C ATOM 1524 CD GLU A 97 2.354 -15.018 8.403 1.00 1.40 C ATOM 1525 OE1 GLU A 97 1.684 -14.179 7.755 1.00 2.64 O ATOM 1526 OE2 GLU A 97 2.353 -16.216 8.068 1.00 1.92 O ATOM 0 H GLU A 97 3.316 -12.072 11.203 1.00 0.96 H new ATOM 0 HA GLU A 97 5.701 -13.454 10.454 1.00 0.97 H new ATOM 0 HB2 GLU A 97 3.254 -12.486 8.901 1.00 0.99 H new ATOM 0 HB3 GLU A 97 4.525 -13.454 8.180 1.00 0.99 H new ATOM 0 HG2 GLU A 97 3.989 -15.303 9.786 1.00 1.20 H new ATOM 0 HG3 GLU A 97 2.675 -14.337 10.428 1.00 1.20 H new ATOM 1533 N GLU A 98 6.375 -11.892 8.283 1.00 0.92 N ATOM 1534 CA GLU A 98 7.027 -11.046 7.326 1.00 0.87 C ATOM 1535 C GLU A 98 6.565 -11.496 5.938 1.00 0.86 C ATOM 1536 O GLU A 98 6.091 -12.615 5.711 1.00 1.13 O ATOM 1537 CB GLU A 98 8.550 -11.123 7.492 1.00 1.06 C ATOM 1538 CG GLU A 98 9.113 -12.537 7.283 1.00 2.47 C ATOM 1539 CD GLU A 98 10.617 -12.557 7.518 1.00 2.95 C ATOM 1540 OE1 GLU A 98 11.282 -11.655 6.968 1.00 3.18 O ATOM 1541 OE2 GLU A 98 11.082 -13.474 8.227 1.00 3.95 O ATOM 0 H GLU A 98 6.410 -12.869 7.992 1.00 0.92 H new ATOM 0 HA GLU A 98 6.762 -9.999 7.473 1.00 0.87 H new ATOM 0 HB2 GLU A 98 9.021 -10.443 6.782 1.00 1.06 H new ATOM 0 HB3 GLU A 98 8.818 -10.777 8.490 1.00 1.06 H new ATOM 0 HG2 GLU A 98 8.624 -13.233 7.965 1.00 2.47 H new ATOM 0 HG3 GLU A 98 8.894 -12.875 6.270 1.00 2.47 H new ATOM 1548 N VAL A 99 6.652 -10.549 5.033 1.00 0.74 N ATOM 1549 CA VAL A 99 6.174 -10.536 3.645 1.00 0.69 C ATOM 1550 C VAL A 99 7.143 -9.673 2.827 1.00 0.76 C ATOM 1551 O VAL A 99 7.804 -8.794 3.373 1.00 1.23 O ATOM 1552 CB VAL A 99 4.728 -9.971 3.590 1.00 0.91 C ATOM 1553 CG1 VAL A 99 4.214 -9.712 2.164 1.00 1.33 C ATOM 1554 CG2 VAL A 99 3.735 -10.934 4.265 1.00 1.04 C ATOM 0 H VAL A 99 7.108 -9.666 5.264 1.00 0.74 H new ATOM 0 HA VAL A 99 6.145 -11.544 3.231 1.00 0.69 H new ATOM 0 HB VAL A 99 4.784 -9.018 4.116 1.00 0.91 H new ATOM 0 HG11 VAL A 99 3.198 -9.319 2.209 1.00 1.33 H new ATOM 0 HG12 VAL A 99 4.862 -8.988 1.670 1.00 1.33 H new ATOM 0 HG13 VAL A 99 4.217 -10.645 1.601 1.00 1.33 H new ATOM 0 HG21 VAL A 99 2.730 -10.515 4.213 1.00 1.04 H new ATOM 0 HG22 VAL A 99 3.755 -11.895 3.752 1.00 1.04 H new ATOM 0 HG23 VAL A 99 4.016 -11.074 5.309 1.00 1.04 H new ATOM 1564 N GLU A 100 7.218 -9.890 1.514 1.00 0.60 N ATOM 1565 CA GLU A 100 7.895 -8.972 0.587 1.00 0.61 C ATOM 1566 C GLU A 100 6.914 -8.395 -0.439 1.00 0.61 C ATOM 1567 O GLU A 100 5.895 -9.012 -0.758 1.00 0.61 O ATOM 1568 CB GLU A 100 9.112 -9.626 -0.082 1.00 0.83 C ATOM 1569 CG GLU A 100 8.813 -10.869 -0.933 1.00 1.27 C ATOM 1570 CD GLU A 100 9.969 -11.199 -1.874 1.00 1.47 C ATOM 1571 OE1 GLU A 100 11.110 -10.731 -1.662 1.00 2.28 O ATOM 1572 OE2 GLU A 100 9.725 -11.858 -2.908 1.00 2.19 O ATOM 0 H GLU A 100 6.812 -10.707 1.059 1.00 0.60 H new ATOM 0 HA GLU A 100 8.276 -8.137 1.175 1.00 0.61 H new ATOM 0 HB2 GLU A 100 9.599 -8.884 -0.714 1.00 0.83 H new ATOM 0 HB3 GLU A 100 9.826 -9.902 0.694 1.00 0.83 H new ATOM 0 HG2 GLU A 100 8.621 -11.720 -0.280 1.00 1.27 H new ATOM 0 HG3 GLU A 100 7.906 -10.703 -1.515 1.00 1.27 H new ATOM 1579 N LEU A 101 7.218 -7.211 -0.973 1.00 0.70 N ATOM 1580 CA LEU A 101 6.392 -6.537 -1.970 1.00 0.58 C ATOM 1581 C LEU A 101 7.250 -5.755 -2.967 1.00 0.51 C ATOM 1582 O LEU A 101 8.138 -4.994 -2.597 1.00 0.66 O ATOM 1583 CB LEU A 101 5.283 -5.728 -1.261 1.00 0.66 C ATOM 1584 CG LEU A 101 4.413 -4.765 -2.093 1.00 1.51 C ATOM 1585 CD1 LEU A 101 3.027 -4.616 -1.442 1.00 2.04 C ATOM 1586 CD2 LEU A 101 5.047 -3.374 -2.195 1.00 3.01 C ATOM 0 H LEU A 101 8.057 -6.688 -0.720 1.00 0.70 H new ATOM 0 HA LEU A 101 5.873 -7.265 -2.593 1.00 0.58 H new ATOM 0 HB2 LEU A 101 4.615 -6.440 -0.777 1.00 0.66 H new ATOM 0 HB3 LEU A 101 5.755 -5.145 -0.470 1.00 0.66 H new ATOM 0 HG LEU A 101 4.327 -5.189 -3.093 1.00 1.51 H new ATOM 0 HD11 LEU A 101 2.418 -3.934 -2.035 1.00 2.04 H new ATOM 0 HD12 LEU A 101 2.540 -5.590 -1.395 1.00 2.04 H new ATOM 0 HD13 LEU A 101 3.140 -4.218 -0.434 1.00 2.04 H new ATOM 0 HD21 LEU A 101 4.404 -2.724 -2.789 1.00 3.01 H new ATOM 0 HD22 LEU A 101 5.165 -2.954 -1.196 1.00 3.01 H new ATOM 0 HD23 LEU A 101 6.024 -3.453 -2.673 1.00 3.01 H new ATOM 1598 N ASP A 102 6.924 -5.952 -4.237 1.00 0.53 N ATOM 1599 CA ASP A 102 7.319 -5.190 -5.420 1.00 0.50 C ATOM 1600 C ASP A 102 6.505 -3.899 -5.485 1.00 0.53 C ATOM 1601 O ASP A 102 5.281 -3.929 -5.359 1.00 0.76 O ATOM 1602 CB ASP A 102 6.934 -6.032 -6.648 1.00 0.65 C ATOM 1603 CG ASP A 102 7.964 -7.070 -7.074 1.00 1.06 C ATOM 1604 OD1 ASP A 102 9.153 -6.706 -7.205 1.00 2.18 O ATOM 1605 OD2 ASP A 102 7.525 -8.226 -7.288 1.00 1.60 O ATOM 0 H ASP A 102 6.314 -6.728 -4.493 1.00 0.53 H new ATOM 0 HA ASP A 102 8.385 -4.964 -5.388 1.00 0.50 H new ATOM 0 HB2 ASP A 102 5.994 -6.542 -6.438 1.00 0.65 H new ATOM 0 HB3 ASP A 102 6.752 -5.360 -7.486 1.00 0.65 H new ATOM 1610 N LEU A 103 7.164 -2.775 -5.751 1.00 0.48 N ATOM 1611 CA LEU A 103 6.531 -1.542 -6.210 1.00 0.45 C ATOM 1612 C LEU A 103 6.656 -1.462 -7.728 1.00 0.43 C ATOM 1613 O LEU A 103 7.768 -1.548 -8.251 1.00 0.51 O ATOM 1614 CB LEU A 103 7.211 -0.322 -5.575 1.00 0.60 C ATOM 1615 CG LEU A 103 6.892 -0.131 -4.086 1.00 0.73 C ATOM 1616 CD1 LEU A 103 7.840 -0.921 -3.170 1.00 1.17 C ATOM 1617 CD2 LEU A 103 7.010 1.357 -3.745 1.00 1.22 C ATOM 0 H LEU A 103 8.176 -2.694 -5.651 1.00 0.48 H new ATOM 0 HA LEU A 103 5.481 -1.545 -5.918 1.00 0.45 H new ATOM 0 HB2 LEU A 103 8.290 -0.418 -5.695 1.00 0.60 H new ATOM 0 HB3 LEU A 103 6.908 0.573 -6.118 1.00 0.60 H new ATOM 0 HG LEU A 103 5.882 -0.504 -3.916 1.00 0.73 H new ATOM 0 HD11 LEU A 103 7.568 -0.748 -2.129 1.00 1.17 H new ATOM 0 HD12 LEU A 103 7.760 -1.985 -3.394 1.00 1.17 H new ATOM 0 HD13 LEU A 103 8.865 -0.591 -3.336 1.00 1.17 H new ATOM 0 HD21 LEU A 103 6.786 1.507 -2.689 1.00 1.22 H new ATOM 0 HD22 LEU A 103 8.024 1.699 -3.953 1.00 1.22 H new ATOM 0 HD23 LEU A 103 6.304 1.926 -4.350 1.00 1.22 H new ATOM 1629 N LEU A 104 5.538 -1.251 -8.425 1.00 0.41 N ATOM 1630 CA LEU A 104 5.503 -1.047 -9.868 1.00 0.44 C ATOM 1631 C LEU A 104 5.379 0.452 -10.166 1.00 0.49 C ATOM 1632 O LEU A 104 4.373 1.092 -9.837 1.00 0.50 O ATOM 1633 CB LEU A 104 4.341 -1.851 -10.481 1.00 0.44 C ATOM 1634 CG LEU A 104 4.344 -3.364 -10.175 1.00 0.44 C ATOM 1635 CD1 LEU A 104 3.147 -4.027 -10.870 1.00 0.64 C ATOM 1636 CD2 LEU A 104 5.639 -4.059 -10.616 1.00 0.49 C ATOM 0 H LEU A 104 4.616 -1.217 -7.991 1.00 0.41 H new ATOM 0 HA LEU A 104 6.427 -1.407 -10.321 1.00 0.44 H new ATOM 0 HB2 LEU A 104 3.402 -1.428 -10.124 1.00 0.44 H new ATOM 0 HB3 LEU A 104 4.361 -1.717 -11.563 1.00 0.44 H new ATOM 0 HG LEU A 104 4.272 -3.474 -9.093 1.00 0.44 H new ATOM 0 HD11 LEU A 104 3.148 -5.096 -10.655 1.00 0.64 H new ATOM 0 HD12 LEU A 104 2.222 -3.583 -10.503 1.00 0.64 H new ATOM 0 HD13 LEU A 104 3.221 -3.874 -11.947 1.00 0.64 H new ATOM 0 HD21 LEU A 104 5.583 -5.121 -10.375 1.00 0.49 H new ATOM 0 HD22 LEU A 104 5.769 -3.938 -11.691 1.00 0.49 H new ATOM 0 HD23 LEU A 104 6.487 -3.613 -10.095 1.00 0.49 H new ATOM 1648 N PHE A 105 6.406 1.010 -10.803 1.00 0.60 N ATOM 1649 CA PHE A 105 6.494 2.408 -11.210 1.00 0.70 C ATOM 1650 C PHE A 105 6.436 2.552 -12.739 1.00 0.74 C ATOM 1651 O PHE A 105 6.887 1.684 -13.491 1.00 1.02 O ATOM 1652 CB PHE A 105 7.803 3.011 -10.686 1.00 0.77 C ATOM 1653 CG PHE A 105 7.972 3.039 -9.183 1.00 0.74 C ATOM 1654 CD1 PHE A 105 7.434 4.101 -8.435 1.00 2.12 C ATOM 1655 CD2 PHE A 105 8.737 2.045 -8.543 1.00 1.63 C ATOM 1656 CE1 PHE A 105 7.695 4.196 -7.058 1.00 2.13 C ATOM 1657 CE2 PHE A 105 9.011 2.150 -7.169 1.00 1.62 C ATOM 1658 CZ PHE A 105 8.501 3.232 -6.433 1.00 0.77 C ATOM 0 H PHE A 105 7.236 0.475 -11.060 1.00 0.60 H new ATOM 0 HA PHE A 105 5.641 2.940 -10.788 1.00 0.70 H new ATOM 0 HB2 PHE A 105 8.634 2.450 -11.114 1.00 0.77 H new ATOM 0 HB3 PHE A 105 7.883 4.032 -11.059 1.00 0.77 H new ATOM 0 HD1 PHE A 105 6.819 4.845 -8.920 1.00 2.12 H new ATOM 0 HD2 PHE A 105 9.112 1.204 -9.107 1.00 1.63 H new ATOM 0 HE1 PHE A 105 7.277 5.008 -6.482 1.00 2.13 H new ATOM 0 HE2 PHE A 105 9.613 1.399 -6.679 1.00 1.62 H new ATOM 0 HZ PHE A 105 8.730 3.323 -5.381 1.00 0.77 H new ATOM 1668 N ALA A 106 5.934 3.701 -13.204 1.00 0.62 N ATOM 1669 CA ALA A 106 5.994 4.087 -14.613 1.00 0.62 C ATOM 1670 C ALA A 106 7.455 4.220 -15.101 1.00 1.36 C ATOM 1671 O ALA A 106 8.363 4.523 -14.323 1.00 2.21 O ATOM 1672 CB ALA A 106 5.201 5.384 -14.813 1.00 1.32 C ATOM 0 H ALA A 106 5.474 4.390 -12.609 1.00 0.62 H new ATOM 0 HA ALA A 106 5.540 3.304 -15.220 1.00 0.62 H new ATOM 0 HB1 ALA A 106 5.242 5.677 -15.862 1.00 1.32 H new ATOM 0 HB2 ALA A 106 4.163 5.225 -14.521 1.00 1.32 H new ATOM 0 HB3 ALA A 106 5.634 6.173 -14.198 1.00 1.32 H new ATOM 1678 N GLY A 107 7.686 3.990 -16.401 1.00 2.36 N ATOM 1679 CA GLY A 107 9.031 4.026 -17.002 1.00 3.38 C ATOM 1680 C GLY A 107 9.807 2.707 -16.896 1.00 2.86 C ATOM 1681 O GLY A 107 11.036 2.733 -16.939 1.00 3.87 O ATOM 0 H GLY A 107 6.946 3.773 -17.068 1.00 2.36 H new ATOM 0 HA2 GLY A 107 8.939 4.296 -18.054 1.00 3.38 H new ATOM 0 HA3 GLY A 107 9.610 4.814 -16.521 1.00 3.38 H new ATOM 1685 N GLY A 108 9.106 1.573 -16.742 1.00 1.53 N ATOM 1686 CA GLY A 108 9.696 0.224 -16.768 1.00 1.42 C ATOM 1687 C GLY A 108 10.453 -0.131 -15.490 1.00 1.22 C ATOM 1688 O GLY A 108 11.506 -0.760 -15.553 1.00 1.54 O ATOM 0 H GLY A 108 8.097 1.567 -16.593 1.00 1.53 H new ATOM 0 HA2 GLY A 108 8.904 -0.508 -16.928 1.00 1.42 H new ATOM 0 HA3 GLY A 108 10.376 0.149 -17.617 1.00 1.42 H new ATOM 1692 N LYS A 109 9.973 0.330 -14.331 1.00 0.87 N ATOM 1693 CA LYS A 109 10.728 0.306 -13.074 1.00 0.76 C ATOM 1694 C LYS A 109 10.002 -0.505 -11.996 1.00 0.67 C ATOM 1695 O LYS A 109 8.879 -0.175 -11.634 1.00 0.75 O ATOM 1696 CB LYS A 109 10.953 1.762 -12.637 1.00 0.86 C ATOM 1697 CG LYS A 109 12.055 2.383 -13.498 1.00 1.17 C ATOM 1698 CD LYS A 109 12.033 3.919 -13.464 1.00 1.46 C ATOM 1699 CE LYS A 109 12.727 4.515 -14.698 1.00 2.31 C ATOM 1700 NZ LYS A 109 14.141 4.089 -14.820 1.00 3.27 N ATOM 0 H LYS A 109 9.041 0.734 -14.238 1.00 0.87 H new ATOM 0 HA LYS A 109 11.688 -0.189 -13.223 1.00 0.76 H new ATOM 0 HB2 LYS A 109 10.030 2.332 -12.741 1.00 0.86 H new ATOM 0 HB3 LYS A 109 11.234 1.799 -11.584 1.00 0.86 H new ATOM 0 HG2 LYS A 109 13.026 2.029 -13.151 1.00 1.17 H new ATOM 0 HG3 LYS A 109 11.942 2.044 -14.528 1.00 1.17 H new ATOM 0 HD2 LYS A 109 11.002 4.269 -13.420 1.00 1.46 H new ATOM 0 HD3 LYS A 109 12.529 4.272 -12.560 1.00 1.46 H new ATOM 0 HE2 LYS A 109 12.183 4.217 -15.595 1.00 2.31 H new ATOM 0 HE3 LYS A 109 12.683 5.603 -14.645 1.00 2.31 H new ATOM 0 HZ1 LYS A 109 14.585 4.585 -15.619 1.00 3.27 H new ATOM 0 HZ2 LYS A 109 14.650 4.320 -13.943 1.00 3.27 H new ATOM 0 HZ3 LYS A 109 14.181 3.063 -14.984 1.00 3.27 H new ATOM 1714 N VAL A 110 10.677 -1.528 -11.483 1.00 0.70 N ATOM 1715 CA VAL A 110 10.213 -2.408 -10.406 1.00 0.66 C ATOM 1716 C VAL A 110 11.229 -2.413 -9.261 1.00 0.67 C ATOM 1717 O VAL A 110 12.434 -2.340 -9.520 1.00 0.76 O ATOM 1718 CB VAL A 110 9.929 -3.835 -10.936 1.00 0.72 C ATOM 1719 CG1 VAL A 110 11.157 -4.504 -11.581 1.00 1.98 C ATOM 1720 CG2 VAL A 110 9.355 -4.753 -9.847 1.00 1.89 C ATOM 0 H VAL A 110 11.606 -1.782 -11.819 1.00 0.70 H new ATOM 0 HA VAL A 110 9.270 -2.024 -10.017 1.00 0.66 H new ATOM 0 HB VAL A 110 9.180 -3.698 -11.716 1.00 0.72 H new ATOM 0 HG11 VAL A 110 10.887 -5.501 -11.930 1.00 1.98 H new ATOM 0 HG12 VAL A 110 11.497 -3.904 -12.425 1.00 1.98 H new ATOM 0 HG13 VAL A 110 11.957 -4.582 -10.845 1.00 1.98 H new ATOM 0 HG21 VAL A 110 9.172 -5.743 -10.265 1.00 1.89 H new ATOM 0 HG22 VAL A 110 10.067 -4.832 -9.025 1.00 1.89 H new ATOM 0 HG23 VAL A 110 8.418 -4.337 -9.477 1.00 1.89 H new ATOM 1730 N LEU A 111 10.752 -2.466 -8.011 1.00 0.64 N ATOM 1731 CA LEU A 111 11.599 -2.427 -6.812 1.00 0.64 C ATOM 1732 C LEU A 111 10.965 -3.231 -5.670 1.00 0.58 C ATOM 1733 O LEU A 111 9.920 -2.855 -5.147 1.00 0.82 O ATOM 1734 CB LEU A 111 11.852 -0.944 -6.465 1.00 0.77 C ATOM 1735 CG LEU A 111 12.961 -0.679 -5.422 1.00 0.93 C ATOM 1736 CD1 LEU A 111 13.425 0.780 -5.554 1.00 1.99 C ATOM 1737 CD2 LEU A 111 12.508 -0.935 -3.976 1.00 1.92 C ATOM 0 H LEU A 111 9.756 -2.538 -7.801 1.00 0.64 H new ATOM 0 HA LEU A 111 12.562 -2.905 -6.990 1.00 0.64 H new ATOM 0 HB2 LEU A 111 12.108 -0.414 -7.382 1.00 0.77 H new ATOM 0 HB3 LEU A 111 10.921 -0.512 -6.096 1.00 0.77 H new ATOM 0 HG LEU A 111 13.772 -1.377 -5.628 1.00 0.93 H new ATOM 0 HD11 LEU A 111 14.208 0.980 -4.823 1.00 1.99 H new ATOM 0 HD12 LEU A 111 13.814 0.949 -6.558 1.00 1.99 H new ATOM 0 HD13 LEU A 111 12.582 1.447 -5.375 1.00 1.99 H new ATOM 0 HD21 LEU A 111 13.334 -0.730 -3.294 1.00 1.92 H new ATOM 0 HD22 LEU A 111 11.669 -0.282 -3.736 1.00 1.92 H new ATOM 0 HD23 LEU A 111 12.200 -1.975 -3.870 1.00 1.92 H new ATOM 1749 N LYS A 112 11.608 -4.333 -5.271 1.00 0.74 N ATOM 1750 CA LYS A 112 11.093 -5.250 -4.241 1.00 0.81 C ATOM 1751 C LYS A 112 11.649 -4.932 -2.842 1.00 0.92 C ATOM 1752 O LYS A 112 12.860 -4.971 -2.637 1.00 1.31 O ATOM 1753 CB LYS A 112 11.389 -6.696 -4.684 1.00 1.10 C ATOM 1754 CG LYS A 112 10.511 -7.737 -3.961 1.00 1.49 C ATOM 1755 CD LYS A 112 10.259 -8.982 -4.832 1.00 1.91 C ATOM 1756 CE LYS A 112 11.530 -9.756 -5.210 1.00 1.97 C ATOM 1757 NZ LYS A 112 11.865 -10.776 -4.193 1.00 2.00 N ATOM 0 H LYS A 112 12.509 -4.619 -5.655 1.00 0.74 H new ATOM 0 HA LYS A 112 10.015 -5.120 -4.148 1.00 0.81 H new ATOM 0 HB2 LYS A 112 11.233 -6.780 -5.759 1.00 1.10 H new ATOM 0 HB3 LYS A 112 12.439 -6.920 -4.496 1.00 1.10 H new ATOM 0 HG2 LYS A 112 10.995 -8.037 -3.031 1.00 1.49 H new ATOM 0 HG3 LYS A 112 9.557 -7.283 -3.692 1.00 1.49 H new ATOM 0 HD2 LYS A 112 9.584 -9.653 -4.300 1.00 1.91 H new ATOM 0 HD3 LYS A 112 9.749 -8.675 -5.745 1.00 1.91 H new ATOM 0 HE2 LYS A 112 11.390 -10.238 -6.178 1.00 1.97 H new ATOM 0 HE3 LYS A 112 12.362 -9.061 -5.318 1.00 1.97 H new ATOM 0 HZ1 LYS A 112 12.747 -11.257 -4.462 1.00 2.00 H new ATOM 0 HZ2 LYS A 112 11.989 -10.317 -3.268 1.00 2.00 H new ATOM 0 HZ3 LYS A 112 11.095 -11.472 -4.133 1.00 2.00 H new ATOM 1771 N VAL A 113 10.764 -4.642 -1.887 1.00 0.77 N ATOM 1772 CA VAL A 113 11.061 -4.345 -0.468 1.00 0.92 C ATOM 1773 C VAL A 113 10.586 -5.510 0.422 1.00 0.88 C ATOM 1774 O VAL A 113 9.779 -6.331 -0.004 1.00 0.83 O ATOM 1775 CB VAL A 113 10.411 -3.005 -0.028 1.00 1.04 C ATOM 1776 CG1 VAL A 113 10.967 -2.473 1.306 1.00 1.62 C ATOM 1777 CG2 VAL A 113 10.591 -1.887 -1.072 1.00 1.85 C ATOM 0 H VAL A 113 9.764 -4.604 -2.084 1.00 0.77 H new ATOM 0 HA VAL A 113 12.140 -4.236 -0.354 1.00 0.92 H new ATOM 0 HB VAL A 113 9.355 -3.251 0.084 1.00 1.04 H new ATOM 0 HG11 VAL A 113 10.473 -1.535 1.558 1.00 1.62 H new ATOM 0 HG12 VAL A 113 10.783 -3.203 2.094 1.00 1.62 H new ATOM 0 HG13 VAL A 113 12.040 -2.304 1.212 1.00 1.62 H new ATOM 0 HG21 VAL A 113 10.117 -0.974 -0.712 1.00 1.85 H new ATOM 0 HG22 VAL A 113 11.654 -1.706 -1.232 1.00 1.85 H new ATOM 0 HG23 VAL A 113 10.129 -2.189 -2.012 1.00 1.85 H new ATOM 1787 N VAL A 114 11.072 -5.566 1.664 1.00 1.02 N ATOM 1788 CA VAL A 114 10.741 -6.574 2.695 1.00 1.06 C ATOM 1789 C VAL A 114 10.113 -5.878 3.915 1.00 1.06 C ATOM 1790 O VAL A 114 10.522 -4.772 4.271 1.00 1.12 O ATOM 1791 CB VAL A 114 11.993 -7.391 3.102 1.00 1.28 C ATOM 1792 CG1 VAL A 114 11.663 -8.453 4.167 1.00 1.57 C ATOM 1793 CG2 VAL A 114 12.618 -8.097 1.883 1.00 2.25 C ATOM 0 H VAL A 114 11.743 -4.877 2.004 1.00 1.02 H new ATOM 0 HA VAL A 114 10.019 -7.277 2.279 1.00 1.06 H new ATOM 0 HB VAL A 114 12.703 -6.677 3.519 1.00 1.28 H new ATOM 0 HG11 VAL A 114 12.568 -9.004 4.424 1.00 1.57 H new ATOM 0 HG12 VAL A 114 11.270 -7.964 5.058 1.00 1.57 H new ATOM 0 HG13 VAL A 114 10.918 -9.144 3.773 1.00 1.57 H new ATOM 0 HG21 VAL A 114 13.494 -8.662 2.200 1.00 2.25 H new ATOM 0 HG22 VAL A 114 11.888 -8.776 1.442 1.00 2.25 H new ATOM 0 HG23 VAL A 114 12.914 -7.353 1.144 1.00 2.25 H new ATOM 1803 N LEU A 115 9.092 -6.497 4.526 1.00 1.10 N ATOM 1804 CA LEU A 115 8.192 -5.869 5.498 1.00 1.11 C ATOM 1805 C LEU A 115 7.505 -6.870 6.461 1.00 0.97 C ATOM 1806 O LEU A 115 7.111 -7.957 6.026 1.00 0.98 O ATOM 1807 CB LEU A 115 7.160 -4.958 4.799 1.00 1.27 C ATOM 1808 CG LEU A 115 6.298 -5.541 3.658 1.00 1.48 C ATOM 1809 CD1 LEU A 115 5.080 -4.634 3.426 1.00 1.87 C ATOM 1810 CD2 LEU A 115 7.064 -5.612 2.333 1.00 2.48 C ATOM 0 H LEU A 115 8.865 -7.476 4.351 1.00 1.10 H new ATOM 0 HA LEU A 115 8.829 -5.250 6.130 1.00 1.11 H new ATOM 0 HB2 LEU A 115 6.482 -4.582 5.565 1.00 1.27 H new ATOM 0 HB3 LEU A 115 7.698 -4.098 4.399 1.00 1.27 H new ATOM 0 HG LEU A 115 6.008 -6.547 3.960 1.00 1.48 H new ATOM 0 HD11 LEU A 115 4.470 -5.043 2.621 1.00 1.87 H new ATOM 0 HD12 LEU A 115 4.487 -4.580 4.339 1.00 1.87 H new ATOM 0 HD13 LEU A 115 5.418 -3.634 3.153 1.00 1.87 H new ATOM 0 HD21 LEU A 115 6.417 -6.028 1.561 1.00 2.48 H new ATOM 0 HD22 LEU A 115 7.379 -4.610 2.041 1.00 2.48 H new ATOM 0 HD23 LEU A 115 7.941 -6.248 2.453 1.00 2.48 H new ATOM 1822 N PRO A 116 7.313 -6.515 7.751 1.00 0.89 N ATOM 1823 CA PRO A 116 6.532 -7.308 8.696 1.00 0.82 C ATOM 1824 C PRO A 116 5.022 -7.221 8.432 1.00 0.81 C ATOM 1825 O PRO A 116 4.527 -6.310 7.761 1.00 0.93 O ATOM 1826 CB PRO A 116 6.883 -6.760 10.083 1.00 0.88 C ATOM 1827 CG PRO A 116 7.205 -5.294 9.799 1.00 0.89 C ATOM 1828 CD PRO A 116 7.897 -5.374 8.441 1.00 0.94 C ATOM 0 HA PRO A 116 6.775 -8.366 8.601 1.00 0.82 H new ATOM 0 HB2 PRO A 116 6.052 -6.863 10.780 1.00 0.88 H new ATOM 0 HB3 PRO A 116 7.733 -7.283 10.521 1.00 0.88 H new ATOM 0 HG2 PRO A 116 6.306 -4.679 9.762 1.00 0.89 H new ATOM 0 HG3 PRO A 116 7.854 -4.864 10.562 1.00 0.89 H new ATOM 0 HD2 PRO A 116 7.745 -4.456 7.873 1.00 0.94 H new ATOM 0 HD3 PRO A 116 8.973 -5.501 8.560 1.00 0.94 H new ATOM 1836 N VAL A 117 4.284 -8.160 9.022 1.00 0.77 N ATOM 1837 CA VAL A 117 2.824 -8.113 9.172 1.00 0.81 C ATOM 1838 C VAL A 117 2.478 -7.703 10.618 1.00 0.92 C ATOM 1839 O VAL A 117 3.004 -8.295 11.560 1.00 0.94 O ATOM 1840 CB VAL A 117 2.212 -9.495 8.845 1.00 0.78 C ATOM 1841 CG1 VAL A 117 0.677 -9.438 8.805 1.00 0.86 C ATOM 1842 CG2 VAL A 117 2.706 -10.077 7.510 1.00 0.77 C ATOM 0 H VAL A 117 4.696 -9.003 9.423 1.00 0.77 H new ATOM 0 HA VAL A 117 2.409 -7.381 8.480 1.00 0.81 H new ATOM 0 HB VAL A 117 2.545 -10.148 9.652 1.00 0.78 H new ATOM 0 HG11 VAL A 117 0.282 -10.427 8.572 1.00 0.86 H new ATOM 0 HG12 VAL A 117 0.299 -9.115 9.775 1.00 0.86 H new ATOM 0 HG13 VAL A 117 0.359 -8.731 8.039 1.00 0.86 H new ATOM 0 HG21 VAL A 117 2.239 -11.047 7.341 1.00 0.77 H new ATOM 0 HG22 VAL A 117 2.441 -9.400 6.698 1.00 0.77 H new ATOM 0 HG23 VAL A 117 3.789 -10.197 7.544 1.00 0.77 H new ATOM 1852 N GLU A 118 1.584 -6.728 10.807 1.00 1.07 N ATOM 1853 CA GLU A 118 1.111 -6.207 12.090 1.00 1.17 C ATOM 1854 C GLU A 118 -0.285 -5.588 11.887 1.00 1.65 C ATOM 1855 O GLU A 118 -0.472 -4.745 11.016 1.00 2.45 O ATOM 1856 CB GLU A 118 2.122 -5.179 12.630 1.00 1.42 C ATOM 1857 CG GLU A 118 1.569 -4.478 13.872 1.00 2.03 C ATOM 1858 CD GLU A 118 2.601 -3.568 14.537 1.00 2.55 C ATOM 1859 OE1 GLU A 118 3.054 -2.632 13.845 1.00 3.48 O ATOM 1860 OE2 GLU A 118 2.885 -3.804 15.733 1.00 3.14 O ATOM 0 H GLU A 118 1.145 -6.253 10.018 1.00 1.07 H new ATOM 0 HA GLU A 118 1.028 -7.006 12.827 1.00 1.17 H new ATOM 0 HB2 GLU A 118 3.060 -5.678 12.875 1.00 1.42 H new ATOM 0 HB3 GLU A 118 2.345 -4.441 11.859 1.00 1.42 H new ATOM 0 HG2 GLU A 118 0.695 -3.889 13.594 1.00 2.03 H new ATOM 0 HG3 GLU A 118 1.234 -5.227 14.589 1.00 2.03 H new