USER MOD reduce.3.24.130724 H: found=0, std=0, add=404, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 406 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 12 SER OG : rot 126:sc= 0.843 USER MOD Single : A 19 HIS : no HD1:sc= -1.93 X(o=-1.9,f=-1.5) USER MOD Single : A 21 THR OG1 : rot 107:sc= 1.31 USER MOD Single : A 22 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 24 ASN : amide:sc= -0.0173 X(o=-0.017,f=0) USER MOD Single : A 30 LYS NZ :NH3+ 151:sc= 1.01 (180deg=0.365) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.0925 K(o=-0.093,f=-1.7!) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 89 N ILE A 10 0.785 -7.953 -13.874 1.00 0.00 N ATOM 90 CA ILE A 10 0.236 -6.942 -12.979 1.00 0.00 C ATOM 91 C ILE A 10 -0.950 -7.490 -12.192 1.00 0.00 C ATOM 92 O ILE A 10 -1.922 -7.975 -12.771 1.00 0.00 O ATOM 93 CB ILE A 10 -0.211 -5.688 -13.753 1.00 0.00 C ATOM 94 CG1 ILE A 10 0.983 -5.048 -14.465 1.00 0.00 C ATOM 95 CG2 ILE A 10 -0.869 -4.690 -12.811 1.00 0.00 C ATOM 96 CD1 ILE A 10 1.217 -5.592 -15.857 1.00 0.00 C ATOM 0 HA ILE A 10 1.032 -6.667 -12.287 1.00 0.00 H new ATOM 0 HB ILE A 10 -0.942 -5.985 -14.505 1.00 0.00 H new ATOM 0 HG12 ILE A 10 0.825 -3.971 -14.526 1.00 0.00 H new ATOM 0 HG13 ILE A 10 1.880 -5.205 -13.866 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -1.179 -3.809 -13.373 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -1.741 -5.149 -12.346 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -0.158 -4.396 -12.039 1.00 0.00 H new ATOM 0 HD11 ILE A 10 2.078 -5.094 -16.302 1.00 0.00 H new ATOM 0 HD12 ILE A 10 1.406 -6.664 -15.802 1.00 0.00 H new ATOM 0 HD13 ILE A 10 0.335 -5.411 -16.472 1.00 0.00 H new ATOM 108 N VAL A 11 -0.863 -7.407 -10.868 1.00 0.00 N ATOM 109 CA VAL A 11 -1.931 -7.891 -10.001 1.00 0.00 C ATOM 110 C VAL A 11 -2.635 -6.736 -9.298 1.00 0.00 C ATOM 111 O VAL A 11 -2.042 -5.682 -9.069 1.00 0.00 O ATOM 112 CB VAL A 11 -1.391 -8.871 -8.941 1.00 0.00 C ATOM 113 CG1 VAL A 11 -2.536 -9.609 -8.264 1.00 0.00 C ATOM 114 CG2 VAL A 11 -0.413 -9.850 -9.571 1.00 0.00 C ATOM 0 H VAL A 11 -0.065 -7.010 -10.373 1.00 0.00 H new ATOM 0 HA VAL A 11 -2.645 -8.413 -10.638 1.00 0.00 H new ATOM 0 HB VAL A 11 -0.859 -8.300 -8.180 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -2.136 -10.296 -7.519 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -3.195 -8.890 -7.777 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -3.099 -10.170 -9.010 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -0.041 -10.535 -8.809 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -0.919 -10.417 -10.353 1.00 0.00 H new ATOM 0 HG23 VAL A 11 0.423 -9.301 -10.004 1.00 0.00 H new ATOM 124 N SER A 12 -3.903 -6.943 -8.957 1.00 0.00 N ATOM 125 CA SER A 12 -4.690 -5.917 -8.282 1.00 0.00 C ATOM 126 C SER A 12 -5.423 -6.500 -7.078 1.00 0.00 C ATOM 127 O SER A 12 -6.101 -7.521 -7.185 1.00 0.00 O ATOM 128 CB SER A 12 -5.695 -5.294 -9.253 1.00 0.00 C ATOM 129 OG SER A 12 -6.380 -6.293 -9.988 1.00 0.00 O ATOM 0 H SER A 12 -4.407 -7.811 -9.137 1.00 0.00 H new ATOM 0 HA SER A 12 -4.008 -5.143 -7.930 1.00 0.00 H new ATOM 0 HB2 SER A 12 -6.413 -4.689 -8.700 1.00 0.00 H new ATOM 0 HB3 SER A 12 -5.176 -4.625 -9.939 1.00 0.00 H new ATOM 0 HG SER A 12 -7.347 -6.171 -9.884 1.00 0.00 H new ATOM 135 N ALA A 13 -5.282 -5.841 -5.932 1.00 0.00 N ATOM 136 CA ALA A 13 -5.932 -6.292 -4.707 1.00 0.00 C ATOM 137 C ALA A 13 -6.990 -5.294 -4.249 1.00 0.00 C ATOM 138 O ALA A 13 -6.901 -4.103 -4.542 1.00 0.00 O ATOM 139 CB ALA A 13 -4.899 -6.509 -3.611 1.00 0.00 C ATOM 0 H ALA A 13 -4.724 -4.994 -5.826 1.00 0.00 H new ATOM 0 HA ALA A 13 -6.429 -7.239 -4.915 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -5.398 -6.845 -2.702 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -4.181 -7.264 -3.932 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -4.377 -5.573 -3.413 1.00 0.00 H new ATOM 145 N GLU A 14 -7.992 -5.790 -3.530 1.00 0.00 N ATOM 146 CA GLU A 14 -9.069 -4.941 -3.033 1.00 0.00 C ATOM 147 C GLU A 14 -9.013 -4.826 -1.512 1.00 0.00 C ATOM 148 O GLU A 14 -9.008 -5.832 -0.803 1.00 0.00 O ATOM 149 CB GLU A 14 -10.427 -5.498 -3.464 1.00 0.00 C ATOM 150 CG GLU A 14 -11.606 -4.819 -2.786 1.00 0.00 C ATOM 151 CD GLU A 14 -12.901 -5.587 -2.963 1.00 0.00 C ATOM 152 OE1 GLU A 14 -13.241 -5.921 -4.117 1.00 0.00 O ATOM 153 OE2 GLU A 14 -13.576 -5.853 -1.946 1.00 0.00 O ATOM 0 H GLU A 14 -8.081 -6.775 -3.279 1.00 0.00 H new ATOM 0 HA GLU A 14 -8.940 -3.946 -3.460 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -10.528 -5.390 -4.544 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -10.458 -6.565 -3.246 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -11.395 -4.710 -1.722 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -11.725 -3.815 -3.192 1.00 0.00 H new ATOM 160 N ALA A 15 -8.971 -3.593 -1.019 1.00 0.00 N ATOM 161 CA ALA A 15 -8.917 -3.345 0.416 1.00 0.00 C ATOM 162 C ALA A 15 -10.116 -3.965 1.125 1.00 0.00 C ATOM 163 O ALA A 15 -11.223 -3.429 1.078 1.00 0.00 O ATOM 164 CB ALA A 15 -8.853 -1.850 0.692 1.00 0.00 C ATOM 0 H ALA A 15 -8.973 -2.750 -1.593 1.00 0.00 H new ATOM 0 HA ALA A 15 -8.014 -3.814 0.807 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -8.813 -1.680 1.768 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -7.961 -1.432 0.225 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -9.739 -1.366 0.281 1.00 0.00 H new ATOM 170 N VAL A 16 -9.889 -5.098 1.782 1.00 0.00 N ATOM 171 CA VAL A 16 -10.951 -5.791 2.502 1.00 0.00 C ATOM 172 C VAL A 16 -11.147 -5.200 3.894 1.00 0.00 C ATOM 173 O VAL A 16 -12.270 -5.120 4.392 1.00 0.00 O ATOM 174 CB VAL A 16 -10.651 -7.296 2.633 1.00 0.00 C ATOM 175 CG1 VAL A 16 -9.385 -7.520 3.446 1.00 0.00 C ATOM 176 CG2 VAL A 16 -11.832 -8.022 3.259 1.00 0.00 C ATOM 0 H VAL A 16 -8.979 -5.556 1.831 1.00 0.00 H new ATOM 0 HA VAL A 16 -11.865 -5.659 1.922 1.00 0.00 H new ATOM 0 HB VAL A 16 -10.490 -7.705 1.635 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -9.189 -8.589 3.528 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -8.544 -7.034 2.951 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -9.513 -7.097 4.443 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -11.603 -9.084 3.344 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -12.027 -7.612 4.250 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -12.714 -7.890 2.632 1.00 0.00 H new ATOM 186 N TRP A 17 -10.049 -4.788 4.515 1.00 0.00 N ATOM 187 CA TRP A 17 -10.100 -4.203 5.851 1.00 0.00 C ATOM 188 C TRP A 17 -9.359 -2.872 5.891 1.00 0.00 C ATOM 189 O TRP A 17 -8.162 -2.809 5.609 1.00 0.00 O ATOM 190 CB TRP A 17 -9.500 -5.167 6.875 1.00 0.00 C ATOM 191 CG TRP A 17 -10.507 -6.103 7.472 1.00 0.00 C ATOM 192 CD1 TRP A 17 -11.202 -7.083 6.821 1.00 0.00 C ATOM 193 CD2 TRP A 17 -10.934 -6.146 8.838 1.00 0.00 C ATOM 194 NE1 TRP A 17 -12.034 -7.732 7.701 1.00 0.00 N ATOM 195 CE2 TRP A 17 -11.888 -7.177 8.944 1.00 0.00 C ATOM 196 CE3 TRP A 17 -10.601 -5.416 9.982 1.00 0.00 C ATOM 197 CZ2 TRP A 17 -12.512 -7.492 10.148 1.00 0.00 C ATOM 198 CZ3 TRP A 17 -11.221 -5.730 11.176 1.00 0.00 C ATOM 199 CH2 TRP A 17 -12.167 -6.761 11.252 1.00 0.00 C ATOM 0 H TRP A 17 -9.112 -4.848 4.116 1.00 0.00 H new ATOM 0 HA TRP A 17 -11.145 -4.022 6.102 1.00 0.00 H new ATOM 0 HB2 TRP A 17 -8.712 -5.749 6.397 1.00 0.00 H new ATOM 0 HB3 TRP A 17 -9.031 -4.592 7.673 1.00 0.00 H new ATOM 0 HD1 TRP A 17 -11.111 -7.313 5.770 1.00 0.00 H new ATOM 0 HE1 TRP A 17 -12.659 -8.503 7.466 1.00 0.00 H new ATOM 0 HE3 TRP A 17 -9.872 -4.621 9.934 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 -13.242 -8.285 10.208 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 -10.972 -5.171 12.066 1.00 0.00 H new ATOM 0 HH2 TRP A 17 -12.633 -6.983 12.201 1.00 0.00 H new ATOM 210 N ASP A 18 -10.075 -1.811 6.245 1.00 0.00 N ATOM 211 CA ASP A 18 -9.484 -0.480 6.323 1.00 0.00 C ATOM 212 C ASP A 18 -8.122 -0.530 7.010 1.00 0.00 C ATOM 213 O ASP A 18 -7.987 -1.082 8.103 1.00 0.00 O ATOM 214 CB ASP A 18 -10.414 0.471 7.077 1.00 0.00 C ATOM 215 CG ASP A 18 -11.877 0.126 6.882 1.00 0.00 C ATOM 216 OD1 ASP A 18 -12.456 0.552 5.861 1.00 0.00 O ATOM 217 OD2 ASP A 18 -12.444 -0.571 7.750 1.00 0.00 O ATOM 0 H ASP A 18 -11.066 -1.846 6.483 1.00 0.00 H new ATOM 0 HA ASP A 18 -9.346 -0.111 5.307 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -10.175 0.441 8.140 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -10.236 1.492 6.739 1.00 0.00 H new ATOM 222 N HIS A 19 -7.116 0.048 6.362 1.00 0.00 N ATOM 223 CA HIS A 19 -5.765 0.069 6.910 1.00 0.00 C ATOM 224 C HIS A 19 -5.337 1.494 7.248 1.00 0.00 C ATOM 225 O HIS A 19 -4.576 2.117 6.507 1.00 0.00 O ATOM 226 CB HIS A 19 -4.780 -0.550 5.918 1.00 0.00 C ATOM 227 CG HIS A 19 -3.382 -0.652 6.447 1.00 0.00 C ATOM 228 ND1 HIS A 19 -2.301 -0.053 5.836 1.00 0.00 N ATOM 229 CD2 HIS A 19 -2.892 -1.288 7.537 1.00 0.00 C ATOM 230 CE1 HIS A 19 -1.206 -0.318 6.526 1.00 0.00 C ATOM 231 NE2 HIS A 19 -1.538 -1.065 7.564 1.00 0.00 N ATOM 0 H HIS A 19 -7.211 0.508 5.457 1.00 0.00 H new ATOM 0 HA HIS A 19 -5.763 -0.519 7.828 1.00 0.00 H new ATOM 0 HB2 HIS A 19 -5.130 -1.545 5.644 1.00 0.00 H new ATOM 0 HB3 HIS A 19 -4.772 0.047 5.006 1.00 0.00 H new ATOM 0 HD2 HIS A 19 -3.461 -1.864 8.252 1.00 0.00 H new ATOM 0 HE1 HIS A 19 -0.209 0.019 6.283 1.00 0.00 H new ATOM 0 HE2 HIS A 19 -0.893 -1.419 8.271 1.00 0.00 H new ATOM 240 N VAL A 20 -5.833 2.006 8.370 1.00 0.00 N ATOM 241 CA VAL A 20 -5.502 3.357 8.806 1.00 0.00 C ATOM 242 C VAL A 20 -4.046 3.451 9.250 1.00 0.00 C ATOM 243 O VAL A 20 -3.501 2.512 9.831 1.00 0.00 O ATOM 244 CB VAL A 20 -6.410 3.812 9.964 1.00 0.00 C ATOM 245 CG1 VAL A 20 -6.064 5.231 10.389 1.00 0.00 C ATOM 246 CG2 VAL A 20 -7.874 3.708 9.564 1.00 0.00 C ATOM 0 H VAL A 20 -6.466 1.505 8.994 1.00 0.00 H new ATOM 0 HA VAL A 20 -5.661 4.013 7.950 1.00 0.00 H new ATOM 0 HB VAL A 20 -6.242 3.153 10.816 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -6.716 5.535 11.208 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -5.026 5.269 10.718 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -6.202 5.907 9.545 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -8.502 4.033 10.394 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -8.060 4.342 8.697 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -8.110 2.674 9.314 1.00 0.00 H new ATOM 256 N THR A 21 -3.421 4.590 8.972 1.00 0.00 N ATOM 257 CA THR A 21 -2.028 4.807 9.341 1.00 0.00 C ATOM 258 C THR A 21 -1.860 6.111 10.112 1.00 0.00 C ATOM 259 O THR A 21 -2.356 7.157 9.696 1.00 0.00 O ATOM 260 CB THR A 21 -1.115 4.837 8.100 1.00 0.00 C ATOM 261 OG1 THR A 21 -1.471 5.939 7.257 1.00 0.00 O ATOM 262 CG2 THR A 21 -1.224 3.537 7.317 1.00 0.00 C ATOM 0 H THR A 21 -3.858 5.377 8.492 1.00 0.00 H new ATOM 0 HA THR A 21 -1.737 3.971 9.977 1.00 0.00 H new ATOM 0 HB THR A 21 -0.085 4.955 8.436 1.00 0.00 H new ATOM 0 HG1 THR A 21 -0.784 6.635 7.322 1.00 0.00 H new ATOM 0 HG21 THR A 21 -0.571 3.581 6.446 1.00 0.00 H new ATOM 0 HG22 THR A 21 -0.925 2.703 7.952 1.00 0.00 H new ATOM 0 HG23 THR A 21 -2.254 3.394 6.991 1.00 0.00 H new ATOM 270 N MET A 22 -1.157 6.041 11.238 1.00 0.00 N ATOM 271 CA MET A 22 -0.922 7.218 12.067 1.00 0.00 C ATOM 272 C MET A 22 -0.225 8.315 11.268 1.00 0.00 C ATOM 273 O MET A 22 -0.524 9.498 11.429 1.00 0.00 O ATOM 274 CB MET A 22 -0.081 6.848 13.289 1.00 0.00 C ATOM 275 CG MET A 22 1.280 6.269 12.938 1.00 0.00 C ATOM 276 SD MET A 22 2.275 5.898 14.395 1.00 0.00 S ATOM 277 CE MET A 22 3.741 5.203 13.636 1.00 0.00 C ATOM 0 H MET A 22 -0.740 5.182 11.597 1.00 0.00 H new ATOM 0 HA MET A 22 -1.889 7.595 12.402 1.00 0.00 H new ATOM 0 HB2 MET A 22 0.059 7.736 13.906 1.00 0.00 H new ATOM 0 HB3 MET A 22 -0.630 6.125 13.892 1.00 0.00 H new ATOM 0 HG2 MET A 22 1.143 5.358 12.355 1.00 0.00 H new ATOM 0 HG3 MET A 22 1.818 6.975 12.305 1.00 0.00 H new ATOM 0 HE1 MET A 22 4.454 4.923 14.411 1.00 0.00 H new ATOM 0 HE2 MET A 22 3.468 4.320 13.058 1.00 0.00 H new ATOM 0 HE3 MET A 22 4.194 5.942 12.976 1.00 0.00 H new ATOM 287 N ALA A 23 0.705 7.914 10.408 1.00 0.00 N ATOM 288 CA ALA A 23 1.443 8.863 9.583 1.00 0.00 C ATOM 289 C ALA A 23 0.876 8.918 8.169 1.00 0.00 C ATOM 290 O ALA A 23 0.042 8.096 7.792 1.00 0.00 O ATOM 291 CB ALA A 23 2.919 8.496 9.549 1.00 0.00 C ATOM 0 H ALA A 23 0.966 6.938 10.264 1.00 0.00 H new ATOM 0 HA ALA A 23 1.337 9.853 10.027 1.00 0.00 H new ATOM 0 HB1 ALA A 23 3.458 9.213 8.930 1.00 0.00 H new ATOM 0 HB2 ALA A 23 3.322 8.516 10.561 1.00 0.00 H new ATOM 0 HB3 ALA A 23 3.036 7.496 9.132 1.00 0.00 H new ATOM 297 N ASN A 24 1.335 9.893 7.390 1.00 0.00 N ATOM 298 CA ASN A 24 0.872 10.056 6.017 1.00 0.00 C ATOM 299 C ASN A 24 1.748 9.265 5.050 1.00 0.00 C ATOM 300 O ASN A 24 1.278 8.795 4.014 1.00 0.00 O ATOM 301 CB ASN A 24 0.872 11.536 5.628 1.00 0.00 C ATOM 302 CG ASN A 24 0.148 11.791 4.321 1.00 0.00 C ATOM 303 OD1 ASN A 24 -1.058 12.039 4.304 1.00 0.00 O ATOM 304 ND2 ASN A 24 0.883 11.729 3.216 1.00 0.00 N ATOM 0 H ASN A 24 2.027 10.581 7.686 1.00 0.00 H new ATOM 0 HA ASN A 24 -0.146 9.671 5.956 1.00 0.00 H new ATOM 0 HB2 ASN A 24 0.400 12.117 6.421 1.00 0.00 H new ATOM 0 HB3 ASN A 24 1.901 11.887 5.545 1.00 0.00 H new ATOM 0 HD21 ASN A 24 0.451 11.890 2.306 1.00 0.00 H new ATOM 0 HD22 ASN A 24 1.880 11.520 3.277 1.00 0.00 H new ATOM 311 N ARG A 25 3.022 9.121 5.398 1.00 0.00 N ATOM 312 CA ARG A 25 3.964 8.387 4.561 1.00 0.00 C ATOM 313 C ARG A 25 3.442 6.986 4.255 1.00 0.00 C ATOM 314 O ARG A 25 3.472 6.540 3.108 1.00 0.00 O ATOM 315 CB ARG A 25 5.327 8.296 5.250 1.00 0.00 C ATOM 316 CG ARG A 25 6.248 9.464 4.936 1.00 0.00 C ATOM 317 CD ARG A 25 5.668 10.779 5.432 1.00 0.00 C ATOM 318 NE ARG A 25 6.624 11.877 5.315 1.00 0.00 N ATOM 319 CZ ARG A 25 7.713 11.986 6.067 1.00 0.00 C ATOM 320 NH1 ARG A 25 7.984 11.069 6.985 1.00 0.00 N ATOM 321 NH2 ARG A 25 8.535 13.015 5.901 1.00 0.00 N ATOM 0 H ARG A 25 3.426 9.503 6.253 1.00 0.00 H new ATOM 0 HA ARG A 25 4.075 8.928 3.621 1.00 0.00 H new ATOM 0 HB2 ARG A 25 5.177 8.243 6.328 1.00 0.00 H new ATOM 0 HB3 ARG A 25 5.815 7.369 4.950 1.00 0.00 H new ATOM 0 HG2 ARG A 25 7.221 9.296 5.399 1.00 0.00 H new ATOM 0 HG3 ARG A 25 6.412 9.520 3.860 1.00 0.00 H new ATOM 0 HD2 ARG A 25 4.770 11.017 4.862 1.00 0.00 H new ATOM 0 HD3 ARG A 25 5.365 10.672 6.473 1.00 0.00 H new ATOM 0 HE ARG A 25 6.445 12.600 4.618 1.00 0.00 H new ATOM 0 HH11 ARG A 25 7.355 10.277 7.115 1.00 0.00 H new ATOM 0 HH12 ARG A 25 8.821 11.156 7.561 1.00 0.00 H new ATOM 0 HH21 ARG A 25 8.330 13.723 5.195 1.00 0.00 H new ATOM 0 HH22 ARG A 25 9.371 13.098 6.479 1.00 0.00 H new ATOM 335 N GLU A 26 2.966 6.299 5.288 1.00 0.00 N ATOM 336 CA GLU A 26 2.439 4.948 5.128 1.00 0.00 C ATOM 337 C GLU A 26 1.130 4.964 4.343 1.00 0.00 C ATOM 338 O GLU A 26 0.149 5.579 4.763 1.00 0.00 O ATOM 339 CB GLU A 26 2.218 4.298 6.496 1.00 0.00 C ATOM 340 CG GLU A 26 3.508 3.989 7.238 1.00 0.00 C ATOM 341 CD GLU A 26 3.300 3.846 8.733 1.00 0.00 C ATOM 342 OE1 GLU A 26 2.923 4.847 9.377 1.00 0.00 O ATOM 343 OE2 GLU A 26 3.515 2.734 9.259 1.00 0.00 O ATOM 0 H GLU A 26 2.934 6.654 6.244 1.00 0.00 H new ATOM 0 HA GLU A 26 3.170 4.364 4.570 1.00 0.00 H new ATOM 0 HB2 GLU A 26 1.606 4.960 7.109 1.00 0.00 H new ATOM 0 HB3 GLU A 26 1.655 3.374 6.363 1.00 0.00 H new ATOM 0 HG2 GLU A 26 3.937 3.068 6.845 1.00 0.00 H new ATOM 0 HG3 GLU A 26 4.230 4.783 7.050 1.00 0.00 H new ATOM 350 N LEU A 27 1.124 4.284 3.202 1.00 0.00 N ATOM 351 CA LEU A 27 -0.063 4.220 2.357 1.00 0.00 C ATOM 352 C LEU A 27 -1.331 4.158 3.202 1.00 0.00 C ATOM 353 O LEU A 27 -1.482 3.279 4.049 1.00 0.00 O ATOM 354 CB LEU A 27 0.008 3.001 1.436 1.00 0.00 C ATOM 355 CG LEU A 27 -0.841 3.068 0.166 1.00 0.00 C ATOM 356 CD1 LEU A 27 -0.514 4.323 -0.629 1.00 0.00 C ATOM 357 CD2 LEU A 27 -0.626 1.825 -0.686 1.00 0.00 C ATOM 0 H LEU A 27 1.927 3.769 2.841 1.00 0.00 H new ATOM 0 HA LEU A 27 -0.096 5.125 1.751 1.00 0.00 H new ATOM 0 HB2 LEU A 27 1.048 2.850 1.146 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -0.295 2.122 2.006 1.00 0.00 H new ATOM 0 HG LEU A 27 -1.891 3.109 0.456 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -1.128 4.354 -1.529 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -0.719 5.203 -0.020 1.00 0.00 H new ATOM 0 HD13 LEU A 27 0.540 4.313 -0.908 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -1.238 1.890 -1.586 1.00 0.00 H new ATOM 0 HD22 LEU A 27 0.425 1.753 -0.967 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -0.911 0.940 -0.117 1.00 0.00 H new ATOM 369 N ALA A 28 -2.241 5.098 2.965 1.00 0.00 N ATOM 370 CA ALA A 28 -3.498 5.148 3.702 1.00 0.00 C ATOM 371 C ALA A 28 -4.687 4.926 2.774 1.00 0.00 C ATOM 372 O ALA A 28 -4.945 5.727 1.875 1.00 0.00 O ATOM 373 CB ALA A 28 -3.632 6.480 4.425 1.00 0.00 C ATOM 0 H ALA A 28 -2.131 5.835 2.268 1.00 0.00 H new ATOM 0 HA ALA A 28 -3.491 4.345 4.439 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -4.575 6.504 4.971 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -2.804 6.599 5.124 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -3.613 7.292 3.698 1.00 0.00 H new ATOM 379 N PHE A 29 -5.409 3.832 2.996 1.00 0.00 N ATOM 380 CA PHE A 29 -6.571 3.503 2.179 1.00 0.00 C ATOM 381 C PHE A 29 -7.712 2.975 3.043 1.00 0.00 C ATOM 382 O PHE A 29 -7.552 2.770 4.246 1.00 0.00 O ATOM 383 CB PHE A 29 -6.197 2.466 1.118 1.00 0.00 C ATOM 384 CG PHE A 29 -5.459 1.281 1.672 1.00 0.00 C ATOM 385 CD1 PHE A 29 -6.151 0.216 2.226 1.00 0.00 C ATOM 386 CD2 PHE A 29 -4.075 1.232 1.638 1.00 0.00 C ATOM 387 CE1 PHE A 29 -5.474 -0.876 2.738 1.00 0.00 C ATOM 388 CE2 PHE A 29 -3.393 0.143 2.147 1.00 0.00 C ATOM 389 CZ PHE A 29 -4.094 -0.913 2.697 1.00 0.00 C ATOM 0 H PHE A 29 -5.209 3.158 3.735 1.00 0.00 H new ATOM 0 HA PHE A 29 -6.906 4.415 1.684 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -7.105 2.120 0.624 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -5.581 2.944 0.356 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -7.230 0.239 2.258 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -3.522 2.055 1.209 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -6.024 -1.699 3.170 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -2.314 0.117 2.115 1.00 0.00 H new ATOM 0 HZ PHE A 29 -3.564 -1.766 3.094 1.00 0.00 H new ATOM 399 N LYS A 30 -8.866 2.758 2.420 1.00 0.00 N ATOM 400 CA LYS A 30 -10.035 2.254 3.130 1.00 0.00 C ATOM 401 C LYS A 30 -10.716 1.143 2.336 1.00 0.00 C ATOM 402 O LYS A 30 -10.509 1.013 1.130 1.00 0.00 O ATOM 403 CB LYS A 30 -11.027 3.389 3.392 1.00 0.00 C ATOM 404 CG LYS A 30 -11.367 4.199 2.153 1.00 0.00 C ATOM 405 CD LYS A 30 -10.418 5.373 1.977 1.00 0.00 C ATOM 406 CE LYS A 30 -11.100 6.541 1.280 1.00 0.00 C ATOM 407 NZ LYS A 30 -11.132 6.362 -0.198 1.00 0.00 N ATOM 0 H LYS A 30 -9.016 2.924 1.425 1.00 0.00 H new ATOM 0 HA LYS A 30 -9.701 1.844 4.083 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -11.945 2.970 3.805 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -10.612 4.055 4.149 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -11.320 3.557 1.273 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -12.391 4.565 2.226 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -10.050 5.694 2.951 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -9.551 5.058 1.397 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -12.118 6.644 1.656 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -10.576 7.465 1.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -11.964 6.848 -0.589 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -10.269 6.765 -0.615 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -11.185 5.348 -0.424 1.00 0.00 H new ATOM 421 N ALA A 31 -11.529 0.346 3.021 1.00 0.00 N ATOM 422 CA ALA A 31 -12.243 -0.751 2.378 1.00 0.00 C ATOM 423 C ALA A 31 -12.928 -0.285 1.098 1.00 0.00 C ATOM 424 O ALA A 31 -13.957 0.388 1.143 1.00 0.00 O ATOM 425 CB ALA A 31 -13.261 -1.351 3.336 1.00 0.00 C ATOM 0 H ALA A 31 -11.710 0.439 4.021 1.00 0.00 H new ATOM 0 HA ALA A 31 -11.516 -1.518 2.111 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -13.787 -2.169 2.843 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -12.749 -1.730 4.221 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -13.978 -0.585 3.632 1.00 0.00 H new ATOM 431 N GLY A 32 -12.350 -0.648 -0.043 1.00 0.00 N ATOM 432 CA GLY A 32 -12.919 -0.257 -1.320 1.00 0.00 C ATOM 433 C GLY A 32 -11.874 0.269 -2.283 1.00 0.00 C ATOM 434 O GLY A 32 -11.929 -0.008 -3.481 1.00 0.00 O ATOM 0 H GLY A 32 -11.498 -1.206 -0.106 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -13.423 -1.114 -1.768 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -13.677 0.509 -1.157 1.00 0.00 H new ATOM 438 N ASP A 33 -10.921 1.032 -1.760 1.00 0.00 N ATOM 439 CA ASP A 33 -9.858 1.599 -2.583 1.00 0.00 C ATOM 440 C ASP A 33 -9.105 0.503 -3.330 1.00 0.00 C ATOM 441 O ASP A 33 -8.736 -0.518 -2.749 1.00 0.00 O ATOM 442 CB ASP A 33 -8.887 2.403 -1.717 1.00 0.00 C ATOM 443 CG ASP A 33 -9.525 3.651 -1.138 1.00 0.00 C ATOM 444 OD1 ASP A 33 -10.762 3.661 -0.966 1.00 0.00 O ATOM 445 OD2 ASP A 33 -8.786 4.618 -0.857 1.00 0.00 O ATOM 0 H ASP A 33 -10.862 1.272 -0.770 1.00 0.00 H new ATOM 0 HA ASP A 33 -10.315 2.264 -3.315 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -8.523 1.774 -0.905 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -8.020 2.685 -2.314 1.00 0.00 H new ATOM 450 N VAL A 34 -8.881 0.721 -4.622 1.00 0.00 N ATOM 451 CA VAL A 34 -8.172 -0.248 -5.449 1.00 0.00 C ATOM 452 C VAL A 34 -6.685 0.081 -5.529 1.00 0.00 C ATOM 453 O VAL A 34 -6.301 1.152 -5.999 1.00 0.00 O ATOM 454 CB VAL A 34 -8.752 -0.301 -6.875 1.00 0.00 C ATOM 455 CG1 VAL A 34 -7.990 -1.306 -7.725 1.00 0.00 C ATOM 456 CG2 VAL A 34 -10.235 -0.639 -6.834 1.00 0.00 C ATOM 0 H VAL A 34 -9.180 1.560 -5.119 1.00 0.00 H new ATOM 0 HA VAL A 34 -8.301 -1.222 -4.976 1.00 0.00 H new ATOM 0 HB VAL A 34 -8.639 0.682 -7.331 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -8.414 -1.329 -8.729 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -6.941 -1.014 -7.781 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -8.068 -2.296 -7.275 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -10.629 -0.672 -7.850 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -10.374 -1.610 -6.359 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -10.766 0.123 -6.264 1.00 0.00 H new ATOM 466 N ILE A 35 -5.854 -0.847 -5.067 1.00 0.00 N ATOM 467 CA ILE A 35 -4.409 -0.656 -5.087 1.00 0.00 C ATOM 468 C ILE A 35 -3.756 -1.523 -6.158 1.00 0.00 C ATOM 469 O ILE A 35 -4.049 -2.713 -6.274 1.00 0.00 O ATOM 470 CB ILE A 35 -3.778 -0.984 -3.721 1.00 0.00 C ATOM 471 CG1 ILE A 35 -4.368 -0.085 -2.633 1.00 0.00 C ATOM 472 CG2 ILE A 35 -2.267 -0.826 -3.785 1.00 0.00 C ATOM 473 CD1 ILE A 35 -4.404 -0.733 -1.267 1.00 0.00 C ATOM 0 H ILE A 35 -6.156 -1.738 -4.674 1.00 0.00 H new ATOM 0 HA ILE A 35 -4.232 0.395 -5.315 1.00 0.00 H new ATOM 0 HB ILE A 35 -4.005 -2.020 -3.471 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -3.783 0.833 -2.575 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -5.381 0.199 -2.918 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -1.835 -1.061 -2.812 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -1.862 -1.505 -4.536 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -2.020 0.201 -4.053 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -4.834 -0.038 -0.546 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -5.013 -1.636 -1.309 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -3.391 -0.993 -0.961 1.00 0.00 H new ATOM 485 N LYS A 36 -2.866 -0.919 -6.939 1.00 0.00 N ATOM 486 CA LYS A 36 -2.167 -1.635 -7.999 1.00 0.00 C ATOM 487 C LYS A 36 -0.935 -2.350 -7.452 1.00 0.00 C ATOM 488 O LYS A 36 0.073 -1.718 -7.135 1.00 0.00 O ATOM 489 CB LYS A 36 -1.756 -0.667 -9.111 1.00 0.00 C ATOM 490 CG LYS A 36 -1.594 -1.332 -10.467 1.00 0.00 C ATOM 491 CD LYS A 36 -0.935 -0.401 -11.470 1.00 0.00 C ATOM 492 CE LYS A 36 -0.457 -1.155 -12.701 1.00 0.00 C ATOM 493 NZ LYS A 36 -0.305 -0.256 -13.879 1.00 0.00 N ATOM 0 H LYS A 36 -2.612 0.065 -6.857 1.00 0.00 H new ATOM 0 HA LYS A 36 -2.847 -2.382 -8.408 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -2.504 0.122 -9.190 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -0.816 -0.188 -8.836 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -0.995 -2.236 -10.360 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -2.570 -1.639 -10.841 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -1.642 0.373 -11.768 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -0.090 0.103 -11.000 1.00 0.00 H new ATOM 0 HE2 LYS A 36 0.498 -1.635 -12.485 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -1.166 -1.948 -12.939 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 0.022 -0.808 -14.697 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -1.221 0.183 -14.102 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 0.390 0.486 -13.662 1.00 0.00 H new ATOM 507 N VAL A 37 -1.023 -3.672 -7.345 1.00 0.00 N ATOM 508 CA VAL A 37 0.085 -4.473 -6.839 1.00 0.00 C ATOM 509 C VAL A 37 1.223 -4.539 -7.851 1.00 0.00 C ATOM 510 O VAL A 37 1.087 -5.144 -8.916 1.00 0.00 O ATOM 511 CB VAL A 37 -0.367 -5.905 -6.497 1.00 0.00 C ATOM 512 CG1 VAL A 37 0.759 -6.675 -5.824 1.00 0.00 C ATOM 513 CG2 VAL A 37 -1.606 -5.876 -5.615 1.00 0.00 C ATOM 0 H VAL A 37 -1.850 -4.211 -7.602 1.00 0.00 H new ATOM 0 HA VAL A 37 0.438 -3.985 -5.931 1.00 0.00 H new ATOM 0 HB VAL A 37 -0.621 -6.418 -7.425 1.00 0.00 H new ATOM 0 HG11 VAL A 37 0.420 -7.684 -5.590 1.00 0.00 H new ATOM 0 HG12 VAL A 37 1.616 -6.726 -6.495 1.00 0.00 H new ATOM 0 HG13 VAL A 37 1.048 -6.167 -4.904 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -1.912 -6.896 -5.383 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -1.382 -5.345 -4.690 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -2.414 -5.366 -6.139 1.00 0.00 H new ATOM 523 N LEU A 38 2.346 -3.914 -7.513 1.00 0.00 N ATOM 524 CA LEU A 38 3.509 -3.902 -8.393 1.00 0.00 C ATOM 525 C LEU A 38 4.552 -4.915 -7.931 1.00 0.00 C ATOM 526 O LEU A 38 5.151 -5.619 -8.744 1.00 0.00 O ATOM 527 CB LEU A 38 4.125 -2.503 -8.437 1.00 0.00 C ATOM 528 CG LEU A 38 3.220 -1.387 -8.958 1.00 0.00 C ATOM 529 CD1 LEU A 38 3.937 -0.047 -8.902 1.00 0.00 C ATOM 530 CD2 LEU A 38 2.762 -1.690 -10.377 1.00 0.00 C ATOM 0 H LEU A 38 2.475 -3.409 -6.636 1.00 0.00 H new ATOM 0 HA LEU A 38 3.179 -4.179 -9.394 1.00 0.00 H new ATOM 0 HB2 LEU A 38 4.450 -2.239 -7.431 1.00 0.00 H new ATOM 0 HB3 LEU A 38 5.018 -2.541 -9.061 1.00 0.00 H new ATOM 0 HG LEU A 38 2.340 -1.331 -8.318 1.00 0.00 H new ATOM 0 HD11 LEU A 38 3.277 0.735 -9.277 1.00 0.00 H new ATOM 0 HD12 LEU A 38 4.213 0.175 -7.871 1.00 0.00 H new ATOM 0 HD13 LEU A 38 4.836 -0.089 -9.518 1.00 0.00 H new ATOM 0 HD21 LEU A 38 2.119 -0.885 -10.731 1.00 0.00 H new ATOM 0 HD22 LEU A 38 3.631 -1.774 -11.030 1.00 0.00 H new ATOM 0 HD23 LEU A 38 2.208 -2.629 -10.388 1.00 0.00 H new ATOM 542 N ASP A 39 4.762 -4.984 -6.621 1.00 0.00 N ATOM 543 CA ASP A 39 5.730 -5.913 -6.049 1.00 0.00 C ATOM 544 C ASP A 39 5.038 -6.937 -5.155 1.00 0.00 C ATOM 545 O ASP A 39 4.661 -6.633 -4.024 1.00 0.00 O ATOM 546 CB ASP A 39 6.789 -5.152 -5.250 1.00 0.00 C ATOM 547 CG ASP A 39 7.695 -6.078 -4.462 1.00 0.00 C ATOM 548 OD1 ASP A 39 8.370 -6.922 -5.088 1.00 0.00 O ATOM 549 OD2 ASP A 39 7.731 -5.957 -3.220 1.00 0.00 O ATOM 0 H ASP A 39 4.275 -4.408 -5.935 1.00 0.00 H new ATOM 0 HA ASP A 39 6.216 -6.443 -6.868 1.00 0.00 H new ATOM 0 HB2 ASP A 39 7.392 -4.551 -5.931 1.00 0.00 H new ATOM 0 HB3 ASP A 39 6.297 -4.461 -4.566 1.00 0.00 H new ATOM 554 N ALA A 40 4.873 -8.151 -5.671 1.00 0.00 N ATOM 555 CA ALA A 40 4.227 -9.219 -4.919 1.00 0.00 C ATOM 556 C ALA A 40 5.116 -10.457 -4.851 1.00 0.00 C ATOM 557 O ALA A 40 4.867 -11.450 -5.535 1.00 0.00 O ATOM 558 CB ALA A 40 2.883 -9.566 -5.543 1.00 0.00 C ATOM 0 H ALA A 40 5.178 -8.419 -6.607 1.00 0.00 H new ATOM 0 HA ALA A 40 4.062 -8.865 -3.901 1.00 0.00 H new ATOM 0 HB1 ALA A 40 2.412 -10.365 -4.971 1.00 0.00 H new ATOM 0 HB2 ALA A 40 2.240 -8.686 -5.535 1.00 0.00 H new ATOM 0 HB3 ALA A 40 3.033 -9.896 -6.571 1.00 0.00 H new ATOM 611 N ASP A 44 4.327 -10.576 2.864 1.00 0.00 N ATOM 612 CA ASP A 44 4.873 -9.783 3.960 1.00 0.00 C ATOM 613 C ASP A 44 4.879 -8.299 3.608 1.00 0.00 C ATOM 614 O ASP A 44 4.195 -7.498 4.244 1.00 0.00 O ATOM 615 CB ASP A 44 6.292 -10.246 4.295 1.00 0.00 C ATOM 616 CG ASP A 44 6.311 -11.341 5.344 1.00 0.00 C ATOM 617 OD1 ASP A 44 5.467 -11.297 6.264 1.00 0.00 O ATOM 618 OD2 ASP A 44 7.170 -12.243 5.244 1.00 0.00 O ATOM 0 HA ASP A 44 4.236 -9.928 4.832 1.00 0.00 H new ATOM 0 HB2 ASP A 44 6.777 -10.607 3.388 1.00 0.00 H new ATOM 0 HB3 ASP A 44 6.874 -9.396 4.651 1.00 0.00 H new ATOM 623 N TRP A 45 5.656 -7.941 2.592 1.00 0.00 N ATOM 624 CA TRP A 45 5.752 -6.553 2.156 1.00 0.00 C ATOM 625 C TRP A 45 5.343 -6.412 0.694 1.00 0.00 C ATOM 626 O TRP A 45 6.089 -6.793 -0.208 1.00 0.00 O ATOM 627 CB TRP A 45 7.177 -6.032 2.352 1.00 0.00 C ATOM 628 CG TRP A 45 7.406 -5.423 3.702 1.00 0.00 C ATOM 629 CD1 TRP A 45 8.291 -5.845 4.653 1.00 0.00 C ATOM 630 CD2 TRP A 45 6.738 -4.282 4.252 1.00 0.00 C ATOM 631 NE1 TRP A 45 8.213 -5.036 5.760 1.00 0.00 N ATOM 632 CE2 TRP A 45 7.269 -4.068 5.539 1.00 0.00 C ATOM 633 CE3 TRP A 45 5.745 -3.419 3.782 1.00 0.00 C ATOM 634 CZ2 TRP A 45 6.837 -3.029 6.359 1.00 0.00 C ATOM 635 CZ3 TRP A 45 5.318 -2.388 4.597 1.00 0.00 C ATOM 636 CH2 TRP A 45 5.864 -2.199 5.873 1.00 0.00 C ATOM 0 H TRP A 45 6.228 -8.592 2.055 1.00 0.00 H new ATOM 0 HA TRP A 45 5.069 -5.960 2.764 1.00 0.00 H new ATOM 0 HB2 TRP A 45 7.879 -6.853 2.208 1.00 0.00 H new ATOM 0 HB3 TRP A 45 7.393 -5.289 1.585 1.00 0.00 H new ATOM 0 HD1 TRP A 45 8.955 -6.691 4.550 1.00 0.00 H new ATOM 0 HE1 TRP A 45 8.768 -5.139 6.609 1.00 0.00 H new ATOM 0 HE3 TRP A 45 5.319 -3.555 2.799 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 7.255 -2.883 7.344 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 4.550 -1.716 4.244 1.00 0.00 H new ATOM 0 HH2 TRP A 45 5.510 -1.382 6.485 1.00 0.00 H new ATOM 647 N TRP A 46 4.155 -5.863 0.467 1.00 0.00 N ATOM 648 CA TRP A 46 3.648 -5.672 -0.887 1.00 0.00 C ATOM 649 C TRP A 46 3.479 -4.190 -1.201 1.00 0.00 C ATOM 650 O TRP A 46 2.769 -3.474 -0.495 1.00 0.00 O ATOM 651 CB TRP A 46 2.313 -6.399 -1.061 1.00 0.00 C ATOM 652 CG TRP A 46 2.466 -7.826 -1.492 1.00 0.00 C ATOM 653 CD1 TRP A 46 3.596 -8.589 -1.417 1.00 0.00 C ATOM 654 CD2 TRP A 46 1.454 -8.660 -2.068 1.00 0.00 C ATOM 655 NE1 TRP A 46 3.348 -9.847 -1.911 1.00 0.00 N ATOM 656 CE2 TRP A 46 2.041 -9.916 -2.316 1.00 0.00 C ATOM 657 CE3 TRP A 46 0.109 -8.468 -2.396 1.00 0.00 C ATOM 658 CZ2 TRP A 46 1.328 -10.972 -2.877 1.00 0.00 C ATOM 659 CZ3 TRP A 46 -0.597 -9.518 -2.953 1.00 0.00 C ATOM 660 CH2 TRP A 46 0.013 -10.757 -3.188 1.00 0.00 C ATOM 0 H TRP A 46 3.525 -5.542 1.203 1.00 0.00 H new ATOM 0 HA TRP A 46 4.375 -6.091 -1.583 1.00 0.00 H new ATOM 0 HB2 TRP A 46 1.765 -6.368 -0.119 1.00 0.00 H new ATOM 0 HB3 TRP A 46 1.711 -5.867 -1.798 1.00 0.00 H new ATOM 0 HD1 TRP A 46 4.545 -8.253 -1.027 1.00 0.00 H new ATOM 0 HE1 TRP A 46 4.027 -10.606 -1.967 1.00 0.00 H new ATOM 0 HE3 TRP A 46 -0.370 -7.517 -2.218 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 1.797 -11.928 -3.060 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 -1.637 -9.381 -3.211 1.00 0.00 H new ATOM 0 HH2 TRP A 46 -0.566 -11.558 -3.623 1.00 0.00 H new ATOM 671 N TRP A 47 4.134 -3.736 -2.264 1.00 0.00 N ATOM 672 CA TRP A 47 4.055 -2.338 -2.671 1.00 0.00 C ATOM 673 C TRP A 47 2.822 -2.091 -3.533 1.00 0.00 C ATOM 674 O TRP A 47 2.470 -2.912 -4.379 1.00 0.00 O ATOM 675 CB TRP A 47 5.317 -1.936 -3.436 1.00 0.00 C ATOM 676 CG TRP A 47 5.346 -0.486 -3.814 1.00 0.00 C ATOM 677 CD1 TRP A 47 4.865 0.071 -4.964 1.00 0.00 C ATOM 678 CD2 TRP A 47 5.887 0.590 -3.040 1.00 0.00 C ATOM 679 NE1 TRP A 47 5.073 1.429 -4.952 1.00 0.00 N ATOM 680 CE2 TRP A 47 5.698 1.773 -3.782 1.00 0.00 C ATOM 681 CE3 TRP A 47 6.510 0.671 -1.792 1.00 0.00 C ATOM 682 CZ2 TRP A 47 6.112 3.018 -3.316 1.00 0.00 C ATOM 683 CZ3 TRP A 47 6.920 1.908 -1.331 1.00 0.00 C ATOM 684 CH2 TRP A 47 6.719 3.067 -2.091 1.00 0.00 C ATOM 0 H TRP A 47 4.726 -4.316 -2.859 1.00 0.00 H new ATOM 0 HA TRP A 47 3.974 -1.727 -1.772 1.00 0.00 H new ATOM 0 HB2 TRP A 47 6.191 -2.162 -2.825 1.00 0.00 H new ATOM 0 HB3 TRP A 47 5.394 -2.541 -4.339 1.00 0.00 H new ATOM 0 HD1 TRP A 47 4.391 -0.476 -5.766 1.00 0.00 H new ATOM 0 HE1 TRP A 47 4.806 2.076 -5.694 1.00 0.00 H new ATOM 0 HE3 TRP A 47 6.668 -0.217 -1.198 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 5.959 3.913 -3.901 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 7.404 1.982 -0.368 1.00 0.00 H new ATOM 0 HH2 TRP A 47 7.050 4.019 -1.702 1.00 0.00 H new ATOM 695 N GLY A 48 2.170 -0.953 -3.313 1.00 0.00 N ATOM 696 CA GLY A 48 0.983 -0.619 -4.079 1.00 0.00 C ATOM 697 C GLY A 48 1.005 0.808 -4.589 1.00 0.00 C ATOM 698 O GLY A 48 1.292 1.738 -3.836 1.00 0.00 O ATOM 0 H GLY A 48 2.442 -0.257 -2.619 1.00 0.00 H new ATOM 0 HA2 GLY A 48 0.895 -1.302 -4.924 1.00 0.00 H new ATOM 0 HA3 GLY A 48 0.100 -0.766 -3.457 1.00 0.00 H new ATOM 702 N GLN A 49 0.703 0.981 -5.872 1.00 0.00 N ATOM 703 CA GLN A 49 0.693 2.305 -6.482 1.00 0.00 C ATOM 704 C GLN A 49 -0.734 2.757 -6.776 1.00 0.00 C ATOM 705 O GLN A 49 -1.465 2.096 -7.514 1.00 0.00 O ATOM 706 CB GLN A 49 1.516 2.302 -7.772 1.00 0.00 C ATOM 707 CG GLN A 49 1.382 3.581 -8.582 1.00 0.00 C ATOM 708 CD GLN A 49 1.636 3.365 -10.061 1.00 0.00 C ATOM 709 OE1 GLN A 49 1.367 2.290 -10.598 1.00 0.00 O ATOM 710 NE2 GLN A 49 2.156 4.389 -10.728 1.00 0.00 N ATOM 0 H GLN A 49 0.462 0.221 -6.509 1.00 0.00 H new ATOM 0 HA GLN A 49 1.139 3.006 -5.777 1.00 0.00 H new ATOM 0 HB2 GLN A 49 2.566 2.148 -7.523 1.00 0.00 H new ATOM 0 HB3 GLN A 49 1.207 1.458 -8.388 1.00 0.00 H new ATOM 0 HG2 GLN A 49 0.381 3.990 -8.445 1.00 0.00 H new ATOM 0 HG3 GLN A 49 2.084 4.323 -8.201 1.00 0.00 H new ATOM 0 HE21 GLN A 49 2.363 5.262 -10.242 1.00 0.00 H new ATOM 0 HE22 GLN A 49 2.348 4.303 -11.726 1.00 0.00 H new ATOM 719 N ILE A 50 -1.122 3.887 -6.195 1.00 0.00 N ATOM 720 CA ILE A 50 -2.461 4.427 -6.396 1.00 0.00 C ATOM 721 C ILE A 50 -2.437 5.613 -7.355 1.00 0.00 C ATOM 722 O ILE A 50 -1.419 6.290 -7.495 1.00 0.00 O ATOM 723 CB ILE A 50 -3.095 4.871 -5.064 1.00 0.00 C ATOM 724 CG1 ILE A 50 -3.382 3.655 -4.181 1.00 0.00 C ATOM 725 CG2 ILE A 50 -4.371 5.659 -5.321 1.00 0.00 C ATOM 726 CD1 ILE A 50 -3.716 4.014 -2.750 1.00 0.00 C ATOM 0 H ILE A 50 -0.529 4.446 -5.582 1.00 0.00 H new ATOM 0 HA ILE A 50 -3.063 3.627 -6.826 1.00 0.00 H new ATOM 0 HB ILE A 50 -2.391 5.518 -4.541 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -4.212 3.093 -4.609 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -2.513 2.997 -4.189 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -4.807 5.966 -4.370 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -4.139 6.543 -5.916 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -5.082 5.034 -5.861 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -3.908 3.104 -2.182 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -2.878 4.550 -2.304 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -4.603 4.647 -2.731 1.00 0.00 H new ATOM 738 N ASP A 51 -3.566 5.859 -8.010 1.00 0.00 N ATOM 739 CA ASP A 51 -3.676 6.965 -8.954 1.00 0.00 C ATOM 740 C ASP A 51 -2.790 8.132 -8.530 1.00 0.00 C ATOM 741 O ASP A 51 -1.858 8.507 -9.241 1.00 0.00 O ATOM 742 CB ASP A 51 -5.130 7.427 -9.064 1.00 0.00 C ATOM 743 CG ASP A 51 -6.048 6.334 -9.577 1.00 0.00 C ATOM 744 OD1 ASP A 51 -5.653 5.626 -10.527 1.00 0.00 O ATOM 745 OD2 ASP A 51 -7.159 6.187 -9.028 1.00 0.00 O ATOM 0 H ASP A 51 -4.418 5.308 -7.905 1.00 0.00 H new ATOM 0 HA ASP A 51 -3.340 6.612 -9.929 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -5.477 7.760 -8.086 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -5.185 8.287 -9.731 1.00 0.00 H new ATOM 750 N ASP A 52 -3.087 8.702 -7.367 1.00 0.00 N ATOM 751 CA ASP A 52 -2.318 9.827 -6.848 1.00 0.00 C ATOM 752 C ASP A 52 -1.379 9.374 -5.734 1.00 0.00 C ATOM 753 O ASP A 52 -0.215 9.771 -5.692 1.00 0.00 O ATOM 754 CB ASP A 52 -3.255 10.918 -6.329 1.00 0.00 C ATOM 755 CG ASP A 52 -2.575 12.270 -6.237 1.00 0.00 C ATOM 756 OD1 ASP A 52 -1.523 12.360 -5.573 1.00 0.00 O ATOM 757 OD2 ASP A 52 -3.097 13.238 -6.830 1.00 0.00 O ATOM 0 H ASP A 52 -3.855 8.403 -6.766 1.00 0.00 H new ATOM 0 HA ASP A 52 -1.719 10.232 -7.663 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -4.120 10.994 -6.988 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -3.628 10.634 -5.345 1.00 0.00 H new ATOM 762 N GLU A 53 -1.893 8.542 -4.835 1.00 0.00 N ATOM 763 CA GLU A 53 -1.100 8.037 -3.720 1.00 0.00 C ATOM 764 C GLU A 53 -0.172 6.916 -4.176 1.00 0.00 C ATOM 765 O GLU A 53 -0.430 6.254 -5.181 1.00 0.00 O ATOM 766 CB GLU A 53 -2.015 7.534 -2.601 1.00 0.00 C ATOM 767 CG GLU A 53 -2.964 8.594 -2.068 1.00 0.00 C ATOM 768 CD GLU A 53 -4.249 8.003 -1.519 1.00 0.00 C ATOM 769 OE1 GLU A 53 -4.223 6.838 -1.073 1.00 0.00 O ATOM 770 OE2 GLU A 53 -5.280 8.708 -1.536 1.00 0.00 O ATOM 0 H GLU A 53 -2.855 8.203 -4.856 1.00 0.00 H new ATOM 0 HA GLU A 53 -0.491 8.857 -3.340 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -2.597 6.690 -2.971 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -1.401 7.162 -1.781 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -2.465 9.162 -1.283 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -3.203 9.297 -2.866 1.00 0.00 H new ATOM 777 N GLU A 54 0.909 6.709 -3.430 1.00 0.00 N ATOM 778 CA GLU A 54 1.876 5.669 -3.759 1.00 0.00 C ATOM 779 C GLU A 54 2.679 5.263 -2.526 1.00 0.00 C ATOM 780 O GLU A 54 3.242 6.109 -1.832 1.00 0.00 O ATOM 781 CB GLU A 54 2.822 6.151 -4.861 1.00 0.00 C ATOM 782 CG GLU A 54 2.133 6.384 -6.195 1.00 0.00 C ATOM 783 CD GLU A 54 3.098 6.817 -7.282 1.00 0.00 C ATOM 784 OE1 GLU A 54 4.158 6.174 -7.426 1.00 0.00 O ATOM 785 OE2 GLU A 54 2.792 7.801 -7.988 1.00 0.00 O ATOM 0 H GLU A 54 1.137 7.248 -2.594 1.00 0.00 H new ATOM 0 HA GLU A 54 1.327 4.798 -4.117 1.00 0.00 H new ATOM 0 HB2 GLU A 54 3.298 7.078 -4.540 1.00 0.00 H new ATOM 0 HB3 GLU A 54 3.615 5.415 -4.995 1.00 0.00 H new ATOM 0 HG2 GLU A 54 1.630 5.468 -6.505 1.00 0.00 H new ATOM 0 HG3 GLU A 54 1.363 7.146 -6.074 1.00 0.00 H new ATOM 792 N GLY A 55 2.726 3.961 -2.260 1.00 0.00 N ATOM 793 CA GLY A 55 3.461 3.465 -1.111 1.00 0.00 C ATOM 794 C GLY A 55 3.310 1.968 -0.929 1.00 0.00 C ATOM 795 O GLY A 55 3.022 1.246 -1.883 1.00 0.00 O ATOM 0 H GLY A 55 2.268 3.241 -2.819 1.00 0.00 H new ATOM 0 HA2 GLY A 55 4.517 3.709 -1.226 1.00 0.00 H new ATOM 0 HA3 GLY A 55 3.112 3.974 -0.213 1.00 0.00 H new ATOM 799 N TRP A 56 3.505 1.501 0.299 1.00 0.00 N ATOM 800 CA TRP A 56 3.390 0.079 0.603 1.00 0.00 C ATOM 801 C TRP A 56 2.050 -0.230 1.261 1.00 0.00 C ATOM 802 O TRP A 56 1.297 0.677 1.615 1.00 0.00 O ATOM 803 CB TRP A 56 4.535 -0.363 1.516 1.00 0.00 C ATOM 804 CG TRP A 56 4.656 0.465 2.759 1.00 0.00 C ATOM 805 CD1 TRP A 56 3.730 0.589 3.755 1.00 0.00 C ATOM 806 CD2 TRP A 56 5.767 1.286 3.138 1.00 0.00 C ATOM 807 NE1 TRP A 56 4.198 1.437 4.730 1.00 0.00 N ATOM 808 CE2 TRP A 56 5.445 1.877 4.375 1.00 0.00 C ATOM 809 CE3 TRP A 56 7.002 1.577 2.553 1.00 0.00 C ATOM 810 CZ2 TRP A 56 6.315 2.742 5.035 1.00 0.00 C ATOM 811 CZ3 TRP A 56 7.864 2.435 3.209 1.00 0.00 C ATOM 812 CH2 TRP A 56 7.518 3.009 4.439 1.00 0.00 C ATOM 0 H TRP A 56 3.743 2.086 1.100 1.00 0.00 H new ATOM 0 HA TRP A 56 3.449 -0.474 -0.335 1.00 0.00 H new ATOM 0 HB2 TRP A 56 4.385 -1.406 1.796 1.00 0.00 H new ATOM 0 HB3 TRP A 56 5.472 -0.313 0.962 1.00 0.00 H new ATOM 0 HD1 TRP A 56 2.771 0.093 3.774 1.00 0.00 H new ATOM 0 HE1 TRP A 56 3.698 1.696 5.580 1.00 0.00 H new ATOM 0 HE3 TRP A 56 7.278 1.139 1.605 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 6.050 3.186 5.983 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 8.821 2.667 2.766 1.00 0.00 H new ATOM 0 HH2 TRP A 56 8.214 3.675 4.927 1.00 0.00 H new ATOM 823 N PHE A 57 1.758 -1.517 1.423 1.00 0.00 N ATOM 824 CA PHE A 57 0.508 -1.945 2.039 1.00 0.00 C ATOM 825 C PHE A 57 0.582 -3.411 2.457 1.00 0.00 C ATOM 826 O PHE A 57 1.212 -4.239 1.801 1.00 0.00 O ATOM 827 CB PHE A 57 -0.659 -1.738 1.071 1.00 0.00 C ATOM 828 CG PHE A 57 -0.690 -2.734 -0.053 1.00 0.00 C ATOM 829 CD1 PHE A 57 -1.004 -4.062 0.189 1.00 0.00 C ATOM 830 CD2 PHE A 57 -0.404 -2.343 -1.351 1.00 0.00 C ATOM 831 CE1 PHE A 57 -1.033 -4.981 -0.843 1.00 0.00 C ATOM 832 CE2 PHE A 57 -0.433 -3.257 -2.387 1.00 0.00 C ATOM 833 CZ PHE A 57 -0.746 -4.578 -2.132 1.00 0.00 C ATOM 0 H PHE A 57 2.370 -2.281 1.136 1.00 0.00 H new ATOM 0 HA PHE A 57 0.345 -1.339 2.930 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -1.596 -1.799 1.625 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -0.600 -0.733 0.654 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -1.229 -4.382 1.196 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -0.156 -1.312 -1.555 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -1.280 -6.013 -0.641 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -0.211 -2.939 -3.395 1.00 0.00 H new ATOM 0 HZ PHE A 57 -0.766 -5.295 -2.940 1.00 0.00 H new ATOM 843 N PRO A 58 -0.078 -3.739 3.578 1.00 0.00 N ATOM 844 CA PRO A 58 -0.102 -5.105 4.111 1.00 0.00 C ATOM 845 C PRO A 58 -0.916 -6.053 3.237 1.00 0.00 C ATOM 846 O PRO A 58 -2.011 -5.714 2.789 1.00 0.00 O ATOM 847 CB PRO A 58 -0.764 -4.939 5.481 1.00 0.00 C ATOM 848 CG PRO A 58 -1.594 -3.708 5.355 1.00 0.00 C ATOM 849 CD PRO A 58 -0.851 -2.803 4.412 1.00 0.00 C ATOM 0 HA PRO A 58 0.895 -5.544 4.155 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -1.376 -5.805 5.732 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -0.019 -4.835 6.270 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -2.586 -3.944 4.969 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -1.734 -3.231 6.325 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -1.533 -2.200 3.813 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -0.201 -2.111 4.948 1.00 0.00 H new ATOM 857 N ALA A 59 -0.375 -7.243 3.000 1.00 0.00 N ATOM 858 CA ALA A 59 -1.052 -8.242 2.182 1.00 0.00 C ATOM 859 C ALA A 59 -2.061 -9.034 3.007 1.00 0.00 C ATOM 860 O ALA A 59 -2.816 -9.844 2.470 1.00 0.00 O ATOM 861 CB ALA A 59 -0.037 -9.178 1.544 1.00 0.00 C ATOM 0 H ALA A 59 0.531 -7.539 3.363 1.00 0.00 H new ATOM 0 HA ALA A 59 -1.596 -7.722 1.393 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -0.557 -9.919 0.936 1.00 0.00 H new ATOM 0 HB2 ALA A 59 0.642 -8.603 0.914 1.00 0.00 H new ATOM 0 HB3 ALA A 59 0.532 -9.684 2.324 1.00 0.00 H new ATOM 867 N SER A 60 -2.068 -8.795 4.314 1.00 0.00 N ATOM 868 CA SER A 60 -2.981 -9.490 5.213 1.00 0.00 C ATOM 869 C SER A 60 -4.300 -8.733 5.340 1.00 0.00 C ATOM 870 O SER A 60 -5.285 -9.261 5.856 1.00 0.00 O ATOM 871 CB SER A 60 -2.342 -9.659 6.593 1.00 0.00 C ATOM 872 OG SER A 60 -2.174 -8.406 7.234 1.00 0.00 O ATOM 0 H SER A 60 -1.452 -8.125 4.774 1.00 0.00 H new ATOM 0 HA SER A 60 -3.186 -10.474 4.792 1.00 0.00 H new ATOM 0 HB2 SER A 60 -2.966 -10.306 7.210 1.00 0.00 H new ATOM 0 HB3 SER A 60 -1.375 -10.152 6.492 1.00 0.00 H new ATOM 0 HG SER A 60 -1.766 -8.541 8.115 1.00 0.00 H new ATOM 878 N PHE A 61 -4.310 -7.491 4.866 1.00 0.00 N ATOM 879 CA PHE A 61 -5.506 -6.660 4.927 1.00 0.00 C ATOM 880 C PHE A 61 -6.065 -6.409 3.530 1.00 0.00 C ATOM 881 O PHE A 61 -6.790 -5.439 3.303 1.00 0.00 O ATOM 882 CB PHE A 61 -5.192 -5.327 5.610 1.00 0.00 C ATOM 883 CG PHE A 61 -5.379 -5.358 7.100 1.00 0.00 C ATOM 884 CD1 PHE A 61 -4.869 -6.404 7.853 1.00 0.00 C ATOM 885 CD2 PHE A 61 -6.064 -4.343 7.747 1.00 0.00 C ATOM 886 CE1 PHE A 61 -5.040 -6.435 9.224 1.00 0.00 C ATOM 887 CE2 PHE A 61 -6.238 -4.369 9.118 1.00 0.00 C ATOM 888 CZ PHE A 61 -5.724 -5.416 9.858 1.00 0.00 C ATOM 0 H PHE A 61 -3.503 -7.039 4.436 1.00 0.00 H new ATOM 0 HA PHE A 61 -6.258 -7.191 5.510 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -4.162 -5.047 5.387 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -5.832 -4.552 5.188 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -4.332 -7.203 7.363 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -6.467 -3.521 7.173 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -4.639 -7.256 9.800 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -6.775 -3.572 9.610 1.00 0.00 H new ATOM 0 HZ PHE A 61 -5.857 -5.438 10.930 1.00 0.00 H new ATOM 898 N VAL A 62 -5.723 -7.289 2.594 1.00 0.00 N ATOM 899 CA VAL A 62 -6.190 -7.165 1.219 1.00 0.00 C ATOM 900 C VAL A 62 -6.448 -8.534 0.600 1.00 0.00 C ATOM 901 O VAL A 62 -5.779 -9.513 0.933 1.00 0.00 O ATOM 902 CB VAL A 62 -5.174 -6.402 0.348 1.00 0.00 C ATOM 903 CG1 VAL A 62 -4.825 -5.064 0.982 1.00 0.00 C ATOM 904 CG2 VAL A 62 -3.924 -7.241 0.131 1.00 0.00 C ATOM 0 H VAL A 62 -5.123 -8.096 2.764 1.00 0.00 H new ATOM 0 HA VAL A 62 -7.124 -6.603 1.251 1.00 0.00 H new ATOM 0 HB VAL A 62 -5.628 -6.208 -0.624 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -4.106 -4.540 0.352 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -5.728 -4.462 1.081 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -4.390 -5.231 1.968 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -3.217 -6.687 -0.486 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -3.466 -7.467 1.094 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -4.192 -8.171 -0.370 1.00 0.00 H new ATOM 914 N ARG A 63 -7.421 -8.595 -0.303 1.00 0.00 N ATOM 915 CA ARG A 63 -7.767 -9.845 -0.969 1.00 0.00 C ATOM 916 C ARG A 63 -7.420 -9.785 -2.454 1.00 0.00 C ATOM 917 O ARG A 63 -7.733 -8.808 -3.136 1.00 0.00 O ATOM 918 CB ARG A 63 -9.257 -10.145 -0.794 1.00 0.00 C ATOM 919 CG ARG A 63 -9.657 -10.429 0.644 1.00 0.00 C ATOM 920 CD ARG A 63 -10.994 -11.150 0.719 1.00 0.00 C ATOM 921 NE ARG A 63 -12.000 -10.526 -0.135 1.00 0.00 N ATOM 922 CZ ARG A 63 -13.057 -11.170 -0.618 1.00 0.00 C ATOM 923 NH1 ARG A 63 -13.244 -12.451 -0.331 1.00 0.00 N ATOM 924 NH2 ARG A 63 -13.930 -10.533 -1.388 1.00 0.00 N ATOM 0 H ARG A 63 -7.983 -7.794 -0.590 1.00 0.00 H new ATOM 0 HA ARG A 63 -7.186 -10.645 -0.510 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -9.835 -9.297 -1.162 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -9.521 -11.003 -1.412 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -8.888 -11.035 1.124 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -9.716 -9.492 1.198 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -10.862 -12.191 0.423 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -11.346 -11.154 1.751 1.00 0.00 H new ATOM 0 HE ARG A 63 -11.885 -9.541 -0.374 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -12.576 -12.944 0.262 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -14.056 -12.944 -0.703 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -13.790 -9.547 -1.610 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -14.741 -11.029 -1.758 1.00 0.00 H new ATOM 938 N LEU A 64 -6.772 -10.834 -2.948 1.00 0.00 N ATOM 939 CA LEU A 64 -6.382 -10.900 -4.352 1.00 0.00 C ATOM 940 C LEU A 64 -7.609 -10.936 -5.257 1.00 0.00 C ATOM 941 O LEU A 64 -8.690 -11.348 -4.837 1.00 0.00 O ATOM 942 CB LEU A 64 -5.514 -12.135 -4.602 1.00 0.00 C ATOM 943 CG LEU A 64 -4.032 -11.995 -4.253 1.00 0.00 C ATOM 944 CD1 LEU A 64 -3.428 -13.353 -3.931 1.00 0.00 C ATOM 945 CD2 LEU A 64 -3.275 -11.330 -5.394 1.00 0.00 C ATOM 0 H LEU A 64 -6.506 -11.650 -2.397 1.00 0.00 H new ATOM 0 HA LEU A 64 -5.807 -10.004 -4.587 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -5.925 -12.966 -4.028 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -5.595 -12.404 -5.655 1.00 0.00 H new ATOM 0 HG LEU A 64 -3.946 -11.363 -3.369 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -2.373 -13.233 -3.685 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -3.951 -13.792 -3.081 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -3.527 -14.009 -4.796 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -2.222 -11.239 -5.128 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -3.370 -11.935 -6.295 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -3.690 -10.339 -5.577 1.00 0.00 H new ATOM 957 N TRP A 65 -7.433 -10.503 -6.500 1.00 0.00 N ATOM 958 CA TRP A 65 -8.526 -10.487 -7.466 1.00 0.00 C ATOM 959 C TRP A 65 -8.705 -11.859 -8.107 1.00 0.00 C ATOM 960 O TRP A 65 -9.826 -12.353 -8.236 1.00 0.00 O ATOM 961 CB TRP A 65 -8.265 -9.436 -8.545 1.00 0.00 C ATOM 962 CG TRP A 65 -8.818 -8.085 -8.205 1.00 0.00 C ATOM 963 CD1 TRP A 65 -9.175 -7.634 -6.967 1.00 0.00 C ATOM 964 CD2 TRP A 65 -9.080 -7.012 -9.116 1.00 0.00 C ATOM 965 NE1 TRP A 65 -9.643 -6.344 -7.053 1.00 0.00 N ATOM 966 CE2 TRP A 65 -9.593 -5.940 -8.360 1.00 0.00 C ATOM 967 CE3 TRP A 65 -8.928 -6.851 -10.496 1.00 0.00 C ATOM 968 CZ2 TRP A 65 -9.956 -4.727 -8.940 1.00 0.00 C ATOM 969 CZ3 TRP A 65 -9.288 -5.647 -11.070 1.00 0.00 C ATOM 970 CH2 TRP A 65 -9.797 -4.598 -10.293 1.00 0.00 C ATOM 0 H TRP A 65 -6.544 -10.158 -6.863 1.00 0.00 H new ATOM 0 HA TRP A 65 -9.443 -10.232 -6.936 1.00 0.00 H new ATOM 0 HB2 TRP A 65 -7.190 -9.351 -8.706 1.00 0.00 H new ATOM 0 HB3 TRP A 65 -8.703 -9.774 -9.484 1.00 0.00 H new ATOM 0 HD1 TRP A 65 -9.101 -8.206 -6.054 1.00 0.00 H new ATOM 0 HE1 TRP A 65 -9.974 -5.780 -6.270 1.00 0.00 H new ATOM 0 HE3 TRP A 65 -8.536 -7.654 -11.103 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 -10.349 -3.917 -8.343 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 -9.175 -5.512 -12.136 1.00 0.00 H new ATOM 0 HH2 TRP A 65 -10.069 -3.669 -10.772 1.00 0.00 H new