USER MOD reduce.3.24.130724 H: found=0, std=0, add=482, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 483 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 ASN : amide:sc= 0.0942 X(o=0.094,f=-0.0013) USER MOD Single : A 13 THR OG1 : rot 180:sc= -0.0803 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 156:sc= -0.0222 (180deg=-0.0969) USER MOD Single : A 19 GLN : amide:sc= -1.22 K(o=-1.2,f=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ -135:sc=-0.00687 (180deg=-0.136) USER MOD Single : A 32 SER OG : rot 180:sc= 0.0315 USER MOD Single : A 33 ASN : amide:sc= -1.9! C(o=-1.9!,f=-9.8!) USER MOD Single : A 35 SER OG : rot 180:sc= 0.292 USER MOD Single : A 38 GLN : amide:sc= -0.019 X(o=-0.019,f=0) USER MOD Single : A 40 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 MET CE :methyl -107:sc= -1.9 (180deg=-3.77!) USER MOD Single : A 45 ASN : amide:sc= -0.0817 X(o=-0.082,f=0) USER MOD Single : A 49 TYR OH : rot -10:sc= 0.311! USER MOD Single : A 50 SER OG : rot 180:sc= -0.0181 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ -119:sc= 0.665 (180deg=-0.759!) USER MOD Single : A 59 LYS NZ :NH3+ -129:sc= -0.0341 (180deg=-0.448) USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=-0.0057) USER MOD Single : A 63 ASN : amide:sc= -1.68! C(o=-1.7!,f=-2.2!) USER MOD Single : A 65 TYR OH : rot -152:sc= 0.848 USER MOD Single : A 66 LYS NZ :NH3+ 153:sc= 1.21 (180deg=0.473) USER MOD ----------------------------------------------------------------- ATOM 137 N TRP A 11 13.406 0.493 -1.693 1.00 0.00 N ATOM 138 CA TRP A 11 12.975 1.884 -2.024 1.00 0.00 C ATOM 139 C TRP A 11 14.024 2.894 -1.541 1.00 0.00 C ATOM 140 O TRP A 11 14.546 2.788 -0.450 1.00 0.00 O ATOM 141 CB TRP A 11 11.657 2.078 -1.271 1.00 0.00 C ATOM 142 CG TRP A 11 10.553 1.405 -2.017 1.00 0.00 C ATOM 143 CD1 TRP A 11 9.829 1.973 -3.007 1.00 0.00 C ATOM 144 CD2 TRP A 11 10.033 0.054 -1.855 1.00 0.00 C ATOM 145 NE1 TRP A 11 8.897 1.057 -3.461 1.00 0.00 N ATOM 146 CE2 TRP A 11 8.986 -0.141 -2.784 1.00 0.00 C ATOM 147 CE3 TRP A 11 10.365 -1.012 -1.001 1.00 0.00 C ATOM 148 CZ2 TRP A 11 8.293 -1.348 -2.864 1.00 0.00 C ATOM 149 CZ3 TRP A 11 9.669 -2.228 -1.080 1.00 0.00 C ATOM 150 CH2 TRP A 11 8.637 -2.394 -2.009 1.00 0.00 C ATOM 0 HA TRP A 11 12.859 2.037 -3.097 1.00 0.00 H new ATOM 0 HB2 TRP A 11 11.736 1.664 -0.266 1.00 0.00 H new ATOM 0 HB3 TRP A 11 11.441 3.141 -1.162 1.00 0.00 H new ATOM 0 HD1 TRP A 11 9.957 2.978 -3.382 1.00 0.00 H new ATOM 0 HE1 TRP A 11 8.226 1.245 -4.206 1.00 0.00 H new ATOM 0 HE3 TRP A 11 11.160 -0.895 -0.280 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 7.496 -1.472 -3.582 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 9.932 -3.041 -0.419 1.00 0.00 H new ATOM 0 HH2 TRP A 11 8.106 -3.333 -2.064 1.00 0.00 H new ATOM 161 N ASN A 12 14.337 3.874 -2.349 1.00 0.00 N ATOM 162 CA ASN A 12 15.351 4.889 -1.935 1.00 0.00 C ATOM 163 C ASN A 12 14.672 6.231 -1.647 1.00 0.00 C ATOM 164 O ASN A 12 15.162 7.032 -0.875 1.00 0.00 O ATOM 165 CB ASN A 12 16.302 5.015 -3.126 1.00 0.00 C ATOM 166 CG ASN A 12 17.662 5.527 -2.644 1.00 0.00 C ATOM 167 OD1 ASN A 12 18.681 4.918 -2.905 1.00 0.00 O ATOM 168 ND2 ASN A 12 17.722 6.628 -1.946 1.00 0.00 N ATOM 0 H ASN A 12 13.935 4.015 -3.276 1.00 0.00 H new ATOM 0 HA ASN A 12 15.876 4.597 -1.025 1.00 0.00 H new ATOM 0 HB2 ASN A 12 16.419 4.048 -3.615 1.00 0.00 H new ATOM 0 HB3 ASN A 12 15.886 5.699 -3.866 1.00 0.00 H new ATOM 0 HD21 ASN A 12 18.623 6.977 -1.620 1.00 0.00 H new ATOM 0 HD22 ASN A 12 16.867 7.140 -1.726 1.00 0.00 H new ATOM 175 N THR A 13 13.549 6.485 -2.262 1.00 0.00 N ATOM 176 CA THR A 13 12.841 7.776 -2.022 1.00 0.00 C ATOM 177 C THR A 13 11.464 7.520 -1.404 1.00 0.00 C ATOM 178 O THR A 13 10.844 6.503 -1.647 1.00 0.00 O ATOM 179 CB THR A 13 12.693 8.413 -3.404 1.00 0.00 C ATOM 180 OG1 THR A 13 11.666 7.747 -4.122 1.00 0.00 O ATOM 181 CG2 THR A 13 14.012 8.296 -4.170 1.00 0.00 C ATOM 0 H THR A 13 13.091 5.855 -2.920 1.00 0.00 H new ATOM 0 HA THR A 13 13.386 8.419 -1.331 1.00 0.00 H new ATOM 0 HB THR A 13 12.436 9.466 -3.292 1.00 0.00 H new ATOM 0 HG1 THR A 13 11.568 8.155 -5.008 1.00 0.00 H new ATOM 0 HG21 THR A 13 13.903 8.751 -5.154 1.00 0.00 H new ATOM 0 HG22 THR A 13 14.800 8.809 -3.619 1.00 0.00 H new ATOM 0 HG23 THR A 13 14.275 7.244 -4.284 1.00 0.00 H new ATOM 189 N LYS A 14 10.976 8.436 -0.613 1.00 0.00 N ATOM 190 CA LYS A 14 9.637 8.243 0.012 1.00 0.00 C ATOM 191 C LYS A 14 8.560 8.166 -1.074 1.00 0.00 C ATOM 192 O LYS A 14 7.580 7.461 -0.941 1.00 0.00 O ATOM 193 CB LYS A 14 9.428 9.476 0.893 1.00 0.00 C ATOM 194 CG LYS A 14 8.411 9.155 1.990 1.00 0.00 C ATOM 195 CD LYS A 14 9.091 8.349 3.099 1.00 0.00 C ATOM 196 CE LYS A 14 8.195 7.176 3.501 1.00 0.00 C ATOM 197 NZ LYS A 14 9.089 6.245 4.244 1.00 0.00 N ATOM 0 H LYS A 14 11.446 9.309 -0.373 1.00 0.00 H new ATOM 0 HA LYS A 14 9.576 7.320 0.588 1.00 0.00 H new ATOM 0 HB2 LYS A 14 10.375 9.782 1.339 1.00 0.00 H new ATOM 0 HB3 LYS A 14 9.075 10.312 0.289 1.00 0.00 H new ATOM 0 HG2 LYS A 14 7.997 10.077 2.398 1.00 0.00 H new ATOM 0 HG3 LYS A 14 7.578 8.589 1.573 1.00 0.00 H new ATOM 0 HD2 LYS A 14 10.058 7.981 2.755 1.00 0.00 H new ATOM 0 HD3 LYS A 14 9.282 8.987 3.962 1.00 0.00 H new ATOM 0 HE2 LYS A 14 7.365 7.509 4.125 1.00 0.00 H new ATOM 0 HE3 LYS A 14 7.761 6.692 2.626 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 8.545 5.414 4.553 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 9.865 5.940 3.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 9.482 6.730 5.076 1.00 0.00 H new ATOM 211 N GLU A 15 8.738 8.884 -2.150 1.00 0.00 N ATOM 212 CA GLU A 15 7.727 8.848 -3.246 1.00 0.00 C ATOM 213 C GLU A 15 7.648 7.438 -3.837 1.00 0.00 C ATOM 214 O GLU A 15 6.583 6.938 -4.140 1.00 0.00 O ATOM 215 CB GLU A 15 8.238 9.845 -4.291 1.00 0.00 C ATOM 216 CG GLU A 15 7.590 9.553 -5.649 1.00 0.00 C ATOM 217 CD GLU A 15 7.519 10.843 -6.470 1.00 0.00 C ATOM 218 OE1 GLU A 15 7.665 11.903 -5.883 1.00 0.00 O ATOM 219 OE2 GLU A 15 7.319 10.748 -7.669 1.00 0.00 O ATOM 0 H GLU A 15 9.539 9.493 -2.318 1.00 0.00 H new ATOM 0 HA GLU A 15 6.726 9.105 -2.898 1.00 0.00 H new ATOM 0 HB2 GLU A 15 8.006 10.863 -3.979 1.00 0.00 H new ATOM 0 HB3 GLU A 15 9.323 9.776 -4.373 1.00 0.00 H new ATOM 0 HG2 GLU A 15 8.168 8.800 -6.185 1.00 0.00 H new ATOM 0 HG3 GLU A 15 6.589 9.145 -5.506 1.00 0.00 H new ATOM 226 N GLU A 16 8.769 6.797 -4.002 1.00 0.00 N ATOM 227 CA GLU A 16 8.763 5.420 -4.574 1.00 0.00 C ATOM 228 C GLU A 16 8.144 4.437 -3.578 1.00 0.00 C ATOM 229 O GLU A 16 7.373 3.573 -3.945 1.00 0.00 O ATOM 230 CB GLU A 16 10.236 5.087 -4.822 1.00 0.00 C ATOM 231 CG GLU A 16 10.676 5.693 -6.155 1.00 0.00 C ATOM 232 CD GLU A 16 10.815 4.583 -7.199 1.00 0.00 C ATOM 233 OE1 GLU A 16 11.492 3.608 -6.912 1.00 0.00 O ATOM 234 OE2 GLU A 16 10.243 4.725 -8.267 1.00 0.00 O ATOM 0 H GLU A 16 9.690 7.165 -3.766 1.00 0.00 H new ATOM 0 HA GLU A 16 8.174 5.353 -5.489 1.00 0.00 H new ATOM 0 HB2 GLU A 16 10.850 5.479 -4.011 1.00 0.00 H new ATOM 0 HB3 GLU A 16 10.379 4.006 -4.836 1.00 0.00 H new ATOM 0 HG2 GLU A 16 9.947 6.432 -6.489 1.00 0.00 H new ATOM 0 HG3 GLU A 16 11.626 6.214 -6.034 1.00 0.00 H new ATOM 241 N ALA A 17 8.470 4.566 -2.324 1.00 0.00 N ATOM 242 CA ALA A 17 7.890 3.641 -1.307 1.00 0.00 C ATOM 243 C ALA A 17 6.370 3.811 -1.263 1.00 0.00 C ATOM 244 O ALA A 17 5.620 2.851 -1.299 1.00 0.00 O ATOM 245 CB ALA A 17 8.517 4.070 0.020 1.00 0.00 C ATOM 0 H ALA A 17 9.111 5.269 -1.957 1.00 0.00 H new ATOM 0 HA ALA A 17 8.092 2.593 -1.530 1.00 0.00 H new ATOM 0 HB1 ALA A 17 8.140 3.436 0.822 1.00 0.00 H new ATOM 0 HB2 ALA A 17 9.601 3.972 -0.041 1.00 0.00 H new ATOM 0 HB3 ALA A 17 8.258 5.108 0.226 1.00 0.00 H new ATOM 251 N LYS A 18 5.908 5.031 -1.205 1.00 0.00 N ATOM 252 CA LYS A 18 4.440 5.273 -1.178 1.00 0.00 C ATOM 253 C LYS A 18 3.824 4.787 -2.487 1.00 0.00 C ATOM 254 O LYS A 18 2.723 4.274 -2.521 1.00 0.00 O ATOM 255 CB LYS A 18 4.293 6.789 -1.050 1.00 0.00 C ATOM 256 CG LYS A 18 3.007 7.117 -0.292 1.00 0.00 C ATOM 257 CD LYS A 18 3.303 8.159 0.789 1.00 0.00 C ATOM 258 CE LYS A 18 3.637 7.449 2.103 1.00 0.00 C ATOM 259 NZ LYS A 18 4.842 8.152 2.626 1.00 0.00 N ATOM 0 H LYS A 18 6.486 5.871 -1.175 1.00 0.00 H new ATOM 0 HA LYS A 18 3.940 4.748 -0.364 1.00 0.00 H new ATOM 0 HB2 LYS A 18 5.153 7.205 -0.525 1.00 0.00 H new ATOM 0 HB3 LYS A 18 4.271 7.247 -2.039 1.00 0.00 H new ATOM 0 HG2 LYS A 18 2.253 7.497 -0.981 1.00 0.00 H new ATOM 0 HG3 LYS A 18 2.599 6.213 0.161 1.00 0.00 H new ATOM 0 HD2 LYS A 18 4.137 8.790 0.482 1.00 0.00 H new ATOM 0 HD3 LYS A 18 2.441 8.813 0.925 1.00 0.00 H new ATOM 0 HE2 LYS A 18 2.807 7.511 2.807 1.00 0.00 H new ATOM 0 HE3 LYS A 18 3.838 6.390 1.940 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 4.896 8.027 3.657 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 5.695 7.754 2.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 4.777 9.166 2.403 1.00 0.00 H new ATOM 273 N GLN A 19 4.536 4.944 -3.568 1.00 0.00 N ATOM 274 CA GLN A 19 4.009 4.489 -4.883 1.00 0.00 C ATOM 275 C GLN A 19 3.845 2.970 -4.877 1.00 0.00 C ATOM 276 O GLN A 19 2.870 2.442 -5.376 1.00 0.00 O ATOM 277 CB GLN A 19 5.066 4.916 -5.902 1.00 0.00 C ATOM 278 CG GLN A 19 4.635 4.482 -7.305 1.00 0.00 C ATOM 279 CD GLN A 19 4.254 5.716 -8.123 1.00 0.00 C ATOM 280 OE1 GLN A 19 5.101 6.344 -8.728 1.00 0.00 O ATOM 281 NE2 GLN A 19 3.007 6.093 -8.169 1.00 0.00 N ATOM 0 H GLN A 19 5.463 5.369 -3.597 1.00 0.00 H new ATOM 0 HA GLN A 19 3.032 4.915 -5.113 1.00 0.00 H new ATOM 0 HB2 GLN A 19 5.200 5.997 -5.870 1.00 0.00 H new ATOM 0 HB3 GLN A 19 6.028 4.468 -5.652 1.00 0.00 H new ATOM 0 HG2 GLN A 19 5.445 3.943 -7.796 1.00 0.00 H new ATOM 0 HG3 GLN A 19 3.789 3.798 -7.242 1.00 0.00 H new ATOM 0 HE21 GLN A 19 2.296 5.566 -7.662 1.00 0.00 H new ATOM 0 HE22 GLN A 19 2.742 6.915 -8.712 1.00 0.00 H new ATOM 290 N ALA A 20 4.780 2.260 -4.308 1.00 0.00 N ATOM 291 CA ALA A 20 4.651 0.779 -4.270 1.00 0.00 C ATOM 292 C ALA A 20 3.494 0.393 -3.353 1.00 0.00 C ATOM 293 O ALA A 20 2.808 -0.576 -3.587 1.00 0.00 O ATOM 294 CB ALA A 20 5.976 0.256 -3.713 1.00 0.00 C ATOM 0 H ALA A 20 5.621 2.639 -3.872 1.00 0.00 H new ATOM 0 HA ALA A 20 4.447 0.359 -5.255 1.00 0.00 H new ATOM 0 HB1 ALA A 20 5.944 -0.832 -3.660 1.00 0.00 H new ATOM 0 HB2 ALA A 20 6.792 0.564 -4.367 1.00 0.00 H new ATOM 0 HB3 ALA A 20 6.137 0.663 -2.715 1.00 0.00 H new ATOM 300 N PHE A 21 3.269 1.146 -2.310 1.00 0.00 N ATOM 301 CA PHE A 21 2.146 0.808 -1.386 1.00 0.00 C ATOM 302 C PHE A 21 0.795 1.076 -2.063 1.00 0.00 C ATOM 303 O PHE A 21 -0.111 0.264 -2.002 1.00 0.00 O ATOM 304 CB PHE A 21 2.326 1.718 -0.172 1.00 0.00 C ATOM 305 CG PHE A 21 1.447 1.217 0.948 1.00 0.00 C ATOM 306 CD1 PHE A 21 0.117 1.643 1.036 1.00 0.00 C ATOM 307 CD2 PHE A 21 1.959 0.316 1.891 1.00 0.00 C ATOM 308 CE1 PHE A 21 -0.701 1.172 2.069 1.00 0.00 C ATOM 309 CE2 PHE A 21 1.139 -0.157 2.923 1.00 0.00 C ATOM 310 CZ PHE A 21 -0.191 0.272 3.012 1.00 0.00 C ATOM 0 H PHE A 21 3.809 1.974 -2.058 1.00 0.00 H new ATOM 0 HA PHE A 21 2.157 -0.245 -1.106 1.00 0.00 H new ATOM 0 HB2 PHE A 21 3.370 1.725 0.142 1.00 0.00 H new ATOM 0 HB3 PHE A 21 2.063 2.744 -0.428 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -0.278 2.335 0.307 1.00 0.00 H new ATOM 0 HD2 PHE A 21 2.985 -0.013 1.822 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -1.727 1.503 2.139 1.00 0.00 H new ATOM 0 HE2 PHE A 21 1.532 -0.852 3.650 1.00 0.00 H new ATOM 0 HZ PHE A 21 -0.823 -0.092 3.808 1.00 0.00 H new ATOM 320 N LYS A 22 0.645 2.191 -2.724 1.00 0.00 N ATOM 321 CA LYS A 22 -0.644 2.461 -3.401 1.00 0.00 C ATOM 322 C LYS A 22 -0.736 1.539 -4.621 1.00 0.00 C ATOM 323 O LYS A 22 -1.752 0.921 -4.875 1.00 0.00 O ATOM 324 CB LYS A 22 -0.589 3.956 -3.764 1.00 0.00 C ATOM 325 CG LYS A 22 -0.781 4.159 -5.263 1.00 0.00 C ATOM 326 CD LYS A 22 -0.844 5.657 -5.573 1.00 0.00 C ATOM 327 CE LYS A 22 0.525 6.140 -6.054 1.00 0.00 C ATOM 328 NZ LYS A 22 0.591 7.571 -5.647 1.00 0.00 N ATOM 0 H LYS A 22 1.355 2.917 -2.821 1.00 0.00 H new ATOM 0 HA LYS A 22 -1.531 2.265 -2.798 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -1.363 4.496 -3.218 1.00 0.00 H new ATOM 0 HB3 LYS A 22 0.369 4.374 -3.456 1.00 0.00 H new ATOM 0 HG2 LYS A 22 0.041 3.698 -5.811 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -1.698 3.670 -5.592 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -1.597 5.849 -6.337 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -1.144 6.210 -4.683 1.00 0.00 H new ATOM 0 HE2 LYS A 22 1.330 5.562 -5.599 1.00 0.00 H new ATOM 0 HE3 LYS A 22 0.625 6.031 -7.134 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 1.503 7.974 -5.943 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -0.183 8.097 -6.100 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 0.499 7.643 -4.614 1.00 0.00 H new ATOM 342 N GLU A 23 0.338 1.412 -5.353 1.00 0.00 N ATOM 343 CA GLU A 23 0.329 0.496 -6.522 1.00 0.00 C ATOM 344 C GLU A 23 0.083 -0.922 -6.008 1.00 0.00 C ATOM 345 O GLU A 23 -0.528 -1.742 -6.663 1.00 0.00 O ATOM 346 CB GLU A 23 1.723 0.623 -7.142 1.00 0.00 C ATOM 347 CG GLU A 23 1.742 -0.074 -8.504 1.00 0.00 C ATOM 348 CD GLU A 23 1.045 0.811 -9.541 1.00 0.00 C ATOM 349 OE1 GLU A 23 1.662 1.764 -9.987 1.00 0.00 O ATOM 350 OE2 GLU A 23 -0.093 0.519 -9.871 1.00 0.00 O ATOM 0 H GLU A 23 1.217 1.903 -5.190 1.00 0.00 H new ATOM 0 HA GLU A 23 -0.443 0.729 -7.256 1.00 0.00 H new ATOM 0 HB2 GLU A 23 1.987 1.674 -7.256 1.00 0.00 H new ATOM 0 HB3 GLU A 23 2.468 0.177 -6.483 1.00 0.00 H new ATOM 0 HG2 GLU A 23 2.770 -0.270 -8.810 1.00 0.00 H new ATOM 0 HG3 GLU A 23 1.240 -1.039 -8.437 1.00 0.00 H new ATOM 357 N LEU A 24 0.536 -1.199 -4.811 1.00 0.00 N ATOM 358 CA LEU A 24 0.313 -2.545 -4.215 1.00 0.00 C ATOM 359 C LEU A 24 -1.192 -2.756 -4.070 1.00 0.00 C ATOM 360 O LEU A 24 -1.730 -3.771 -4.468 1.00 0.00 O ATOM 361 CB LEU A 24 0.999 -2.488 -2.846 1.00 0.00 C ATOM 362 CG LEU A 24 0.712 -3.761 -2.055 1.00 0.00 C ATOM 363 CD1 LEU A 24 0.927 -4.979 -2.952 1.00 0.00 C ATOM 364 CD2 LEU A 24 1.668 -3.832 -0.857 1.00 0.00 C ATOM 0 H LEU A 24 1.052 -0.546 -4.221 1.00 0.00 H new ATOM 0 HA LEU A 24 0.709 -3.364 -4.815 1.00 0.00 H new ATOM 0 HB2 LEU A 24 2.075 -2.367 -2.976 1.00 0.00 H new ATOM 0 HB3 LEU A 24 0.645 -1.619 -2.291 1.00 0.00 H new ATOM 0 HG LEU A 24 -0.320 -3.751 -1.703 1.00 0.00 H new ATOM 0 HD11 LEU A 24 0.722 -5.888 -2.387 1.00 0.00 H new ATOM 0 HD12 LEU A 24 0.254 -4.924 -3.808 1.00 0.00 H new ATOM 0 HD13 LEU A 24 1.959 -4.995 -3.303 1.00 0.00 H new ATOM 0 HD21 LEU A 24 1.469 -4.739 -0.286 1.00 0.00 H new ATOM 0 HD22 LEU A 24 2.698 -3.846 -1.214 1.00 0.00 H new ATOM 0 HD23 LEU A 24 1.517 -2.961 -0.219 1.00 0.00 H new ATOM 376 N LEU A 25 -1.882 -1.785 -3.534 1.00 0.00 N ATOM 377 CA LEU A 25 -3.361 -1.914 -3.402 1.00 0.00 C ATOM 378 C LEU A 25 -3.971 -2.108 -4.792 1.00 0.00 C ATOM 379 O LEU A 25 -4.927 -2.841 -4.973 1.00 0.00 O ATOM 380 CB LEU A 25 -3.823 -0.592 -2.792 1.00 0.00 C ATOM 381 CG LEU A 25 -3.839 -0.710 -1.272 1.00 0.00 C ATOM 382 CD1 LEU A 25 -3.000 0.412 -0.658 1.00 0.00 C ATOM 383 CD2 LEU A 25 -5.279 -0.590 -0.779 1.00 0.00 C ATOM 0 H LEU A 25 -1.487 -0.912 -3.184 1.00 0.00 H new ATOM 0 HA LEU A 25 -3.661 -2.763 -2.787 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -3.156 0.214 -3.098 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -4.818 -0.339 -3.158 1.00 0.00 H new ATOM 0 HG LEU A 25 -3.423 -1.673 -0.977 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -3.014 0.324 0.428 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -1.973 0.335 -1.015 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -3.414 1.377 -0.949 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -5.300 -0.673 0.308 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -5.686 0.376 -1.077 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -5.881 -1.387 -1.216 1.00 0.00 H new ATOM 395 N LYS A 26 -3.409 -1.460 -5.778 1.00 0.00 N ATOM 396 CA LYS A 26 -3.931 -1.607 -7.164 1.00 0.00 C ATOM 397 C LYS A 26 -3.757 -3.056 -7.620 1.00 0.00 C ATOM 398 O LYS A 26 -4.650 -3.654 -8.187 1.00 0.00 O ATOM 399 CB LYS A 26 -3.066 -0.670 -8.007 1.00 0.00 C ATOM 400 CG LYS A 26 -3.895 -0.089 -9.153 1.00 0.00 C ATOM 401 CD LYS A 26 -3.111 1.043 -9.818 1.00 0.00 C ATOM 402 CE LYS A 26 -4.086 2.042 -10.443 1.00 0.00 C ATOM 403 NZ LYS A 26 -3.922 1.868 -11.912 1.00 0.00 N ATOM 0 H LYS A 26 -2.609 -0.834 -5.681 1.00 0.00 H new ATOM 0 HA LYS A 26 -4.990 -1.364 -7.248 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -2.674 0.135 -7.385 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -2.208 -1.212 -8.405 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -4.124 -0.866 -9.882 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -4.847 0.285 -8.776 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -2.482 1.545 -9.083 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -2.448 0.639 -10.583 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -5.111 1.840 -10.133 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -3.856 3.063 -10.138 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -4.559 2.520 -12.412 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -2.938 2.073 -12.178 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -4.154 0.889 -12.174 1.00 0.00 H new ATOM 417 N GLU A 27 -2.612 -3.629 -7.360 1.00 0.00 N ATOM 418 CA GLU A 27 -2.378 -5.046 -7.759 1.00 0.00 C ATOM 419 C GLU A 27 -3.270 -5.960 -6.917 1.00 0.00 C ATOM 420 O GLU A 27 -3.619 -7.053 -7.319 1.00 0.00 O ATOM 421 CB GLU A 27 -0.902 -5.305 -7.455 1.00 0.00 C ATOM 422 CG GLU A 27 -0.040 -4.746 -8.587 1.00 0.00 C ATOM 423 CD GLU A 27 0.195 -5.835 -9.637 1.00 0.00 C ATOM 424 OE1 GLU A 27 -0.551 -6.801 -9.637 1.00 0.00 O ATOM 425 OE2 GLU A 27 1.116 -5.686 -10.422 1.00 0.00 O ATOM 0 H GLU A 27 -1.829 -3.176 -6.888 1.00 0.00 H new ATOM 0 HA GLU A 27 -2.610 -5.235 -8.807 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -0.627 -4.837 -6.510 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -0.725 -6.375 -7.344 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -0.532 -3.887 -9.043 1.00 0.00 H new ATOM 0 HG3 GLU A 27 0.913 -4.395 -8.193 1.00 0.00 H new ATOM 432 N LYS A 28 -3.642 -5.510 -5.751 1.00 0.00 N ATOM 433 CA LYS A 28 -4.516 -6.331 -4.868 1.00 0.00 C ATOM 434 C LYS A 28 -5.981 -6.108 -5.235 1.00 0.00 C ATOM 435 O LYS A 28 -6.869 -6.753 -4.712 1.00 0.00 O ATOM 436 CB LYS A 28 -4.239 -5.819 -3.454 1.00 0.00 C ATOM 437 CG LYS A 28 -3.114 -6.634 -2.814 1.00 0.00 C ATOM 438 CD LYS A 28 -1.790 -6.346 -3.522 1.00 0.00 C ATOM 439 CE LYS A 28 -0.857 -7.550 -3.367 1.00 0.00 C ATOM 440 NZ LYS A 28 -1.303 -8.516 -4.410 1.00 0.00 N ATOM 0 H LYS A 28 -3.376 -4.602 -5.370 1.00 0.00 H new ATOM 0 HA LYS A 28 -4.318 -7.399 -4.962 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -3.962 -4.765 -3.488 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -5.142 -5.892 -2.848 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -3.031 -6.386 -1.756 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -3.344 -7.698 -2.875 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -1.967 -6.143 -4.578 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -1.325 -5.455 -3.099 1.00 0.00 H new ATOM 0 HE2 LYS A 28 0.185 -7.264 -3.513 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -0.932 -7.983 -2.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -1.357 -9.470 -3.999 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -2.241 -8.238 -4.763 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -0.623 -8.516 -5.197 1.00 0.00 H new ATOM 454 N ARG A 29 -6.244 -5.193 -6.125 1.00 0.00 N ATOM 455 CA ARG A 29 -7.653 -4.925 -6.517 1.00 0.00 C ATOM 456 C ARG A 29 -8.453 -4.477 -5.293 1.00 0.00 C ATOM 457 O ARG A 29 -9.645 -4.693 -5.209 1.00 0.00 O ATOM 458 CB ARG A 29 -8.180 -6.262 -7.042 1.00 0.00 C ATOM 459 CG ARG A 29 -8.172 -6.254 -8.573 1.00 0.00 C ATOM 460 CD ARG A 29 -8.103 -7.694 -9.088 1.00 0.00 C ATOM 461 NE ARG A 29 -8.347 -7.592 -10.554 1.00 0.00 N ATOM 462 CZ ARG A 29 -7.577 -6.840 -11.293 1.00 0.00 C ATOM 463 NH1 ARG A 29 -6.320 -6.684 -10.978 1.00 0.00 N ATOM 464 NH2 ARG A 29 -8.064 -6.245 -12.348 1.00 0.00 N ATOM 0 H ARG A 29 -5.544 -4.620 -6.597 1.00 0.00 H new ATOM 0 HA ARG A 29 -7.736 -4.136 -7.264 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -7.562 -7.079 -6.670 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -9.192 -6.435 -6.675 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -9.070 -5.764 -8.950 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -7.319 -5.683 -8.940 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -7.131 -8.141 -8.880 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -8.852 -8.322 -8.606 1.00 0.00 H new ATOM 0 HE ARG A 29 -9.116 -8.110 -10.980 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -5.939 -7.150 -10.154 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -5.719 -6.096 -11.556 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -9.046 -6.368 -12.595 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -7.462 -5.657 -12.925 1.00 0.00 H new ATOM 478 N VAL A 30 -7.811 -3.850 -4.340 1.00 0.00 N ATOM 479 CA VAL A 30 -8.559 -3.395 -3.131 1.00 0.00 C ATOM 480 C VAL A 30 -9.661 -2.420 -3.555 1.00 0.00 C ATOM 481 O VAL A 30 -9.422 -1.523 -4.339 1.00 0.00 O ATOM 482 CB VAL A 30 -7.531 -2.690 -2.237 1.00 0.00 C ATOM 483 CG1 VAL A 30 -8.085 -2.572 -0.817 1.00 0.00 C ATOM 484 CG2 VAL A 30 -6.232 -3.496 -2.193 1.00 0.00 C ATOM 0 H VAL A 30 -6.814 -3.636 -4.346 1.00 0.00 H new ATOM 0 HA VAL A 30 -9.032 -4.223 -2.603 1.00 0.00 H new ATOM 0 HB VAL A 30 -7.331 -1.699 -2.645 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -7.354 -2.071 -0.182 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -9.009 -1.993 -0.834 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -8.288 -3.567 -0.422 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -5.509 -2.987 -1.556 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -6.433 -4.489 -1.791 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -5.826 -3.587 -3.201 1.00 0.00 H new ATOM 494 N PRO A 31 -10.837 -2.635 -3.033 1.00 0.00 N ATOM 495 CA PRO A 31 -11.987 -1.765 -3.376 1.00 0.00 C ATOM 496 C PRO A 31 -11.820 -0.382 -2.743 1.00 0.00 C ATOM 497 O PRO A 31 -10.996 -0.180 -1.873 1.00 0.00 O ATOM 498 CB PRO A 31 -13.185 -2.502 -2.784 1.00 0.00 C ATOM 499 CG PRO A 31 -12.616 -3.337 -1.682 1.00 0.00 C ATOM 500 CD PRO A 31 -11.205 -3.689 -2.081 1.00 0.00 C ATOM 0 HA PRO A 31 -12.091 -1.593 -4.447 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -13.931 -1.803 -2.406 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -13.679 -3.120 -3.534 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -12.625 -2.790 -0.739 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -13.211 -4.238 -1.534 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -10.537 -3.701 -1.220 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -11.153 -4.677 -2.538 1.00 0.00 H new ATOM 508 N SER A 32 -12.593 0.572 -3.181 1.00 0.00 N ATOM 509 CA SER A 32 -12.481 1.946 -2.613 1.00 0.00 C ATOM 510 C SER A 32 -13.073 1.991 -1.201 1.00 0.00 C ATOM 511 O SER A 32 -12.963 2.981 -0.504 1.00 0.00 O ATOM 512 CB SER A 32 -13.286 2.829 -3.567 1.00 0.00 C ATOM 513 OG SER A 32 -13.096 2.374 -4.900 1.00 0.00 O ATOM 0 H SER A 32 -13.299 0.460 -3.909 1.00 0.00 H new ATOM 0 HA SER A 32 -11.446 2.276 -2.526 1.00 0.00 H new ATOM 0 HB2 SER A 32 -14.344 2.796 -3.306 1.00 0.00 H new ATOM 0 HB3 SER A 32 -12.968 3.867 -3.476 1.00 0.00 H new ATOM 0 HG SER A 32 -13.612 2.937 -5.514 1.00 0.00 H new ATOM 519 N ASN A 33 -13.709 0.933 -0.775 1.00 0.00 N ATOM 520 CA ASN A 33 -14.311 0.930 0.591 1.00 0.00 C ATOM 521 C ASN A 33 -13.708 -0.190 1.448 1.00 0.00 C ATOM 522 O ASN A 33 -14.298 -0.621 2.419 1.00 0.00 O ATOM 523 CB ASN A 33 -15.803 0.687 0.365 1.00 0.00 C ATOM 524 CG ASN A 33 -16.014 -0.694 -0.260 1.00 0.00 C ATOM 525 OD1 ASN A 33 -15.069 -1.339 -0.669 1.00 0.00 O ATOM 526 ND2 ASN A 33 -17.224 -1.177 -0.353 1.00 0.00 N ATOM 0 H ASN A 33 -13.838 0.074 -1.310 1.00 0.00 H new ATOM 0 HA ASN A 33 -14.122 1.863 1.121 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -16.339 0.754 1.312 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -16.212 1.458 -0.288 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -17.376 -2.096 -0.769 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -18.017 -0.635 -0.010 1.00 0.00 H new ATOM 533 N ALA A 34 -12.543 -0.667 1.100 1.00 0.00 N ATOM 534 CA ALA A 34 -11.917 -1.759 1.905 1.00 0.00 C ATOM 535 C ALA A 34 -11.471 -1.230 3.268 1.00 0.00 C ATOM 536 O ALA A 34 -11.117 -0.077 3.414 1.00 0.00 O ATOM 537 CB ALA A 34 -10.700 -2.217 1.097 1.00 0.00 C ATOM 0 H ALA A 34 -11.999 -0.351 0.297 1.00 0.00 H new ATOM 0 HA ALA A 34 -12.617 -2.574 2.088 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -10.191 -3.020 1.630 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -11.026 -2.579 0.122 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -10.016 -1.379 0.963 1.00 0.00 H new ATOM 543 N SER A 35 -11.470 -2.069 4.267 1.00 0.00 N ATOM 544 CA SER A 35 -11.025 -1.620 5.615 1.00 0.00 C ATOM 545 C SER A 35 -9.514 -1.803 5.726 1.00 0.00 C ATOM 546 O SER A 35 -8.940 -2.647 5.069 1.00 0.00 O ATOM 547 CB SER A 35 -11.747 -2.533 6.603 1.00 0.00 C ATOM 548 OG SER A 35 -11.118 -3.808 6.608 1.00 0.00 O ATOM 0 H SER A 35 -11.758 -3.046 4.208 1.00 0.00 H new ATOM 0 HA SER A 35 -11.250 -0.571 5.806 1.00 0.00 H new ATOM 0 HB2 SER A 35 -11.723 -2.099 7.602 1.00 0.00 H new ATOM 0 HB3 SER A 35 -12.796 -2.633 6.324 1.00 0.00 H new ATOM 0 HG SER A 35 -11.577 -4.397 7.242 1.00 0.00 H new ATOM 554 N TRP A 36 -8.852 -1.030 6.539 1.00 0.00 N ATOM 555 CA TRP A 36 -7.378 -1.200 6.645 1.00 0.00 C ATOM 556 C TRP A 36 -7.040 -2.675 6.862 1.00 0.00 C ATOM 557 O TRP A 36 -6.027 -3.156 6.410 1.00 0.00 O ATOM 558 CB TRP A 36 -6.934 -0.376 7.852 1.00 0.00 C ATOM 559 CG TRP A 36 -5.500 -0.696 8.130 1.00 0.00 C ATOM 560 CD1 TRP A 36 -4.989 -1.026 9.338 1.00 0.00 C ATOM 561 CD2 TRP A 36 -4.390 -0.737 7.189 1.00 0.00 C ATOM 562 NE1 TRP A 36 -3.632 -1.268 9.196 1.00 0.00 N ATOM 563 CE2 TRP A 36 -3.216 -1.102 7.888 1.00 0.00 C ATOM 564 CE3 TRP A 36 -4.290 -0.495 5.807 1.00 0.00 C ATOM 565 CZ2 TRP A 36 -1.986 -1.224 7.237 1.00 0.00 C ATOM 566 CZ3 TRP A 36 -3.054 -0.615 5.151 1.00 0.00 C ATOM 567 CH2 TRP A 36 -1.906 -0.979 5.866 1.00 0.00 C ATOM 0 H TRP A 36 -9.258 -0.301 7.125 1.00 0.00 H new ATOM 0 HA TRP A 36 -6.873 -0.872 5.737 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -7.055 0.689 7.651 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -7.551 -0.609 8.720 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -5.546 -1.090 10.261 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -3.015 -1.536 9.963 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -5.170 -0.215 5.247 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -1.103 -1.506 7.791 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -2.988 -0.426 4.090 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -0.958 -1.070 5.356 1.00 0.00 H new ATOM 578 N GLU A 37 -7.879 -3.399 7.554 1.00 0.00 N ATOM 579 CA GLU A 37 -7.587 -4.845 7.792 1.00 0.00 C ATOM 580 C GLU A 37 -7.620 -5.619 6.471 1.00 0.00 C ATOM 581 O GLU A 37 -6.726 -6.384 6.166 1.00 0.00 O ATOM 582 CB GLU A 37 -8.695 -5.328 8.731 1.00 0.00 C ATOM 583 CG GLU A 37 -8.160 -5.376 10.164 1.00 0.00 C ATOM 584 CD GLU A 37 -9.056 -6.275 11.018 1.00 0.00 C ATOM 585 OE1 GLU A 37 -10.257 -6.063 11.009 1.00 0.00 O ATOM 586 OE2 GLU A 37 -8.524 -7.161 11.669 1.00 0.00 O ATOM 0 H GLU A 37 -8.748 -3.056 7.963 1.00 0.00 H new ATOM 0 HA GLU A 37 -6.597 -4.999 8.222 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -9.553 -4.659 8.674 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -9.040 -6.316 8.426 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -7.138 -5.755 10.169 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -8.129 -4.371 10.585 1.00 0.00 H new ATOM 593 N GLN A 38 -8.644 -5.429 5.683 1.00 0.00 N ATOM 594 CA GLN A 38 -8.729 -6.157 4.384 1.00 0.00 C ATOM 595 C GLN A 38 -7.711 -5.592 3.390 1.00 0.00 C ATOM 596 O GLN A 38 -7.022 -6.325 2.705 1.00 0.00 O ATOM 597 CB GLN A 38 -10.156 -5.919 3.889 1.00 0.00 C ATOM 598 CG GLN A 38 -11.121 -6.807 4.678 1.00 0.00 C ATOM 599 CD GLN A 38 -11.700 -7.880 3.754 1.00 0.00 C ATOM 600 OE1 GLN A 38 -11.472 -9.057 3.952 1.00 0.00 O ATOM 601 NE2 GLN A 38 -12.445 -7.521 2.745 1.00 0.00 N ATOM 0 H GLN A 38 -9.424 -4.802 5.882 1.00 0.00 H new ATOM 0 HA GLN A 38 -8.507 -7.219 4.491 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -10.426 -4.870 4.013 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -10.226 -6.143 2.825 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -10.601 -7.274 5.514 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -11.925 -6.203 5.100 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -12.637 -6.533 2.579 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -12.836 -8.228 2.123 1.00 0.00 H new ATOM 610 N ALA A 39 -7.608 -4.295 3.307 1.00 0.00 N ATOM 611 CA ALA A 39 -6.635 -3.682 2.360 1.00 0.00 C ATOM 612 C ALA A 39 -5.200 -3.967 2.813 1.00 0.00 C ATOM 613 O ALA A 39 -4.337 -4.265 2.012 1.00 0.00 O ATOM 614 CB ALA A 39 -6.926 -2.181 2.413 1.00 0.00 C ATOM 0 H ALA A 39 -8.156 -3.632 3.855 1.00 0.00 H new ATOM 0 HA ALA A 39 -6.733 -4.083 1.351 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -6.249 -1.655 1.740 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -7.956 -1.999 2.106 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -6.781 -1.818 3.430 1.00 0.00 H new ATOM 620 N MET A 40 -4.938 -3.875 4.090 1.00 0.00 N ATOM 621 CA MET A 40 -3.555 -4.138 4.588 1.00 0.00 C ATOM 622 C MET A 40 -3.179 -5.601 4.375 1.00 0.00 C ATOM 623 O MET A 40 -2.101 -5.905 3.925 1.00 0.00 O ATOM 624 CB MET A 40 -3.588 -3.825 6.082 1.00 0.00 C ATOM 625 CG MET A 40 -2.243 -4.200 6.708 1.00 0.00 C ATOM 626 SD MET A 40 -2.282 -5.934 7.225 1.00 0.00 S ATOM 627 CE MET A 40 -2.259 -5.639 9.011 1.00 0.00 C ATOM 0 H MET A 40 -5.619 -3.630 4.808 1.00 0.00 H new ATOM 0 HA MET A 40 -2.820 -3.532 4.058 1.00 0.00 H new ATOM 0 HB2 MET A 40 -3.792 -2.766 6.239 1.00 0.00 H new ATOM 0 HB3 MET A 40 -4.393 -4.380 6.564 1.00 0.00 H new ATOM 0 HG2 MET A 40 -1.438 -4.041 5.990 1.00 0.00 H new ATOM 0 HG3 MET A 40 -2.037 -3.558 7.565 1.00 0.00 H new ATOM 0 HE1 MET A 40 -2.278 -6.593 9.538 1.00 0.00 H new ATOM 0 HE2 MET A 40 -1.353 -5.095 9.278 1.00 0.00 H new ATOM 0 HE3 MET A 40 -3.132 -5.051 9.294 1.00 0.00 H new ATOM 637 N LYS A 41 -4.051 -6.510 4.704 1.00 0.00 N ATOM 638 CA LYS A 41 -3.718 -7.952 4.521 1.00 0.00 C ATOM 639 C LYS A 41 -3.487 -8.252 3.037 1.00 0.00 C ATOM 640 O LYS A 41 -2.507 -8.875 2.657 1.00 0.00 O ATOM 641 CB LYS A 41 -4.950 -8.699 5.041 1.00 0.00 C ATOM 642 CG LYS A 41 -4.850 -10.184 4.685 1.00 0.00 C ATOM 643 CD LYS A 41 -6.256 -10.759 4.512 1.00 0.00 C ATOM 644 CE LYS A 41 -6.581 -11.680 5.689 1.00 0.00 C ATOM 645 NZ LYS A 41 -7.732 -12.503 5.226 1.00 0.00 N ATOM 0 H LYS A 41 -4.976 -6.321 5.090 1.00 0.00 H new ATOM 0 HA LYS A 41 -2.809 -8.246 5.046 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -5.028 -8.580 6.122 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -5.854 -8.272 4.607 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -4.277 -10.312 3.766 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -4.319 -10.723 5.470 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -6.986 -9.951 4.457 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -6.321 -11.312 3.575 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -5.727 -12.306 5.948 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -6.838 -11.107 6.580 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -8.014 -13.161 5.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -8.532 -11.881 4.993 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -7.455 -13.043 4.381 1.00 0.00 H new ATOM 659 N MET A 42 -4.379 -7.805 2.195 1.00 0.00 N ATOM 660 CA MET A 42 -4.222 -8.054 0.735 1.00 0.00 C ATOM 661 C MET A 42 -2.892 -7.485 0.237 1.00 0.00 C ATOM 662 O MET A 42 -2.288 -8.009 -0.677 1.00 0.00 O ATOM 663 CB MET A 42 -5.389 -7.311 0.079 1.00 0.00 C ATOM 664 CG MET A 42 -6.697 -8.054 0.354 1.00 0.00 C ATOM 665 SD MET A 42 -8.082 -7.097 -0.309 1.00 0.00 S ATOM 666 CE MET A 42 -7.651 -7.257 -2.059 1.00 0.00 C ATOM 0 H MET A 42 -5.211 -7.277 2.457 1.00 0.00 H new ATOM 0 HA MET A 42 -4.224 -9.118 0.500 1.00 0.00 H new ATOM 0 HB2 MET A 42 -5.449 -6.294 0.468 1.00 0.00 H new ATOM 0 HB3 MET A 42 -5.224 -7.232 -0.996 1.00 0.00 H new ATOM 0 HG2 MET A 42 -6.670 -9.042 -0.105 1.00 0.00 H new ATOM 0 HG3 MET A 42 -6.824 -8.204 1.426 1.00 0.00 H new ATOM 0 HE1 MET A 42 -7.266 -6.306 -2.427 1.00 0.00 H new ATOM 0 HE2 MET A 42 -6.889 -8.027 -2.177 1.00 0.00 H new ATOM 0 HE3 MET A 42 -8.538 -7.535 -2.628 1.00 0.00 H new ATOM 676 N ILE A 43 -2.441 -6.405 0.815 1.00 0.00 N ATOM 677 CA ILE A 43 -1.163 -5.795 0.351 1.00 0.00 C ATOM 678 C ILE A 43 0.029 -6.325 1.157 1.00 0.00 C ATOM 679 O ILE A 43 1.142 -6.366 0.672 1.00 0.00 O ATOM 680 CB ILE A 43 -1.339 -4.293 0.571 1.00 0.00 C ATOM 681 CG1 ILE A 43 -1.377 -3.984 2.067 1.00 0.00 C ATOM 682 CG2 ILE A 43 -2.648 -3.825 -0.064 1.00 0.00 C ATOM 683 CD1 ILE A 43 -1.283 -2.468 2.260 1.00 0.00 C ATOM 0 H ILE A 43 -2.901 -5.920 1.586 1.00 0.00 H new ATOM 0 HA ILE A 43 -0.955 -6.037 -0.691 1.00 0.00 H new ATOM 0 HB ILE A 43 -0.499 -3.773 0.111 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -2.299 -4.364 2.508 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -0.551 -4.481 2.576 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -2.768 -2.754 0.096 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -2.628 -4.032 -1.134 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -3.484 -4.356 0.392 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -1.309 -2.234 3.324 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -0.349 -2.104 1.831 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -2.124 -1.985 1.762 1.00 0.00 H new ATOM 695 N ILE A 44 -0.185 -6.738 2.372 1.00 0.00 N ATOM 696 CA ILE A 44 0.955 -7.260 3.174 1.00 0.00 C ATOM 697 C ILE A 44 1.459 -8.551 2.532 1.00 0.00 C ATOM 698 O ILE A 44 2.647 -8.789 2.438 1.00 0.00 O ATOM 699 CB ILE A 44 0.394 -7.502 4.584 1.00 0.00 C ATOM 700 CG1 ILE A 44 1.504 -7.275 5.613 1.00 0.00 C ATOM 701 CG2 ILE A 44 -0.122 -8.935 4.716 1.00 0.00 C ATOM 702 CD1 ILE A 44 0.887 -7.042 6.993 1.00 0.00 C ATOM 0 H ILE A 44 -1.090 -6.738 2.842 1.00 0.00 H new ATOM 0 HA ILE A 44 1.800 -6.572 3.218 1.00 0.00 H new ATOM 0 HB ILE A 44 -0.430 -6.810 4.758 1.00 0.00 H new ATOM 0 HG12 ILE A 44 2.168 -8.139 5.642 1.00 0.00 H new ATOM 0 HG13 ILE A 44 2.110 -6.416 5.325 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -0.516 -9.089 5.721 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -0.913 -9.105 3.986 1.00 0.00 H new ATOM 0 HG23 ILE A 44 0.695 -9.634 4.535 1.00 0.00 H new ATOM 0 HD11 ILE A 44 1.680 -6.881 7.723 1.00 0.00 H new ATOM 0 HD12 ILE A 44 0.241 -6.165 6.959 1.00 0.00 H new ATOM 0 HD13 ILE A 44 0.300 -7.914 7.281 1.00 0.00 H new ATOM 714 N ASN A 45 0.561 -9.378 2.067 1.00 0.00 N ATOM 715 CA ASN A 45 1.005 -10.636 1.406 1.00 0.00 C ATOM 716 C ASN A 45 2.065 -10.300 0.351 1.00 0.00 C ATOM 717 O ASN A 45 2.867 -11.129 -0.030 1.00 0.00 O ATOM 718 CB ASN A 45 -0.250 -11.209 0.746 1.00 0.00 C ATOM 719 CG ASN A 45 -0.762 -12.396 1.564 1.00 0.00 C ATOM 720 OD1 ASN A 45 -1.878 -12.382 2.044 1.00 0.00 O ATOM 721 ND2 ASN A 45 0.012 -13.431 1.745 1.00 0.00 N ATOM 0 H ASN A 45 -0.448 -9.239 2.116 1.00 0.00 H new ATOM 0 HA ASN A 45 1.446 -11.348 2.104 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -1.021 -10.441 0.678 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -0.025 -11.526 -0.273 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -0.320 -14.227 2.289 1.00 0.00 H new ATOM 0 HD22 ASN A 45 0.949 -13.444 1.342 1.00 0.00 H new ATOM 728 N ASP A 46 2.070 -9.079 -0.115 1.00 0.00 N ATOM 729 CA ASP A 46 3.069 -8.660 -1.141 1.00 0.00 C ATOM 730 C ASP A 46 4.221 -7.901 -0.472 1.00 0.00 C ATOM 731 O ASP A 46 4.015 -7.185 0.490 1.00 0.00 O ATOM 732 CB ASP A 46 2.293 -7.740 -2.082 1.00 0.00 C ATOM 733 CG ASP A 46 3.150 -7.411 -3.306 1.00 0.00 C ATOM 734 OD1 ASP A 46 3.119 -8.183 -4.250 1.00 0.00 O ATOM 735 OD2 ASP A 46 3.823 -6.395 -3.276 1.00 0.00 O ATOM 0 H ASP A 46 1.419 -8.348 0.174 1.00 0.00 H new ATOM 0 HA ASP A 46 3.511 -9.506 -1.668 1.00 0.00 H new ATOM 0 HB2 ASP A 46 1.366 -8.221 -2.394 1.00 0.00 H new ATOM 0 HB3 ASP A 46 2.016 -6.822 -1.563 1.00 0.00 H new ATOM 740 N PRO A 47 5.400 -8.081 -1.004 1.00 0.00 N ATOM 741 CA PRO A 47 6.601 -7.407 -0.446 1.00 0.00 C ATOM 742 C PRO A 47 6.474 -5.889 -0.578 1.00 0.00 C ATOM 743 O PRO A 47 7.168 -5.140 0.081 1.00 0.00 O ATOM 744 CB PRO A 47 7.747 -7.953 -1.298 1.00 0.00 C ATOM 745 CG PRO A 47 7.091 -8.390 -2.567 1.00 0.00 C ATOM 746 CD PRO A 47 5.733 -8.904 -2.171 1.00 0.00 C ATOM 0 HA PRO A 47 6.749 -7.597 0.617 1.00 0.00 H new ATOM 0 HB2 PRO A 47 8.503 -7.190 -1.484 1.00 0.00 H new ATOM 0 HB3 PRO A 47 8.249 -8.785 -0.803 1.00 0.00 H new ATOM 0 HG2 PRO A 47 7.006 -7.560 -3.269 1.00 0.00 H new ATOM 0 HG3 PRO A 47 7.674 -9.167 -3.061 1.00 0.00 H new ATOM 0 HD2 PRO A 47 5.005 -8.782 -2.973 1.00 0.00 H new ATOM 0 HD3 PRO A 47 5.759 -9.965 -1.923 1.00 0.00 H new ATOM 754 N ARG A 48 5.587 -5.427 -1.415 1.00 0.00 N ATOM 755 CA ARG A 48 5.412 -3.961 -1.575 1.00 0.00 C ATOM 756 C ARG A 48 4.994 -3.335 -0.245 1.00 0.00 C ATOM 757 O ARG A 48 5.215 -2.166 -0.006 1.00 0.00 O ATOM 758 CB ARG A 48 4.334 -3.811 -2.638 1.00 0.00 C ATOM 759 CG ARG A 48 4.945 -4.159 -3.994 1.00 0.00 C ATOM 760 CD ARG A 48 5.201 -2.879 -4.780 1.00 0.00 C ATOM 761 NE ARG A 48 3.851 -2.457 -5.233 1.00 0.00 N ATOM 762 CZ ARG A 48 3.653 -2.124 -6.480 1.00 0.00 C ATOM 763 NH1 ARG A 48 4.468 -1.298 -7.075 1.00 0.00 N ATOM 764 NH2 ARG A 48 2.638 -2.621 -7.135 1.00 0.00 N ATOM 0 H ARG A 48 4.977 -6.003 -1.994 1.00 0.00 H new ATOM 0 HA ARG A 48 6.329 -3.453 -1.872 1.00 0.00 H new ATOM 0 HB2 ARG A 48 3.493 -4.469 -2.421 1.00 0.00 H new ATOM 0 HB3 ARG A 48 3.948 -2.792 -2.646 1.00 0.00 H new ATOM 0 HG2 ARG A 48 5.878 -4.706 -3.855 1.00 0.00 H new ATOM 0 HG3 ARG A 48 4.273 -4.812 -4.551 1.00 0.00 H new ATOM 0 HD2 ARG A 48 5.670 -2.116 -4.158 1.00 0.00 H new ATOM 0 HD3 ARG A 48 5.868 -3.056 -5.624 1.00 0.00 H new ATOM 0 HE ARG A 48 3.077 -2.427 -4.569 1.00 0.00 H new ATOM 0 HH11 ARG A 48 5.263 -0.910 -6.566 1.00 0.00 H new ATOM 0 HH12 ARG A 48 4.311 -1.040 -8.049 1.00 0.00 H new ATOM 0 HH21 ARG A 48 2.000 -3.269 -6.672 1.00 0.00 H new ATOM 0 HH22 ARG A 48 2.483 -2.361 -8.109 1.00 0.00 H new ATOM 778 N TYR A 49 4.402 -4.105 0.630 1.00 0.00 N ATOM 779 CA TYR A 49 3.994 -3.539 1.948 1.00 0.00 C ATOM 780 C TYR A 49 5.234 -3.004 2.669 1.00 0.00 C ATOM 781 O TYR A 49 5.177 -2.036 3.409 1.00 0.00 O ATOM 782 CB TYR A 49 3.378 -4.715 2.711 1.00 0.00 C ATOM 783 CG TYR A 49 2.590 -4.191 3.884 1.00 0.00 C ATOM 784 CD1 TYR A 49 1.353 -3.582 3.667 1.00 0.00 C ATOM 785 CD2 TYR A 49 3.091 -4.318 5.184 1.00 0.00 C ATOM 786 CE1 TYR A 49 0.612 -3.100 4.744 1.00 0.00 C ATOM 787 CE2 TYR A 49 2.348 -3.836 6.265 1.00 0.00 C ATOM 788 CZ TYR A 49 1.108 -3.227 6.046 1.00 0.00 C ATOM 789 OH TYR A 49 0.379 -2.755 7.114 1.00 0.00 O ATOM 0 H TYR A 49 4.185 -5.092 0.491 1.00 0.00 H new ATOM 0 HA TYR A 49 3.289 -2.713 1.860 1.00 0.00 H new ATOM 0 HB2 TYR A 49 2.730 -5.292 2.051 1.00 0.00 H new ATOM 0 HB3 TYR A 49 4.162 -5.389 3.057 1.00 0.00 H new ATOM 0 HD1 TYR A 49 0.969 -3.484 2.662 1.00 0.00 H new ATOM 0 HD2 TYR A 49 4.049 -4.787 5.352 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -0.345 -2.629 4.574 1.00 0.00 H new ATOM 0 HE2 TYR A 49 2.731 -3.934 7.270 1.00 0.00 H new ATOM 0 HH TYR A 49 -0.378 -2.226 6.785 1.00 0.00 H new ATOM 799 N SER A 50 6.366 -3.608 2.432 1.00 0.00 N ATOM 800 CA SER A 50 7.611 -3.124 3.085 1.00 0.00 C ATOM 801 C SER A 50 8.008 -1.781 2.473 1.00 0.00 C ATOM 802 O SER A 50 8.909 -1.113 2.940 1.00 0.00 O ATOM 803 CB SER A 50 8.663 -4.191 2.785 1.00 0.00 C ATOM 804 OG SER A 50 9.960 -3.640 2.967 1.00 0.00 O ATOM 0 H SER A 50 6.481 -4.413 1.816 1.00 0.00 H new ATOM 0 HA SER A 50 7.496 -2.974 4.158 1.00 0.00 H new ATOM 0 HB2 SER A 50 8.525 -5.049 3.443 1.00 0.00 H new ATOM 0 HB3 SER A 50 8.549 -4.552 1.763 1.00 0.00 H new ATOM 0 HG SER A 50 10.636 -4.324 2.776 1.00 0.00 H new ATOM 810 N ALA A 51 7.315 -1.366 1.445 1.00 0.00 N ATOM 811 CA ALA A 51 7.623 -0.053 0.824 1.00 0.00 C ATOM 812 C ALA A 51 7.393 1.038 1.869 1.00 0.00 C ATOM 813 O ALA A 51 7.954 2.114 1.799 1.00 0.00 O ATOM 814 CB ALA A 51 6.629 0.089 -0.329 1.00 0.00 C ATOM 0 H ALA A 51 6.550 -1.883 1.012 1.00 0.00 H new ATOM 0 HA ALA A 51 8.651 0.026 0.469 1.00 0.00 H new ATOM 0 HB1 ALA A 51 6.795 1.039 -0.838 1.00 0.00 H new ATOM 0 HB2 ALA A 51 6.770 -0.730 -1.034 1.00 0.00 H new ATOM 0 HB3 ALA A 51 5.612 0.060 0.062 1.00 0.00 H new ATOM 820 N LEU A 52 6.575 0.755 2.851 1.00 0.00 N ATOM 821 CA LEU A 52 6.313 1.766 3.917 1.00 0.00 C ATOM 822 C LEU A 52 6.634 1.166 5.287 1.00 0.00 C ATOM 823 O LEU A 52 6.047 0.186 5.703 1.00 0.00 O ATOM 824 CB LEU A 52 4.826 2.103 3.805 1.00 0.00 C ATOM 825 CG LEU A 52 4.578 2.944 2.550 1.00 0.00 C ATOM 826 CD1 LEU A 52 3.180 3.555 2.623 1.00 0.00 C ATOM 827 CD2 LEU A 52 5.614 4.068 2.464 1.00 0.00 C ATOM 0 H LEU A 52 6.079 -0.130 2.960 1.00 0.00 H new ATOM 0 HA LEU A 52 6.930 2.658 3.804 1.00 0.00 H new ATOM 0 HB2 LEU A 52 4.238 1.186 3.761 1.00 0.00 H new ATOM 0 HB3 LEU A 52 4.500 2.649 4.690 1.00 0.00 H new ATOM 0 HG LEU A 52 4.661 2.309 1.668 1.00 0.00 H new ATOM 0 HD11 LEU A 52 2.998 4.155 1.731 1.00 0.00 H new ATOM 0 HD12 LEU A 52 2.438 2.759 2.682 1.00 0.00 H new ATOM 0 HD13 LEU A 52 3.105 4.188 3.508 1.00 0.00 H new ATOM 0 HD21 LEU A 52 5.432 4.663 1.569 1.00 0.00 H new ATOM 0 HD22 LEU A 52 5.534 4.705 3.345 1.00 0.00 H new ATOM 0 HD23 LEU A 52 6.614 3.638 2.417 1.00 0.00 H new ATOM 839 N ALA A 53 7.573 1.743 5.983 1.00 0.00 N ATOM 840 CA ALA A 53 7.952 1.207 7.323 1.00 0.00 C ATOM 841 C ALA A 53 6.933 1.625 8.387 1.00 0.00 C ATOM 842 O ALA A 53 6.658 0.891 9.315 1.00 0.00 O ATOM 843 CB ALA A 53 9.318 1.825 7.622 1.00 0.00 C ATOM 0 H ALA A 53 8.097 2.565 5.682 1.00 0.00 H new ATOM 0 HA ALA A 53 7.979 0.117 7.331 1.00 0.00 H new ATOM 0 HB1 ALA A 53 9.669 1.480 8.595 1.00 0.00 H new ATOM 0 HB2 ALA A 53 10.029 1.525 6.852 1.00 0.00 H new ATOM 0 HB3 ALA A 53 9.231 2.911 7.633 1.00 0.00 H new ATOM 849 N LYS A 54 6.382 2.802 8.271 1.00 0.00 N ATOM 850 CA LYS A 54 5.395 3.265 9.291 1.00 0.00 C ATOM 851 C LYS A 54 3.965 2.915 8.866 1.00 0.00 C ATOM 852 O LYS A 54 3.586 3.066 7.722 1.00 0.00 O ATOM 853 CB LYS A 54 5.578 4.782 9.354 1.00 0.00 C ATOM 854 CG LYS A 54 6.201 5.163 10.697 1.00 0.00 C ATOM 855 CD LYS A 54 6.545 6.654 10.698 1.00 0.00 C ATOM 856 CE LYS A 54 6.305 7.234 12.093 1.00 0.00 C ATOM 857 NZ LYS A 54 5.006 7.956 11.989 1.00 0.00 N ATOM 0 H LYS A 54 6.571 3.462 7.517 1.00 0.00 H new ATOM 0 HA LYS A 54 5.555 2.788 10.258 1.00 0.00 H new ATOM 0 HB2 LYS A 54 6.217 5.117 8.536 1.00 0.00 H new ATOM 0 HB3 LYS A 54 4.616 5.281 9.232 1.00 0.00 H new ATOM 0 HG2 LYS A 54 5.508 4.939 11.508 1.00 0.00 H new ATOM 0 HG3 LYS A 54 7.100 4.572 10.873 1.00 0.00 H new ATOM 0 HD2 LYS A 54 7.586 6.798 10.407 1.00 0.00 H new ATOM 0 HD3 LYS A 54 5.934 7.179 9.964 1.00 0.00 H new ATOM 0 HE2 LYS A 54 6.261 6.447 12.846 1.00 0.00 H new ATOM 0 HE3 LYS A 54 7.110 7.909 12.384 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 4.771 8.383 12.908 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 5.081 8.703 11.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 4.258 7.287 11.717 1.00 0.00 H new ATOM 871 N LEU A 55 3.164 2.455 9.783 1.00 0.00 N ATOM 872 CA LEU A 55 1.761 2.111 9.428 1.00 0.00 C ATOM 873 C LEU A 55 0.971 3.391 9.146 1.00 0.00 C ATOM 874 O LEU A 55 0.063 3.405 8.340 1.00 0.00 O ATOM 875 CB LEU A 55 1.200 1.379 10.643 1.00 0.00 C ATOM 876 CG LEU A 55 0.667 0.015 10.202 1.00 0.00 C ATOM 877 CD1 LEU A 55 -0.526 0.212 9.267 1.00 0.00 C ATOM 878 CD2 LEU A 55 1.770 -0.748 9.461 1.00 0.00 C ATOM 0 H LEU A 55 3.418 2.303 10.759 1.00 0.00 H new ATOM 0 HA LEU A 55 1.699 1.493 8.533 1.00 0.00 H new ATOM 0 HB2 LEU A 55 1.976 1.253 11.398 1.00 0.00 H new ATOM 0 HB3 LEU A 55 0.402 1.965 11.100 1.00 0.00 H new ATOM 0 HG LEU A 55 0.354 -0.553 11.078 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -0.906 -0.760 8.952 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -1.312 0.757 9.790 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -0.212 0.780 8.391 1.00 0.00 H new ATOM 0 HD21 LEU A 55 1.391 -1.720 9.146 1.00 0.00 H new ATOM 0 HD22 LEU A 55 2.081 -0.179 8.585 1.00 0.00 H new ATOM 0 HD23 LEU A 55 2.624 -0.888 10.124 1.00 0.00 H new ATOM 890 N SER A 56 1.314 4.470 9.800 1.00 0.00 N ATOM 891 CA SER A 56 0.582 5.745 9.558 1.00 0.00 C ATOM 892 C SER A 56 0.683 6.110 8.076 1.00 0.00 C ATOM 893 O SER A 56 -0.292 6.472 7.447 1.00 0.00 O ATOM 894 CB SER A 56 1.295 6.786 10.419 1.00 0.00 C ATOM 895 OG SER A 56 1.150 6.440 11.791 1.00 0.00 O ATOM 0 H SER A 56 2.066 4.522 10.488 1.00 0.00 H new ATOM 0 HA SER A 56 -0.477 5.678 9.809 1.00 0.00 H new ATOM 0 HB2 SER A 56 2.351 6.833 10.153 1.00 0.00 H new ATOM 0 HB3 SER A 56 0.876 7.775 10.235 1.00 0.00 H new ATOM 0 HG SER A 56 1.608 7.105 12.346 1.00 0.00 H new ATOM 901 N GLU A 57 1.850 5.990 7.507 1.00 0.00 N ATOM 902 CA GLU A 57 2.000 6.300 6.059 1.00 0.00 C ATOM 903 C GLU A 57 1.325 5.192 5.252 1.00 0.00 C ATOM 904 O GLU A 57 0.714 5.436 4.230 1.00 0.00 O ATOM 905 CB GLU A 57 3.509 6.347 5.791 1.00 0.00 C ATOM 906 CG GLU A 57 4.162 5.049 6.261 1.00 0.00 C ATOM 907 CD GLU A 57 5.586 4.963 5.711 1.00 0.00 C ATOM 908 OE1 GLU A 57 6.089 5.980 5.262 1.00 0.00 O ATOM 909 OE2 GLU A 57 6.150 3.882 5.748 1.00 0.00 O ATOM 0 H GLU A 57 2.703 5.692 7.980 1.00 0.00 H new ATOM 0 HA GLU A 57 1.537 7.246 5.776 1.00 0.00 H new ATOM 0 HB2 GLU A 57 3.694 6.492 4.727 1.00 0.00 H new ATOM 0 HB3 GLU A 57 3.953 7.196 6.310 1.00 0.00 H new ATOM 0 HG2 GLU A 57 4.179 5.012 7.350 1.00 0.00 H new ATOM 0 HG3 GLU A 57 3.578 4.193 5.922 1.00 0.00 H new ATOM 916 N LYS A 58 1.411 3.974 5.718 1.00 0.00 N ATOM 917 CA LYS A 58 0.750 2.851 4.994 1.00 0.00 C ATOM 918 C LYS A 58 -0.754 3.121 4.900 1.00 0.00 C ATOM 919 O LYS A 58 -1.368 2.941 3.868 1.00 0.00 O ATOM 920 CB LYS A 58 1.008 1.613 5.853 1.00 0.00 C ATOM 921 CG LYS A 58 2.382 1.027 5.527 1.00 0.00 C ATOM 922 CD LYS A 58 2.485 -0.376 6.128 1.00 0.00 C ATOM 923 CE LYS A 58 3.517 -1.192 5.352 1.00 0.00 C ATOM 924 NZ LYS A 58 4.485 -1.666 6.380 1.00 0.00 N ATOM 0 H LYS A 58 1.910 3.709 6.567 1.00 0.00 H new ATOM 0 HA LYS A 58 1.131 2.728 3.980 1.00 0.00 H new ATOM 0 HB2 LYS A 58 0.957 1.876 6.909 1.00 0.00 H new ATOM 0 HB3 LYS A 58 0.234 0.867 5.673 1.00 0.00 H new ATOM 0 HG2 LYS A 58 2.526 0.985 4.447 1.00 0.00 H new ATOM 0 HG3 LYS A 58 3.168 1.666 5.929 1.00 0.00 H new ATOM 0 HD2 LYS A 58 2.772 -0.313 7.178 1.00 0.00 H new ATOM 0 HD3 LYS A 58 1.514 -0.870 6.092 1.00 0.00 H new ATOM 0 HE2 LYS A 58 3.050 -2.029 4.834 1.00 0.00 H new ATOM 0 HE3 LYS A 58 4.012 -0.585 4.594 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 5.431 -1.292 6.165 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 4.186 -1.332 7.318 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 4.515 -2.706 6.376 1.00 0.00 H new ATOM 938 N LYS A 59 -1.349 3.554 5.981 1.00 0.00 N ATOM 939 CA LYS A 59 -2.813 3.841 5.971 1.00 0.00 C ATOM 940 C LYS A 59 -3.100 5.060 5.092 1.00 0.00 C ATOM 941 O LYS A 59 -4.051 5.082 4.337 1.00 0.00 O ATOM 942 CB LYS A 59 -3.167 4.136 7.429 1.00 0.00 C ATOM 943 CG LYS A 59 -2.947 2.881 8.274 1.00 0.00 C ATOM 944 CD LYS A 59 -4.235 2.537 9.025 1.00 0.00 C ATOM 945 CE LYS A 59 -3.887 1.890 10.367 1.00 0.00 C ATOM 946 NZ LYS A 59 -3.436 3.016 11.232 1.00 0.00 N ATOM 0 H LYS A 59 -0.882 3.721 6.872 1.00 0.00 H new ATOM 0 HA LYS A 59 -3.397 3.013 5.570 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -2.551 4.953 7.805 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -4.205 4.459 7.503 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -2.652 2.048 7.636 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -2.134 3.044 8.981 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -4.826 3.439 9.186 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -4.845 1.858 8.429 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -4.751 1.384 10.797 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -3.103 1.141 10.253 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -2.519 2.778 11.661 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -3.336 3.877 10.657 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -4.137 3.180 11.982 1.00 0.00 H new ATOM 960 N GLN A 60 -2.279 6.070 5.176 1.00 0.00 N ATOM 961 CA GLN A 60 -2.504 7.278 4.334 1.00 0.00 C ATOM 962 C GLN A 60 -2.435 6.884 2.861 1.00 0.00 C ATOM 963 O GLN A 60 -3.214 7.338 2.046 1.00 0.00 O ATOM 964 CB GLN A 60 -1.367 8.234 4.693 1.00 0.00 C ATOM 965 CG GLN A 60 -1.783 9.090 5.891 1.00 0.00 C ATOM 966 CD GLN A 60 -1.496 10.561 5.591 1.00 0.00 C ATOM 967 OE1 GLN A 60 -0.377 10.926 5.291 1.00 0.00 O ATOM 968 NE2 GLN A 60 -2.469 11.430 5.661 1.00 0.00 N ATOM 0 H GLN A 60 -1.465 6.111 5.789 1.00 0.00 H new ATOM 0 HA GLN A 60 -3.478 7.737 4.505 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -0.465 7.671 4.930 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -1.130 8.871 3.841 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -2.844 8.951 6.100 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -1.239 8.777 6.782 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -3.409 11.124 5.913 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -2.289 12.414 5.464 1.00 0.00 H new ATOM 977 N ALA A 61 -1.514 6.025 2.517 1.00 0.00 N ATOM 978 CA ALA A 61 -1.403 5.582 1.100 1.00 0.00 C ATOM 979 C ALA A 61 -2.629 4.745 0.736 1.00 0.00 C ATOM 980 O ALA A 61 -3.190 4.878 -0.334 1.00 0.00 O ATOM 981 CB ALA A 61 -0.131 4.734 1.045 1.00 0.00 C ATOM 0 H ALA A 61 -0.835 5.612 3.156 1.00 0.00 H new ATOM 0 HA ALA A 61 -1.356 6.415 0.398 1.00 0.00 H new ATOM 0 HB1 ALA A 61 0.020 4.370 0.029 1.00 0.00 H new ATOM 0 HB2 ALA A 61 0.724 5.341 1.344 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -0.229 3.887 1.723 1.00 0.00 H new ATOM 987 N PHE A 62 -3.059 3.889 1.625 1.00 0.00 N ATOM 988 CA PHE A 62 -4.258 3.055 1.336 1.00 0.00 C ATOM 989 C PHE A 62 -5.484 3.960 1.200 1.00 0.00 C ATOM 990 O PHE A 62 -6.277 3.822 0.287 1.00 0.00 O ATOM 991 CB PHE A 62 -4.398 2.132 2.547 1.00 0.00 C ATOM 992 CG PHE A 62 -5.760 1.483 2.526 1.00 0.00 C ATOM 993 CD1 PHE A 62 -6.364 1.168 1.304 1.00 0.00 C ATOM 994 CD2 PHE A 62 -6.419 1.200 3.727 1.00 0.00 C ATOM 995 CE1 PHE A 62 -7.625 0.571 1.280 1.00 0.00 C ATOM 996 CE2 PHE A 62 -7.684 0.600 3.706 1.00 0.00 C ATOM 997 CZ PHE A 62 -8.287 0.285 2.481 1.00 0.00 C ATOM 0 H PHE A 62 -2.631 3.733 2.538 1.00 0.00 H new ATOM 0 HA PHE A 62 -4.167 2.489 0.409 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -3.619 1.370 2.529 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -4.267 2.700 3.468 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -5.854 1.387 0.378 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -5.952 1.444 4.670 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -8.090 0.330 0.336 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -8.194 0.380 4.632 1.00 0.00 H new ATOM 0 HZ PHE A 62 -9.262 -0.178 2.463 1.00 0.00 H new ATOM 1007 N ASN A 63 -5.635 4.903 2.091 1.00 0.00 N ATOM 1008 CA ASN A 63 -6.795 5.832 1.999 1.00 0.00 C ATOM 1009 C ASN A 63 -6.699 6.616 0.692 1.00 0.00 C ATOM 1010 O ASN A 63 -7.682 6.855 0.020 1.00 0.00 O ATOM 1011 CB ASN A 63 -6.662 6.764 3.204 1.00 0.00 C ATOM 1012 CG ASN A 63 -6.937 5.980 4.489 1.00 0.00 C ATOM 1013 OD1 ASN A 63 -6.073 5.857 5.334 1.00 0.00 O ATOM 1014 ND2 ASN A 63 -8.111 5.443 4.673 1.00 0.00 N ATOM 0 H ASN A 63 -5.006 5.069 2.877 1.00 0.00 H new ATOM 0 HA ASN A 63 -7.755 5.316 2.005 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -5.661 7.195 3.235 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -7.363 7.594 3.115 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -8.304 4.919 5.527 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -8.836 5.547 3.963 1.00 0.00 H new ATOM 1021 N ALA A 64 -5.507 6.995 0.318 1.00 0.00 N ATOM 1022 CA ALA A 64 -5.327 7.740 -0.959 1.00 0.00 C ATOM 1023 C ALA A 64 -5.621 6.797 -2.125 1.00 0.00 C ATOM 1024 O ALA A 64 -6.154 7.194 -3.143 1.00 0.00 O ATOM 1025 CB ALA A 64 -3.862 8.177 -0.966 1.00 0.00 C ATOM 0 H ALA A 64 -4.650 6.820 0.843 1.00 0.00 H new ATOM 0 HA ALA A 64 -5.993 8.598 -1.052 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -3.653 8.734 -1.879 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -3.668 8.812 -0.102 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -3.220 7.297 -0.922 1.00 0.00 H new ATOM 1031 N TYR A 65 -5.288 5.543 -1.972 1.00 0.00 N ATOM 1032 CA TYR A 65 -5.558 4.559 -3.052 1.00 0.00 C ATOM 1033 C TYR A 65 -7.064 4.492 -3.311 1.00 0.00 C ATOM 1034 O TYR A 65 -7.511 4.468 -4.440 1.00 0.00 O ATOM 1035 CB TYR A 65 -5.043 3.229 -2.495 1.00 0.00 C ATOM 1036 CG TYR A 65 -5.652 2.083 -3.264 1.00 0.00 C ATOM 1037 CD1 TYR A 65 -5.023 1.614 -4.422 1.00 0.00 C ATOM 1038 CD2 TYR A 65 -6.844 1.490 -2.822 1.00 0.00 C ATOM 1039 CE1 TYR A 65 -5.583 0.553 -5.143 1.00 0.00 C ATOM 1040 CE2 TYR A 65 -7.402 0.427 -3.543 1.00 0.00 C ATOM 1041 CZ TYR A 65 -6.772 -0.041 -4.702 1.00 0.00 C ATOM 1042 OH TYR A 65 -7.324 -1.088 -5.412 1.00 0.00 O ATOM 0 H TYR A 65 -4.839 5.159 -1.140 1.00 0.00 H new ATOM 0 HA TYR A 65 -5.079 4.816 -3.997 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -3.956 3.191 -2.567 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -5.296 3.145 -1.438 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -4.105 2.071 -4.760 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -7.330 1.852 -1.928 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -5.099 0.193 -6.039 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -8.319 -0.032 -3.205 1.00 0.00 H new ATOM 0 HH TYR A 65 -8.295 -1.099 -5.277 1.00 0.00 H new ATOM 1052 N LYS A 66 -7.850 4.473 -2.268 1.00 0.00 N ATOM 1053 CA LYS A 66 -9.327 4.421 -2.453 1.00 0.00 C ATOM 1054 C LYS A 66 -9.837 5.762 -2.988 1.00 0.00 C ATOM 1055 O LYS A 66 -10.689 5.814 -3.853 1.00 0.00 O ATOM 1056 CB LYS A 66 -9.893 4.159 -1.058 1.00 0.00 C ATOM 1057 CG LYS A 66 -9.239 2.914 -0.460 1.00 0.00 C ATOM 1058 CD LYS A 66 -10.175 2.308 0.588 1.00 0.00 C ATOM 1059 CE LYS A 66 -10.289 3.260 1.782 1.00 0.00 C ATOM 1060 NZ LYS A 66 -10.995 2.480 2.841 1.00 0.00 N ATOM 0 H LYS A 66 -7.533 4.491 -1.299 1.00 0.00 H new ATOM 0 HA LYS A 66 -9.626 3.654 -3.167 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -9.713 5.020 -0.415 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -10.973 4.023 -1.113 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -9.031 2.186 -1.244 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -8.283 3.174 -0.005 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -11.159 2.132 0.154 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -9.794 1.341 0.916 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -9.305 3.584 2.122 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -10.847 4.158 1.517 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -10.722 2.840 3.778 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -12.023 2.579 2.718 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -10.732 1.476 2.766 1.00 0.00 H new ATOM 1074 N VAL A 67 -9.325 6.849 -2.476 1.00 0.00 N ATOM 1075 CA VAL A 67 -9.784 8.186 -2.953 1.00 0.00 C ATOM 1076 C VAL A 67 -9.378 8.398 -4.413 1.00 0.00 C ATOM 1077 O VAL A 67 -9.963 9.193 -5.121 1.00 0.00 O ATOM 1078 CB VAL A 67 -9.077 9.193 -2.048 1.00 0.00 C ATOM 1079 CG1 VAL A 67 -9.407 10.614 -2.507 1.00 0.00 C ATOM 1080 CG2 VAL A 67 -9.551 9.002 -0.605 1.00 0.00 C ATOM 0 H VAL A 67 -8.610 6.869 -1.749 1.00 0.00 H new ATOM 0 HA VAL A 67 -10.868 8.289 -2.909 1.00 0.00 H new ATOM 0 HB VAL A 67 -8.000 9.035 -2.102 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -8.902 11.332 -1.860 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -9.071 10.752 -3.535 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -10.484 10.773 -2.454 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -9.047 9.720 0.042 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -10.628 9.160 -0.552 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -9.316 7.990 -0.276 1.00 0.00 H new