USER MOD reduce.3.24.130724 H: found=0, std=0, add=482, rem=0, adj=12 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 K(o=0,f=-1.3) USER MOD Single : A 13 THR OG1 : rot -140:sc= -1.59! USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,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+ 145:sc= -0.389 (180deg=-2.81!) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= -1.71! C(o=-1.7!,f=-7.9!) USER MOD Single : A 35 SER OG : rot -179:sc= 0.305 USER MOD Single : A 38 GLN : amide:sc= -0.686 X(o=-0.69,f=-0.2) 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 -143:sc= -1.39 (180deg=-3.27!) USER MOD Single : A 45 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 TYR OH : rot -34:sc= -3.27! USER MOD Single : A 50 SER OG : rot -26:sc= 0.161 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+ -161:sc= -1.49! (180deg=-2.75!) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 GLN : amide:sc= 0 K(o=0,f=-0.64) USER MOD Single : A 63 ASN :FLIP amide:sc=-0.00738 F(o=-1.3,f=-0.0074) USER MOD Single : A 65 TYR OH : rot -141:sc= 0.771 USER MOD Single : A 66 LYS NZ :NH3+ 175:sc= 0.0188 (180deg=0.0154) USER MOD ----------------------------------------------------------------- ATOM 137 N TRP A 11 13.380 0.093 -1.046 1.00 0.00 N ATOM 138 CA TRP A 11 13.002 1.453 -1.526 1.00 0.00 C ATOM 139 C TRP A 11 13.978 2.496 -0.976 1.00 0.00 C ATOM 140 O TRP A 11 14.412 2.416 0.156 1.00 0.00 O ATOM 141 CB TRP A 11 11.598 1.696 -0.971 1.00 0.00 C ATOM 142 CG TRP A 11 10.587 1.007 -1.830 1.00 0.00 C ATOM 143 CD1 TRP A 11 10.004 1.544 -2.928 1.00 0.00 C ATOM 144 CD2 TRP A 11 10.024 -0.329 -1.680 1.00 0.00 C ATOM 145 NE1 TRP A 11 9.120 0.621 -3.460 1.00 0.00 N ATOM 146 CE2 TRP A 11 9.097 -0.548 -2.726 1.00 0.00 C ATOM 147 CE3 TRP A 11 10.226 -1.361 -0.747 1.00 0.00 C ATOM 148 CZ2 TRP A 11 8.394 -1.747 -2.842 1.00 0.00 C ATOM 149 CZ3 TRP A 11 9.522 -2.570 -0.861 1.00 0.00 C ATOM 150 CH2 TRP A 11 8.607 -2.763 -1.906 1.00 0.00 C ATOM 0 HA TRP A 11 13.030 1.528 -2.613 1.00 0.00 H new ATOM 0 HB2 TRP A 11 11.532 1.325 0.052 1.00 0.00 H new ATOM 0 HB3 TRP A 11 11.391 2.766 -0.937 1.00 0.00 H new ATOM 0 HD1 TRP A 11 10.197 2.530 -3.324 1.00 0.00 H new ATOM 0 HE1 TRP A 11 8.554 0.785 -4.293 1.00 0.00 H new ATOM 0 HE3 TRP A 11 10.927 -1.223 0.063 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 7.690 -1.889 -3.649 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 9.686 -3.357 -0.139 1.00 0.00 H new ATOM 0 HH2 TRP A 11 8.068 -3.695 -1.987 1.00 0.00 H new ATOM 161 N ASN A 12 14.326 3.475 -1.765 1.00 0.00 N ATOM 162 CA ASN A 12 15.273 4.521 -1.281 1.00 0.00 C ATOM 163 C ASN A 12 14.550 5.864 -1.138 1.00 0.00 C ATOM 164 O ASN A 12 14.813 6.626 -0.231 1.00 0.00 O ATOM 165 CB ASN A 12 16.358 4.602 -2.355 1.00 0.00 C ATOM 166 CG ASN A 12 17.037 3.238 -2.494 1.00 0.00 C ATOM 167 OD1 ASN A 12 17.057 2.460 -1.562 1.00 0.00 O ATOM 168 ND2 ASN A 12 17.599 2.913 -3.626 1.00 0.00 N ATOM 0 H ASN A 12 13.997 3.597 -2.723 1.00 0.00 H new ATOM 0 HA ASN A 12 15.689 4.282 -0.302 1.00 0.00 H new ATOM 0 HB2 ASN A 12 15.921 4.902 -3.307 1.00 0.00 H new ATOM 0 HB3 ASN A 12 17.093 5.361 -2.089 1.00 0.00 H new ATOM 0 HD21 ASN A 12 18.055 2.006 -3.727 1.00 0.00 H new ATOM 0 HD22 ASN A 12 17.583 3.566 -4.409 1.00 0.00 H new ATOM 175 N THR A 13 13.636 6.156 -2.024 1.00 0.00 N ATOM 176 CA THR A 13 12.893 7.447 -1.932 1.00 0.00 C ATOM 177 C THR A 13 11.476 7.198 -1.410 1.00 0.00 C ATOM 178 O THR A 13 10.910 6.140 -1.605 1.00 0.00 O ATOM 179 CB THR A 13 12.856 7.986 -3.362 1.00 0.00 C ATOM 180 OG1 THR A 13 12.618 6.917 -4.265 1.00 0.00 O ATOM 181 CG2 THR A 13 14.194 8.650 -3.695 1.00 0.00 C ATOM 0 H THR A 13 13.372 5.558 -2.807 1.00 0.00 H new ATOM 0 HA THR A 13 13.365 8.152 -1.247 1.00 0.00 H new ATOM 0 HB THR A 13 12.056 8.721 -3.451 1.00 0.00 H new ATOM 0 HG1 THR A 13 13.171 7.036 -5.065 1.00 0.00 H new ATOM 0 HG21 THR A 13 14.166 9.034 -4.715 1.00 0.00 H new ATOM 0 HG22 THR A 13 14.374 9.472 -3.003 1.00 0.00 H new ATOM 0 HG23 THR A 13 14.996 7.917 -3.605 1.00 0.00 H new ATOM 189 N LYS A 14 10.900 8.161 -0.744 1.00 0.00 N ATOM 190 CA LYS A 14 9.522 7.970 -0.206 1.00 0.00 C ATOM 191 C LYS A 14 8.509 7.858 -1.348 1.00 0.00 C ATOM 192 O LYS A 14 7.530 7.145 -1.251 1.00 0.00 O ATOM 193 CB LYS A 14 9.247 9.215 0.636 1.00 0.00 C ATOM 194 CG LYS A 14 8.345 8.841 1.814 1.00 0.00 C ATOM 195 CD LYS A 14 7.669 10.100 2.361 1.00 0.00 C ATOM 196 CE LYS A 14 7.589 10.010 3.886 1.00 0.00 C ATOM 197 NZ LYS A 14 6.384 10.802 4.257 1.00 0.00 N ATOM 0 H LYS A 14 11.322 9.069 -0.549 1.00 0.00 H new ATOM 0 HA LYS A 14 9.436 7.054 0.379 1.00 0.00 H new ATOM 0 HB2 LYS A 14 10.184 9.636 1.000 1.00 0.00 H new ATOM 0 HB3 LYS A 14 8.769 9.982 0.026 1.00 0.00 H new ATOM 0 HG2 LYS A 14 7.592 8.121 1.494 1.00 0.00 H new ATOM 0 HG3 LYS A 14 8.932 8.362 2.597 1.00 0.00 H new ATOM 0 HD2 LYS A 14 8.232 10.986 2.067 1.00 0.00 H new ATOM 0 HD3 LYS A 14 6.669 10.203 1.938 1.00 0.00 H new ATOM 0 HE2 LYS A 14 7.498 8.975 4.216 1.00 0.00 H new ATOM 0 HE3 LYS A 14 8.487 10.415 4.353 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 6.263 10.787 5.290 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 6.502 11.784 3.937 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 5.544 10.389 3.804 1.00 0.00 H new ATOM 211 N GLU A 15 8.729 8.555 -2.431 1.00 0.00 N ATOM 212 CA GLU A 15 7.765 8.474 -3.566 1.00 0.00 C ATOM 213 C GLU A 15 7.689 7.040 -4.085 1.00 0.00 C ATOM 214 O GLU A 15 6.624 6.490 -4.262 1.00 0.00 O ATOM 215 CB GLU A 15 8.327 9.396 -4.647 1.00 0.00 C ATOM 216 CG GLU A 15 7.601 9.130 -5.969 1.00 0.00 C ATOM 217 CD GLU A 15 6.134 9.547 -5.839 1.00 0.00 C ATOM 218 OE1 GLU A 15 5.856 10.424 -5.039 1.00 0.00 O ATOM 219 OE2 GLU A 15 5.313 8.981 -6.544 1.00 0.00 O ATOM 0 H GLU A 15 9.528 9.172 -2.578 1.00 0.00 H new ATOM 0 HA GLU A 15 6.759 8.768 -3.267 1.00 0.00 H new ATOM 0 HB2 GLU A 15 8.201 10.438 -4.353 1.00 0.00 H new ATOM 0 HB3 GLU A 15 9.397 9.225 -4.766 1.00 0.00 H new ATOM 0 HG2 GLU A 15 8.078 9.686 -6.776 1.00 0.00 H new ATOM 0 HG3 GLU A 15 7.668 8.073 -6.227 1.00 0.00 H new ATOM 226 N GLU A 16 8.815 6.433 -4.325 1.00 0.00 N ATOM 227 CA GLU A 16 8.814 5.032 -4.831 1.00 0.00 C ATOM 228 C GLU A 16 8.202 4.100 -3.788 1.00 0.00 C ATOM 229 O GLU A 16 7.444 3.205 -4.107 1.00 0.00 O ATOM 230 CB GLU A 16 10.286 4.692 -5.063 1.00 0.00 C ATOM 231 CG GLU A 16 10.838 5.567 -6.190 1.00 0.00 C ATOM 232 CD GLU A 16 11.996 4.843 -6.879 1.00 0.00 C ATOM 233 OE1 GLU A 16 12.535 3.927 -6.281 1.00 0.00 O ATOM 234 OE2 GLU A 16 12.323 5.217 -7.994 1.00 0.00 O ATOM 0 H GLU A 16 9.738 6.846 -4.193 1.00 0.00 H new ATOM 0 HA GLU A 16 8.226 4.919 -5.742 1.00 0.00 H new ATOM 0 HB2 GLU A 16 10.857 4.855 -4.149 1.00 0.00 H new ATOM 0 HB3 GLU A 16 10.391 3.638 -5.321 1.00 0.00 H new ATOM 0 HG2 GLU A 16 10.052 5.787 -6.912 1.00 0.00 H new ATOM 0 HG3 GLU A 16 11.179 6.522 -5.790 1.00 0.00 H new ATOM 241 N ALA A 17 8.520 4.307 -2.543 1.00 0.00 N ATOM 242 CA ALA A 17 7.949 3.438 -1.477 1.00 0.00 C ATOM 243 C ALA A 17 6.430 3.614 -1.433 1.00 0.00 C ATOM 244 O ALA A 17 5.682 2.656 -1.406 1.00 0.00 O ATOM 245 CB ALA A 17 8.588 3.929 -0.178 1.00 0.00 C ATOM 0 H ALA A 17 9.150 5.040 -2.216 1.00 0.00 H new ATOM 0 HA ALA A 17 8.148 2.380 -1.646 1.00 0.00 H new ATOM 0 HB1 ALA A 17 8.216 3.336 0.657 1.00 0.00 H new ATOM 0 HB2 ALA A 17 9.671 3.825 -0.243 1.00 0.00 H new ATOM 0 HB3 ALA A 17 8.333 4.977 -0.021 1.00 0.00 H new ATOM 251 N LYS A 18 5.967 4.834 -1.443 1.00 0.00 N ATOM 252 CA LYS A 18 4.498 5.065 -1.419 1.00 0.00 C ATOM 253 C LYS A 18 3.895 4.577 -2.733 1.00 0.00 C ATOM 254 O LYS A 18 2.817 4.018 -2.765 1.00 0.00 O ATOM 255 CB LYS A 18 4.324 6.577 -1.277 1.00 0.00 C ATOM 256 CG LYS A 18 3.031 6.864 -0.509 1.00 0.00 C ATOM 257 CD LYS A 18 2.582 8.301 -0.775 1.00 0.00 C ATOM 258 CE LYS A 18 1.642 8.756 0.344 1.00 0.00 C ATOM 259 NZ LYS A 18 0.280 8.721 -0.261 1.00 0.00 N ATOM 0 H LYS A 18 6.541 5.677 -1.467 1.00 0.00 H new ATOM 0 HA LYS A 18 4.002 4.533 -0.607 1.00 0.00 H new ATOM 0 HB2 LYS A 18 5.177 7.006 -0.750 1.00 0.00 H new ATOM 0 HB3 LYS A 18 4.289 7.045 -2.261 1.00 0.00 H new ATOM 0 HG2 LYS A 18 2.252 6.167 -0.816 1.00 0.00 H new ATOM 0 HG3 LYS A 18 3.190 6.714 0.559 1.00 0.00 H new ATOM 0 HD2 LYS A 18 3.448 8.960 -0.828 1.00 0.00 H new ATOM 0 HD3 LYS A 18 2.075 8.363 -1.738 1.00 0.00 H new ATOM 0 HE2 LYS A 18 1.707 8.095 1.208 1.00 0.00 H new ATOM 0 HE3 LYS A 18 1.895 9.758 0.690 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -0.422 9.021 0.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 0.246 9.365 -1.077 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 0.064 7.753 -0.574 1.00 0.00 H new ATOM 273 N GLN A 19 4.592 4.774 -3.819 1.00 0.00 N ATOM 274 CA GLN A 19 4.068 4.306 -5.131 1.00 0.00 C ATOM 275 C GLN A 19 3.978 2.782 -5.121 1.00 0.00 C ATOM 276 O GLN A 19 3.075 2.202 -5.686 1.00 0.00 O ATOM 277 CB GLN A 19 5.082 4.782 -6.170 1.00 0.00 C ATOM 278 CG GLN A 19 4.368 5.038 -7.498 1.00 0.00 C ATOM 279 CD GLN A 19 5.408 5.227 -8.602 1.00 0.00 C ATOM 280 OE1 GLN A 19 5.810 6.337 -8.892 1.00 0.00 O ATOM 281 NE2 GLN A 19 5.862 4.182 -9.234 1.00 0.00 N ATOM 0 H GLN A 19 5.500 5.238 -3.853 1.00 0.00 H new ATOM 0 HA GLN A 19 3.072 4.693 -5.347 1.00 0.00 H new ATOM 0 HB2 GLN A 19 5.571 5.693 -5.826 1.00 0.00 H new ATOM 0 HB3 GLN A 19 5.862 4.032 -6.303 1.00 0.00 H new ATOM 0 HG2 GLN A 19 3.713 4.201 -7.739 1.00 0.00 H new ATOM 0 HG3 GLN A 19 3.738 5.924 -7.420 1.00 0.00 H new ATOM 0 HE21 GLN A 19 5.524 3.251 -8.989 1.00 0.00 H new ATOM 0 HE22 GLN A 19 6.556 4.295 -9.973 1.00 0.00 H new ATOM 290 N ALA A 20 4.896 2.127 -4.462 1.00 0.00 N ATOM 291 CA ALA A 20 4.831 0.643 -4.399 1.00 0.00 C ATOM 292 C ALA A 20 3.652 0.251 -3.512 1.00 0.00 C ATOM 293 O ALA A 20 2.981 -0.736 -3.744 1.00 0.00 O ATOM 294 CB ALA A 20 6.156 0.196 -3.780 1.00 0.00 C ATOM 0 H ALA A 20 5.681 2.553 -3.969 1.00 0.00 H new ATOM 0 HA ALA A 20 4.688 0.179 -5.375 1.00 0.00 H new ATOM 0 HB1 ALA A 20 6.174 -0.891 -3.705 1.00 0.00 H new ATOM 0 HB2 ALA A 20 6.982 0.530 -4.408 1.00 0.00 H new ATOM 0 HB3 ALA A 20 6.258 0.630 -2.785 1.00 0.00 H new ATOM 300 N PHE A 21 3.380 1.040 -2.506 1.00 0.00 N ATOM 301 CA PHE A 21 2.227 0.738 -1.612 1.00 0.00 C ATOM 302 C PHE A 21 0.920 1.011 -2.362 1.00 0.00 C ATOM 303 O PHE A 21 -0.002 0.221 -2.331 1.00 0.00 O ATOM 304 CB PHE A 21 2.378 1.686 -0.423 1.00 0.00 C ATOM 305 CG PHE A 21 1.486 1.222 0.704 1.00 0.00 C ATOM 306 CD1 PHE A 21 0.126 1.553 0.700 1.00 0.00 C ATOM 307 CD2 PHE A 21 2.018 0.459 1.751 1.00 0.00 C ATOM 308 CE1 PHE A 21 -0.702 1.124 1.744 1.00 0.00 C ATOM 309 CE2 PHE A 21 1.190 0.028 2.795 1.00 0.00 C ATOM 310 CZ PHE A 21 -0.171 0.362 2.791 1.00 0.00 C ATOM 0 H PHE A 21 3.907 1.880 -2.266 1.00 0.00 H new ATOM 0 HA PHE A 21 2.207 -0.303 -1.288 1.00 0.00 H new ATOM 0 HB2 PHE A 21 3.417 1.711 -0.093 1.00 0.00 H new ATOM 0 HB3 PHE A 21 2.113 2.701 -0.717 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -0.285 2.139 -0.109 1.00 0.00 H new ATOM 0 HD2 PHE A 21 3.067 0.203 1.753 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -1.751 1.381 1.742 1.00 0.00 H new ATOM 0 HE2 PHE A 21 1.600 -0.561 3.602 1.00 0.00 H new ATOM 0 HZ PHE A 21 -0.810 0.031 3.596 1.00 0.00 H new ATOM 320 N LYS A 22 0.839 2.117 -3.056 1.00 0.00 N ATOM 321 CA LYS A 22 -0.402 2.415 -3.827 1.00 0.00 C ATOM 322 C LYS A 22 -0.502 1.431 -4.991 1.00 0.00 C ATOM 323 O LYS A 22 -1.524 0.814 -5.214 1.00 0.00 O ATOM 324 CB LYS A 22 -0.234 3.845 -4.337 1.00 0.00 C ATOM 325 CG LYS A 22 -0.642 4.830 -3.241 1.00 0.00 C ATOM 326 CD LYS A 22 -0.181 6.238 -3.624 1.00 0.00 C ATOM 327 CE LYS A 22 -0.944 6.702 -4.866 1.00 0.00 C ATOM 328 NZ LYS A 22 -1.185 8.156 -4.648 1.00 0.00 N ATOM 0 H LYS A 22 1.574 2.821 -3.121 1.00 0.00 H new ATOM 0 HA LYS A 22 -1.308 2.320 -3.229 1.00 0.00 H new ATOM 0 HB2 LYS A 22 0.802 4.019 -4.629 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -0.846 4.000 -5.226 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -1.724 4.814 -3.107 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -0.198 4.537 -2.290 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -0.356 6.927 -2.798 1.00 0.00 H new ATOM 0 HD3 LYS A 22 0.891 6.241 -3.820 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -0.364 6.529 -5.773 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -1.882 6.159 -4.979 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -1.705 8.547 -5.459 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -1.744 8.289 -3.781 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -0.274 8.648 -4.551 1.00 0.00 H new ATOM 342 N GLU A 23 0.571 1.256 -5.716 1.00 0.00 N ATOM 343 CA GLU A 23 0.555 0.286 -6.842 1.00 0.00 C ATOM 344 C GLU A 23 0.208 -1.087 -6.274 1.00 0.00 C ATOM 345 O GLU A 23 -0.475 -1.880 -6.890 1.00 0.00 O ATOM 346 CB GLU A 23 1.980 0.302 -7.407 1.00 0.00 C ATOM 347 CG GLU A 23 2.188 -0.918 -8.308 1.00 0.00 C ATOM 348 CD GLU A 23 3.123 -0.550 -9.461 1.00 0.00 C ATOM 349 OE1 GLU A 23 3.097 0.596 -9.877 1.00 0.00 O ATOM 350 OE2 GLU A 23 3.851 -1.422 -9.908 1.00 0.00 O ATOM 0 H GLU A 23 1.456 1.744 -5.575 1.00 0.00 H new ATOM 0 HA GLU A 23 -0.172 0.527 -7.618 1.00 0.00 H new ATOM 0 HB2 GLU A 23 2.147 1.218 -7.974 1.00 0.00 H new ATOM 0 HB3 GLU A 23 2.705 0.294 -6.593 1.00 0.00 H new ATOM 0 HG2 GLU A 23 2.611 -1.741 -7.732 1.00 0.00 H new ATOM 0 HG3 GLU A 23 1.230 -1.262 -8.699 1.00 0.00 H new ATOM 357 N LEU A 24 0.661 -1.353 -5.077 1.00 0.00 N ATOM 358 CA LEU A 24 0.350 -2.651 -4.423 1.00 0.00 C ATOM 359 C LEU A 24 -1.166 -2.764 -4.226 1.00 0.00 C ATOM 360 O LEU A 24 -1.773 -3.751 -4.589 1.00 0.00 O ATOM 361 CB LEU A 24 1.098 -2.577 -3.090 1.00 0.00 C ATOM 362 CG LEU A 24 0.721 -3.750 -2.192 1.00 0.00 C ATOM 363 CD1 LEU A 24 1.015 -5.054 -2.924 1.00 0.00 C ATOM 364 CD2 LEU A 24 1.557 -3.684 -0.907 1.00 0.00 C ATOM 0 H LEU A 24 1.237 -0.719 -4.523 1.00 0.00 H new ATOM 0 HA LEU A 24 0.650 -3.526 -5.000 1.00 0.00 H new ATOM 0 HB2 LEU A 24 2.173 -2.582 -3.270 1.00 0.00 H new ATOM 0 HB3 LEU A 24 0.863 -1.639 -2.588 1.00 0.00 H new ATOM 0 HG LEU A 24 -0.339 -3.703 -1.942 1.00 0.00 H new ATOM 0 HD11 LEU A 24 0.748 -5.897 -2.287 1.00 0.00 H new ATOM 0 HD12 LEU A 24 0.431 -5.095 -3.844 1.00 0.00 H new ATOM 0 HD13 LEU A 24 2.077 -5.104 -3.166 1.00 0.00 H new ATOM 0 HD21 LEU A 24 1.294 -4.520 -0.258 1.00 0.00 H new ATOM 0 HD22 LEU A 24 2.616 -3.740 -1.159 1.00 0.00 H new ATOM 0 HD23 LEU A 24 1.356 -2.746 -0.390 1.00 0.00 H new ATOM 376 N LEU A 25 -1.791 -1.748 -3.685 1.00 0.00 N ATOM 377 CA LEU A 25 -3.274 -1.802 -3.506 1.00 0.00 C ATOM 378 C LEU A 25 -3.948 -1.944 -4.871 1.00 0.00 C ATOM 379 O LEU A 25 -4.851 -2.742 -5.052 1.00 0.00 O ATOM 380 CB LEU A 25 -3.658 -0.466 -2.864 1.00 0.00 C ATOM 381 CG LEU A 25 -3.655 -0.597 -1.342 1.00 0.00 C ATOM 382 CD1 LEU A 25 -2.878 0.567 -0.729 1.00 0.00 C ATOM 383 CD2 LEU A 25 -5.099 -0.559 -0.838 1.00 0.00 C ATOM 0 H LEU A 25 -1.343 -0.890 -3.362 1.00 0.00 H new ATOM 0 HA LEU A 25 -3.585 -2.647 -2.892 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -2.957 0.310 -3.172 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -4.645 -0.158 -3.209 1.00 0.00 H new ATOM 0 HG LEU A 25 -3.184 -1.537 -1.056 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -2.877 0.472 0.357 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -1.852 0.552 -1.096 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -3.350 1.508 -1.010 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -5.108 -0.652 0.248 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -5.560 0.386 -1.125 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -5.660 -1.384 -1.277 1.00 0.00 H new ATOM 395 N LYS A 26 -3.511 -1.176 -5.835 1.00 0.00 N ATOM 396 CA LYS A 26 -4.114 -1.268 -7.195 1.00 0.00 C ATOM 397 C LYS A 26 -3.920 -2.683 -7.738 1.00 0.00 C ATOM 398 O LYS A 26 -4.831 -3.286 -8.271 1.00 0.00 O ATOM 399 CB LYS A 26 -3.346 -0.249 -8.038 1.00 0.00 C ATOM 400 CG LYS A 26 -4.329 0.574 -8.874 1.00 0.00 C ATOM 401 CD LYS A 26 -3.943 0.482 -10.351 1.00 0.00 C ATOM 402 CE LYS A 26 -3.783 1.890 -10.927 1.00 0.00 C ATOM 403 NZ LYS A 26 -3.613 1.690 -12.393 1.00 0.00 N ATOM 0 H LYS A 26 -2.763 -0.490 -5.738 1.00 0.00 H new ATOM 0 HA LYS A 26 -5.185 -1.063 -7.201 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -2.765 0.408 -7.391 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -2.639 -0.761 -8.690 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -5.344 0.205 -8.729 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -4.318 1.614 -8.548 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -3.012 -0.075 -10.460 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -4.708 -0.064 -10.904 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -4.656 2.506 -10.711 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -2.920 2.397 -10.495 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -3.497 2.613 -12.858 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -2.771 1.106 -12.568 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -4.452 1.211 -12.778 1.00 0.00 H new ATOM 417 N GLU A 27 -2.742 -3.228 -7.587 1.00 0.00 N ATOM 418 CA GLU A 27 -2.497 -4.615 -8.071 1.00 0.00 C ATOM 419 C GLU A 27 -3.359 -5.578 -7.255 1.00 0.00 C ATOM 420 O GLU A 27 -3.787 -6.609 -7.731 1.00 0.00 O ATOM 421 CB GLU A 27 -1.011 -4.870 -7.821 1.00 0.00 C ATOM 422 CG GLU A 27 -0.547 -6.065 -8.656 1.00 0.00 C ATOM 423 CD GLU A 27 0.975 -6.026 -8.801 1.00 0.00 C ATOM 424 OE1 GLU A 27 1.640 -5.813 -7.799 1.00 0.00 O ATOM 425 OE2 GLU A 27 1.452 -6.208 -9.909 1.00 0.00 O ATOM 0 H GLU A 27 -1.941 -2.772 -7.150 1.00 0.00 H new ATOM 0 HA GLU A 27 -2.748 -4.753 -9.123 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -0.431 -3.985 -8.081 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -0.838 -5.064 -6.762 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -0.854 -6.996 -8.180 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -1.017 -6.040 -9.639 1.00 0.00 H new ATOM 432 N LYS A 28 -3.629 -5.226 -6.027 1.00 0.00 N ATOM 433 CA LYS A 28 -4.482 -6.092 -5.168 1.00 0.00 C ATOM 434 C LYS A 28 -5.958 -5.802 -5.456 1.00 0.00 C ATOM 435 O LYS A 28 -6.844 -6.349 -4.831 1.00 0.00 O ATOM 436 CB LYS A 28 -4.123 -5.705 -3.732 1.00 0.00 C ATOM 437 CG LYS A 28 -2.994 -6.603 -3.224 1.00 0.00 C ATOM 438 CD LYS A 28 -1.681 -6.223 -3.910 1.00 0.00 C ATOM 439 CE LYS A 28 -0.714 -7.408 -3.862 1.00 0.00 C ATOM 440 NZ LYS A 28 -1.457 -8.539 -4.482 1.00 0.00 N ATOM 0 H LYS A 28 -3.293 -4.372 -5.581 1.00 0.00 H new ATOM 0 HA LYS A 28 -4.320 -7.155 -5.348 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -3.815 -4.660 -3.693 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -4.997 -5.804 -3.089 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -2.893 -6.500 -2.144 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -3.230 -7.648 -3.424 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -1.869 -5.936 -4.945 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -1.238 -5.359 -3.415 1.00 0.00 H new ATOM 0 HE2 LYS A 28 0.203 -7.191 -4.410 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -0.426 -7.640 -2.837 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -0.795 -9.138 -5.015 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -1.913 -9.104 -3.738 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -2.182 -8.166 -5.127 1.00 0.00 H new ATOM 454 N ARG A 29 -6.225 -4.942 -6.403 1.00 0.00 N ATOM 455 CA ARG A 29 -7.637 -4.609 -6.739 1.00 0.00 C ATOM 456 C ARG A 29 -8.414 -4.235 -5.476 1.00 0.00 C ATOM 457 O ARG A 29 -9.617 -4.400 -5.407 1.00 0.00 O ATOM 458 CB ARG A 29 -8.206 -5.882 -7.364 1.00 0.00 C ATOM 459 CG ARG A 29 -8.225 -5.735 -8.887 1.00 0.00 C ATOM 460 CD ARG A 29 -8.737 -7.030 -9.519 1.00 0.00 C ATOM 461 NE ARG A 29 -8.726 -6.772 -10.986 1.00 0.00 N ATOM 462 CZ ARG A 29 -7.937 -7.460 -11.764 1.00 0.00 C ATOM 463 NH1 ARG A 29 -7.982 -8.763 -11.747 1.00 0.00 N ATOM 464 NH2 ARG A 29 -7.103 -6.846 -12.557 1.00 0.00 N ATOM 0 H ARG A 29 -5.522 -4.455 -6.959 1.00 0.00 H new ATOM 0 HA ARG A 29 -7.708 -3.756 -7.414 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -7.601 -6.743 -7.078 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -9.214 -6.064 -6.992 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -8.864 -4.900 -9.174 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -7.223 -5.510 -9.254 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -8.098 -7.875 -9.262 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -9.740 -7.271 -9.168 1.00 0.00 H new ATOM 0 HE ARG A 29 -9.336 -6.057 -11.382 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -8.634 -9.243 -11.126 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -7.366 -9.303 -12.355 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -7.067 -5.827 -12.569 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -6.486 -7.385 -13.165 1.00 0.00 H new ATOM 478 N VAL A 30 -7.744 -3.726 -4.477 1.00 0.00 N ATOM 479 CA VAL A 30 -8.465 -3.342 -3.229 1.00 0.00 C ATOM 480 C VAL A 30 -9.636 -2.419 -3.574 1.00 0.00 C ATOM 481 O VAL A 30 -9.484 -1.482 -4.333 1.00 0.00 O ATOM 482 CB VAL A 30 -7.433 -2.603 -2.377 1.00 0.00 C ATOM 483 CG1 VAL A 30 -8.085 -2.147 -1.071 1.00 0.00 C ATOM 484 CG2 VAL A 30 -6.265 -3.538 -2.058 1.00 0.00 C ATOM 0 H VAL A 30 -6.738 -3.561 -4.470 1.00 0.00 H new ATOM 0 HA VAL A 30 -8.874 -4.205 -2.704 1.00 0.00 H new ATOM 0 HB VAL A 30 -7.065 -1.736 -2.927 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -7.350 -1.620 -0.462 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -8.918 -1.480 -1.294 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -8.452 -3.016 -0.525 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -5.531 -3.009 -1.451 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -6.633 -4.405 -1.509 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -5.798 -3.867 -2.986 1.00 0.00 H new ATOM 494 N PRO A 31 -10.773 -2.717 -3.007 1.00 0.00 N ATOM 495 CA PRO A 31 -11.984 -1.905 -3.267 1.00 0.00 C ATOM 496 C PRO A 31 -11.903 -0.574 -2.516 1.00 0.00 C ATOM 497 O PRO A 31 -11.094 -0.400 -1.626 1.00 0.00 O ATOM 498 CB PRO A 31 -13.117 -2.766 -2.721 1.00 0.00 C ATOM 499 CG PRO A 31 -12.482 -3.636 -1.686 1.00 0.00 C ATOM 500 CD PRO A 31 -11.038 -3.825 -2.083 1.00 0.00 C ATOM 0 HA PRO A 31 -12.115 -1.655 -4.320 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -13.906 -2.151 -2.288 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -13.574 -3.362 -3.510 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -12.552 -3.175 -0.701 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -12.993 -4.597 -1.626 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -10.378 -3.788 -1.216 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -10.880 -4.791 -2.563 1.00 0.00 H new ATOM 508 N SER A 32 -12.739 0.363 -2.866 1.00 0.00 N ATOM 509 CA SER A 32 -12.713 1.680 -2.173 1.00 0.00 C ATOM 510 C SER A 32 -13.368 1.565 -0.792 1.00 0.00 C ATOM 511 O SER A 32 -13.333 2.485 0.000 1.00 0.00 O ATOM 512 CB SER A 32 -13.521 2.615 -3.073 1.00 0.00 C ATOM 513 OG SER A 32 -13.078 2.469 -4.417 1.00 0.00 O ATOM 0 H SER A 32 -13.439 0.273 -3.602 1.00 0.00 H new ATOM 0 HA SER A 32 -11.698 2.043 -2.013 1.00 0.00 H new ATOM 0 HB2 SER A 32 -14.583 2.381 -3.000 1.00 0.00 H new ATOM 0 HB3 SER A 32 -13.399 3.648 -2.747 1.00 0.00 H new ATOM 0 HG SER A 32 -13.594 3.065 -4.998 1.00 0.00 H new ATOM 519 N ASN A 33 -13.971 0.443 -0.500 1.00 0.00 N ATOM 520 CA ASN A 33 -14.635 0.275 0.826 1.00 0.00 C ATOM 521 C ASN A 33 -13.909 -0.787 1.657 1.00 0.00 C ATOM 522 O ASN A 33 -14.470 -1.367 2.565 1.00 0.00 O ATOM 523 CB ASN A 33 -16.064 -0.172 0.502 1.00 0.00 C ATOM 524 CG ASN A 33 -16.070 -1.652 0.114 1.00 0.00 C ATOM 525 OD1 ASN A 33 -15.229 -2.098 -0.641 1.00 0.00 O ATOM 526 ND2 ASN A 33 -16.991 -2.439 0.603 1.00 0.00 N ATOM 0 H ASN A 33 -14.032 -0.363 -1.121 1.00 0.00 H new ATOM 0 HA ASN A 33 -14.620 1.194 1.413 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -16.710 -0.011 1.365 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -16.466 0.429 -0.314 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -17.004 -3.427 0.351 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -17.697 -2.065 1.237 1.00 0.00 H new ATOM 533 N ALA A 34 -12.668 -1.048 1.353 1.00 0.00 N ATOM 534 CA ALA A 34 -11.916 -2.074 2.129 1.00 0.00 C ATOM 535 C ALA A 34 -11.441 -1.488 3.457 1.00 0.00 C ATOM 536 O ALA A 34 -11.072 -0.334 3.541 1.00 0.00 O ATOM 537 CB ALA A 34 -10.712 -2.439 1.254 1.00 0.00 C ATOM 0 H ALA A 34 -12.143 -0.597 0.603 1.00 0.00 H new ATOM 0 HA ALA A 34 -12.533 -2.943 2.360 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -10.109 -3.192 1.761 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -11.062 -2.835 0.301 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -10.108 -1.549 1.077 1.00 0.00 H new ATOM 543 N SER A 35 -11.428 -2.276 4.495 1.00 0.00 N ATOM 544 CA SER A 35 -10.952 -1.759 5.804 1.00 0.00 C ATOM 545 C SER A 35 -9.431 -1.874 5.840 1.00 0.00 C ATOM 546 O SER A 35 -8.856 -2.698 5.157 1.00 0.00 O ATOM 547 CB SER A 35 -11.580 -2.679 6.847 1.00 0.00 C ATOM 548 OG SER A 35 -10.897 -3.927 6.837 1.00 0.00 O ATOM 0 H SER A 35 -11.725 -3.252 4.492 1.00 0.00 H new ATOM 0 HA SER A 35 -11.221 -0.718 5.981 1.00 0.00 H new ATOM 0 HB2 SER A 35 -11.518 -2.224 7.836 1.00 0.00 H new ATOM 0 HB3 SER A 35 -12.638 -2.827 6.630 1.00 0.00 H new ATOM 0 HG SER A 35 -11.304 -4.528 7.495 1.00 0.00 H new ATOM 554 N TRP A 36 -8.764 -1.065 6.609 1.00 0.00 N ATOM 555 CA TRP A 36 -7.281 -1.169 6.637 1.00 0.00 C ATOM 556 C TRP A 36 -6.876 -2.626 6.851 1.00 0.00 C ATOM 557 O TRP A 36 -5.873 -3.074 6.351 1.00 0.00 O ATOM 558 CB TRP A 36 -6.808 -0.310 7.808 1.00 0.00 C ATOM 559 CG TRP A 36 -5.352 -0.576 8.034 1.00 0.00 C ATOM 560 CD1 TRP A 36 -4.778 -0.801 9.238 1.00 0.00 C ATOM 561 CD2 TRP A 36 -4.281 -0.658 7.048 1.00 0.00 C ATOM 562 NE1 TRP A 36 -3.421 -1.017 9.053 1.00 0.00 N ATOM 563 CE2 TRP A 36 -3.068 -0.939 7.720 1.00 0.00 C ATOM 564 CE3 TRP A 36 -4.246 -0.518 5.647 1.00 0.00 C ATOM 565 CZ2 TRP A 36 -1.861 -1.075 7.027 1.00 0.00 C ATOM 566 CZ3 TRP A 36 -3.035 -0.656 4.949 1.00 0.00 C ATOM 567 CH2 TRP A 36 -1.846 -0.935 5.638 1.00 0.00 C ATOM 0 H TRP A 36 -9.171 -0.348 7.210 1.00 0.00 H new ATOM 0 HA TRP A 36 -6.836 -0.830 5.702 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -6.971 0.746 7.593 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -7.380 -0.545 8.706 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -5.292 -0.811 10.188 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -2.764 -1.210 9.809 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -5.156 -0.303 5.106 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -0.947 -1.287 7.562 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -3.019 -0.547 3.875 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -0.919 -1.042 5.094 1.00 0.00 H new ATOM 578 N GLU A 37 -7.648 -3.368 7.595 1.00 0.00 N ATOM 579 CA GLU A 37 -7.293 -4.796 7.838 1.00 0.00 C ATOM 580 C GLU A 37 -7.358 -5.600 6.536 1.00 0.00 C ATOM 581 O GLU A 37 -6.445 -6.332 6.204 1.00 0.00 O ATOM 582 CB GLU A 37 -8.341 -5.299 8.832 1.00 0.00 C ATOM 583 CG GLU A 37 -8.316 -4.423 10.084 1.00 0.00 C ATOM 584 CD GLU A 37 -9.507 -3.462 10.058 1.00 0.00 C ATOM 585 OE1 GLU A 37 -10.574 -3.884 9.643 1.00 0.00 O ATOM 586 OE2 GLU A 37 -9.330 -2.321 10.454 1.00 0.00 O ATOM 0 H GLU A 37 -8.507 -3.050 8.044 1.00 0.00 H new ATOM 0 HA GLU A 37 -6.278 -4.905 8.220 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -9.331 -5.274 8.377 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -8.138 -6.337 9.097 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -8.357 -5.046 10.978 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -7.383 -3.862 10.129 1.00 0.00 H new ATOM 593 N GLN A 38 -8.427 -5.478 5.796 1.00 0.00 N ATOM 594 CA GLN A 38 -8.539 -6.247 4.522 1.00 0.00 C ATOM 595 C GLN A 38 -7.563 -5.702 3.477 1.00 0.00 C ATOM 596 O GLN A 38 -6.857 -6.447 2.821 1.00 0.00 O ATOM 597 CB GLN A 38 -9.983 -6.039 4.066 1.00 0.00 C ATOM 598 CG GLN A 38 -10.937 -6.596 5.126 1.00 0.00 C ATOM 599 CD GLN A 38 -11.526 -7.922 4.640 1.00 0.00 C ATOM 600 OE1 GLN A 38 -11.615 -8.872 5.393 1.00 0.00 O ATOM 601 NE2 GLN A 38 -11.935 -8.029 3.405 1.00 0.00 N ATOM 0 H GLN A 38 -9.225 -4.882 6.017 1.00 0.00 H new ATOM 0 HA GLN A 38 -8.296 -7.301 4.655 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -10.177 -4.978 3.908 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -10.150 -6.539 3.112 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -10.405 -6.745 6.066 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -11.736 -5.881 5.322 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -11.861 -7.232 2.772 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -12.329 -8.909 3.073 1.00 0.00 H new ATOM 610 N ALA A 39 -7.511 -4.410 3.321 1.00 0.00 N ATOM 611 CA ALA A 39 -6.582 -3.818 2.319 1.00 0.00 C ATOM 612 C ALA A 39 -5.130 -4.023 2.757 1.00 0.00 C ATOM 613 O ALA A 39 -4.263 -4.273 1.946 1.00 0.00 O ATOM 614 CB ALA A 39 -6.925 -2.329 2.286 1.00 0.00 C ATOM 0 H ALA A 39 -8.072 -3.737 3.844 1.00 0.00 H new ATOM 0 HA ALA A 39 -6.687 -4.281 1.338 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -6.280 -1.823 1.568 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -7.967 -2.202 1.991 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -6.774 -1.899 3.276 1.00 0.00 H new ATOM 620 N MET A 40 -4.859 -3.914 4.030 1.00 0.00 N ATOM 621 CA MET A 40 -3.457 -4.094 4.509 1.00 0.00 C ATOM 622 C MET A 40 -2.982 -5.528 4.285 1.00 0.00 C ATOM 623 O MET A 40 -1.909 -5.749 3.776 1.00 0.00 O ATOM 624 CB MET A 40 -3.487 -3.789 6.003 1.00 0.00 C ATOM 625 CG MET A 40 -2.121 -4.108 6.609 1.00 0.00 C ATOM 626 SD MET A 40 -2.133 -3.715 8.376 1.00 0.00 S ATOM 627 CE MET A 40 -2.132 -5.418 8.986 1.00 0.00 C ATOM 0 H MET A 40 -5.545 -3.709 4.757 1.00 0.00 H new ATOM 0 HA MET A 40 -2.772 -3.441 3.968 1.00 0.00 H new ATOM 0 HB2 MET A 40 -3.735 -2.740 6.167 1.00 0.00 H new ATOM 0 HB3 MET A 40 -4.262 -4.380 6.491 1.00 0.00 H new ATOM 0 HG2 MET A 40 -1.884 -5.162 6.462 1.00 0.00 H new ATOM 0 HG3 MET A 40 -1.345 -3.533 6.104 1.00 0.00 H new ATOM 0 HE1 MET A 40 -2.139 -5.414 10.076 1.00 0.00 H new ATOM 0 HE2 MET A 40 -3.018 -5.936 8.620 1.00 0.00 H new ATOM 0 HE3 MET A 40 -1.239 -5.931 8.631 1.00 0.00 H new ATOM 637 N LYS A 41 -3.755 -6.506 4.670 1.00 0.00 N ATOM 638 CA LYS A 41 -3.300 -7.913 4.471 1.00 0.00 C ATOM 639 C LYS A 41 -3.178 -8.221 2.976 1.00 0.00 C ATOM 640 O LYS A 41 -2.198 -8.797 2.525 1.00 0.00 O ATOM 641 CB LYS A 41 -4.373 -8.785 5.127 1.00 0.00 C ATOM 642 CG LYS A 41 -5.710 -8.599 4.407 1.00 0.00 C ATOM 643 CD LYS A 41 -6.787 -9.422 5.115 1.00 0.00 C ATOM 644 CE LYS A 41 -7.681 -10.098 4.074 1.00 0.00 C ATOM 645 NZ LYS A 41 -7.574 -11.556 4.361 1.00 0.00 N ATOM 0 H LYS A 41 -4.670 -6.396 5.108 1.00 0.00 H new ATOM 0 HA LYS A 41 -2.319 -8.095 4.910 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -4.074 -9.833 5.091 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -4.477 -8.519 6.179 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -5.988 -7.545 4.400 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -5.622 -8.913 3.367 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -6.324 -10.173 5.754 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -7.385 -8.779 5.761 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -8.712 -9.754 4.157 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -7.349 -9.870 3.061 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -8.161 -12.087 3.686 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -6.583 -11.856 4.268 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -7.903 -11.744 5.329 1.00 0.00 H new ATOM 659 N MET A 42 -4.159 -7.832 2.202 1.00 0.00 N ATOM 660 CA MET A 42 -4.098 -8.096 0.737 1.00 0.00 C ATOM 661 C MET A 42 -2.827 -7.481 0.153 1.00 0.00 C ATOM 662 O MET A 42 -2.284 -7.959 -0.823 1.00 0.00 O ATOM 663 CB MET A 42 -5.332 -7.400 0.157 1.00 0.00 C ATOM 664 CG MET A 42 -6.569 -8.275 0.361 1.00 0.00 C ATOM 665 SD MET A 42 -7.006 -9.075 -1.201 1.00 0.00 S ATOM 666 CE MET A 42 -7.331 -7.564 -2.143 1.00 0.00 C ATOM 0 H MET A 42 -4.996 -7.345 2.522 1.00 0.00 H new ATOM 0 HA MET A 42 -4.082 -9.162 0.508 1.00 0.00 H new ATOM 0 HB2 MET A 42 -5.476 -6.434 0.641 1.00 0.00 H new ATOM 0 HB3 MET A 42 -5.185 -7.206 -0.905 1.00 0.00 H new ATOM 0 HG2 MET A 42 -6.373 -9.027 1.125 1.00 0.00 H new ATOM 0 HG3 MET A 42 -7.402 -7.669 0.717 1.00 0.00 H new ATOM 0 HE1 MET A 42 -8.171 -7.730 -2.818 1.00 0.00 H new ATOM 0 HE2 MET A 42 -7.572 -6.752 -1.457 1.00 0.00 H new ATOM 0 HE3 MET A 42 -6.446 -7.299 -2.722 1.00 0.00 H new ATOM 676 N ILE A 43 -2.355 -6.418 0.740 1.00 0.00 N ATOM 677 CA ILE A 43 -1.129 -5.760 0.213 1.00 0.00 C ATOM 678 C ILE A 43 0.113 -6.228 0.986 1.00 0.00 C ATOM 679 O ILE A 43 1.215 -6.216 0.474 1.00 0.00 O ATOM 680 CB ILE A 43 -1.377 -4.260 0.412 1.00 0.00 C ATOM 681 CG1 ILE A 43 -1.303 -3.907 1.898 1.00 0.00 C ATOM 682 CG2 ILE A 43 -2.761 -3.887 -0.120 1.00 0.00 C ATOM 683 CD1 ILE A 43 -1.005 -2.413 2.040 1.00 0.00 C ATOM 0 H ILE A 43 -2.766 -5.976 1.563 1.00 0.00 H new ATOM 0 HA ILE A 43 -0.941 -6.005 -0.832 1.00 0.00 H new ATOM 0 HB ILE A 43 -0.612 -3.706 -0.132 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -2.244 -4.152 2.391 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -0.525 -4.494 2.386 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -2.931 -2.820 0.024 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -2.818 -4.123 -1.183 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -3.522 -4.452 0.418 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -0.950 -2.152 3.097 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -0.053 -2.185 1.560 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -1.799 -1.837 1.564 1.00 0.00 H new ATOM 695 N ILE A 44 -0.053 -6.650 2.209 1.00 0.00 N ATOM 696 CA ILE A 44 1.125 -7.113 2.995 1.00 0.00 C ATOM 697 C ILE A 44 1.707 -8.367 2.345 1.00 0.00 C ATOM 698 O ILE A 44 2.908 -8.531 2.255 1.00 0.00 O ATOM 699 CB ILE A 44 0.585 -7.402 4.407 1.00 0.00 C ATOM 700 CG1 ILE A 44 1.662 -7.065 5.440 1.00 0.00 C ATOM 701 CG2 ILE A 44 0.203 -8.878 4.551 1.00 0.00 C ATOM 702 CD1 ILE A 44 0.998 -6.686 6.765 1.00 0.00 C ATOM 0 H ILE A 44 -0.948 -6.694 2.696 1.00 0.00 H new ATOM 0 HA ILE A 44 1.928 -6.376 3.033 1.00 0.00 H new ATOM 0 HB ILE A 44 -0.302 -6.790 4.570 1.00 0.00 H new ATOM 0 HG12 ILE A 44 2.323 -7.920 5.584 1.00 0.00 H new ATOM 0 HG13 ILE A 44 2.279 -6.241 5.082 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -0.176 -9.059 5.557 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -0.568 -9.127 3.822 1.00 0.00 H new ATOM 0 HG23 ILE A 44 1.081 -9.500 4.377 1.00 0.00 H new ATOM 0 HD11 ILE A 44 1.765 -6.446 7.501 1.00 0.00 H new ATOM 0 HD12 ILE A 44 0.355 -5.819 6.615 1.00 0.00 H new ATOM 0 HD13 ILE A 44 0.400 -7.523 7.125 1.00 0.00 H new ATOM 714 N ASN A 45 0.867 -9.247 1.874 1.00 0.00 N ATOM 715 CA ASN A 45 1.392 -10.477 1.215 1.00 0.00 C ATOM 716 C ASN A 45 2.424 -10.082 0.152 1.00 0.00 C ATOM 717 O ASN A 45 3.265 -10.867 -0.242 1.00 0.00 O ATOM 718 CB ASN A 45 0.171 -11.127 0.565 1.00 0.00 C ATOM 719 CG ASN A 45 0.265 -12.645 0.704 1.00 0.00 C ATOM 720 OD1 ASN A 45 1.078 -13.278 0.061 1.00 0.00 O ATOM 721 ND2 ASN A 45 -0.542 -13.261 1.523 1.00 0.00 N ATOM 0 H ASN A 45 -0.149 -9.170 1.916 1.00 0.00 H new ATOM 0 HA ASN A 45 1.885 -11.155 1.912 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -0.742 -10.764 1.038 1.00 0.00 H new ATOM 0 HB3 ASN A 45 0.116 -10.851 -0.488 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -0.490 -14.275 1.624 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -1.225 -12.729 2.063 1.00 0.00 H new ATOM 728 N ASP A 46 2.355 -8.863 -0.314 1.00 0.00 N ATOM 729 CA ASP A 46 3.312 -8.384 -1.351 1.00 0.00 C ATOM 730 C ASP A 46 4.433 -7.569 -0.696 1.00 0.00 C ATOM 731 O ASP A 46 4.210 -6.883 0.285 1.00 0.00 O ATOM 732 CB ASP A 46 2.466 -7.501 -2.261 1.00 0.00 C ATOM 733 CG ASP A 46 3.228 -7.199 -3.552 1.00 0.00 C ATOM 734 OD1 ASP A 46 4.226 -6.506 -3.479 1.00 0.00 O ATOM 735 OD2 ASP A 46 2.797 -7.668 -4.594 1.00 0.00 O ATOM 0 H ASP A 46 1.667 -8.171 -0.016 1.00 0.00 H new ATOM 0 HA ASP A 46 3.792 -9.198 -1.894 1.00 0.00 H new ATOM 0 HB2 ASP A 46 1.525 -8.000 -2.493 1.00 0.00 H new ATOM 0 HB3 ASP A 46 2.217 -6.571 -1.750 1.00 0.00 H new ATOM 740 N PRO A 47 5.608 -7.675 -1.254 1.00 0.00 N ATOM 741 CA PRO A 47 6.782 -6.948 -0.705 1.00 0.00 C ATOM 742 C PRO A 47 6.572 -5.430 -0.767 1.00 0.00 C ATOM 743 O PRO A 47 7.230 -4.682 -0.072 1.00 0.00 O ATOM 744 CB PRO A 47 7.935 -7.406 -1.601 1.00 0.00 C ATOM 745 CG PRO A 47 7.274 -7.852 -2.862 1.00 0.00 C ATOM 746 CD PRO A 47 5.961 -8.457 -2.444 1.00 0.00 C ATOM 0 HA PRO A 47 6.966 -7.161 0.348 1.00 0.00 H new ATOM 0 HB2 PRO A 47 8.639 -6.595 -1.787 1.00 0.00 H new ATOM 0 HB3 PRO A 47 8.498 -8.217 -1.140 1.00 0.00 H new ATOM 0 HG2 PRO A 47 7.120 -7.013 -3.541 1.00 0.00 H new ATOM 0 HG3 PRO A 47 7.890 -8.580 -3.390 1.00 0.00 H new ATOM 0 HD2 PRO A 47 5.207 -8.367 -3.226 1.00 0.00 H new ATOM 0 HD3 PRO A 47 6.059 -9.518 -2.216 1.00 0.00 H new ATOM 754 N ARG A 48 5.651 -4.964 -1.567 1.00 0.00 N ATOM 755 CA ARG A 48 5.409 -3.491 -1.624 1.00 0.00 C ATOM 756 C ARG A 48 5.033 -2.965 -0.245 1.00 0.00 C ATOM 757 O ARG A 48 5.229 -1.806 0.060 1.00 0.00 O ATOM 758 CB ARG A 48 4.247 -3.283 -2.590 1.00 0.00 C ATOM 759 CG ARG A 48 4.780 -3.007 -3.994 1.00 0.00 C ATOM 760 CD ARG A 48 5.237 -4.312 -4.627 1.00 0.00 C ATOM 761 NE ARG A 48 4.019 -4.869 -5.273 1.00 0.00 N ATOM 762 CZ ARG A 48 4.100 -5.403 -6.463 1.00 0.00 C ATOM 763 NH1 ARG A 48 4.615 -4.723 -7.451 1.00 0.00 N ATOM 764 NH2 ARG A 48 3.668 -6.617 -6.663 1.00 0.00 N ATOM 0 H ARG A 48 5.062 -5.530 -2.177 1.00 0.00 H new ATOM 0 HA ARG A 48 6.302 -2.959 -1.951 1.00 0.00 H new ATOM 0 HB2 ARG A 48 3.609 -4.167 -2.601 1.00 0.00 H new ATOM 0 HB3 ARG A 48 3.630 -2.449 -2.256 1.00 0.00 H new ATOM 0 HG2 ARG A 48 4.004 -2.546 -4.605 1.00 0.00 H new ATOM 0 HG3 ARG A 48 5.610 -2.302 -3.948 1.00 0.00 H new ATOM 0 HD2 ARG A 48 6.029 -4.142 -5.357 1.00 0.00 H new ATOM 0 HD3 ARG A 48 5.636 -4.996 -3.878 1.00 0.00 H new ATOM 0 HE ARG A 48 3.122 -4.834 -4.788 1.00 0.00 H new ATOM 0 HH11 ARG A 48 4.955 -3.774 -7.295 1.00 0.00 H new ATOM 0 HH12 ARG A 48 4.678 -5.141 -8.379 1.00 0.00 H new ATOM 0 HH21 ARG A 48 3.267 -7.149 -5.891 1.00 0.00 H new ATOM 0 HH22 ARG A 48 3.731 -7.034 -7.592 1.00 0.00 H new ATOM 778 N TYR A 49 4.488 -3.798 0.596 1.00 0.00 N ATOM 779 CA TYR A 49 4.105 -3.316 1.950 1.00 0.00 C ATOM 780 C TYR A 49 5.346 -2.786 2.663 1.00 0.00 C ATOM 781 O TYR A 49 5.302 -1.802 3.382 1.00 0.00 O ATOM 782 CB TYR A 49 3.549 -4.541 2.671 1.00 0.00 C ATOM 783 CG TYR A 49 2.709 -4.089 3.837 1.00 0.00 C ATOM 784 CD1 TYR A 49 1.412 -3.626 3.613 1.00 0.00 C ATOM 785 CD2 TYR A 49 3.221 -4.143 5.137 1.00 0.00 C ATOM 786 CE1 TYR A 49 0.620 -3.216 4.685 1.00 0.00 C ATOM 787 CE2 TYR A 49 2.431 -3.730 6.214 1.00 0.00 C ATOM 788 CZ TYR A 49 1.131 -3.267 5.989 1.00 0.00 C ATOM 789 OH TYR A 49 0.354 -2.863 7.052 1.00 0.00 O ATOM 0 H TYR A 49 4.293 -4.781 0.407 1.00 0.00 H new ATOM 0 HA TYR A 49 3.373 -2.509 1.920 1.00 0.00 H new ATOM 0 HB2 TYR A 49 2.949 -5.140 1.986 1.00 0.00 H new ATOM 0 HB3 TYR A 49 4.365 -5.175 3.019 1.00 0.00 H new ATOM 0 HD1 TYR A 49 1.021 -3.585 2.607 1.00 0.00 H new ATOM 0 HD2 TYR A 49 4.225 -4.503 5.309 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -0.385 -2.860 4.511 1.00 0.00 H new ATOM 0 HE2 TYR A 49 2.825 -3.769 7.219 1.00 0.00 H new ATOM 0 HH TYR A 49 -0.228 -2.126 6.771 1.00 0.00 H new ATOM 799 N SER A 50 6.466 -3.414 2.443 1.00 0.00 N ATOM 800 CA SER A 50 7.716 -2.940 3.093 1.00 0.00 C ATOM 801 C SER A 50 8.136 -1.617 2.458 1.00 0.00 C ATOM 802 O SER A 50 9.049 -0.958 2.915 1.00 0.00 O ATOM 803 CB SER A 50 8.751 -4.028 2.813 1.00 0.00 C ATOM 804 OG SER A 50 10.002 -3.635 3.362 1.00 0.00 O ATOM 0 H SER A 50 6.569 -4.232 1.843 1.00 0.00 H new ATOM 0 HA SER A 50 7.601 -2.770 4.163 1.00 0.00 H new ATOM 0 HB2 SER A 50 8.430 -4.974 3.250 1.00 0.00 H new ATOM 0 HB3 SER A 50 8.846 -4.189 1.739 1.00 0.00 H new ATOM 0 HG SER A 50 10.047 -2.657 3.406 1.00 0.00 H new ATOM 810 N ALA A 51 7.454 -1.209 1.421 1.00 0.00 N ATOM 811 CA ALA A 51 7.792 0.085 0.780 1.00 0.00 C ATOM 812 C ALA A 51 7.557 1.206 1.790 1.00 0.00 C ATOM 813 O ALA A 51 8.149 2.262 1.713 1.00 0.00 O ATOM 814 CB ALA A 51 6.830 0.207 -0.405 1.00 0.00 C ATOM 0 H ALA A 51 6.680 -1.718 0.994 1.00 0.00 H new ATOM 0 HA ALA A 51 8.830 0.145 0.452 1.00 0.00 H new ATOM 0 HB1 ALA A 51 7.018 1.143 -0.932 1.00 0.00 H new ATOM 0 HB2 ALA A 51 6.984 -0.630 -1.086 1.00 0.00 H new ATOM 0 HB3 ALA A 51 5.802 0.196 -0.042 1.00 0.00 H new ATOM 820 N LEU A 52 6.699 0.977 2.754 1.00 0.00 N ATOM 821 CA LEU A 52 6.440 2.030 3.778 1.00 0.00 C ATOM 822 C LEU A 52 6.801 1.504 5.169 1.00 0.00 C ATOM 823 O LEU A 52 6.333 0.467 5.593 1.00 0.00 O ATOM 824 CB LEU A 52 4.946 2.331 3.681 1.00 0.00 C ATOM 825 CG LEU A 52 4.667 3.155 2.422 1.00 0.00 C ATOM 826 CD1 LEU A 52 3.208 3.601 2.429 1.00 0.00 C ATOM 827 CD2 LEU A 52 5.569 4.391 2.401 1.00 0.00 C ATOM 0 H LEU A 52 6.171 0.112 2.874 1.00 0.00 H new ATOM 0 HA LEU A 52 7.038 2.926 3.611 1.00 0.00 H new ATOM 0 HB2 LEU A 52 4.379 1.401 3.652 1.00 0.00 H new ATOM 0 HB3 LEU A 52 4.617 2.877 4.565 1.00 0.00 H new ATOM 0 HG LEU A 52 4.867 2.546 1.540 1.00 0.00 H new ATOM 0 HD11 LEU A 52 3.003 4.189 1.534 1.00 0.00 H new ATOM 0 HD12 LEU A 52 2.560 2.725 2.444 1.00 0.00 H new ATOM 0 HD13 LEU A 52 3.017 4.209 3.314 1.00 0.00 H new ATOM 0 HD21 LEU A 52 5.366 4.974 1.503 1.00 0.00 H new ATOM 0 HD22 LEU A 52 5.371 5.001 3.282 1.00 0.00 H new ATOM 0 HD23 LEU A 52 6.613 4.079 2.403 1.00 0.00 H new ATOM 839 N ALA A 53 7.647 2.203 5.873 1.00 0.00 N ATOM 840 CA ALA A 53 8.061 1.740 7.231 1.00 0.00 C ATOM 841 C ALA A 53 6.994 2.060 8.286 1.00 0.00 C ATOM 842 O ALA A 53 6.739 1.274 9.176 1.00 0.00 O ATOM 843 CB ALA A 53 9.347 2.510 7.532 1.00 0.00 C ATOM 0 H ALA A 53 8.072 3.078 5.567 1.00 0.00 H new ATOM 0 HA ALA A 53 8.200 0.659 7.257 1.00 0.00 H new ATOM 0 HB1 ALA A 53 9.719 2.227 8.517 1.00 0.00 H new ATOM 0 HB2 ALA A 53 10.098 2.273 6.778 1.00 0.00 H new ATOM 0 HB3 ALA A 53 9.142 3.580 7.516 1.00 0.00 H new ATOM 849 N LYS A 54 6.390 3.215 8.215 1.00 0.00 N ATOM 850 CA LYS A 54 5.366 3.582 9.240 1.00 0.00 C ATOM 851 C LYS A 54 3.960 3.158 8.803 1.00 0.00 C ATOM 852 O LYS A 54 3.561 3.346 7.673 1.00 0.00 O ATOM 853 CB LYS A 54 5.451 5.106 9.352 1.00 0.00 C ATOM 854 CG LYS A 54 6.339 5.486 10.540 1.00 0.00 C ATOM 855 CD LYS A 54 7.700 5.966 10.029 1.00 0.00 C ATOM 856 CE LYS A 54 7.790 7.487 10.170 1.00 0.00 C ATOM 857 NZ LYS A 54 9.037 7.727 10.947 1.00 0.00 N ATOM 0 H LYS A 54 6.559 3.919 7.496 1.00 0.00 H new ATOM 0 HA LYS A 54 5.553 3.081 10.190 1.00 0.00 H new ATOM 0 HB2 LYS A 54 5.858 5.526 8.432 1.00 0.00 H new ATOM 0 HB3 LYS A 54 4.454 5.527 9.481 1.00 0.00 H new ATOM 0 HG2 LYS A 54 5.862 6.271 11.127 1.00 0.00 H new ATOM 0 HG3 LYS A 54 6.469 4.628 11.200 1.00 0.00 H new ATOM 0 HD2 LYS A 54 8.501 5.490 10.594 1.00 0.00 H new ATOM 0 HD3 LYS A 54 7.831 5.678 8.986 1.00 0.00 H new ATOM 0 HE2 LYS A 54 7.833 7.972 9.195 1.00 0.00 H new ATOM 0 HE3 LYS A 54 6.919 7.888 10.688 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 9.169 8.749 11.085 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 8.965 7.259 11.873 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 9.850 7.341 10.426 1.00 0.00 H new ATOM 871 N LEU A 55 3.196 2.600 9.699 1.00 0.00 N ATOM 872 CA LEU A 55 1.814 2.186 9.332 1.00 0.00 C ATOM 873 C LEU A 55 0.970 3.425 9.031 1.00 0.00 C ATOM 874 O LEU A 55 0.063 3.388 8.223 1.00 0.00 O ATOM 875 CB LEU A 55 1.271 1.445 10.553 1.00 0.00 C ATOM 876 CG LEU A 55 0.250 0.401 10.097 1.00 0.00 C ATOM 877 CD1 LEU A 55 -0.825 1.074 9.243 1.00 0.00 C ATOM 878 CD2 LEU A 55 0.955 -0.668 9.262 1.00 0.00 C ATOM 0 H LEU A 55 3.467 2.413 10.665 1.00 0.00 H new ATOM 0 HA LEU A 55 1.792 1.555 8.444 1.00 0.00 H new ATOM 0 HB2 LEU A 55 2.086 0.962 11.092 1.00 0.00 H new ATOM 0 HB3 LEU A 55 0.805 2.149 11.243 1.00 0.00 H new ATOM 0 HG LEU A 55 -0.211 -0.058 10.971 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -1.552 0.329 8.919 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -1.329 1.841 9.831 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -0.361 1.533 8.370 1.00 0.00 H new ATOM 0 HD21 LEU A 55 0.229 -1.413 8.936 1.00 0.00 H new ATOM 0 HD22 LEU A 55 1.415 -0.204 8.390 1.00 0.00 H new ATOM 0 HD23 LEU A 55 1.725 -1.151 9.864 1.00 0.00 H new ATOM 890 N SER A 56 1.263 4.526 9.674 1.00 0.00 N ATOM 891 CA SER A 56 0.474 5.763 9.417 1.00 0.00 C ATOM 892 C SER A 56 0.547 6.118 7.931 1.00 0.00 C ATOM 893 O SER A 56 -0.449 6.427 7.309 1.00 0.00 O ATOM 894 CB SER A 56 1.145 6.845 10.261 1.00 0.00 C ATOM 895 OG SER A 56 0.716 6.721 11.612 1.00 0.00 O ATOM 0 H SER A 56 2.010 4.620 10.362 1.00 0.00 H new ATOM 0 HA SER A 56 -0.580 5.649 9.672 1.00 0.00 H new ATOM 0 HB2 SER A 56 2.229 6.749 10.201 1.00 0.00 H new ATOM 0 HB3 SER A 56 0.891 7.833 9.876 1.00 0.00 H new ATOM 0 HG SER A 56 1.146 7.413 12.157 1.00 0.00 H new ATOM 901 N GLU A 57 1.713 6.050 7.350 1.00 0.00 N ATOM 902 CA GLU A 57 1.829 6.356 5.898 1.00 0.00 C ATOM 903 C GLU A 57 1.209 5.206 5.104 1.00 0.00 C ATOM 904 O GLU A 57 0.590 5.409 4.079 1.00 0.00 O ATOM 905 CB GLU A 57 3.327 6.491 5.610 1.00 0.00 C ATOM 906 CG GLU A 57 4.062 5.247 6.099 1.00 0.00 C ATOM 907 CD GLU A 57 5.455 5.198 5.470 1.00 0.00 C ATOM 908 OE1 GLU A 57 5.799 6.135 4.769 1.00 0.00 O ATOM 909 OE2 GLU A 57 6.152 4.223 5.697 1.00 0.00 O ATOM 0 H GLU A 57 2.585 5.797 7.815 1.00 0.00 H new ATOM 0 HA GLU A 57 1.308 7.271 5.616 1.00 0.00 H new ATOM 0 HB2 GLU A 57 3.490 6.624 4.541 1.00 0.00 H new ATOM 0 HB3 GLU A 57 3.723 7.377 6.106 1.00 0.00 H new ATOM 0 HG2 GLU A 57 4.142 5.263 7.186 1.00 0.00 H new ATOM 0 HG3 GLU A 57 3.500 4.352 5.834 1.00 0.00 H new ATOM 916 N LYS A 58 1.352 3.995 5.583 1.00 0.00 N ATOM 917 CA LYS A 58 0.748 2.842 4.858 1.00 0.00 C ATOM 918 C LYS A 58 -0.760 3.065 4.747 1.00 0.00 C ATOM 919 O LYS A 58 -1.352 2.888 3.699 1.00 0.00 O ATOM 920 CB LYS A 58 1.046 1.618 5.726 1.00 0.00 C ATOM 921 CG LYS A 58 2.543 1.306 5.679 1.00 0.00 C ATOM 922 CD LYS A 58 2.750 -0.208 5.596 1.00 0.00 C ATOM 923 CE LYS A 58 3.389 -0.714 6.893 1.00 0.00 C ATOM 924 NZ LYS A 58 4.520 0.218 7.167 1.00 0.00 N ATOM 0 H LYS A 58 1.857 3.759 6.437 1.00 0.00 H new ATOM 0 HA LYS A 58 1.145 2.719 3.850 1.00 0.00 H new ATOM 0 HB2 LYS A 58 0.736 1.805 6.754 1.00 0.00 H new ATOM 0 HB3 LYS A 58 0.474 0.760 5.371 1.00 0.00 H new ATOM 0 HG2 LYS A 58 2.999 1.793 4.817 1.00 0.00 H new ATOM 0 HG3 LYS A 58 3.035 1.702 6.567 1.00 0.00 H new ATOM 0 HD2 LYS A 58 1.795 -0.707 5.431 1.00 0.00 H new ATOM 0 HD3 LYS A 58 3.388 -0.451 4.746 1.00 0.00 H new ATOM 0 HE2 LYS A 58 2.670 -0.711 7.712 1.00 0.00 H new ATOM 0 HE3 LYS A 58 3.743 -1.739 6.783 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 5.186 -0.229 7.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 5.011 0.439 6.277 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 4.153 1.096 7.587 1.00 0.00 H new ATOM 938 N LYS A 59 -1.383 3.472 5.820 1.00 0.00 N ATOM 939 CA LYS A 59 -2.848 3.727 5.777 1.00 0.00 C ATOM 940 C LYS A 59 -3.123 5.008 4.990 1.00 0.00 C ATOM 941 O LYS A 59 -4.126 5.132 4.317 1.00 0.00 O ATOM 942 CB LYS A 59 -3.265 3.891 7.235 1.00 0.00 C ATOM 943 CG LYS A 59 -3.470 2.513 7.858 1.00 0.00 C ATOM 944 CD LYS A 59 -4.115 2.670 9.233 1.00 0.00 C ATOM 945 CE LYS A 59 -3.029 2.881 10.288 1.00 0.00 C ATOM 946 NZ LYS A 59 -3.723 3.566 11.415 1.00 0.00 N ATOM 0 H LYS A 59 -0.939 3.638 6.723 1.00 0.00 H new ATOM 0 HA LYS A 59 -3.400 2.923 5.289 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -2.501 4.441 7.784 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -4.185 4.472 7.299 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -4.103 1.901 7.215 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -2.514 1.997 7.949 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -4.802 3.516 9.229 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -4.703 1.784 9.474 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -2.597 1.932 10.607 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -2.212 3.488 9.899 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -3.044 3.747 12.182 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -4.118 4.469 11.082 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -4.492 2.961 11.768 1.00 0.00 H new ATOM 960 N GLN A 60 -2.231 5.959 5.058 1.00 0.00 N ATOM 961 CA GLN A 60 -2.436 7.224 4.299 1.00 0.00 C ATOM 962 C GLN A 60 -2.498 6.902 2.811 1.00 0.00 C ATOM 963 O GLN A 60 -3.303 7.439 2.074 1.00 0.00 O ATOM 964 CB GLN A 60 -1.207 8.077 4.611 1.00 0.00 C ATOM 965 CG GLN A 60 -1.572 9.122 5.662 1.00 0.00 C ATOM 966 CD GLN A 60 -0.542 10.253 5.641 1.00 0.00 C ATOM 967 OE1 GLN A 60 0.633 10.023 5.845 1.00 0.00 O ATOM 968 NE2 GLN A 60 -0.937 11.474 5.403 1.00 0.00 N ATOM 0 H GLN A 60 -1.371 5.914 5.605 1.00 0.00 H new ATOM 0 HA GLN A 60 -3.359 7.738 4.568 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -0.395 7.447 4.975 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -0.849 8.566 3.705 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -2.567 9.519 5.464 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -1.603 8.663 6.650 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -1.924 11.666 5.232 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -0.259 12.236 5.388 1.00 0.00 H new ATOM 977 N ALA A 61 -1.655 6.015 2.372 1.00 0.00 N ATOM 978 CA ALA A 61 -1.653 5.627 0.936 1.00 0.00 C ATOM 979 C ALA A 61 -2.881 4.767 0.637 1.00 0.00 C ATOM 980 O ALA A 61 -3.498 4.891 -0.401 1.00 0.00 O ATOM 981 CB ALA A 61 -0.371 4.820 0.744 1.00 0.00 C ATOM 0 H ALA A 61 -0.962 5.538 2.949 1.00 0.00 H new ATOM 0 HA ALA A 61 -1.689 6.488 0.268 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -0.297 4.497 -0.294 1.00 0.00 H new ATOM 0 HB2 ALA A 61 0.490 5.440 0.993 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -0.390 3.946 1.396 1.00 0.00 H new ATOM 987 N PHE A 62 -3.249 3.901 1.544 1.00 0.00 N ATOM 988 CA PHE A 62 -4.446 3.047 1.307 1.00 0.00 C ATOM 989 C PHE A 62 -5.700 3.923 1.270 1.00 0.00 C ATOM 990 O PHE A 62 -6.549 3.778 0.414 1.00 0.00 O ATOM 991 CB PHE A 62 -4.499 2.090 2.495 1.00 0.00 C ATOM 992 CG PHE A 62 -5.839 1.400 2.501 1.00 0.00 C ATOM 993 CD1 PHE A 62 -6.457 1.078 1.289 1.00 0.00 C ATOM 994 CD2 PHE A 62 -6.466 1.091 3.711 1.00 0.00 C ATOM 995 CE1 PHE A 62 -7.699 0.445 1.284 1.00 0.00 C ATOM 996 CE2 PHE A 62 -7.712 0.456 3.708 1.00 0.00 C ATOM 997 CZ PHE A 62 -8.328 0.133 2.493 1.00 0.00 C ATOM 0 H PHE A 62 -2.774 3.750 2.434 1.00 0.00 H new ATOM 0 HA PHE A 62 -4.394 2.509 0.360 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -3.696 1.356 2.425 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -4.351 2.636 3.427 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -5.971 1.320 0.355 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -5.989 1.342 4.647 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -8.175 0.196 0.347 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -8.198 0.215 4.642 1.00 0.00 H new ATOM 0 HZ PHE A 62 -9.290 -0.358 2.490 1.00 0.00 H new ATOM 1007 N ASN A 63 -5.814 4.846 2.185 1.00 0.00 N ATOM 1008 CA ASN A 63 -7.000 5.745 2.184 1.00 0.00 C ATOM 1009 C ASN A 63 -6.997 6.556 0.891 1.00 0.00 C ATOM 1010 O ASN A 63 -8.001 6.687 0.217 1.00 0.00 O ATOM 1011 CB ASN A 63 -6.813 6.656 3.399 1.00 0.00 C ATOM 1012 CG ASN A 63 -7.307 5.940 4.657 1.00 0.00 C ATOM 1013 OD1 ASN A 63 -7.295 4.635 4.698 1.00 0.00 O flip ATOM 1014 ND2 ASN A 63 -7.706 6.573 5.613 1.00 0.00 N flip ATOM 0 H ASN A 63 -5.139 5.016 2.931 1.00 0.00 H new ATOM 0 HA ASN A 63 -7.947 5.208 2.238 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -5.762 6.922 3.509 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -7.364 7.586 3.257 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -7.716 7.592 5.582 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -8.032 6.085 6.448 1.00 0.00 H new ATOM 1021 N ALA A 64 -5.860 7.078 0.528 1.00 0.00 N ATOM 1022 CA ALA A 64 -5.767 7.856 -0.736 1.00 0.00 C ATOM 1023 C ALA A 64 -6.053 6.920 -1.909 1.00 0.00 C ATOM 1024 O ALA A 64 -6.623 7.309 -2.909 1.00 0.00 O ATOM 1025 CB ALA A 64 -4.325 8.365 -0.790 1.00 0.00 C ATOM 0 H ALA A 64 -4.989 6.999 1.054 1.00 0.00 H new ATOM 0 HA ALA A 64 -6.478 8.681 -0.784 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -4.179 8.950 -1.698 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -4.127 8.991 0.080 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -3.640 7.517 -0.791 1.00 0.00 H new ATOM 1031 N TYR A 65 -5.661 5.681 -1.783 1.00 0.00 N ATOM 1032 CA TYR A 65 -5.906 4.700 -2.877 1.00 0.00 C ATOM 1033 C TYR A 65 -7.409 4.552 -3.106 1.00 0.00 C ATOM 1034 O TYR A 65 -7.879 4.541 -4.225 1.00 0.00 O ATOM 1035 CB TYR A 65 -5.303 3.390 -2.365 1.00 0.00 C ATOM 1036 CG TYR A 65 -5.859 2.230 -3.150 1.00 0.00 C ATOM 1037 CD1 TYR A 65 -5.211 1.806 -4.315 1.00 0.00 C ATOM 1038 CD2 TYR A 65 -7.020 1.575 -2.713 1.00 0.00 C ATOM 1039 CE1 TYR A 65 -5.722 0.728 -5.047 1.00 0.00 C ATOM 1040 CE2 TYR A 65 -7.530 0.497 -3.444 1.00 0.00 C ATOM 1041 CZ TYR A 65 -6.882 0.074 -4.611 1.00 0.00 C ATOM 1042 OH TYR A 65 -7.385 -0.991 -5.332 1.00 0.00 O ATOM 0 H TYR A 65 -5.180 5.305 -0.966 1.00 0.00 H new ATOM 0 HA TYR A 65 -5.466 5.004 -3.827 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -4.217 3.418 -2.459 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -5.528 3.265 -1.306 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -4.317 2.310 -4.650 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -7.519 1.903 -1.813 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -5.223 0.401 -5.947 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -8.423 -0.009 -3.108 1.00 0.00 H new ATOM 0 HH TYR A 65 -8.364 -0.945 -5.344 1.00 0.00 H new ATOM 1052 N LYS A 66 -8.172 4.454 -2.055 1.00 0.00 N ATOM 1053 CA LYS A 66 -9.644 4.327 -2.220 1.00 0.00 C ATOM 1054 C LYS A 66 -10.227 5.663 -2.683 1.00 0.00 C ATOM 1055 O LYS A 66 -11.242 5.713 -3.351 1.00 0.00 O ATOM 1056 CB LYS A 66 -10.171 3.961 -0.834 1.00 0.00 C ATOM 1057 CG LYS A 66 -9.542 2.647 -0.375 1.00 0.00 C ATOM 1058 CD LYS A 66 -10.216 2.187 0.918 1.00 0.00 C ATOM 1059 CE LYS A 66 -9.809 3.114 2.064 1.00 0.00 C ATOM 1060 NZ LYS A 66 -10.899 2.985 3.069 1.00 0.00 N ATOM 0 H LYS A 66 -7.840 4.456 -1.090 1.00 0.00 H new ATOM 0 HA LYS A 66 -9.918 3.579 -2.964 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -9.938 4.755 -0.124 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -11.257 3.866 -0.860 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -9.656 1.887 -1.148 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -8.472 2.780 -0.213 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -11.299 2.194 0.798 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -9.927 1.161 1.146 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -8.847 2.822 2.485 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -9.708 4.144 1.722 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -10.651 3.526 3.922 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -11.785 3.355 2.670 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -11.024 1.983 3.319 1.00 0.00 H new ATOM 1074 N VAL A 67 -9.594 6.749 -2.323 1.00 0.00 N ATOM 1075 CA VAL A 67 -10.113 8.087 -2.732 1.00 0.00 C ATOM 1076 C VAL A 67 -9.629 8.453 -4.141 1.00 0.00 C ATOM 1077 O VAL A 67 -10.187 9.312 -4.792 1.00 0.00 O ATOM 1078 CB VAL A 67 -9.538 9.061 -1.706 1.00 0.00 C ATOM 1079 CG1 VAL A 67 -10.032 10.476 -2.014 1.00 0.00 C ATOM 1080 CG2 VAL A 67 -9.997 8.655 -0.304 1.00 0.00 C ATOM 0 H VAL A 67 -8.741 6.767 -1.764 1.00 0.00 H new ATOM 0 HA VAL A 67 -11.202 8.108 -2.761 1.00 0.00 H new ATOM 0 HB VAL A 67 -8.449 9.037 -1.753 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -9.622 11.172 -1.282 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -9.706 10.766 -3.013 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -11.121 10.500 -1.967 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -9.587 9.350 0.429 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -11.086 8.679 -0.257 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -9.646 7.647 -0.084 1.00 0.00 H new