USER MOD reduce.3.24.130724 H: found=0, std=0, add=554, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 552 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 58 ASN : amide:sc= 0.992 K(o=2.6,f=0.52) USER MOD Set 1.2: A 69 THR OG1 : rot 23:sc= 1.63 USER MOD Set 2.1: A 59 HIS : no HD1:sc= 0 X(o=-0.0027,f=-0.19) USER MOD Set 2.2: A 61 LYS NZ :NH3+ -167:sc=-0.00271 (180deg=-0.199) USER MOD Set 3.1: A 40 SER OG : rot 180:sc= 1.7 USER MOD Set 3.2: A 43 THR OG1 : rot 89:sc= 1.2 USER MOD Set 4.1: A 27 ASN : amide:sc= 0.688 K(o=1.5,f=-5.9!) USER MOD Set 4.2: A 31 LYS NZ :NH3+ 155:sc= 0.783 (180deg=-0.0444) USER MOD Set 5.1: A 26 THR OG1 : rot -85:sc= 2.17 USER MOD Set 5.2: A 68 TYR OH : rot 44:sc= 2.46 USER MOD Single : A 8 SER OG : rot -68:sc= 1.27 USER MOD Single : A 15 MET CE :methyl 163:sc= -1.72! (180deg=-1.82!) USER MOD Single : A 16 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0263) USER MOD Single : A 20 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.025) USER MOD Single : A 21 HIS : no HD1:sc= 0.93 K(o=0.93,f=-2.8!) USER MOD Single : A 22 SER OG : rot 180:sc= 0.254 USER MOD Single : A 23 SER OG : rot 5:sc= 0.236 USER MOD Single : A 25 ASN : amide:sc= -0.391 K(o=-0.39,f=-11!) USER MOD Single : A 34 SER OG : rot 71:sc= 1.25 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 THR OG1 : rot -79:sc= 0.98 USER MOD Single : A 37 SER OG : rot 6:sc= 0.284 USER MOD Single : A 38 THR OG1 : rot 52:sc= 0.266 USER MOD Single : A 42 LYS NZ :NH3+ 166:sc=-0.00632 (180deg=-0.159) USER MOD Single : A 45 GLN : amide:sc= 0 K(o=0,f=-0.9) USER MOD Single : A 46 THR OG1 : rot 74:sc= 1.13 USER MOD Single : A 47 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 HIS : no HD1:sc= 0.665 K(o=0.67,f=-4.2!) USER MOD Single : A 71 ASN : amide:sc= 0 X(o=0,f=0.19) USER MOD ----------------------------------------------------------------- ATOM 133 N SER A 8 8.292 3.365 -6.392 1.00 0.00 N ATOM 134 CA SER A 8 8.982 2.611 -7.428 1.00 0.00 C ATOM 135 C SER A 8 7.939 1.757 -8.162 1.00 0.00 C ATOM 136 O SER A 8 6.818 1.604 -7.681 1.00 0.00 O ATOM 137 CB SER A 8 10.066 1.736 -6.790 1.00 0.00 C ATOM 138 OG SER A 8 9.497 0.853 -5.842 1.00 0.00 O ATOM 0 HA SER A 8 9.470 3.278 -8.139 1.00 0.00 H new ATOM 0 HB2 SER A 8 10.582 1.166 -7.562 1.00 0.00 H new ATOM 0 HB3 SER A 8 10.812 2.366 -6.306 1.00 0.00 H new ATOM 0 HG SER A 8 9.163 1.366 -5.077 1.00 0.00 H new ATOM 144 N ASP A 9 8.297 1.171 -9.310 1.00 0.00 N ATOM 145 CA ASP A 9 7.381 0.345 -10.096 1.00 0.00 C ATOM 146 C ASP A 9 6.687 -0.725 -9.244 1.00 0.00 C ATOM 147 O ASP A 9 5.463 -0.830 -9.245 1.00 0.00 O ATOM 148 CB ASP A 9 8.131 -0.293 -11.268 1.00 0.00 C ATOM 149 CG ASP A 9 7.213 -1.211 -12.072 1.00 0.00 C ATOM 150 OD1 ASP A 9 6.513 -0.677 -12.958 1.00 0.00 O ATOM 151 OD2 ASP A 9 7.230 -2.426 -11.778 1.00 0.00 O ATOM 0 H ASP A 9 9.228 1.257 -9.717 1.00 0.00 H new ATOM 0 HA ASP A 9 6.596 0.995 -10.483 1.00 0.00 H new ATOM 0 HB2 ASP A 9 8.530 0.487 -11.917 1.00 0.00 H new ATOM 0 HB3 ASP A 9 8.982 -0.862 -10.893 1.00 0.00 H new ATOM 156 N ALA A 10 7.473 -1.512 -8.505 1.00 0.00 N ATOM 157 CA ALA A 10 6.944 -2.576 -7.661 1.00 0.00 C ATOM 158 C ALA A 10 5.883 -2.032 -6.701 1.00 0.00 C ATOM 159 O ALA A 10 4.783 -2.573 -6.601 1.00 0.00 O ATOM 160 CB ALA A 10 8.088 -3.249 -6.900 1.00 0.00 C ATOM 0 H ALA A 10 8.489 -1.427 -8.478 1.00 0.00 H new ATOM 0 HA ALA A 10 6.461 -3.322 -8.292 1.00 0.00 H new ATOM 0 HB1 ALA A 10 7.688 -4.044 -6.270 1.00 0.00 H new ATOM 0 HB2 ALA A 10 8.799 -3.672 -7.610 1.00 0.00 H new ATOM 0 HB3 ALA A 10 8.594 -2.512 -6.276 1.00 0.00 H new ATOM 166 N GLU A 11 6.211 -0.942 -6.005 1.00 0.00 N ATOM 167 CA GLU A 11 5.287 -0.296 -5.090 1.00 0.00 C ATOM 168 C GLU A 11 4.042 0.184 -5.842 1.00 0.00 C ATOM 169 O GLU A 11 2.925 0.030 -5.351 1.00 0.00 O ATOM 170 CB GLU A 11 5.989 0.879 -4.409 1.00 0.00 C ATOM 171 CG GLU A 11 7.066 0.417 -3.421 1.00 0.00 C ATOM 172 CD GLU A 11 7.862 1.606 -2.895 1.00 0.00 C ATOM 173 OE1 GLU A 11 8.482 2.277 -3.751 1.00 0.00 O ATOM 174 OE2 GLU A 11 7.836 1.820 -1.664 1.00 0.00 O ATOM 0 H GLU A 11 7.123 -0.489 -6.064 1.00 0.00 H new ATOM 0 HA GLU A 11 4.970 -1.011 -4.331 1.00 0.00 H new ATOM 0 HB2 GLU A 11 6.443 1.517 -5.167 1.00 0.00 H new ATOM 0 HB3 GLU A 11 5.252 1.485 -3.883 1.00 0.00 H new ATOM 0 HG2 GLU A 11 6.600 -0.112 -2.589 1.00 0.00 H new ATOM 0 HG3 GLU A 11 7.737 -0.288 -3.911 1.00 0.00 H new ATOM 181 N LEU A 12 4.229 0.771 -7.028 1.00 0.00 N ATOM 182 CA LEU A 12 3.134 1.277 -7.842 1.00 0.00 C ATOM 183 C LEU A 12 2.100 0.165 -8.033 1.00 0.00 C ATOM 184 O LEU A 12 0.909 0.419 -7.906 1.00 0.00 O ATOM 185 CB LEU A 12 3.661 1.805 -9.193 1.00 0.00 C ATOM 186 CG LEU A 12 2.774 2.802 -9.967 1.00 0.00 C ATOM 187 CD1 LEU A 12 1.403 2.244 -10.360 1.00 0.00 C ATOM 188 CD2 LEU A 12 2.597 4.140 -9.241 1.00 0.00 C ATOM 0 H LEU A 12 5.149 0.906 -7.447 1.00 0.00 H new ATOM 0 HA LEU A 12 2.655 2.116 -7.337 1.00 0.00 H new ATOM 0 HB2 LEU A 12 4.625 2.282 -9.014 1.00 0.00 H new ATOM 0 HB3 LEU A 12 3.845 0.947 -9.840 1.00 0.00 H new ATOM 0 HG LEU A 12 3.332 2.978 -10.887 1.00 0.00 H new ATOM 0 HD11 LEU A 12 0.841 3.006 -10.900 1.00 0.00 H new ATOM 0 HD12 LEU A 12 1.535 1.370 -10.998 1.00 0.00 H new ATOM 0 HD13 LEU A 12 0.855 1.958 -9.462 1.00 0.00 H new ATOM 0 HD21 LEU A 12 1.963 4.796 -9.837 1.00 0.00 H new ATOM 0 HD22 LEU A 12 2.131 3.969 -8.271 1.00 0.00 H new ATOM 0 HD23 LEU A 12 3.571 4.608 -9.098 1.00 0.00 H new ATOM 200 N GLU A 13 2.529 -1.076 -8.293 1.00 0.00 N ATOM 201 CA GLU A 13 1.591 -2.182 -8.443 1.00 0.00 C ATOM 202 C GLU A 13 0.707 -2.342 -7.202 1.00 0.00 C ATOM 203 O GLU A 13 -0.513 -2.459 -7.321 1.00 0.00 O ATOM 204 CB GLU A 13 2.335 -3.492 -8.723 1.00 0.00 C ATOM 205 CG GLU A 13 3.177 -3.455 -10.007 1.00 0.00 C ATOM 206 CD GLU A 13 2.347 -3.051 -11.224 1.00 0.00 C ATOM 207 OE1 GLU A 13 1.425 -3.824 -11.563 1.00 0.00 O ATOM 208 OE2 GLU A 13 2.628 -1.965 -11.775 1.00 0.00 O ATOM 0 H GLU A 13 3.510 -1.333 -8.402 1.00 0.00 H new ATOM 0 HA GLU A 13 0.949 -1.948 -9.292 1.00 0.00 H new ATOM 0 HB2 GLU A 13 2.985 -3.719 -7.878 1.00 0.00 H new ATOM 0 HB3 GLU A 13 1.611 -4.304 -8.796 1.00 0.00 H new ATOM 0 HG2 GLU A 13 4.001 -2.752 -9.880 1.00 0.00 H new ATOM 0 HG3 GLU A 13 3.619 -4.436 -10.179 1.00 0.00 H new ATOM 215 N VAL A 14 1.307 -2.358 -6.007 1.00 0.00 N ATOM 216 CA VAL A 14 0.520 -2.532 -4.792 1.00 0.00 C ATOM 217 C VAL A 14 -0.424 -1.345 -4.616 1.00 0.00 C ATOM 218 O VAL A 14 -1.596 -1.520 -4.286 1.00 0.00 O ATOM 219 CB VAL A 14 1.379 -2.843 -3.548 1.00 0.00 C ATOM 220 CG1 VAL A 14 2.613 -3.680 -3.906 1.00 0.00 C ATOM 221 CG2 VAL A 14 1.791 -1.658 -2.665 1.00 0.00 C ATOM 0 H VAL A 14 2.311 -2.255 -5.861 1.00 0.00 H new ATOM 0 HA VAL A 14 -0.094 -3.425 -4.905 1.00 0.00 H new ATOM 0 HB VAL A 14 0.689 -3.415 -2.928 1.00 0.00 H new ATOM 0 HG11 VAL A 14 3.192 -3.878 -3.004 1.00 0.00 H new ATOM 0 HG12 VAL A 14 2.296 -4.624 -4.349 1.00 0.00 H new ATOM 0 HG13 VAL A 14 3.229 -3.133 -4.620 1.00 0.00 H new ATOM 0 HG21 VAL A 14 2.390 -2.018 -1.829 1.00 0.00 H new ATOM 0 HG22 VAL A 14 2.377 -0.952 -3.254 1.00 0.00 H new ATOM 0 HG23 VAL A 14 0.899 -1.160 -2.285 1.00 0.00 H new ATOM 231 N MET A 15 0.080 -0.135 -4.872 1.00 0.00 N ATOM 232 CA MET A 15 -0.729 1.069 -4.795 1.00 0.00 C ATOM 233 C MET A 15 -1.939 0.946 -5.727 1.00 0.00 C ATOM 234 O MET A 15 -3.071 1.197 -5.324 1.00 0.00 O ATOM 235 CB MET A 15 0.106 2.291 -5.173 1.00 0.00 C ATOM 236 CG MET A 15 1.346 2.538 -4.310 1.00 0.00 C ATOM 237 SD MET A 15 1.236 3.996 -3.243 1.00 0.00 S ATOM 238 CE MET A 15 -0.125 3.518 -2.171 1.00 0.00 C ATOM 0 H MET A 15 1.052 0.030 -5.135 1.00 0.00 H new ATOM 0 HA MET A 15 -1.083 1.192 -3.771 1.00 0.00 H new ATOM 0 HB2 MET A 15 0.423 2.185 -6.211 1.00 0.00 H new ATOM 0 HB3 MET A 15 -0.531 3.174 -5.123 1.00 0.00 H new ATOM 0 HG2 MET A 15 1.522 1.660 -3.688 1.00 0.00 H new ATOM 0 HG3 MET A 15 2.212 2.645 -4.963 1.00 0.00 H new ATOM 0 HE1 MET A 15 -0.128 4.150 -1.283 1.00 0.00 H new ATOM 0 HE2 MET A 15 -1.068 3.638 -2.705 1.00 0.00 H new ATOM 0 HE3 MET A 15 -0.006 2.476 -1.875 1.00 0.00 H new ATOM 248 N LYS A 16 -1.690 0.544 -6.975 1.00 0.00 N ATOM 249 CA LYS A 16 -2.698 0.328 -7.997 1.00 0.00 C ATOM 250 C LYS A 16 -3.737 -0.667 -7.487 1.00 0.00 C ATOM 251 O LYS A 16 -4.929 -0.400 -7.588 1.00 0.00 O ATOM 252 CB LYS A 16 -2.022 -0.122 -9.297 1.00 0.00 C ATOM 253 CG LYS A 16 -3.025 -0.139 -10.455 1.00 0.00 C ATOM 254 CD LYS A 16 -2.374 -0.536 -11.790 1.00 0.00 C ATOM 255 CE LYS A 16 -1.576 -1.847 -11.744 1.00 0.00 C ATOM 256 NZ LYS A 16 -2.365 -2.962 -11.192 1.00 0.00 N ATOM 0 H LYS A 16 -0.744 0.355 -7.307 1.00 0.00 H new ATOM 0 HA LYS A 16 -3.227 1.255 -8.218 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -1.197 0.550 -9.534 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -1.595 -1.116 -9.165 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -3.830 -0.837 -10.225 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -3.478 0.848 -10.554 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -3.153 -0.626 -12.547 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -1.710 0.268 -12.109 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -1.244 -2.103 -12.750 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -0.681 -1.704 -11.139 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -1.822 -3.845 -11.274 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -2.575 -2.776 -10.190 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -3.256 -3.052 -11.721 1.00 0.00 H new ATOM 270 N VAL A 17 -3.307 -1.804 -6.933 1.00 0.00 N ATOM 271 CA VAL A 17 -4.235 -2.774 -6.359 1.00 0.00 C ATOM 272 C VAL A 17 -5.105 -2.097 -5.291 1.00 0.00 C ATOM 273 O VAL A 17 -6.334 -2.182 -5.337 1.00 0.00 O ATOM 274 CB VAL A 17 -3.457 -3.987 -5.814 1.00 0.00 C ATOM 275 CG1 VAL A 17 -4.289 -4.800 -4.815 1.00 0.00 C ATOM 276 CG2 VAL A 17 -3.024 -4.885 -6.980 1.00 0.00 C ATOM 0 H VAL A 17 -2.325 -2.072 -6.871 1.00 0.00 H new ATOM 0 HA VAL A 17 -4.909 -3.148 -7.130 1.00 0.00 H new ATOM 0 HB VAL A 17 -2.581 -3.611 -5.285 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -3.702 -5.646 -4.456 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -4.566 -4.167 -3.972 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -5.191 -5.166 -5.306 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -2.474 -5.743 -6.594 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -3.906 -5.232 -7.519 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -2.385 -4.319 -7.657 1.00 0.00 H new ATOM 286 N ILE A 18 -4.471 -1.411 -4.336 1.00 0.00 N ATOM 287 CA ILE A 18 -5.180 -0.726 -3.262 1.00 0.00 C ATOM 288 C ILE A 18 -6.207 0.257 -3.842 1.00 0.00 C ATOM 289 O ILE A 18 -7.337 0.296 -3.367 1.00 0.00 O ATOM 290 CB ILE A 18 -4.174 -0.068 -2.296 1.00 0.00 C ATOM 291 CG1 ILE A 18 -3.329 -1.154 -1.595 1.00 0.00 C ATOM 292 CG2 ILE A 18 -4.908 0.786 -1.246 1.00 0.00 C ATOM 293 CD1 ILE A 18 -2.023 -0.603 -1.027 1.00 0.00 C ATOM 0 H ILE A 18 -3.456 -1.317 -4.289 1.00 0.00 H new ATOM 0 HA ILE A 18 -5.747 -1.447 -2.673 1.00 0.00 H new ATOM 0 HB ILE A 18 -3.516 0.583 -2.872 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -3.912 -1.600 -0.789 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -3.105 -1.950 -2.305 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -4.180 1.241 -0.574 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -5.478 1.568 -1.747 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -5.586 0.154 -0.672 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -1.468 -1.408 -0.545 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -1.424 -0.182 -1.834 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -2.244 0.174 -0.295 1.00 0.00 H new ATOM 305 N TRP A 19 -5.826 1.033 -4.862 1.00 0.00 N ATOM 306 CA TRP A 19 -6.702 1.996 -5.522 1.00 0.00 C ATOM 307 C TRP A 19 -7.785 1.322 -6.373 1.00 0.00 C ATOM 308 O TRP A 19 -8.855 1.896 -6.560 1.00 0.00 O ATOM 309 CB TRP A 19 -5.865 2.987 -6.349 1.00 0.00 C ATOM 310 CG TRP A 19 -5.022 3.943 -5.556 1.00 0.00 C ATOM 311 CD1 TRP A 19 -5.454 4.619 -4.467 1.00 0.00 C ATOM 312 CD2 TRP A 19 -3.642 4.388 -5.771 1.00 0.00 C ATOM 313 NE1 TRP A 19 -4.441 5.403 -3.966 1.00 0.00 N ATOM 314 CE2 TRP A 19 -3.300 5.287 -4.721 1.00 0.00 C ATOM 315 CE3 TRP A 19 -2.644 4.153 -6.746 1.00 0.00 C ATOM 316 CZ2 TRP A 19 -2.037 5.879 -4.609 1.00 0.00 C ATOM 317 CZ3 TRP A 19 -1.393 4.803 -6.684 1.00 0.00 C ATOM 318 CH2 TRP A 19 -1.071 5.623 -5.587 1.00 0.00 C ATOM 0 H TRP A 19 -4.885 1.006 -5.255 1.00 0.00 H new ATOM 0 HA TRP A 19 -7.233 2.548 -4.746 1.00 0.00 H new ATOM 0 HB2 TRP A 19 -5.212 2.419 -7.012 1.00 0.00 H new ATOM 0 HB3 TRP A 19 -6.539 3.564 -6.982 1.00 0.00 H new ATOM 0 HD1 TRP A 19 -6.449 4.553 -4.052 1.00 0.00 H new ATOM 0 HE1 TRP A 19 -4.526 5.995 -3.140 1.00 0.00 H new ATOM 0 HE3 TRP A 19 -2.843 3.463 -7.553 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 -1.811 6.527 -3.775 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 -0.679 4.670 -7.483 1.00 0.00 H new ATOM 0 HH2 TRP A 19 -0.084 6.052 -5.501 1.00 0.00 H new ATOM 329 N LYS A 20 -7.511 0.138 -6.927 1.00 0.00 N ATOM 330 CA LYS A 20 -8.482 -0.607 -7.714 1.00 0.00 C ATOM 331 C LYS A 20 -9.607 -1.075 -6.790 1.00 0.00 C ATOM 332 O LYS A 20 -10.782 -0.981 -7.142 1.00 0.00 O ATOM 333 CB LYS A 20 -7.788 -1.772 -8.440 1.00 0.00 C ATOM 334 CG LYS A 20 -8.744 -2.680 -9.227 1.00 0.00 C ATOM 335 CD LYS A 20 -9.527 -1.909 -10.300 1.00 0.00 C ATOM 336 CE LYS A 20 -10.346 -2.852 -11.188 1.00 0.00 C ATOM 337 NZ LYS A 20 -11.381 -3.568 -10.420 1.00 0.00 N ATOM 0 H LYS A 20 -6.607 -0.327 -6.839 1.00 0.00 H new ATOM 0 HA LYS A 20 -8.921 0.025 -8.486 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -7.043 -1.367 -9.125 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -7.252 -2.375 -7.707 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -8.175 -3.480 -9.700 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -9.444 -3.151 -8.537 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -10.192 -1.191 -9.820 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -8.833 -1.338 -10.917 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -10.817 -2.280 -11.987 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -9.681 -3.574 -11.662 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -11.968 -4.131 -11.069 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -10.927 -4.198 -9.729 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -11.980 -2.880 -9.920 1.00 0.00 H new ATOM 351 N HIS A 21 -9.245 -1.621 -5.626 1.00 0.00 N ATOM 352 CA HIS A 21 -10.223 -2.000 -4.614 1.00 0.00 C ATOM 353 C HIS A 21 -10.693 -0.720 -3.892 1.00 0.00 C ATOM 354 O HIS A 21 -10.176 0.362 -4.156 1.00 0.00 O ATOM 355 CB HIS A 21 -9.600 -3.016 -3.647 1.00 0.00 C ATOM 356 CG HIS A 21 -9.280 -4.374 -4.230 1.00 0.00 C ATOM 357 ND1 HIS A 21 -9.767 -5.536 -3.630 1.00 0.00 N ATOM 358 CD2 HIS A 21 -8.491 -4.732 -5.295 1.00 0.00 C ATOM 359 CE1 HIS A 21 -9.261 -6.539 -4.350 1.00 0.00 C ATOM 360 NE2 HIS A 21 -8.484 -6.113 -5.357 1.00 0.00 N ATOM 0 H HIS A 21 -8.277 -1.809 -5.365 1.00 0.00 H new ATOM 0 HA HIS A 21 -11.090 -2.480 -5.067 1.00 0.00 H new ATOM 0 HB2 HIS A 21 -8.681 -2.589 -3.245 1.00 0.00 H new ATOM 0 HB3 HIS A 21 -10.281 -3.154 -2.807 1.00 0.00 H new ATOM 0 HD2 HIS A 21 -7.972 -4.059 -5.961 1.00 0.00 H new ATOM 0 HE1 HIS A 21 -9.456 -7.581 -4.144 1.00 0.00 H new ATOM 0 HE2 HIS A 21 -7.987 -6.692 -6.034 1.00 0.00 H new ATOM 368 N SER A 22 -11.686 -0.798 -2.997 1.00 0.00 N ATOM 369 CA SER A 22 -12.139 0.376 -2.253 1.00 0.00 C ATOM 370 C SER A 22 -11.046 0.727 -1.243 1.00 0.00 C ATOM 371 O SER A 22 -10.527 1.840 -1.193 1.00 0.00 O ATOM 372 CB SER A 22 -13.448 -0.002 -1.554 1.00 0.00 C ATOM 373 OG SER A 22 -13.334 -1.323 -1.042 1.00 0.00 O ATOM 0 H SER A 22 -12.186 -1.658 -2.774 1.00 0.00 H new ATOM 0 HA SER A 22 -12.318 1.240 -2.893 1.00 0.00 H new ATOM 0 HB2 SER A 22 -13.659 0.698 -0.746 1.00 0.00 H new ATOM 0 HB3 SER A 22 -14.281 0.060 -2.255 1.00 0.00 H new ATOM 0 HG SER A 22 -14.168 -1.572 -0.591 1.00 0.00 H new ATOM 379 N SER A 23 -10.756 -0.226 -0.365 1.00 0.00 N ATOM 380 CA SER A 23 -9.500 -0.285 0.357 1.00 0.00 C ATOM 381 C SER A 23 -9.060 -1.744 0.183 1.00 0.00 C ATOM 382 O SER A 23 -9.611 -2.414 -0.689 1.00 0.00 O ATOM 383 CB SER A 23 -9.775 0.163 1.794 1.00 0.00 C ATOM 384 OG SER A 23 -10.083 1.545 1.764 1.00 0.00 O ATOM 0 H SER A 23 -11.396 -0.986 -0.135 1.00 0.00 H new ATOM 0 HA SER A 23 -8.698 0.367 0.011 1.00 0.00 H new ATOM 0 HB2 SER A 23 -10.603 -0.404 2.219 1.00 0.00 H new ATOM 0 HB3 SER A 23 -8.905 -0.021 2.425 1.00 0.00 H new ATOM 0 HG SER A 23 -10.119 1.852 0.834 1.00 0.00 H new ATOM 390 N ILE A 24 -8.199 -2.316 1.028 1.00 0.00 N ATOM 391 CA ILE A 24 -7.923 -3.752 0.952 1.00 0.00 C ATOM 392 C ILE A 24 -7.495 -4.288 2.320 1.00 0.00 C ATOM 393 O ILE A 24 -6.850 -3.538 3.054 1.00 0.00 O ATOM 394 CB ILE A 24 -6.974 -4.043 -0.224 1.00 0.00 C ATOM 395 CG1 ILE A 24 -6.938 -5.537 -0.567 1.00 0.00 C ATOM 396 CG2 ILE A 24 -5.577 -3.485 0.034 1.00 0.00 C ATOM 397 CD1 ILE A 24 -6.368 -5.801 -1.964 1.00 0.00 C ATOM 0 H ILE A 24 -7.690 -1.819 1.759 1.00 0.00 H new ATOM 0 HA ILE A 24 -8.827 -4.316 0.720 1.00 0.00 H new ATOM 0 HB ILE A 24 -7.371 -3.526 -1.098 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -6.336 -6.063 0.174 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -7.947 -5.946 -0.506 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -4.933 -3.709 -0.817 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -5.636 -2.405 0.171 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -5.163 -3.942 0.933 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -6.364 -6.873 -2.159 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -6.985 -5.299 -2.709 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -5.349 -5.418 -2.019 1.00 0.00 H new ATOM 409 N ASN A 25 -7.821 -5.540 2.676 1.00 0.00 N ATOM 410 CA ASN A 25 -7.346 -6.167 3.917 1.00 0.00 C ATOM 411 C ASN A 25 -6.088 -6.992 3.642 1.00 0.00 C ATOM 412 O ASN A 25 -5.855 -7.378 2.502 1.00 0.00 O ATOM 413 CB ASN A 25 -8.446 -6.976 4.625 1.00 0.00 C ATOM 414 CG ASN A 25 -8.723 -8.370 4.054 1.00 0.00 C ATOM 415 OD1 ASN A 25 -7.815 -9.152 3.784 1.00 0.00 O ATOM 416 ND2 ASN A 25 -9.997 -8.723 3.912 1.00 0.00 N ATOM 0 H ASN A 25 -8.420 -6.144 2.113 1.00 0.00 H new ATOM 0 HA ASN A 25 -7.078 -5.375 4.616 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -8.173 -7.082 5.675 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -9.371 -6.401 4.593 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -10.233 -9.656 3.574 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -10.738 -8.061 4.141 1.00 0.00 H new ATOM 423 N THR A 26 -5.279 -7.288 4.662 1.00 0.00 N ATOM 424 CA THR A 26 -4.026 -8.018 4.490 1.00 0.00 C ATOM 425 C THR A 26 -4.138 -9.352 3.741 1.00 0.00 C ATOM 426 O THR A 26 -3.246 -9.680 2.962 1.00 0.00 O ATOM 427 CB THR A 26 -3.340 -8.209 5.849 1.00 0.00 C ATOM 428 OG1 THR A 26 -3.689 -7.154 6.722 1.00 0.00 O ATOM 429 CG2 THR A 26 -1.817 -8.261 5.680 1.00 0.00 C ATOM 0 H THR A 26 -5.476 -7.028 5.628 1.00 0.00 H new ATOM 0 HA THR A 26 -3.414 -7.393 3.839 1.00 0.00 H new ATOM 0 HB THR A 26 -3.678 -9.153 6.276 1.00 0.00 H new ATOM 0 HG1 THR A 26 -3.088 -6.394 6.574 1.00 0.00 H new ATOM 0 HG21 THR A 26 -1.347 -8.397 6.654 1.00 0.00 H new ATOM 0 HG22 THR A 26 -1.551 -9.094 5.030 1.00 0.00 H new ATOM 0 HG23 THR A 26 -1.468 -7.329 5.236 1.00 0.00 H new ATOM 437 N ASN A 27 -5.190 -10.146 3.959 1.00 0.00 N ATOM 438 CA ASN A 27 -5.308 -11.405 3.228 1.00 0.00 C ATOM 439 C ASN A 27 -5.468 -11.093 1.744 1.00 0.00 C ATOM 440 O ASN A 27 -4.714 -11.593 0.911 1.00 0.00 O ATOM 441 CB ASN A 27 -6.477 -12.254 3.741 1.00 0.00 C ATOM 442 CG ASN A 27 -6.744 -13.424 2.794 1.00 0.00 C ATOM 443 OD1 ASN A 27 -6.066 -14.443 2.842 1.00 0.00 O ATOM 444 ND2 ASN A 27 -7.727 -13.284 1.908 1.00 0.00 N ATOM 0 H ASN A 27 -5.947 -9.948 4.613 1.00 0.00 H new ATOM 0 HA ASN A 27 -4.405 -11.994 3.387 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -6.251 -12.630 4.739 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -7.372 -11.637 3.828 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -7.930 -14.035 1.249 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -8.277 -12.425 1.888 1.00 0.00 H new ATOM 451 N GLU A 28 -6.449 -10.243 1.430 1.00 0.00 N ATOM 452 CA GLU A 28 -6.723 -9.823 0.068 1.00 0.00 C ATOM 453 C GLU A 28 -5.454 -9.255 -0.570 1.00 0.00 C ATOM 454 O GLU A 28 -5.109 -9.628 -1.688 1.00 0.00 O ATOM 455 CB GLU A 28 -7.827 -8.764 0.080 1.00 0.00 C ATOM 456 CG GLU A 28 -9.181 -9.288 0.571 1.00 0.00 C ATOM 457 CD GLU A 28 -10.176 -8.148 0.794 1.00 0.00 C ATOM 458 OE1 GLU A 28 -9.726 -7.070 1.247 1.00 0.00 O ATOM 459 OE2 GLU A 28 -11.374 -8.383 0.528 1.00 0.00 O ATOM 0 H GLU A 28 -7.074 -9.829 2.122 1.00 0.00 H new ATOM 0 HA GLU A 28 -7.052 -10.681 -0.518 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -7.516 -7.936 0.716 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -7.946 -8.365 -0.927 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -9.587 -9.989 -0.158 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -9.043 -9.839 1.501 1.00 0.00 H new ATOM 466 N VAL A 29 -4.767 -8.354 0.139 1.00 0.00 N ATOM 467 CA VAL A 29 -3.567 -7.705 -0.360 1.00 0.00 C ATOM 468 C VAL A 29 -2.503 -8.754 -0.654 1.00 0.00 C ATOM 469 O VAL A 29 -2.045 -8.829 -1.788 1.00 0.00 O ATOM 470 CB VAL A 29 -3.106 -6.551 0.568 1.00 0.00 C ATOM 471 CG1 VAL A 29 -1.952 -6.866 1.525 1.00 0.00 C ATOM 472 CG2 VAL A 29 -2.619 -5.348 -0.243 1.00 0.00 C ATOM 0 H VAL A 29 -5.035 -8.058 1.078 1.00 0.00 H new ATOM 0 HA VAL A 29 -3.782 -7.210 -1.307 1.00 0.00 H new ATOM 0 HB VAL A 29 -4.006 -6.361 1.153 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -1.721 -5.982 2.120 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -2.240 -7.683 2.186 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -1.072 -7.157 0.951 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -2.303 -4.556 0.436 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -1.778 -5.647 -0.869 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -3.429 -4.983 -0.874 1.00 0.00 H new ATOM 482 N ILE A 30 -2.137 -9.598 0.317 1.00 0.00 N ATOM 483 CA ILE A 30 -1.088 -10.583 0.100 1.00 0.00 C ATOM 484 C ILE A 30 -1.453 -11.492 -1.072 1.00 0.00 C ATOM 485 O ILE A 30 -0.624 -11.691 -1.959 1.00 0.00 O ATOM 486 CB ILE A 30 -0.725 -11.319 1.408 1.00 0.00 C ATOM 487 CG1 ILE A 30 0.034 -10.315 2.299 1.00 0.00 C ATOM 488 CG2 ILE A 30 0.165 -12.546 1.142 1.00 0.00 C ATOM 489 CD1 ILE A 30 0.512 -10.851 3.646 1.00 0.00 C ATOM 0 H ILE A 30 -2.551 -9.614 1.249 1.00 0.00 H new ATOM 0 HA ILE A 30 -0.166 -10.080 -0.191 1.00 0.00 H new ATOM 0 HB ILE A 30 -1.634 -11.679 1.889 1.00 0.00 H new ATOM 0 HG12 ILE A 30 0.900 -9.950 1.747 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -0.613 -9.457 2.480 1.00 0.00 H new ATOM 0 HG21 ILE A 30 0.399 -13.037 2.086 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -0.362 -13.243 0.491 1.00 0.00 H new ATOM 0 HG23 ILE A 30 1.089 -12.227 0.660 1.00 0.00 H new ATOM 0 HD11 ILE A 30 1.032 -10.061 4.188 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -0.346 -11.187 4.229 1.00 0.00 H new ATOM 0 HD13 ILE A 30 1.191 -11.688 3.484 1.00 0.00 H new ATOM 501 N LYS A 31 -2.683 -12.009 -1.110 1.00 0.00 N ATOM 502 CA LYS A 31 -3.117 -12.872 -2.198 1.00 0.00 C ATOM 503 C LYS A 31 -2.998 -12.150 -3.548 1.00 0.00 C ATOM 504 O LYS A 31 -2.315 -12.633 -4.451 1.00 0.00 O ATOM 505 CB LYS A 31 -4.550 -13.359 -1.932 1.00 0.00 C ATOM 506 CG LYS A 31 -4.641 -14.269 -0.696 1.00 0.00 C ATOM 507 CD LYS A 31 -4.139 -15.690 -0.987 1.00 0.00 C ATOM 508 CE LYS A 31 -4.031 -16.523 0.298 1.00 0.00 C ATOM 509 NZ LYS A 31 -5.311 -16.609 1.024 1.00 0.00 N ATOM 0 H LYS A 31 -3.393 -11.842 -0.397 1.00 0.00 H new ATOM 0 HA LYS A 31 -2.466 -13.745 -2.247 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -5.204 -12.498 -1.794 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -4.915 -13.900 -2.805 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -4.055 -13.837 0.115 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -5.675 -14.313 -0.354 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -4.818 -16.181 -1.684 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -3.164 -15.640 -1.473 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -3.690 -17.528 0.048 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -3.276 -16.083 0.950 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -5.323 -17.471 1.606 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -5.419 -15.776 1.637 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -6.096 -16.641 0.342 1.00 0.00 H new ATOM 523 N GLU A 32 -3.644 -10.988 -3.685 1.00 0.00 N ATOM 524 CA GLU A 32 -3.664 -10.218 -4.920 1.00 0.00 C ATOM 525 C GLU A 32 -2.245 -9.870 -5.383 1.00 0.00 C ATOM 526 O GLU A 32 -1.900 -10.072 -6.548 1.00 0.00 O ATOM 527 CB GLU A 32 -4.523 -8.964 -4.716 1.00 0.00 C ATOM 528 CG GLU A 32 -4.854 -8.257 -6.038 1.00 0.00 C ATOM 529 CD GLU A 32 -6.063 -8.866 -6.744 1.00 0.00 C ATOM 530 OE1 GLU A 32 -5.896 -9.951 -7.341 1.00 0.00 O ATOM 531 OE2 GLU A 32 -7.137 -8.227 -6.665 1.00 0.00 O ATOM 0 H GLU A 32 -4.173 -10.555 -2.928 1.00 0.00 H new ATOM 0 HA GLU A 32 -4.107 -10.820 -5.713 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -5.450 -9.240 -4.213 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -3.998 -8.271 -4.058 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -5.045 -7.202 -5.843 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -3.989 -8.307 -6.699 1.00 0.00 H new ATOM 538 N LEU A 33 -1.413 -9.335 -4.487 1.00 0.00 N ATOM 539 CA LEU A 33 -0.055 -8.979 -4.784 1.00 0.00 C ATOM 540 C LEU A 33 0.692 -10.230 -5.243 1.00 0.00 C ATOM 541 O LEU A 33 1.272 -10.206 -6.319 1.00 0.00 O ATOM 542 CB LEU A 33 0.535 -8.359 -3.522 1.00 0.00 C ATOM 543 CG LEU A 33 0.404 -6.830 -3.427 1.00 0.00 C ATOM 544 CD1 LEU A 33 -1.015 -6.299 -3.642 1.00 0.00 C ATOM 545 CD2 LEU A 33 0.905 -6.395 -2.049 1.00 0.00 C ATOM 0 H LEU A 33 -1.684 -9.140 -3.523 1.00 0.00 H new ATOM 0 HA LEU A 33 0.023 -8.252 -5.592 1.00 0.00 H new ATOM 0 HB2 LEU A 33 0.048 -8.805 -2.655 1.00 0.00 H new ATOM 0 HB3 LEU A 33 1.591 -8.622 -3.465 1.00 0.00 H new ATOM 0 HG LEU A 33 1.000 -6.409 -4.237 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -1.014 -5.212 -3.557 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -1.364 -6.585 -4.634 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -1.679 -6.721 -2.888 1.00 0.00 H new ATOM 0 HD21 LEU A 33 0.822 -5.312 -1.957 1.00 0.00 H new ATOM 0 HD22 LEU A 33 0.303 -6.872 -1.276 1.00 0.00 H new ATOM 0 HD23 LEU A 33 1.948 -6.690 -1.931 1.00 0.00 H new ATOM 557 N SER A 34 0.637 -11.328 -4.478 1.00 0.00 N ATOM 558 CA SER A 34 1.308 -12.571 -4.852 1.00 0.00 C ATOM 559 C SER A 34 0.891 -13.037 -6.251 1.00 0.00 C ATOM 560 O SER A 34 1.729 -13.474 -7.036 1.00 0.00 O ATOM 561 CB SER A 34 1.029 -13.675 -3.826 1.00 0.00 C ATOM 562 OG SER A 34 1.476 -13.298 -2.539 1.00 0.00 O ATOM 0 H SER A 34 0.131 -11.376 -3.593 1.00 0.00 H new ATOM 0 HA SER A 34 2.379 -12.367 -4.867 1.00 0.00 H new ATOM 0 HB2 SER A 34 -0.040 -13.886 -3.796 1.00 0.00 H new ATOM 0 HB3 SER A 34 1.527 -14.595 -4.132 1.00 0.00 H new ATOM 0 HG SER A 34 0.898 -12.590 -2.186 1.00 0.00 H new ATOM 568 N LYS A 35 -0.409 -12.965 -6.559 1.00 0.00 N ATOM 569 CA LYS A 35 -0.926 -13.369 -7.860 1.00 0.00 C ATOM 570 C LYS A 35 -0.366 -12.474 -8.968 1.00 0.00 C ATOM 571 O LYS A 35 0.098 -12.968 -9.993 1.00 0.00 O ATOM 572 CB LYS A 35 -2.459 -13.288 -7.856 1.00 0.00 C ATOM 573 CG LYS A 35 -3.099 -14.412 -7.030 1.00 0.00 C ATOM 574 CD LYS A 35 -4.554 -14.087 -6.665 1.00 0.00 C ATOM 575 CE LYS A 35 -5.426 -13.817 -7.898 1.00 0.00 C ATOM 576 NZ LYS A 35 -6.823 -13.550 -7.517 1.00 0.00 N ATOM 0 H LYS A 35 -1.123 -12.627 -5.914 1.00 0.00 H new ATOM 0 HA LYS A 35 -0.614 -14.396 -8.052 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -2.769 -12.323 -7.454 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -2.826 -13.339 -8.881 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -3.064 -15.344 -7.594 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -2.521 -14.569 -6.119 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -4.977 -14.918 -6.100 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -4.575 -13.214 -6.012 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -5.028 -12.965 -8.448 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -5.387 -14.676 -8.569 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -7.388 -13.371 -8.372 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -7.209 -14.374 -7.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -6.860 -12.716 -6.897 1.00 0.00 H new ATOM 590 N THR A 36 -0.435 -11.156 -8.777 1.00 0.00 N ATOM 591 CA THR A 36 -0.006 -10.200 -9.790 1.00 0.00 C ATOM 592 C THR A 36 1.518 -10.162 -9.961 1.00 0.00 C ATOM 593 O THR A 36 2.009 -9.901 -11.058 1.00 0.00 O ATOM 594 CB THR A 36 -0.607 -8.817 -9.499 1.00 0.00 C ATOM 595 OG1 THR A 36 -0.353 -8.413 -8.170 1.00 0.00 O ATOM 596 CG2 THR A 36 -2.124 -8.832 -9.716 1.00 0.00 C ATOM 0 H THR A 36 -0.787 -10.727 -7.921 1.00 0.00 H new ATOM 0 HA THR A 36 -0.390 -10.536 -10.753 1.00 0.00 H new ATOM 0 HB THR A 36 -0.136 -8.114 -10.186 1.00 0.00 H new ATOM 0 HG1 THR A 36 -0.979 -8.864 -7.566 1.00 0.00 H new ATOM 0 HG21 THR A 36 -2.532 -7.843 -9.505 1.00 0.00 H new ATOM 0 HG22 THR A 36 -2.341 -9.101 -10.750 1.00 0.00 H new ATOM 0 HG23 THR A 36 -2.580 -9.563 -9.048 1.00 0.00 H new ATOM 604 N SER A 37 2.287 -10.341 -8.887 1.00 0.00 N ATOM 605 CA SER A 37 3.741 -10.367 -8.915 1.00 0.00 C ATOM 606 C SER A 37 4.252 -11.332 -7.845 1.00 0.00 C ATOM 607 O SER A 37 3.856 -11.240 -6.686 1.00 0.00 O ATOM 608 CB SER A 37 4.268 -8.947 -8.726 1.00 0.00 C ATOM 609 OG SER A 37 3.947 -8.166 -9.863 1.00 0.00 O ATOM 0 H SER A 37 1.902 -10.475 -7.952 1.00 0.00 H new ATOM 0 HA SER A 37 4.106 -10.728 -9.876 1.00 0.00 H new ATOM 0 HB2 SER A 37 3.831 -8.502 -7.832 1.00 0.00 H new ATOM 0 HB3 SER A 37 5.348 -8.966 -8.578 1.00 0.00 H new ATOM 0 HG SER A 37 3.386 -8.690 -10.472 1.00 0.00 H new ATOM 615 N THR A 38 5.156 -12.242 -8.212 1.00 0.00 N ATOM 616 CA THR A 38 5.680 -13.266 -7.325 1.00 0.00 C ATOM 617 C THR A 38 6.606 -12.679 -6.252 1.00 0.00 C ATOM 618 O THR A 38 7.825 -12.827 -6.339 1.00 0.00 O ATOM 619 CB THR A 38 6.405 -14.309 -8.186 1.00 0.00 C ATOM 620 OG1 THR A 38 7.348 -13.639 -8.995 1.00 0.00 O ATOM 621 CG2 THR A 38 5.428 -15.067 -9.091 1.00 0.00 C ATOM 0 H THR A 38 5.548 -12.283 -9.153 1.00 0.00 H new ATOM 0 HA THR A 38 4.859 -13.734 -6.783 1.00 0.00 H new ATOM 0 HB THR A 38 6.888 -15.030 -7.527 1.00 0.00 H new ATOM 0 HG1 THR A 38 7.916 -13.071 -8.433 1.00 0.00 H new ATOM 0 HG21 THR A 38 5.976 -15.797 -9.687 1.00 0.00 H new ATOM 0 HG22 THR A 38 4.688 -15.581 -8.478 1.00 0.00 H new ATOM 0 HG23 THR A 38 4.925 -14.363 -9.753 1.00 0.00 H new ATOM 629 N TRP A 39 6.025 -12.012 -5.255 1.00 0.00 N ATOM 630 CA TRP A 39 6.693 -11.453 -4.095 1.00 0.00 C ATOM 631 C TRP A 39 6.243 -12.262 -2.879 1.00 0.00 C ATOM 632 O TRP A 39 5.074 -12.634 -2.787 1.00 0.00 O ATOM 633 CB TRP A 39 6.304 -9.978 -3.972 1.00 0.00 C ATOM 634 CG TRP A 39 6.751 -9.090 -5.093 1.00 0.00 C ATOM 635 CD1 TRP A 39 7.921 -9.190 -5.765 1.00 0.00 C ATOM 636 CD2 TRP A 39 6.041 -7.972 -5.704 1.00 0.00 C ATOM 637 NE1 TRP A 39 7.985 -8.227 -6.750 1.00 0.00 N ATOM 638 CE2 TRP A 39 6.846 -7.451 -6.761 1.00 0.00 C ATOM 639 CE3 TRP A 39 4.791 -7.353 -5.485 1.00 0.00 C ATOM 640 CZ2 TRP A 39 6.427 -6.385 -7.569 1.00 0.00 C ATOM 641 CZ3 TRP A 39 4.357 -6.289 -6.298 1.00 0.00 C ATOM 642 CH2 TRP A 39 5.169 -5.811 -7.340 1.00 0.00 C ATOM 0 H TRP A 39 5.019 -11.841 -5.241 1.00 0.00 H new ATOM 0 HA TRP A 39 7.779 -11.506 -4.177 1.00 0.00 H new ATOM 0 HB2 TRP A 39 5.219 -9.913 -3.893 1.00 0.00 H new ATOM 0 HB3 TRP A 39 6.715 -9.590 -3.040 1.00 0.00 H new ATOM 0 HD1 TRP A 39 8.692 -9.918 -5.560 1.00 0.00 H new ATOM 0 HE1 TRP A 39 8.772 -8.105 -7.387 1.00 0.00 H new ATOM 0 HE3 TRP A 39 4.158 -7.701 -4.682 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 7.064 -6.011 -8.357 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 3.393 -5.837 -6.119 1.00 0.00 H new ATOM 0 HH2 TRP A 39 4.824 -5.001 -7.965 1.00 0.00 H new ATOM 653 N SER A 40 7.161 -12.572 -1.960 1.00 0.00 N ATOM 654 CA SER A 40 6.813 -13.371 -0.793 1.00 0.00 C ATOM 655 C SER A 40 5.933 -12.562 0.167 1.00 0.00 C ATOM 656 O SER A 40 5.945 -11.331 0.103 1.00 0.00 O ATOM 657 CB SER A 40 8.092 -13.831 -0.079 1.00 0.00 C ATOM 658 OG SER A 40 8.706 -12.750 0.599 1.00 0.00 O ATOM 0 H SER A 40 8.138 -12.284 -2.004 1.00 0.00 H new ATOM 0 HA SER A 40 6.252 -14.246 -1.120 1.00 0.00 H new ATOM 0 HB2 SER A 40 7.853 -14.623 0.631 1.00 0.00 H new ATOM 0 HB3 SER A 40 8.787 -14.253 -0.805 1.00 0.00 H new ATOM 0 HG SER A 40 9.518 -13.065 1.048 1.00 0.00 H new ATOM 664 N PRO A 41 5.204 -13.213 1.088 1.00 0.00 N ATOM 665 CA PRO A 41 4.473 -12.516 2.132 1.00 0.00 C ATOM 666 C PRO A 41 5.392 -11.538 2.870 1.00 0.00 C ATOM 667 O PRO A 41 4.995 -10.412 3.144 1.00 0.00 O ATOM 668 CB PRO A 41 3.928 -13.611 3.051 1.00 0.00 C ATOM 669 CG PRO A 41 3.720 -14.770 2.078 1.00 0.00 C ATOM 670 CD PRO A 41 4.927 -14.640 1.147 1.00 0.00 C ATOM 0 HA PRO A 41 3.659 -11.909 1.736 1.00 0.00 H new ATOM 0 HB2 PRO A 41 4.631 -13.865 3.844 1.00 0.00 H new ATOM 0 HB3 PRO A 41 2.998 -13.312 3.534 1.00 0.00 H new ATOM 0 HG2 PRO A 41 3.704 -15.732 2.590 1.00 0.00 H new ATOM 0 HG3 PRO A 41 2.778 -14.681 1.536 1.00 0.00 H new ATOM 0 HD2 PRO A 41 5.784 -15.193 1.532 1.00 0.00 H new ATOM 0 HD3 PRO A 41 4.707 -15.041 0.157 1.00 0.00 H new ATOM 678 N LYS A 42 6.633 -11.951 3.159 1.00 0.00 N ATOM 679 CA LYS A 42 7.619 -11.103 3.816 1.00 0.00 C ATOM 680 C LYS A 42 7.873 -9.864 2.948 1.00 0.00 C ATOM 681 O LYS A 42 7.787 -8.734 3.429 1.00 0.00 O ATOM 682 CB LYS A 42 8.901 -11.915 4.073 1.00 0.00 C ATOM 683 CG LYS A 42 9.725 -11.433 5.277 1.00 0.00 C ATOM 684 CD LYS A 42 10.172 -9.968 5.167 1.00 0.00 C ATOM 685 CE LYS A 42 11.182 -9.583 6.255 1.00 0.00 C ATOM 686 NZ LYS A 42 12.473 -10.274 6.086 1.00 0.00 N ATOM 0 H LYS A 42 6.976 -12.886 2.940 1.00 0.00 H new ATOM 0 HA LYS A 42 7.253 -10.759 4.783 1.00 0.00 H new ATOM 0 HB2 LYS A 42 8.630 -12.959 4.228 1.00 0.00 H new ATOM 0 HB3 LYS A 42 9.526 -11.876 3.181 1.00 0.00 H new ATOM 0 HG2 LYS A 42 9.134 -11.557 6.184 1.00 0.00 H new ATOM 0 HG3 LYS A 42 10.606 -12.066 5.381 1.00 0.00 H new ATOM 0 HD2 LYS A 42 10.616 -9.799 4.186 1.00 0.00 H new ATOM 0 HD3 LYS A 42 9.300 -9.318 5.238 1.00 0.00 H new ATOM 0 HE2 LYS A 42 11.343 -8.505 6.234 1.00 0.00 H new ATOM 0 HE3 LYS A 42 10.768 -9.824 7.234 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 13.192 -9.818 6.684 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 12.372 -11.271 6.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 12.767 -10.221 5.090 1.00 0.00 H new ATOM 700 N THR A 43 8.180 -10.064 1.661 1.00 0.00 N ATOM 701 CA THR A 43 8.400 -8.971 0.720 1.00 0.00 C ATOM 702 C THR A 43 7.212 -8.003 0.756 1.00 0.00 C ATOM 703 O THR A 43 7.388 -6.795 0.910 1.00 0.00 O ATOM 704 CB THR A 43 8.605 -9.542 -0.693 1.00 0.00 C ATOM 705 OG1 THR A 43 9.596 -10.550 -0.683 1.00 0.00 O ATOM 706 CG2 THR A 43 9.005 -8.464 -1.703 1.00 0.00 C ATOM 0 H THR A 43 8.282 -10.991 1.247 1.00 0.00 H new ATOM 0 HA THR A 43 9.296 -8.418 1.003 1.00 0.00 H new ATOM 0 HB THR A 43 7.647 -9.961 -1.000 1.00 0.00 H new ATOM 0 HG1 THR A 43 9.179 -11.417 -0.497 1.00 0.00 H new ATOM 0 HG21 THR A 43 9.138 -8.917 -2.685 1.00 0.00 H new ATOM 0 HG22 THR A 43 8.223 -7.707 -1.756 1.00 0.00 H new ATOM 0 HG23 THR A 43 9.939 -7.999 -1.388 1.00 0.00 H new ATOM 714 N ILE A 44 5.999 -8.543 0.635 1.00 0.00 N ATOM 715 CA ILE A 44 4.768 -7.770 0.641 1.00 0.00 C ATOM 716 C ILE A 44 4.647 -6.962 1.934 1.00 0.00 C ATOM 717 O ILE A 44 4.406 -5.757 1.896 1.00 0.00 O ATOM 718 CB ILE A 44 3.577 -8.703 0.374 1.00 0.00 C ATOM 719 CG1 ILE A 44 3.658 -9.188 -1.089 1.00 0.00 C ATOM 720 CG2 ILE A 44 2.273 -7.951 0.672 1.00 0.00 C ATOM 721 CD1 ILE A 44 2.791 -10.416 -1.376 1.00 0.00 C ATOM 0 H ILE A 44 5.847 -9.546 0.529 1.00 0.00 H new ATOM 0 HA ILE A 44 4.777 -7.034 -0.163 1.00 0.00 H new ATOM 0 HB ILE A 44 3.602 -9.579 1.022 1.00 0.00 H new ATOM 0 HG12 ILE A 44 3.353 -8.376 -1.750 1.00 0.00 H new ATOM 0 HG13 ILE A 44 4.695 -9.422 -1.329 1.00 0.00 H new ATOM 0 HG21 ILE A 44 1.423 -8.608 0.485 1.00 0.00 H new ATOM 0 HG22 ILE A 44 2.265 -7.636 1.715 1.00 0.00 H new ATOM 0 HG23 ILE A 44 2.203 -7.074 0.028 1.00 0.00 H new ATOM 0 HD11 ILE A 44 2.898 -10.700 -2.423 1.00 0.00 H new ATOM 0 HD12 ILE A 44 3.110 -11.243 -0.741 1.00 0.00 H new ATOM 0 HD13 ILE A 44 1.747 -10.181 -1.169 1.00 0.00 H new ATOM 733 N GLN A 45 4.824 -7.614 3.081 1.00 0.00 N ATOM 734 CA GLN A 45 4.773 -6.960 4.378 1.00 0.00 C ATOM 735 C GLN A 45 5.811 -5.837 4.442 1.00 0.00 C ATOM 736 O GLN A 45 5.515 -4.756 4.947 1.00 0.00 O ATOM 737 CB GLN A 45 4.944 -8.007 5.481 1.00 0.00 C ATOM 738 CG GLN A 45 3.693 -8.901 5.546 1.00 0.00 C ATOM 739 CD GLN A 45 3.898 -10.125 6.435 1.00 0.00 C ATOM 740 OE1 GLN A 45 4.945 -10.301 7.051 1.00 0.00 O ATOM 741 NE2 GLN A 45 2.894 -10.994 6.514 1.00 0.00 N ATOM 0 H GLN A 45 5.008 -8.616 3.132 1.00 0.00 H new ATOM 0 HA GLN A 45 3.802 -6.489 4.531 1.00 0.00 H new ATOM 0 HB2 GLN A 45 5.827 -8.615 5.285 1.00 0.00 H new ATOM 0 HB3 GLN A 45 5.102 -7.515 6.441 1.00 0.00 H new ATOM 0 HG2 GLN A 45 2.853 -8.318 5.923 1.00 0.00 H new ATOM 0 HG3 GLN A 45 3.430 -9.226 4.540 1.00 0.00 H new ATOM 0 HE21 GLN A 45 2.033 -10.827 5.993 1.00 0.00 H new ATOM 0 HE22 GLN A 45 2.985 -11.827 7.095 1.00 0.00 H new ATOM 750 N THR A 46 7.009 -6.071 3.900 1.00 0.00 N ATOM 751 CA THR A 46 8.048 -5.052 3.848 1.00 0.00 C ATOM 752 C THR A 46 7.554 -3.860 3.018 1.00 0.00 C ATOM 753 O THR A 46 7.629 -2.723 3.477 1.00 0.00 O ATOM 754 CB THR A 46 9.365 -5.636 3.310 1.00 0.00 C ATOM 755 OG1 THR A 46 9.699 -6.814 4.017 1.00 0.00 O ATOM 756 CG2 THR A 46 10.520 -4.644 3.477 1.00 0.00 C ATOM 0 H THR A 46 7.280 -6.965 3.490 1.00 0.00 H new ATOM 0 HA THR A 46 8.259 -4.695 4.856 1.00 0.00 H new ATOM 0 HB THR A 46 9.217 -5.850 2.252 1.00 0.00 H new ATOM 0 HG1 THR A 46 9.113 -7.545 3.730 1.00 0.00 H new ATOM 0 HG21 THR A 46 11.438 -5.085 3.088 1.00 0.00 H new ATOM 0 HG22 THR A 46 10.296 -3.729 2.929 1.00 0.00 H new ATOM 0 HG23 THR A 46 10.649 -4.411 4.534 1.00 0.00 H new ATOM 764 N MET A 47 7.038 -4.105 1.808 1.00 0.00 N ATOM 765 CA MET A 47 6.513 -3.045 0.949 1.00 0.00 C ATOM 766 C MET A 47 5.444 -2.239 1.694 1.00 0.00 C ATOM 767 O MET A 47 5.527 -1.012 1.764 1.00 0.00 O ATOM 768 CB MET A 47 5.957 -3.636 -0.356 1.00 0.00 C ATOM 769 CG MET A 47 7.072 -4.151 -1.272 1.00 0.00 C ATOM 770 SD MET A 47 6.487 -5.011 -2.755 1.00 0.00 S ATOM 771 CE MET A 47 8.061 -5.212 -3.618 1.00 0.00 C ATOM 0 H MET A 47 6.974 -5.038 1.402 1.00 0.00 H new ATOM 0 HA MET A 47 7.326 -2.368 0.688 1.00 0.00 H new ATOM 0 HB2 MET A 47 5.273 -4.452 -0.122 1.00 0.00 H new ATOM 0 HB3 MET A 47 5.378 -2.876 -0.881 1.00 0.00 H new ATOM 0 HG2 MET A 47 7.693 -3.309 -1.577 1.00 0.00 H new ATOM 0 HG3 MET A 47 7.710 -4.827 -0.703 1.00 0.00 H new ATOM 0 HE1 MET A 47 7.894 -5.728 -4.564 1.00 0.00 H new ATOM 0 HE2 MET A 47 8.498 -4.232 -3.811 1.00 0.00 H new ATOM 0 HE3 MET A 47 8.742 -5.797 -3.001 1.00 0.00 H new ATOM 781 N LEU A 48 4.449 -2.931 2.259 1.00 0.00 N ATOM 782 CA LEU A 48 3.382 -2.305 3.030 1.00 0.00 C ATOM 783 C LEU A 48 3.983 -1.421 4.124 1.00 0.00 C ATOM 784 O LEU A 48 3.685 -0.231 4.186 1.00 0.00 O ATOM 785 CB LEU A 48 2.465 -3.374 3.644 1.00 0.00 C ATOM 786 CG LEU A 48 1.589 -4.100 2.610 1.00 0.00 C ATOM 787 CD1 LEU A 48 1.048 -5.399 3.214 1.00 0.00 C ATOM 788 CD2 LEU A 48 0.400 -3.236 2.178 1.00 0.00 C ATOM 0 H LEU A 48 4.365 -3.945 2.191 1.00 0.00 H new ATOM 0 HA LEU A 48 2.782 -1.684 2.365 1.00 0.00 H new ATOM 0 HB2 LEU A 48 3.077 -4.108 4.169 1.00 0.00 H new ATOM 0 HB3 LEU A 48 1.821 -2.905 4.388 1.00 0.00 H new ATOM 0 HG LEU A 48 2.210 -4.309 1.739 1.00 0.00 H new ATOM 0 HD11 LEU A 48 0.427 -5.911 2.479 1.00 0.00 H new ATOM 0 HD12 LEU A 48 1.881 -6.043 3.498 1.00 0.00 H new ATOM 0 HD13 LEU A 48 0.450 -5.169 4.096 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -0.198 -3.780 1.447 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -0.214 -3.002 3.047 1.00 0.00 H new ATOM 0 HD23 LEU A 48 0.765 -2.311 1.732 1.00 0.00 H new ATOM 800 N LEU A 49 4.835 -2.000 4.975 1.00 0.00 N ATOM 801 CA LEU A 49 5.493 -1.293 6.066 1.00 0.00 C ATOM 802 C LEU A 49 6.174 -0.027 5.547 1.00 0.00 C ATOM 803 O LEU A 49 5.935 1.059 6.070 1.00 0.00 O ATOM 804 CB LEU A 49 6.470 -2.249 6.773 1.00 0.00 C ATOM 805 CG LEU A 49 7.214 -1.704 8.007 1.00 0.00 C ATOM 806 CD1 LEU A 49 8.399 -0.791 7.664 1.00 0.00 C ATOM 807 CD2 LEU A 49 6.276 -1.015 9.005 1.00 0.00 C ATOM 0 H LEU A 49 5.087 -2.987 4.921 1.00 0.00 H new ATOM 0 HA LEU A 49 4.757 -0.968 6.802 1.00 0.00 H new ATOM 0 HB2 LEU A 49 5.915 -3.136 7.077 1.00 0.00 H new ATOM 0 HB3 LEU A 49 7.214 -2.572 6.045 1.00 0.00 H new ATOM 0 HG LEU A 49 7.628 -2.591 8.487 1.00 0.00 H new ATOM 0 HD11 LEU A 49 8.872 -0.447 8.584 1.00 0.00 H new ATOM 0 HD12 LEU A 49 9.125 -1.345 7.068 1.00 0.00 H new ATOM 0 HD13 LEU A 49 8.043 0.069 7.096 1.00 0.00 H new ATOM 0 HD21 LEU A 49 6.853 -0.650 9.855 1.00 0.00 H new ATOM 0 HD22 LEU A 49 5.778 -0.177 8.518 1.00 0.00 H new ATOM 0 HD23 LEU A 49 5.528 -1.728 9.353 1.00 0.00 H new ATOM 819 N ARG A 50 7.011 -0.156 4.514 1.00 0.00 N ATOM 820 CA ARG A 50 7.727 0.966 3.930 1.00 0.00 C ATOM 821 C ARG A 50 6.756 2.062 3.485 1.00 0.00 C ATOM 822 O ARG A 50 6.925 3.219 3.863 1.00 0.00 O ATOM 823 CB ARG A 50 8.594 0.477 2.762 1.00 0.00 C ATOM 824 CG ARG A 50 9.768 -0.404 3.214 1.00 0.00 C ATOM 825 CD ARG A 50 10.934 0.410 3.788 1.00 0.00 C ATOM 826 NE ARG A 50 12.017 -0.471 4.248 1.00 0.00 N ATOM 827 CZ ARG A 50 12.916 -1.079 3.460 1.00 0.00 C ATOM 828 NH1 ARG A 50 12.889 -0.904 2.134 1.00 0.00 N ATOM 829 NH2 ARG A 50 13.845 -1.867 4.010 1.00 0.00 N ATOM 0 H ARG A 50 7.207 -1.049 4.062 1.00 0.00 H new ATOM 0 HA ARG A 50 8.381 1.401 4.686 1.00 0.00 H new ATOM 0 HB2 ARG A 50 7.972 -0.085 2.066 1.00 0.00 H new ATOM 0 HB3 ARG A 50 8.982 1.339 2.219 1.00 0.00 H new ATOM 0 HG2 ARG A 50 9.418 -1.110 3.967 1.00 0.00 H new ATOM 0 HG3 ARG A 50 10.123 -0.991 2.367 1.00 0.00 H new ATOM 0 HD2 ARG A 50 11.314 1.093 3.028 1.00 0.00 H new ATOM 0 HD3 ARG A 50 10.581 1.022 4.618 1.00 0.00 H new ATOM 0 HE ARG A 50 12.091 -0.634 5.252 1.00 0.00 H new ATOM 0 HH11 ARG A 50 12.180 -0.303 1.713 1.00 0.00 H new ATOM 0 HH12 ARG A 50 13.577 -1.371 1.544 1.00 0.00 H new ATOM 0 HH21 ARG A 50 13.866 -2.002 5.021 1.00 0.00 H new ATOM 0 HH22 ARG A 50 14.533 -2.334 3.419 1.00 0.00 H new ATOM 843 N LEU A 51 5.736 1.723 2.694 1.00 0.00 N ATOM 844 CA LEU A 51 4.773 2.673 2.209 1.00 0.00 C ATOM 845 C LEU A 51 4.046 3.353 3.372 1.00 0.00 C ATOM 846 O LEU A 51 3.909 4.574 3.375 1.00 0.00 O ATOM 847 CB LEU A 51 3.848 1.889 1.282 1.00 0.00 C ATOM 848 CG LEU A 51 4.507 1.495 -0.049 1.00 0.00 C ATOM 849 CD1 LEU A 51 3.632 0.462 -0.765 1.00 0.00 C ATOM 850 CD2 LEU A 51 4.671 2.721 -0.954 1.00 0.00 C ATOM 0 H LEU A 51 5.567 0.768 2.378 1.00 0.00 H new ATOM 0 HA LEU A 51 5.234 3.493 1.659 1.00 0.00 H new ATOM 0 HB2 LEU A 51 3.513 0.987 1.794 1.00 0.00 H new ATOM 0 HB3 LEU A 51 2.960 2.487 1.076 1.00 0.00 H new ATOM 0 HG LEU A 51 5.490 1.075 0.162 1.00 0.00 H new ATOM 0 HD11 LEU A 51 4.099 0.182 -1.709 1.00 0.00 H new ATOM 0 HD12 LEU A 51 3.525 -0.422 -0.137 1.00 0.00 H new ATOM 0 HD13 LEU A 51 2.649 0.890 -0.959 1.00 0.00 H new ATOM 0 HD21 LEU A 51 5.139 2.421 -1.891 1.00 0.00 H new ATOM 0 HD22 LEU A 51 3.692 3.155 -1.160 1.00 0.00 H new ATOM 0 HD23 LEU A 51 5.298 3.460 -0.455 1.00 0.00 H new ATOM 862 N ILE A 52 3.593 2.588 4.369 1.00 0.00 N ATOM 863 CA ILE A 52 2.941 3.143 5.551 1.00 0.00 C ATOM 864 C ILE A 52 3.890 4.149 6.213 1.00 0.00 C ATOM 865 O ILE A 52 3.516 5.297 6.444 1.00 0.00 O ATOM 866 CB ILE A 52 2.520 2.007 6.506 1.00 0.00 C ATOM 867 CG1 ILE A 52 1.375 1.188 5.882 1.00 0.00 C ATOM 868 CG2 ILE A 52 2.077 2.557 7.871 1.00 0.00 C ATOM 869 CD1 ILE A 52 1.246 -0.205 6.506 1.00 0.00 C ATOM 0 H ILE A 52 3.669 1.571 4.377 1.00 0.00 H new ATOM 0 HA ILE A 52 2.029 3.673 5.274 1.00 0.00 H new ATOM 0 HB ILE A 52 3.387 1.365 6.661 1.00 0.00 H new ATOM 0 HG12 ILE A 52 0.436 1.727 6.007 1.00 0.00 H new ATOM 0 HG13 ILE A 52 1.545 1.089 4.810 1.00 0.00 H new ATOM 0 HG21 ILE A 52 1.787 1.730 8.520 1.00 0.00 H new ATOM 0 HG22 ILE A 52 2.901 3.105 8.328 1.00 0.00 H new ATOM 0 HG23 ILE A 52 1.228 3.227 7.735 1.00 0.00 H new ATOM 0 HD11 ILE A 52 0.425 -0.742 6.031 1.00 0.00 H new ATOM 0 HD12 ILE A 52 2.174 -0.757 6.358 1.00 0.00 H new ATOM 0 HD13 ILE A 52 1.047 -0.109 7.573 1.00 0.00 H new ATOM 881 N LYS A 53 5.127 3.729 6.490 1.00 0.00 N ATOM 882 CA LYS A 53 6.144 4.572 7.103 1.00 0.00 C ATOM 883 C LYS A 53 6.330 5.862 6.297 1.00 0.00 C ATOM 884 O LYS A 53 6.434 6.941 6.874 1.00 0.00 O ATOM 885 CB LYS A 53 7.451 3.779 7.248 1.00 0.00 C ATOM 886 CG LYS A 53 8.459 4.510 8.141 1.00 0.00 C ATOM 887 CD LYS A 53 9.741 3.680 8.273 1.00 0.00 C ATOM 888 CE LYS A 53 10.748 4.389 9.185 1.00 0.00 C ATOM 889 NZ LYS A 53 11.981 3.598 9.341 1.00 0.00 N ATOM 0 H LYS A 53 5.449 2.782 6.291 1.00 0.00 H new ATOM 0 HA LYS A 53 5.823 4.869 8.101 1.00 0.00 H new ATOM 0 HB2 LYS A 53 7.236 2.797 7.669 1.00 0.00 H new ATOM 0 HB3 LYS A 53 7.889 3.615 6.263 1.00 0.00 H new ATOM 0 HG2 LYS A 53 8.691 5.487 7.718 1.00 0.00 H new ATOM 0 HG3 LYS A 53 8.026 4.684 9.126 1.00 0.00 H new ATOM 0 HD2 LYS A 53 9.504 2.696 8.678 1.00 0.00 H new ATOM 0 HD3 LYS A 53 10.182 3.522 7.289 1.00 0.00 H new ATOM 0 HE2 LYS A 53 10.991 5.367 8.770 1.00 0.00 H new ATOM 0 HE3 LYS A 53 10.298 4.561 10.163 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 12.642 4.105 9.964 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 11.750 2.674 9.759 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 12.422 3.456 8.410 1.00 0.00 H new ATOM 903 N LYS A 54 6.347 5.759 4.966 1.00 0.00 N ATOM 904 CA LYS A 54 6.487 6.901 4.071 1.00 0.00 C ATOM 905 C LYS A 54 5.164 7.652 3.848 1.00 0.00 C ATOM 906 O LYS A 54 5.064 8.450 2.918 1.00 0.00 O ATOM 907 CB LYS A 54 7.093 6.424 2.746 1.00 0.00 C ATOM 908 CG LYS A 54 8.526 5.889 2.883 1.00 0.00 C ATOM 909 CD LYS A 54 9.522 7.022 3.168 1.00 0.00 C ATOM 910 CE LYS A 54 10.960 6.533 2.968 1.00 0.00 C ATOM 911 NZ LYS A 54 11.924 7.632 3.146 1.00 0.00 N ATOM 0 H LYS A 54 6.263 4.868 4.477 1.00 0.00 H new ATOM 0 HA LYS A 54 7.155 7.622 4.542 1.00 0.00 H new ATOM 0 HB2 LYS A 54 6.460 5.641 2.328 1.00 0.00 H new ATOM 0 HB3 LYS A 54 7.089 7.251 2.036 1.00 0.00 H new ATOM 0 HG2 LYS A 54 8.567 5.156 3.688 1.00 0.00 H new ATOM 0 HG3 LYS A 54 8.812 5.373 1.967 1.00 0.00 H new ATOM 0 HD2 LYS A 54 9.323 7.865 2.506 1.00 0.00 H new ATOM 0 HD3 LYS A 54 9.392 7.381 4.189 1.00 0.00 H new ATOM 0 HE2 LYS A 54 11.178 5.735 3.678 1.00 0.00 H new ATOM 0 HE3 LYS A 54 11.068 6.109 1.970 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 12.890 7.273 3.005 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 11.728 8.381 2.452 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 11.836 8.019 4.107 1.00 0.00 H new ATOM 925 N GLY A 55 4.137 7.408 4.669 1.00 0.00 N ATOM 926 CA GLY A 55 2.879 8.131 4.599 1.00 0.00 C ATOM 927 C GLY A 55 2.113 7.904 3.296 1.00 0.00 C ATOM 928 O GLY A 55 1.382 8.792 2.857 1.00 0.00 O ATOM 0 H GLY A 55 4.163 6.699 5.401 1.00 0.00 H new ATOM 0 HA2 GLY A 55 2.250 7.831 5.437 1.00 0.00 H new ATOM 0 HA3 GLY A 55 3.076 9.197 4.714 1.00 0.00 H new ATOM 932 N ALA A 56 2.275 6.736 2.672 1.00 0.00 N ATOM 933 CA ALA A 56 1.564 6.369 1.453 1.00 0.00 C ATOM 934 C ALA A 56 0.149 5.904 1.794 1.00 0.00 C ATOM 935 O ALA A 56 -0.806 6.179 1.068 1.00 0.00 O ATOM 936 CB ALA A 56 2.283 5.199 0.780 1.00 0.00 C ATOM 0 H ALA A 56 2.912 6.012 3.005 1.00 0.00 H new ATOM 0 HA ALA A 56 1.530 7.238 0.795 1.00 0.00 H new ATOM 0 HB1 ALA A 56 1.754 4.922 -0.132 1.00 0.00 H new ATOM 0 HB2 ALA A 56 3.303 5.493 0.532 1.00 0.00 H new ATOM 0 HB3 ALA A 56 2.306 4.347 1.459 1.00 0.00 H new ATOM 942 N LEU A 57 0.036 5.154 2.892 1.00 0.00 N ATOM 943 CA LEU A 57 -1.186 4.530 3.351 1.00 0.00 C ATOM 944 C LEU A 57 -1.347 4.756 4.853 1.00 0.00 C ATOM 945 O LEU A 57 -0.367 4.965 5.564 1.00 0.00 O ATOM 946 CB LEU A 57 -1.096 3.018 3.091 1.00 0.00 C ATOM 947 CG LEU A 57 -0.716 2.581 1.662 1.00 0.00 C ATOM 948 CD1 LEU A 57 -0.460 1.073 1.676 1.00 0.00 C ATOM 949 CD2 LEU A 57 -1.800 2.899 0.624 1.00 0.00 C ATOM 0 H LEU A 57 0.830 4.963 3.503 1.00 0.00 H new ATOM 0 HA LEU A 57 -2.036 4.961 2.822 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -0.364 2.597 3.781 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -2.060 2.573 3.338 1.00 0.00 H new ATOM 0 HG LEU A 57 0.172 3.141 1.369 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -0.189 0.741 0.674 1.00 0.00 H new ATOM 0 HD12 LEU A 57 0.354 0.849 2.365 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -1.362 0.554 1.999 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -1.470 2.566 -0.360 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -2.722 2.383 0.891 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -1.979 3.974 0.602 1.00 0.00 H new ATOM 961 N ASN A 58 -2.594 4.682 5.313 1.00 0.00 N ATOM 962 CA ASN A 58 -3.037 4.707 6.699 1.00 0.00 C ATOM 963 C ASN A 58 -3.770 3.379 6.872 1.00 0.00 C ATOM 964 O ASN A 58 -4.353 2.910 5.898 1.00 0.00 O ATOM 965 CB ASN A 58 -3.991 5.888 6.912 1.00 0.00 C ATOM 966 CG ASN A 58 -4.803 5.714 8.192 1.00 0.00 C ATOM 967 OD1 ASN A 58 -4.334 6.045 9.273 1.00 0.00 O ATOM 968 ND2 ASN A 58 -6.011 5.165 8.089 1.00 0.00 N ATOM 0 H ASN A 58 -3.382 4.596 4.671 1.00 0.00 H new ATOM 0 HA ASN A 58 -2.223 4.826 7.414 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -3.421 6.816 6.963 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -4.664 5.974 6.059 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -6.574 5.010 8.926 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -6.374 4.900 7.174 1.00 0.00 H new ATOM 975 N HIS A 59 -3.741 2.740 8.044 1.00 0.00 N ATOM 976 CA HIS A 59 -4.411 1.454 8.216 1.00 0.00 C ATOM 977 C HIS A 59 -5.199 1.371 9.516 1.00 0.00 C ATOM 978 O HIS A 59 -4.948 2.128 10.452 1.00 0.00 O ATOM 979 CB HIS A 59 -3.403 0.307 8.098 1.00 0.00 C ATOM 980 CG HIS A 59 -2.344 0.342 9.165 1.00 0.00 C ATOM 981 ND1 HIS A 59 -2.515 -0.293 10.394 1.00 0.00 N ATOM 982 CD2 HIS A 59 -1.130 0.972 9.151 1.00 0.00 C ATOM 983 CE1 HIS A 59 -1.408 0.002 11.082 1.00 0.00 C ATOM 984 NE2 HIS A 59 -0.543 0.751 10.379 1.00 0.00 N ATOM 0 H HIS A 59 -3.266 3.089 8.877 1.00 0.00 H new ATOM 0 HA HIS A 59 -5.142 1.360 7.413 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -3.934 -0.643 8.153 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -2.926 0.350 7.119 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -0.710 1.537 8.332 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -1.228 -0.327 12.095 1.00 0.00 H new ATOM 0 HE2 HIS A 59 0.367 1.089 10.691 1.00 0.00 H new ATOM 992 N HIS A 60 -6.164 0.448 9.539 1.00 0.00 N ATOM 993 CA HIS A 60 -7.003 0.118 10.682 1.00 0.00 C ATOM 994 C HIS A 60 -6.925 -1.398 10.873 1.00 0.00 C ATOM 995 O HIS A 60 -6.823 -2.124 9.887 1.00 0.00 O ATOM 996 CB HIS A 60 -8.445 0.571 10.437 1.00 0.00 C ATOM 997 CG HIS A 60 -9.394 -0.037 11.434 1.00 0.00 C ATOM 998 ND1 HIS A 60 -9.133 0.014 12.804 1.00 0.00 N ATOM 999 CD2 HIS A 60 -10.477 -0.844 11.216 1.00 0.00 C ATOM 1000 CE1 HIS A 60 -10.071 -0.762 13.358 1.00 0.00 C ATOM 1001 NE2 HIS A 60 -10.885 -1.315 12.445 1.00 0.00 N ATOM 0 H HIS A 60 -6.388 -0.114 8.718 1.00 0.00 H new ATOM 0 HA HIS A 60 -6.659 0.631 11.580 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -8.501 1.658 10.497 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -8.748 0.292 9.428 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -10.927 -1.069 10.261 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -10.163 -0.925 14.422 1.00 0.00 H new ATOM 0 HE2 HIS A 60 -11.655 -1.959 12.626 1.00 0.00 H new ATOM 1009 N LYS A 61 -6.957 -1.888 12.114 1.00 0.00 N ATOM 1010 CA LYS A 61 -6.821 -3.308 12.414 1.00 0.00 C ATOM 1011 C LYS A 61 -8.176 -3.983 12.640 1.00 0.00 C ATOM 1012 O LYS A 61 -8.920 -3.601 13.541 1.00 0.00 O ATOM 1013 CB LYS A 61 -5.869 -3.503 13.600 1.00 0.00 C ATOM 1014 CG LYS A 61 -4.507 -2.860 13.298 1.00 0.00 C ATOM 1015 CD LYS A 61 -3.404 -3.481 14.164 1.00 0.00 C ATOM 1016 CE LYS A 61 -2.022 -2.911 13.818 1.00 0.00 C ATOM 1017 NZ LYS A 61 -1.623 -3.218 12.431 1.00 0.00 N ATOM 0 H LYS A 61 -7.079 -1.304 12.941 1.00 0.00 H new ATOM 0 HA LYS A 61 -6.386 -3.801 11.545 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -6.298 -3.058 14.498 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -5.741 -4.566 13.802 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -4.264 -2.991 12.244 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -4.558 -1.787 13.482 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -3.621 -3.297 15.216 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -3.397 -4.562 14.024 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -2.031 -1.830 13.961 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -1.281 -3.318 14.506 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -0.611 -3.013 12.307 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -1.799 -4.224 12.234 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -2.177 -2.634 11.773 1.00 0.00 H new ATOM 1031 N GLU A 62 -8.481 -5.000 11.828 1.00 0.00 N ATOM 1032 CA GLU A 62 -9.684 -5.814 11.909 1.00 0.00 C ATOM 1033 C GLU A 62 -9.276 -7.213 12.382 1.00 0.00 C ATOM 1034 O GLU A 62 -9.222 -8.168 11.605 1.00 0.00 O ATOM 1035 CB GLU A 62 -10.363 -5.848 10.531 1.00 0.00 C ATOM 1036 CG GLU A 62 -11.081 -4.525 10.236 1.00 0.00 C ATOM 1037 CD GLU A 62 -12.366 -4.380 11.048 1.00 0.00 C ATOM 1038 OE1 GLU A 62 -13.342 -5.073 10.689 1.00 0.00 O ATOM 1039 OE2 GLU A 62 -12.352 -3.587 12.015 1.00 0.00 O ATOM 0 H GLU A 62 -7.866 -5.285 11.066 1.00 0.00 H new ATOM 0 HA GLU A 62 -10.401 -5.400 12.618 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -9.617 -6.041 9.760 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -11.078 -6.670 10.495 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -10.414 -3.692 10.460 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -11.315 -4.468 9.173 1.00 0.00 H new ATOM 1046 N GLY A 63 -9.033 -7.315 13.691 1.00 0.00 N ATOM 1047 CA GLY A 63 -8.686 -8.533 14.411 1.00 0.00 C ATOM 1048 C GLY A 63 -7.551 -9.352 13.791 1.00 0.00 C ATOM 1049 O GLY A 63 -6.410 -9.278 14.239 1.00 0.00 O ATOM 0 H GLY A 63 -9.077 -6.503 14.307 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -8.407 -8.267 15.430 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -9.573 -9.163 14.478 1.00 0.00 H new ATOM 1053 N ARG A 64 -7.881 -10.167 12.788 1.00 0.00 N ATOM 1054 CA ARG A 64 -6.960 -11.084 12.131 1.00 0.00 C ATOM 1055 C ARG A 64 -6.172 -10.422 11.002 1.00 0.00 C ATOM 1056 O ARG A 64 -5.081 -10.883 10.673 1.00 0.00 O ATOM 1057 CB ARG A 64 -7.738 -12.287 11.593 1.00 0.00 C ATOM 1058 CG ARG A 64 -8.466 -13.022 12.726 1.00 0.00 C ATOM 1059 CD ARG A 64 -8.954 -14.389 12.241 1.00 0.00 C ATOM 1060 NE ARG A 64 -9.847 -14.277 11.079 1.00 0.00 N ATOM 1061 CZ ARG A 64 -11.138 -13.915 11.123 1.00 0.00 C ATOM 1062 NH1 ARG A 64 -11.719 -13.611 12.288 1.00 0.00 N ATOM 1063 NH2 ARG A 64 -11.844 -13.859 9.989 1.00 0.00 N ATOM 0 H ARG A 64 -8.824 -10.205 12.402 1.00 0.00 H new ATOM 0 HA ARG A 64 -6.232 -11.406 12.876 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -8.460 -11.954 10.848 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -7.055 -12.972 11.091 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -7.797 -13.148 13.577 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -9.312 -12.427 13.071 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -8.096 -15.008 11.980 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -9.477 -14.895 13.052 1.00 0.00 H new ATOM 0 HE ARG A 64 -9.452 -14.492 10.163 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -11.180 -13.653 13.153 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -12.701 -13.337 12.312 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -11.400 -14.091 9.100 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -12.826 -13.585 10.013 1.00 0.00 H new ATOM 1077 N VAL A 65 -6.727 -9.378 10.380 1.00 0.00 N ATOM 1078 CA VAL A 65 -6.099 -8.673 9.269 1.00 0.00 C ATOM 1079 C VAL A 65 -6.198 -7.177 9.531 1.00 0.00 C ATOM 1080 O VAL A 65 -6.932 -6.756 10.422 1.00 0.00 O ATOM 1081 CB VAL A 65 -6.784 -9.049 7.939 1.00 0.00 C ATOM 1082 CG1 VAL A 65 -6.501 -10.505 7.558 1.00 0.00 C ATOM 1083 CG2 VAL A 65 -8.303 -8.823 7.978 1.00 0.00 C ATOM 0 H VAL A 65 -7.637 -8.997 10.640 1.00 0.00 H new ATOM 0 HA VAL A 65 -5.050 -8.958 9.189 1.00 0.00 H new ATOM 0 HB VAL A 65 -6.359 -8.387 7.184 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -6.998 -10.738 6.616 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -5.426 -10.650 7.447 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -6.877 -11.165 8.340 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -8.737 -9.103 7.018 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -8.742 -9.434 8.767 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -8.509 -7.771 8.177 1.00 0.00 H new ATOM 1093 N PHE A 66 -5.454 -6.362 8.782 1.00 0.00 N ATOM 1094 CA PHE A 66 -5.544 -4.916 8.866 1.00 0.00 C ATOM 1095 C PHE A 66 -5.864 -4.365 7.479 1.00 0.00 C ATOM 1096 O PHE A 66 -5.387 -4.881 6.468 1.00 0.00 O ATOM 1097 CB PHE A 66 -4.346 -4.293 9.603 1.00 0.00 C ATOM 1098 CG PHE A 66 -2.924 -4.564 9.140 1.00 0.00 C ATOM 1099 CD1 PHE A 66 -2.371 -5.853 9.284 1.00 0.00 C ATOM 1100 CD2 PHE A 66 -2.057 -3.468 8.965 1.00 0.00 C ATOM 1101 CE1 PHE A 66 -0.983 -6.048 9.185 1.00 0.00 C ATOM 1102 CE2 PHE A 66 -0.664 -3.654 8.925 1.00 0.00 C ATOM 1103 CZ PHE A 66 -0.126 -4.948 9.016 1.00 0.00 C ATOM 0 H PHE A 66 -4.772 -6.694 8.100 1.00 0.00 H new ATOM 0 HA PHE A 66 -6.373 -4.613 9.506 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -4.487 -3.212 9.589 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -4.410 -4.609 10.644 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -3.019 -6.696 9.472 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -2.467 -2.474 8.860 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -0.574 -7.046 9.239 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -0.008 -2.802 8.824 1.00 0.00 H new ATOM 0 HZ PHE A 66 0.942 -5.097 8.956 1.00 0.00 H new ATOM 1113 N VAL A 67 -6.767 -3.384 7.447 1.00 0.00 N ATOM 1114 CA VAL A 67 -7.299 -2.752 6.257 1.00 0.00 C ATOM 1115 C VAL A 67 -6.464 -1.518 5.950 1.00 0.00 C ATOM 1116 O VAL A 67 -6.295 -0.676 6.833 1.00 0.00 O ATOM 1117 CB VAL A 67 -8.781 -2.397 6.479 1.00 0.00 C ATOM 1118 CG1 VAL A 67 -9.397 -1.821 5.196 1.00 0.00 C ATOM 1119 CG2 VAL A 67 -9.585 -3.632 6.910 1.00 0.00 C ATOM 0 H VAL A 67 -7.163 -2.994 8.302 1.00 0.00 H new ATOM 0 HA VAL A 67 -7.247 -3.428 5.404 1.00 0.00 H new ATOM 0 HB VAL A 67 -8.823 -1.649 7.271 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -10.444 -1.576 5.373 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -8.858 -0.919 4.907 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -9.327 -2.558 4.396 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -10.628 -3.353 7.060 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -9.521 -4.396 6.135 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -9.177 -4.025 7.841 1.00 0.00 H new ATOM 1129 N TYR A 68 -5.952 -1.412 4.719 1.00 0.00 N ATOM 1130 CA TYR A 68 -5.146 -0.279 4.287 1.00 0.00 C ATOM 1131 C TYR A 68 -6.019 0.703 3.518 1.00 0.00 C ATOM 1132 O TYR A 68 -6.572 0.355 2.475 1.00 0.00 O ATOM 1133 CB TYR A 68 -4.000 -0.740 3.378 1.00 0.00 C ATOM 1134 CG TYR A 68 -3.211 -1.896 3.942 1.00 0.00 C ATOM 1135 CD1 TYR A 68 -2.275 -1.680 4.967 1.00 0.00 C ATOM 1136 CD2 TYR A 68 -3.580 -3.204 3.594 1.00 0.00 C ATOM 1137 CE1 TYR A 68 -1.767 -2.772 5.690 1.00 0.00 C ATOM 1138 CE2 TYR A 68 -3.093 -4.287 4.333 1.00 0.00 C ATOM 1139 CZ TYR A 68 -2.222 -4.070 5.408 1.00 0.00 C ATOM 1140 OH TYR A 68 -1.860 -5.126 6.187 1.00 0.00 O ATOM 0 H TYR A 68 -6.089 -2.117 3.995 1.00 0.00 H new ATOM 0 HA TYR A 68 -4.727 0.200 5.172 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -4.409 -1.028 2.409 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -3.326 0.099 3.203 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -1.947 -0.677 5.198 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -4.240 -3.375 2.756 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -1.028 -2.613 6.461 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -3.389 -5.293 4.074 1.00 0.00 H new ATOM 0 HH TYR A 68 -1.924 -4.873 7.132 1.00 0.00 H new ATOM 1150 N THR A 69 -6.099 1.932 4.017 1.00 0.00 N ATOM 1151 CA THR A 69 -6.768 3.052 3.387 1.00 0.00 C ATOM 1152 C THR A 69 -5.658 3.929 2.804 1.00 0.00 C ATOM 1153 O THR A 69 -4.755 4.317 3.546 1.00 0.00 O ATOM 1154 CB THR A 69 -7.563 3.838 4.428 1.00 0.00 C ATOM 1155 OG1 THR A 69 -6.734 4.201 5.521 1.00 0.00 O ATOM 1156 CG2 THR A 69 -8.745 3.026 4.963 1.00 0.00 C ATOM 0 H THR A 69 -5.678 2.180 4.913 1.00 0.00 H new ATOM 0 HA THR A 69 -7.466 2.723 2.617 1.00 0.00 H new ATOM 0 HB THR A 69 -7.940 4.732 3.931 1.00 0.00 H new ATOM 0 HG1 THR A 69 -5.798 4.210 5.232 1.00 0.00 H new ATOM 0 HG21 THR A 69 -9.288 3.616 5.701 1.00 0.00 H new ATOM 0 HG22 THR A 69 -9.413 2.771 4.140 1.00 0.00 H new ATOM 0 HG23 THR A 69 -8.377 2.112 5.429 1.00 0.00 H new ATOM 1164 N PRO A 70 -5.673 4.251 1.510 1.00 0.00 N ATOM 1165 CA PRO A 70 -4.588 4.989 0.901 1.00 0.00 C ATOM 1166 C PRO A 70 -4.625 6.477 1.268 1.00 0.00 C ATOM 1167 O PRO A 70 -5.691 7.087 1.296 1.00 0.00 O ATOM 1168 CB PRO A 70 -4.710 4.700 -0.594 1.00 0.00 C ATOM 1169 CG PRO A 70 -6.213 4.496 -0.778 1.00 0.00 C ATOM 1170 CD PRO A 70 -6.680 3.880 0.541 1.00 0.00 C ATOM 0 HA PRO A 70 -3.609 4.678 1.266 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -4.337 5.528 -1.198 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -4.143 3.815 -0.882 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -6.720 5.440 -0.977 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -6.424 3.837 -1.620 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -7.661 4.260 0.827 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -6.769 2.797 0.460 1.00 0.00 H new ATOM 1178 N ASN A 71 -3.454 7.053 1.571 1.00 0.00 N ATOM 1179 CA ASN A 71 -3.307 8.463 1.929 1.00 0.00 C ATOM 1180 C ASN A 71 -3.265 9.330 0.675 1.00 0.00 C ATOM 1181 O ASN A 71 -3.718 10.470 0.677 1.00 0.00 O ATOM 1182 CB ASN A 71 -1.991 8.665 2.692 1.00 0.00 C ATOM 1183 CG ASN A 71 -1.767 10.126 3.076 1.00 0.00 C ATOM 1184 OD1 ASN A 71 -0.750 10.717 2.722 1.00 0.00 O ATOM 1185 ND2 ASN A 71 -2.694 10.722 3.819 1.00 0.00 N ATOM 0 H ASN A 71 -2.571 6.542 1.573 1.00 0.00 H new ATOM 0 HA ASN A 71 -4.158 8.750 2.547 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -1.997 8.051 3.593 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -1.160 8.321 2.077 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -2.570 11.692 4.108 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -3.530 10.209 4.100 1.00 0.00 H new ATOM 1192 N ILE A 72 -2.680 8.770 -0.381 1.00 0.00 N ATOM 1193 CA ILE A 72 -2.463 9.394 -1.674 1.00 0.00 C ATOM 1194 C ILE A 72 -3.351 8.701 -2.706 1.00 0.00 C ATOM 1195 O ILE A 72 -3.838 7.598 -2.458 1.00 0.00 O ATOM 1196 CB ILE A 72 -0.967 9.282 -2.034 1.00 0.00 C ATOM 1197 CG1 ILE A 72 -0.326 7.947 -1.637 1.00 0.00 C ATOM 1198 CG2 ILE A 72 -0.185 10.316 -1.239 1.00 0.00 C ATOM 1199 CD1 ILE A 72 0.841 7.559 -2.540 1.00 0.00 C ATOM 0 H ILE A 72 -2.326 7.814 -0.350 1.00 0.00 H new ATOM 0 HA ILE A 72 -2.727 10.451 -1.654 1.00 0.00 H new ATOM 0 HB ILE A 72 -0.927 9.408 -3.116 1.00 0.00 H new ATOM 0 HG12 ILE A 72 0.023 8.009 -0.606 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -1.082 7.162 -1.671 1.00 0.00 H new ATOM 0 HG21 ILE A 72 0.873 10.242 -1.489 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -0.547 11.314 -1.485 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -0.320 10.133 -0.173 1.00 0.00 H new ATOM 0 HD11 ILE A 72 1.255 6.606 -2.211 1.00 0.00 H new ATOM 0 HD12 ILE A 72 0.491 7.467 -3.568 1.00 0.00 H new ATOM 0 HD13 ILE A 72 1.613 8.327 -2.487 1.00 0.00 H new