USER MOD reduce.3.24.130724 H: found=0, std=0, add=949, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 948 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 72 ASN : amide:sc= -0.532 K(o=-1.8,f=-11!) USER MOD Set 1.2: A 93 THR OG1 : rot -85:sc= 0.0884 USER MOD Set 1.3: A 95 MET CE :methyl -157:sc= -1.38 (180deg=-1.58!) USER MOD Set 2.1: A 74 TYR OH : rot 30:sc= 0.0526 USER MOD Set 2.2: A 108 TYR OH : rot -12:sc= 0.148 USER MOD Set 3.1: A 60 THR OG1 : rot 180:sc= 0.0131 USER MOD Set 3.2: A 62 GLN : amide:sc= -0.097 X(o=-0.084,f=0.013) USER MOD Single : A 16 ASN : amide:sc= -0.745 K(o=-0.74,f=-2.4!) USER MOD Single : A 20 THR OG1 : rot 84:sc= 0.292 USER MOD Single : A 21 GLN : amide:sc= -2.17! K(o=-2.2!,f=-0.071) USER MOD Single : A 26 THR OG1 : rot -90:sc= 0.0546 USER MOD Single : A 27 SER OG : rot 21:sc= 0.585 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 GLN : amide:sc= -0.465 X(o=-0.46,f=-0.73) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 THR OG1 : rot 27:sc= 0.562 USER MOD Single : A 55 THR OG1 : rot -0:sc= 0.946 USER MOD Single : A 57 SER OG : rot 180:sc= 0.129 USER MOD Single : A 58 THR OG1 : rot -90:sc= 1.22 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 64 HIS : no HD1:sc= 0 X(o=0,f=-0.011) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 2:sc= 0.83 USER MOD Single : A 75 MET CE :methyl 149:sc= -0.109 (180deg=-2.18!) USER MOD Single : A 77 SER OG : rot 180:sc= 0.0137 USER MOD Single : A 78 TYR OH : rot 60:sc= -0.0541 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 SER OG : rot 1:sc= 0.0602 USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 110 ASN : amide:sc= 0.671 K(o=0.67,f=0) USER MOD Single : A 113 THR OG1 : rot 180:sc= 0.0786 USER MOD Single : A 114 HIS : no HE2:sc= 0.21 K(o=0.21,f=-2.8!) USER MOD Single : A 118 THR OG1 : rot 5:sc= 0.285 USER MOD Single : A 121 GLN : amide:sc= 0.596 K(o=0.6,f=-0.004) USER MOD Single : A 122 MET CE :methyl -178:sc= 0 (180deg=-0.00457) USER MOD Single : A 126 GLN : amide:sc= -0.16 K(o=-0.16,f=-2.3!) USER MOD Single : A 127 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 128 MET CE :methyl -160:sc= -0.0141 (180deg=-0.444) USER MOD Single : A 129 GLN : amide:sc= -0.0358 X(o=-0.036,f=-0.43) USER MOD Single : A 134 ASN : amide:sc= 0.69 K(o=0.69,f=0) USER MOD Single : A 137 THR OG1 : rot 51:sc= 0.19 USER MOD Single : A 139 THR OG1 : rot 180:sc= 0 USER MOD Single : A 143 SER OG : rot 180:sc= 0 USER MOD Single : A 144 THR OG1 : rot 160:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 201 N PHE A 15 13.686 4.570 -1.358 1.00 0.00 N ATOM 202 CA PHE A 15 12.817 4.633 -0.188 1.00 0.00 C ATOM 203 C PHE A 15 13.178 5.772 0.780 1.00 0.00 C ATOM 204 O PHE A 15 13.894 5.556 1.762 1.00 0.00 O ATOM 205 CB PHE A 15 12.740 3.257 0.496 1.00 0.00 C ATOM 206 CG PHE A 15 12.267 2.110 -0.386 1.00 0.00 C ATOM 207 CD1 PHE A 15 11.048 2.213 -1.080 1.00 0.00 C ATOM 208 CD2 PHE A 15 13.006 0.913 -0.477 1.00 0.00 C ATOM 209 CE1 PHE A 15 10.524 1.113 -1.771 1.00 0.00 C ATOM 210 CE2 PHE A 15 12.492 -0.187 -1.192 1.00 0.00 C ATOM 211 CZ PHE A 15 11.229 -0.100 -1.804 1.00 0.00 C ATOM 0 HA PHE A 15 11.816 4.886 -0.537 1.00 0.00 H new ATOM 0 HB2 PHE A 15 13.727 3.009 0.885 1.00 0.00 H new ATOM 0 HB3 PHE A 15 12.070 3.334 1.352 1.00 0.00 H new ATOM 0 HD1 PHE A 15 10.511 3.150 -1.080 1.00 0.00 H new ATOM 0 HD2 PHE A 15 13.970 0.839 0.003 1.00 0.00 H new ATOM 0 HE1 PHE A 15 9.575 1.199 -2.280 1.00 0.00 H new ATOM 0 HE2 PHE A 15 13.068 -1.097 -1.270 1.00 0.00 H new ATOM 0 HZ PHE A 15 10.804 -0.962 -2.297 1.00 0.00 H new ATOM 221 N ASN A 16 12.642 6.978 0.539 1.00 0.00 N ATOM 222 CA ASN A 16 12.974 8.203 1.285 1.00 0.00 C ATOM 223 C ASN A 16 11.754 8.727 2.064 1.00 0.00 C ATOM 224 O ASN A 16 10.643 8.667 1.536 1.00 0.00 O ATOM 225 CB ASN A 16 13.455 9.276 0.281 1.00 0.00 C ATOM 226 CG ASN A 16 14.535 10.202 0.843 1.00 0.00 C ATOM 227 OD1 ASN A 16 15.357 9.811 1.661 1.00 0.00 O ATOM 228 ND2 ASN A 16 14.545 11.452 0.428 1.00 0.00 N ATOM 0 H ASN A 16 11.951 7.133 -0.195 1.00 0.00 H new ATOM 0 HA ASN A 16 13.759 7.978 2.007 1.00 0.00 H new ATOM 0 HB2 ASN A 16 13.841 8.781 -0.610 1.00 0.00 H new ATOM 0 HB3 ASN A 16 12.601 9.876 -0.033 1.00 0.00 H new ATOM 0 HD21 ASN A 16 15.242 12.104 0.789 1.00 0.00 H new ATOM 0 HD22 ASN A 16 13.856 11.768 -0.254 1.00 0.00 H new ATOM 235 N PRO A 17 11.920 9.300 3.272 1.00 0.00 N ATOM 236 CA PRO A 17 10.825 9.837 4.088 1.00 0.00 C ATOM 237 C PRO A 17 10.457 11.279 3.706 1.00 0.00 C ATOM 238 O PRO A 17 9.355 11.744 4.011 1.00 0.00 O ATOM 239 CB PRO A 17 11.351 9.785 5.525 1.00 0.00 C ATOM 240 CG PRO A 17 12.842 10.044 5.330 1.00 0.00 C ATOM 241 CD PRO A 17 13.154 9.310 4.041 1.00 0.00 C ATOM 0 HA PRO A 17 9.912 9.259 3.944 1.00 0.00 H new ATOM 0 HB2 PRO A 17 10.885 10.541 6.157 1.00 0.00 H new ATOM 0 HB3 PRO A 17 11.163 8.819 5.993 1.00 0.00 H new ATOM 0 HG2 PRO A 17 13.059 11.109 5.250 1.00 0.00 H new ATOM 0 HG3 PRO A 17 13.430 9.661 6.164 1.00 0.00 H new ATOM 0 HD2 PRO A 17 13.951 9.810 3.491 1.00 0.00 H new ATOM 0 HD3 PRO A 17 13.495 8.295 4.244 1.00 0.00 H new ATOM 249 N ALA A 18 11.346 11.996 3.008 1.00 0.00 N ATOM 250 CA ALA A 18 11.114 13.369 2.552 1.00 0.00 C ATOM 251 C ALA A 18 9.926 13.488 1.580 1.00 0.00 C ATOM 252 O ALA A 18 9.495 14.599 1.262 1.00 0.00 O ATOM 253 CB ALA A 18 12.384 13.909 1.887 1.00 0.00 C ATOM 0 H ALA A 18 12.260 11.632 2.741 1.00 0.00 H new ATOM 0 HA ALA A 18 10.862 13.961 3.432 1.00 0.00 H new ATOM 0 HB1 ALA A 18 12.211 14.930 1.548 1.00 0.00 H new ATOM 0 HB2 ALA A 18 13.203 13.899 2.606 1.00 0.00 H new ATOM 0 HB3 ALA A 18 12.642 13.282 1.034 1.00 0.00 H new ATOM 259 N ALA A 19 9.394 12.364 1.103 1.00 0.00 N ATOM 260 CA ALA A 19 8.334 12.238 0.116 1.00 0.00 C ATOM 261 C ALA A 19 6.967 11.925 0.752 1.00 0.00 C ATOM 262 O ALA A 19 5.981 11.875 0.021 1.00 0.00 O ATOM 263 CB ALA A 19 8.787 11.141 -0.850 1.00 0.00 C ATOM 0 H ALA A 19 9.720 11.452 1.423 1.00 0.00 H new ATOM 0 HA ALA A 19 8.178 13.182 -0.406 1.00 0.00 H new ATOM 0 HB1 ALA A 19 8.029 10.998 -1.620 1.00 0.00 H new ATOM 0 HB2 ALA A 19 9.728 11.433 -1.317 1.00 0.00 H new ATOM 0 HB3 ALA A 19 8.928 10.209 -0.302 1.00 0.00 H new ATOM 269 N THR A 20 6.866 11.752 2.078 1.00 0.00 N ATOM 270 CA THR A 20 5.600 11.449 2.750 1.00 0.00 C ATOM 271 C THR A 20 4.566 12.563 2.536 1.00 0.00 C ATOM 272 O THR A 20 3.518 12.298 1.965 1.00 0.00 O ATOM 273 CB THR A 20 5.875 11.132 4.228 1.00 0.00 C ATOM 274 OG1 THR A 20 6.811 10.073 4.305 1.00 0.00 O ATOM 275 CG2 THR A 20 4.637 10.744 5.035 1.00 0.00 C ATOM 0 H THR A 20 7.662 11.819 2.712 1.00 0.00 H new ATOM 0 HA THR A 20 5.149 10.562 2.306 1.00 0.00 H new ATOM 0 HB THR A 20 6.255 12.054 4.668 1.00 0.00 H new ATOM 0 HG1 THR A 20 7.719 10.433 4.224 1.00 0.00 H new ATOM 0 HG21 THR A 20 4.925 10.538 6.066 1.00 0.00 H new ATOM 0 HG22 THR A 20 3.919 11.564 5.016 1.00 0.00 H new ATOM 0 HG23 THR A 20 4.183 9.854 4.600 1.00 0.00 H new ATOM 283 N GLN A 21 4.863 13.813 2.906 1.00 0.00 N ATOM 284 CA GLN A 21 3.986 14.982 2.744 1.00 0.00 C ATOM 285 C GLN A 21 3.405 15.178 1.331 1.00 0.00 C ATOM 286 O GLN A 21 2.417 15.892 1.172 1.00 0.00 O ATOM 287 CB GLN A 21 4.728 16.257 3.186 1.00 0.00 C ATOM 288 CG GLN A 21 6.152 16.387 2.613 1.00 0.00 C ATOM 289 CD GLN A 21 7.219 15.963 3.620 1.00 0.00 C ATOM 290 OE1 GLN A 21 7.692 16.744 4.439 1.00 0.00 O ATOM 291 NE2 GLN A 21 7.684 14.725 3.566 1.00 0.00 N ATOM 0 H GLN A 21 5.754 14.049 3.343 1.00 0.00 H new ATOM 0 HA GLN A 21 3.125 14.785 3.383 1.00 0.00 H new ATOM 0 HB2 GLN A 21 4.145 17.127 2.883 1.00 0.00 H new ATOM 0 HB3 GLN A 21 4.783 16.273 4.274 1.00 0.00 H new ATOM 0 HG2 GLN A 21 6.238 15.775 1.715 1.00 0.00 H new ATOM 0 HG3 GLN A 21 6.328 17.420 2.312 1.00 0.00 H new ATOM 0 HE21 GLN A 21 7.300 14.065 2.890 1.00 0.00 H new ATOM 0 HE22 GLN A 21 8.426 14.431 4.201 1.00 0.00 H new ATOM 300 N LEU A 22 3.984 14.554 0.304 1.00 0.00 N ATOM 301 CA LEU A 22 3.553 14.649 -1.088 1.00 0.00 C ATOM 302 C LEU A 22 2.350 13.710 -1.370 1.00 0.00 C ATOM 303 O LEU A 22 1.938 13.524 -2.517 1.00 0.00 O ATOM 304 CB LEU A 22 4.777 14.347 -1.984 1.00 0.00 C ATOM 305 CG LEU A 22 5.805 15.479 -2.180 1.00 0.00 C ATOM 306 CD1 LEU A 22 6.458 15.993 -0.900 1.00 0.00 C ATOM 307 CD2 LEU A 22 6.911 14.956 -3.107 1.00 0.00 C ATOM 0 H LEU A 22 4.795 13.947 0.425 1.00 0.00 H new ATOM 0 HA LEU A 22 3.192 15.653 -1.311 1.00 0.00 H new ATOM 0 HB2 LEU A 22 5.298 13.487 -1.564 1.00 0.00 H new ATOM 0 HB3 LEU A 22 4.411 14.050 -2.967 1.00 0.00 H new ATOM 0 HG LEU A 22 5.254 16.323 -2.594 1.00 0.00 H new ATOM 0 HD11 LEU A 22 7.164 16.786 -1.145 1.00 0.00 H new ATOM 0 HD12 LEU A 22 5.691 16.384 -0.232 1.00 0.00 H new ATOM 0 HD13 LEU A 22 6.986 15.176 -0.408 1.00 0.00 H new ATOM 0 HD21 LEU A 22 7.654 15.738 -3.264 1.00 0.00 H new ATOM 0 HD22 LEU A 22 7.388 14.088 -2.651 1.00 0.00 H new ATOM 0 HD23 LEU A 22 6.478 14.670 -4.065 1.00 0.00 H new ATOM 319 N LEU A 23 1.797 13.041 -0.355 1.00 0.00 N ATOM 320 CA LEU A 23 0.752 12.023 -0.485 1.00 0.00 C ATOM 321 C LEU A 23 -0.655 12.635 -0.349 1.00 0.00 C ATOM 322 O LEU A 23 -1.385 12.273 0.575 1.00 0.00 O ATOM 323 CB LEU A 23 1.002 10.927 0.573 1.00 0.00 C ATOM 324 CG LEU A 23 2.047 9.865 0.214 1.00 0.00 C ATOM 325 CD1 LEU A 23 2.486 9.097 1.470 1.00 0.00 C ATOM 326 CD2 LEU A 23 1.420 8.899 -0.801 1.00 0.00 C ATOM 0 H LEU A 23 2.075 13.199 0.614 1.00 0.00 H new ATOM 0 HA LEU A 23 0.796 11.582 -1.481 1.00 0.00 H new ATOM 0 HB2 LEU A 23 1.309 11.410 1.501 1.00 0.00 H new ATOM 0 HB3 LEU A 23 0.057 10.423 0.774 1.00 0.00 H new ATOM 0 HG LEU A 23 2.928 10.343 -0.214 1.00 0.00 H new ATOM 0 HD11 LEU A 23 3.228 8.347 1.197 1.00 0.00 H new ATOM 0 HD12 LEU A 23 2.920 9.792 2.188 1.00 0.00 H new ATOM 0 HD13 LEU A 23 1.622 8.606 1.917 1.00 0.00 H new ATOM 0 HD21 LEU A 23 2.147 8.133 -1.072 1.00 0.00 H new ATOM 0 HD22 LEU A 23 0.542 8.427 -0.360 1.00 0.00 H new ATOM 0 HD23 LEU A 23 1.125 9.450 -1.694 1.00 0.00 H new ATOM 338 N ASP A 24 -1.047 13.555 -1.241 1.00 0.00 N ATOM 339 CA ASP A 24 -2.363 14.220 -1.158 1.00 0.00 C ATOM 340 C ASP A 24 -3.152 14.127 -2.462 1.00 0.00 C ATOM 341 O ASP A 24 -4.279 13.647 -2.445 1.00 0.00 O ATOM 342 CB ASP A 24 -2.195 15.667 -0.684 1.00 0.00 C ATOM 343 CG ASP A 24 -3.524 16.332 -0.303 1.00 0.00 C ATOM 344 OD1 ASP A 24 -4.370 16.586 -1.194 1.00 0.00 O ATOM 345 OD2 ASP A 24 -3.692 16.665 0.891 1.00 0.00 O ATOM 0 H ASP A 24 -0.475 13.858 -2.029 1.00 0.00 H new ATOM 0 HA ASP A 24 -2.959 13.686 -0.418 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -1.526 15.686 0.176 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -1.717 16.248 -1.472 1.00 0.00 H new ATOM 350 N ASP A 25 -2.567 14.514 -3.601 1.00 0.00 N ATOM 351 CA ASP A 25 -3.256 14.447 -4.901 1.00 0.00 C ATOM 352 C ASP A 25 -3.027 13.100 -5.598 1.00 0.00 C ATOM 353 O ASP A 25 -3.537 12.874 -6.697 1.00 0.00 O ATOM 354 CB ASP A 25 -2.767 15.543 -5.864 1.00 0.00 C ATOM 355 CG ASP A 25 -3.106 16.974 -5.458 1.00 0.00 C ATOM 356 OD1 ASP A 25 -2.597 17.439 -4.414 1.00 0.00 O ATOM 357 OD2 ASP A 25 -3.748 17.690 -6.265 1.00 0.00 O ATOM 0 H ASP A 25 -1.616 14.878 -3.652 1.00 0.00 H new ATOM 0 HA ASP A 25 -4.314 14.583 -4.677 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -1.685 15.459 -5.963 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -3.193 15.353 -6.849 1.00 0.00 H new ATOM 362 N THR A 26 -2.194 12.232 -5.027 1.00 0.00 N ATOM 363 CA THR A 26 -1.768 10.974 -5.633 1.00 0.00 C ATOM 364 C THR A 26 -2.899 9.941 -5.636 1.00 0.00 C ATOM 365 O THR A 26 -4.031 10.229 -5.251 1.00 0.00 O ATOM 366 CB THR A 26 -0.484 10.476 -4.937 1.00 0.00 C ATOM 367 OG1 THR A 26 -0.342 10.920 -3.600 1.00 0.00 O ATOM 368 CG2 THR A 26 0.774 10.910 -5.680 1.00 0.00 C ATOM 0 H THR A 26 -1.786 12.389 -4.105 1.00 0.00 H new ATOM 0 HA THR A 26 -1.527 11.139 -6.683 1.00 0.00 H new ATOM 0 HB THR A 26 -0.594 9.392 -4.944 1.00 0.00 H new ATOM 0 HG1 THR A 26 0.144 11.771 -3.588 1.00 0.00 H new ATOM 0 HG21 THR A 26 1.654 10.538 -5.155 1.00 0.00 H new ATOM 0 HG22 THR A 26 0.757 10.505 -6.692 1.00 0.00 H new ATOM 0 HG23 THR A 26 0.812 11.998 -5.726 1.00 0.00 H new ATOM 376 N SER A 27 -2.643 8.718 -6.106 1.00 0.00 N ATOM 377 CA SER A 27 -3.668 7.690 -6.067 1.00 0.00 C ATOM 378 C SER A 27 -3.109 6.311 -5.760 1.00 0.00 C ATOM 379 O SER A 27 -3.472 5.769 -4.725 1.00 0.00 O ATOM 380 CB SER A 27 -4.501 7.774 -7.341 1.00 0.00 C ATOM 381 OG SER A 27 -5.477 8.787 -7.207 1.00 0.00 O ATOM 0 H SER A 27 -1.753 8.426 -6.509 1.00 0.00 H new ATOM 0 HA SER A 27 -4.338 7.874 -5.227 1.00 0.00 H new ATOM 0 HB2 SER A 27 -3.857 7.987 -8.194 1.00 0.00 H new ATOM 0 HB3 SER A 27 -4.982 6.816 -7.536 1.00 0.00 H new ATOM 0 HG SER A 27 -5.202 9.415 -6.507 1.00 0.00 H new ATOM 387 N TRP A 28 -2.172 5.804 -6.559 1.00 0.00 N ATOM 388 CA TRP A 28 -1.468 4.531 -6.374 1.00 0.00 C ATOM 389 C TRP A 28 -2.386 3.319 -6.599 1.00 0.00 C ATOM 390 O TRP A 28 -3.614 3.424 -6.643 1.00 0.00 O ATOM 391 CB TRP A 28 -0.752 4.431 -5.001 1.00 0.00 C ATOM 392 CG TRP A 28 0.000 5.627 -4.483 1.00 0.00 C ATOM 393 CD1 TRP A 28 -0.563 6.622 -3.768 1.00 0.00 C ATOM 394 CD2 TRP A 28 1.415 5.989 -4.600 1.00 0.00 C ATOM 395 NE1 TRP A 28 0.377 7.580 -3.467 1.00 0.00 N ATOM 396 CE2 TRP A 28 1.606 7.273 -4.003 1.00 0.00 C ATOM 397 CE3 TRP A 28 2.543 5.409 -5.212 1.00 0.00 C ATOM 398 CZ2 TRP A 28 2.829 7.961 -4.057 1.00 0.00 C ATOM 399 CZ3 TRP A 28 3.768 6.095 -5.301 1.00 0.00 C ATOM 400 CH2 TRP A 28 3.919 7.365 -4.714 1.00 0.00 C ATOM 0 H TRP A 28 -1.865 6.295 -7.399 1.00 0.00 H new ATOM 0 HA TRP A 28 -0.695 4.512 -7.142 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -1.503 4.166 -4.257 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -0.050 3.599 -5.055 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -1.602 6.661 -3.474 1.00 0.00 H new ATOM 0 HE1 TRP A 28 0.186 8.416 -2.914 1.00 0.00 H new ATOM 0 HE3 TRP A 28 2.466 4.413 -5.623 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 2.930 8.934 -3.600 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 4.598 5.644 -5.824 1.00 0.00 H new ATOM 0 HH2 TRP A 28 4.867 7.879 -4.768 1.00 0.00 H new ATOM 411 N VAL A 29 -1.789 2.140 -6.745 1.00 0.00 N ATOM 412 CA VAL A 29 -2.472 0.859 -6.908 1.00 0.00 C ATOM 413 C VAL A 29 -1.634 -0.164 -6.147 1.00 0.00 C ATOM 414 O VAL A 29 -0.408 -0.084 -6.178 1.00 0.00 O ATOM 415 CB VAL A 29 -2.600 0.524 -8.410 1.00 0.00 C ATOM 416 CG1 VAL A 29 -3.144 -0.883 -8.680 1.00 0.00 C ATOM 417 CG2 VAL A 29 -3.456 1.551 -9.170 1.00 0.00 C ATOM 0 H VAL A 29 -0.773 2.046 -6.753 1.00 0.00 H new ATOM 0 HA VAL A 29 -3.488 0.870 -6.514 1.00 0.00 H new ATOM 0 HB VAL A 29 -1.577 0.565 -8.783 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -3.207 -1.049 -9.756 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -2.476 -1.622 -8.237 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -4.136 -0.980 -8.239 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -3.514 1.269 -10.221 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -4.459 1.575 -8.744 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -3.002 2.538 -9.084 1.00 0.00 H new ATOM 427 N LEU A 30 -2.270 -1.070 -5.404 1.00 0.00 N ATOM 428 CA LEU A 30 -1.596 -2.160 -4.710 1.00 0.00 C ATOM 429 C LEU A 30 -1.319 -3.234 -5.738 1.00 0.00 C ATOM 430 O LEU A 30 -2.232 -3.646 -6.461 1.00 0.00 O ATOM 431 CB LEU A 30 -2.520 -2.738 -3.638 1.00 0.00 C ATOM 432 CG LEU A 30 -1.984 -3.872 -2.740 1.00 0.00 C ATOM 433 CD1 LEU A 30 -2.130 -5.276 -3.337 1.00 0.00 C ATOM 434 CD2 LEU A 30 -0.550 -3.650 -2.280 1.00 0.00 C ATOM 0 H LEU A 30 -3.281 -1.065 -5.267 1.00 0.00 H new ATOM 0 HA LEU A 30 -0.679 -1.807 -4.238 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -2.829 -1.918 -2.989 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -3.417 -3.105 -4.136 1.00 0.00 H new ATOM 0 HG LEU A 30 -2.635 -3.826 -1.867 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -1.728 -6.011 -2.640 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -3.184 -5.486 -3.519 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -1.582 -5.330 -4.278 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -0.236 -4.484 -1.653 1.00 0.00 H new ATOM 0 HD22 LEU A 30 0.105 -3.583 -3.149 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -0.490 -2.724 -1.709 1.00 0.00 H new ATOM 446 N SER A 31 -0.088 -3.733 -5.754 1.00 0.00 N ATOM 447 CA SER A 31 0.325 -4.713 -6.733 1.00 0.00 C ATOM 448 C SER A 31 0.925 -5.965 -6.090 1.00 0.00 C ATOM 449 O SER A 31 0.968 -7.011 -6.741 1.00 0.00 O ATOM 450 CB SER A 31 1.287 -3.969 -7.676 1.00 0.00 C ATOM 451 OG SER A 31 1.774 -4.716 -8.771 1.00 0.00 O ATOM 0 H SER A 31 0.641 -3.468 -5.092 1.00 0.00 H new ATOM 0 HA SER A 31 -0.521 -5.110 -7.294 1.00 0.00 H new ATOM 0 HB2 SER A 31 0.778 -3.085 -8.061 1.00 0.00 H new ATOM 0 HB3 SER A 31 2.138 -3.618 -7.093 1.00 0.00 H new ATOM 0 HG SER A 31 2.373 -4.157 -9.308 1.00 0.00 H new ATOM 457 N ALA A 32 1.331 -5.925 -4.815 1.00 0.00 N ATOM 458 CA ALA A 32 1.837 -7.107 -4.120 1.00 0.00 C ATOM 459 C ALA A 32 1.726 -6.944 -2.607 1.00 0.00 C ATOM 460 O ALA A 32 1.695 -5.823 -2.097 1.00 0.00 O ATOM 461 CB ALA A 32 3.302 -7.349 -4.500 1.00 0.00 C ATOM 0 H ALA A 32 1.317 -5.080 -4.244 1.00 0.00 H new ATOM 0 HA ALA A 32 1.232 -7.961 -4.422 1.00 0.00 H new ATOM 0 HB1 ALA A 32 3.672 -8.231 -3.978 1.00 0.00 H new ATOM 0 HB2 ALA A 32 3.378 -7.505 -5.576 1.00 0.00 H new ATOM 0 HB3 ALA A 32 3.899 -6.483 -4.216 1.00 0.00 H new ATOM 467 N TRP A 33 1.723 -8.064 -1.887 1.00 0.00 N ATOM 468 CA TRP A 33 1.556 -8.146 -0.447 1.00 0.00 C ATOM 469 C TRP A 33 2.526 -9.192 0.099 1.00 0.00 C ATOM 470 O TRP A 33 2.219 -10.386 0.114 1.00 0.00 O ATOM 471 CB TRP A 33 0.090 -8.483 -0.129 1.00 0.00 C ATOM 472 CG TRP A 33 -0.347 -8.327 1.292 1.00 0.00 C ATOM 473 CD1 TRP A 33 0.426 -8.443 2.395 1.00 0.00 C ATOM 474 CD2 TRP A 33 -1.679 -7.993 1.779 1.00 0.00 C ATOM 475 NE1 TRP A 33 -0.339 -8.250 3.522 1.00 0.00 N ATOM 476 CE2 TRP A 33 -1.646 -7.973 3.204 1.00 0.00 C ATOM 477 CE3 TRP A 33 -2.910 -7.699 1.156 1.00 0.00 C ATOM 478 CZ2 TRP A 33 -2.779 -7.709 3.977 1.00 0.00 C ATOM 479 CZ3 TRP A 33 -4.056 -7.418 1.920 1.00 0.00 C ATOM 480 CH2 TRP A 33 -3.989 -7.438 3.324 1.00 0.00 C ATOM 0 H TRP A 33 1.843 -8.981 -2.318 1.00 0.00 H new ATOM 0 HA TRP A 33 1.784 -7.194 0.033 1.00 0.00 H new ATOM 0 HB2 TRP A 33 -0.546 -7.852 -0.751 1.00 0.00 H new ATOM 0 HB3 TRP A 33 -0.094 -9.515 -0.429 1.00 0.00 H new ATOM 0 HD1 TRP A 33 1.485 -8.655 2.392 1.00 0.00 H new ATOM 0 HE1 TRP A 33 0.020 -8.306 4.475 1.00 0.00 H new ATOM 0 HE3 TRP A 33 -2.973 -7.690 0.078 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 -2.724 -7.714 5.056 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 -4.989 -7.186 1.428 1.00 0.00 H new ATOM 0 HH2 TRP A 33 -4.878 -7.243 3.905 1.00 0.00 H new ATOM 491 N LYS A 34 3.704 -8.771 0.560 1.00 0.00 N ATOM 492 CA LYS A 34 4.651 -9.673 1.204 1.00 0.00 C ATOM 493 C LYS A 34 4.162 -10.053 2.593 1.00 0.00 C ATOM 494 O LYS A 34 3.551 -9.243 3.289 1.00 0.00 O ATOM 495 CB LYS A 34 6.044 -9.029 1.299 1.00 0.00 C ATOM 496 CG LYS A 34 7.130 -10.064 0.980 1.00 0.00 C ATOM 497 CD LYS A 34 7.343 -10.102 -0.540 1.00 0.00 C ATOM 498 CE LYS A 34 8.448 -9.114 -0.909 1.00 0.00 C ATOM 499 NZ LYS A 34 8.414 -8.736 -2.332 1.00 0.00 N ATOM 0 H LYS A 34 4.024 -7.804 0.497 1.00 0.00 H new ATOM 0 HA LYS A 34 4.726 -10.573 0.594 1.00 0.00 H new ATOM 0 HB2 LYS A 34 6.114 -8.192 0.604 1.00 0.00 H new ATOM 0 HB3 LYS A 34 6.199 -8.626 2.300 1.00 0.00 H new ATOM 0 HG2 LYS A 34 8.060 -9.804 1.485 1.00 0.00 H new ATOM 0 HG3 LYS A 34 6.833 -11.047 1.345 1.00 0.00 H new ATOM 0 HD2 LYS A 34 7.616 -11.108 -0.857 1.00 0.00 H new ATOM 0 HD3 LYS A 34 6.419 -9.844 -1.057 1.00 0.00 H new ATOM 0 HE2 LYS A 34 8.350 -8.218 -0.296 1.00 0.00 H new ATOM 0 HE3 LYS A 34 9.417 -9.555 -0.676 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 9.183 -8.065 -2.531 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 8.535 -9.585 -2.920 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 7.500 -8.290 -2.551 1.00 0.00 H new ATOM 513 N GLN A 35 4.453 -11.274 3.003 1.00 0.00 N ATOM 514 CA GLN A 35 4.344 -11.740 4.364 1.00 0.00 C ATOM 515 C GLN A 35 5.555 -11.288 5.156 1.00 0.00 C ATOM 516 O GLN A 35 6.599 -10.999 4.571 1.00 0.00 O ATOM 517 CB GLN A 35 4.264 -13.269 4.383 1.00 0.00 C ATOM 518 CG GLN A 35 2.911 -13.740 3.841 1.00 0.00 C ATOM 519 CD GLN A 35 2.693 -15.240 3.955 1.00 0.00 C ATOM 520 OE1 GLN A 35 2.160 -15.868 3.049 1.00 0.00 O ATOM 521 NE2 GLN A 35 3.060 -15.836 5.071 1.00 0.00 N ATOM 0 H GLN A 35 4.786 -11.996 2.364 1.00 0.00 H new ATOM 0 HA GLN A 35 3.441 -11.326 4.813 1.00 0.00 H new ATOM 0 HB2 GLN A 35 5.070 -13.689 3.781 1.00 0.00 H new ATOM 0 HB3 GLN A 35 4.402 -13.634 5.401 1.00 0.00 H new ATOM 0 HG2 GLN A 35 2.115 -13.225 4.379 1.00 0.00 H new ATOM 0 HG3 GLN A 35 2.828 -13.449 2.794 1.00 0.00 H new ATOM 0 HE21 GLN A 35 3.503 -15.297 5.815 1.00 0.00 H new ATOM 0 HE22 GLN A 35 2.901 -16.836 5.191 1.00 0.00 H new ATOM 530 N ALA A 36 5.441 -11.410 6.476 1.00 0.00 N ATOM 531 CA ALA A 36 6.508 -11.270 7.464 1.00 0.00 C ATOM 532 C ALA A 36 7.597 -12.358 7.352 1.00 0.00 C ATOM 533 O ALA A 36 8.344 -12.586 8.302 1.00 0.00 O ATOM 534 CB ALA A 36 5.844 -11.310 8.843 1.00 0.00 C ATOM 0 H ALA A 36 4.544 -11.623 6.912 1.00 0.00 H new ATOM 0 HA ALA A 36 7.030 -10.329 7.291 1.00 0.00 H new ATOM 0 HB1 ALA A 36 6.605 -11.209 9.616 1.00 0.00 H new ATOM 0 HB2 ALA A 36 5.130 -10.491 8.927 1.00 0.00 H new ATOM 0 HB3 ALA A 36 5.323 -12.259 8.969 1.00 0.00 H new ATOM 540 N ASP A 37 7.639 -13.098 6.244 1.00 0.00 N ATOM 541 CA ASP A 37 8.629 -14.131 5.932 1.00 0.00 C ATOM 542 C ASP A 37 9.104 -14.049 4.473 1.00 0.00 C ATOM 543 O ASP A 37 9.861 -14.893 4.002 1.00 0.00 O ATOM 544 CB ASP A 37 8.029 -15.496 6.267 1.00 0.00 C ATOM 545 CG ASP A 37 9.031 -16.644 6.174 1.00 0.00 C ATOM 546 OD1 ASP A 37 10.187 -16.489 6.618 1.00 0.00 O ATOM 547 OD2 ASP A 37 8.627 -17.747 5.740 1.00 0.00 O ATOM 0 H ASP A 37 6.948 -12.988 5.501 1.00 0.00 H new ATOM 0 HA ASP A 37 9.520 -13.973 6.539 1.00 0.00 H new ATOM 0 HB2 ASP A 37 7.618 -15.465 7.276 1.00 0.00 H new ATOM 0 HB3 ASP A 37 7.198 -15.694 5.590 1.00 0.00 H new ATOM 552 N GLY A 38 8.661 -13.038 3.714 1.00 0.00 N ATOM 553 CA GLY A 38 9.137 -12.798 2.355 1.00 0.00 C ATOM 554 C GLY A 38 8.282 -13.487 1.294 1.00 0.00 C ATOM 555 O GLY A 38 8.492 -13.279 0.099 1.00 0.00 O ATOM 0 H GLY A 38 7.962 -12.366 4.030 1.00 0.00 H new ATOM 0 HA2 GLY A 38 9.149 -11.725 2.164 1.00 0.00 H new ATOM 0 HA3 GLY A 38 10.166 -13.148 2.269 1.00 0.00 H new ATOM 559 N THR A 39 7.303 -14.282 1.709 1.00 0.00 N ATOM 560 CA THR A 39 6.286 -14.875 0.870 1.00 0.00 C ATOM 561 C THR A 39 5.358 -13.776 0.364 1.00 0.00 C ATOM 562 O THR A 39 4.594 -13.212 1.135 1.00 0.00 O ATOM 563 CB THR A 39 5.584 -15.965 1.687 1.00 0.00 C ATOM 564 OG1 THR A 39 6.509 -17.027 1.831 1.00 0.00 O ATOM 565 CG2 THR A 39 4.312 -16.471 1.014 1.00 0.00 C ATOM 0 H THR A 39 7.198 -14.539 2.690 1.00 0.00 H new ATOM 0 HA THR A 39 6.699 -15.352 -0.019 1.00 0.00 H new ATOM 0 HB THR A 39 5.278 -15.556 2.650 1.00 0.00 H new ATOM 0 HG1 THR A 39 6.100 -17.749 2.352 1.00 0.00 H new ATOM 0 HG21 THR A 39 3.854 -17.242 1.634 1.00 0.00 H new ATOM 0 HG22 THR A 39 3.613 -15.644 0.888 1.00 0.00 H new ATOM 0 HG23 THR A 39 4.558 -16.890 0.038 1.00 0.00 H new ATOM 573 N ALA A 40 5.420 -13.427 -0.913 1.00 0.00 N ATOM 574 CA ALA A 40 4.363 -12.669 -1.559 1.00 0.00 C ATOM 575 C ALA A 40 3.076 -13.509 -1.619 1.00 0.00 C ATOM 576 O ALA A 40 3.097 -14.677 -2.012 1.00 0.00 O ATOM 577 CB ALA A 40 4.881 -12.225 -2.923 1.00 0.00 C ATOM 0 H ALA A 40 6.201 -13.661 -1.526 1.00 0.00 H new ATOM 0 HA ALA A 40 4.097 -11.774 -0.996 1.00 0.00 H new ATOM 0 HB1 ALA A 40 4.109 -11.651 -3.436 1.00 0.00 H new ATOM 0 HB2 ALA A 40 5.767 -11.604 -2.791 1.00 0.00 H new ATOM 0 HB3 ALA A 40 5.137 -13.102 -3.518 1.00 0.00 H new ATOM 583 N ARG A 41 1.958 -12.926 -1.180 1.00 0.00 N ATOM 584 CA ARG A 41 0.609 -13.499 -1.243 1.00 0.00 C ATOM 585 C ARG A 41 0.036 -13.374 -2.648 1.00 0.00 C ATOM 586 O ARG A 41 0.590 -12.655 -3.484 1.00 0.00 O ATOM 587 CB ARG A 41 -0.300 -12.723 -0.281 1.00 0.00 C ATOM 588 CG ARG A 41 -0.125 -13.154 1.176 1.00 0.00 C ATOM 589 CD ARG A 41 -0.546 -11.957 2.043 1.00 0.00 C ATOM 590 NE ARG A 41 -0.646 -12.309 3.469 1.00 0.00 N ATOM 591 CZ ARG A 41 0.109 -11.813 4.457 1.00 0.00 C ATOM 592 NH1 ARG A 41 1.013 -10.881 4.203 1.00 0.00 N ATOM 593 NH2 ARG A 41 0.042 -12.276 5.696 1.00 0.00 N ATOM 0 H ARG A 41 1.968 -12.000 -0.752 1.00 0.00 H new ATOM 0 HA ARG A 41 0.662 -14.553 -0.971 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -0.088 -11.657 -0.368 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -1.340 -12.866 -0.575 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -0.738 -14.027 1.398 1.00 0.00 H new ATOM 0 HG3 ARG A 41 0.910 -13.432 1.376 1.00 0.00 H new ATOM 0 HD2 ARG A 41 0.176 -11.150 1.920 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -1.508 -11.580 1.696 1.00 0.00 H new ATOM 0 HE ARG A 41 -1.356 -12.994 3.728 1.00 0.00 H new ATOM 0 HH11 ARG A 41 1.137 -10.537 3.251 1.00 0.00 H new ATOM 0 HH12 ARG A 41 1.586 -10.506 4.959 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -0.600 -13.035 5.923 1.00 0.00 H new ATOM 0 HH22 ARG A 41 0.633 -11.873 6.424 1.00 0.00 H new ATOM 607 N ALA A 42 -1.121 -13.985 -2.888 1.00 0.00 N ATOM 608 CA ALA A 42 -1.941 -13.643 -4.039 1.00 0.00 C ATOM 609 C ALA A 42 -2.823 -12.441 -3.715 1.00 0.00 C ATOM 610 O ALA A 42 -3.452 -12.400 -2.649 1.00 0.00 O ATOM 611 CB ALA A 42 -2.798 -14.836 -4.446 1.00 0.00 C ATOM 0 H ALA A 42 -1.510 -14.720 -2.298 1.00 0.00 H new ATOM 0 HA ALA A 42 -1.289 -13.383 -4.873 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -3.408 -14.568 -5.309 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -2.153 -15.676 -4.704 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -3.447 -15.118 -3.617 1.00 0.00 H new ATOM 617 N VAL A 43 -2.912 -11.495 -4.649 1.00 0.00 N ATOM 618 CA VAL A 43 -3.799 -10.336 -4.623 1.00 0.00 C ATOM 619 C VAL A 43 -4.494 -10.222 -5.993 1.00 0.00 C ATOM 620 O VAL A 43 -3.970 -10.755 -6.979 1.00 0.00 O ATOM 621 CB VAL A 43 -3.003 -9.063 -4.242 1.00 0.00 C ATOM 622 CG1 VAL A 43 -2.372 -9.204 -2.847 1.00 0.00 C ATOM 623 CG2 VAL A 43 -1.894 -8.683 -5.241 1.00 0.00 C ATOM 0 H VAL A 43 -2.335 -11.519 -5.490 1.00 0.00 H new ATOM 0 HA VAL A 43 -4.571 -10.453 -3.862 1.00 0.00 H new ATOM 0 HB VAL A 43 -3.743 -8.263 -4.257 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -1.819 -8.297 -2.604 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -3.157 -9.360 -2.107 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -1.692 -10.056 -2.840 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -1.388 -7.781 -4.897 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -1.174 -9.498 -5.313 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -2.334 -8.501 -6.221 1.00 0.00 H new ATOM 633 N PRO A 44 -5.655 -9.556 -6.109 1.00 0.00 N ATOM 634 CA PRO A 44 -6.319 -9.392 -7.394 1.00 0.00 C ATOM 635 C PRO A 44 -5.535 -8.397 -8.259 1.00 0.00 C ATOM 636 O PRO A 44 -5.279 -7.261 -7.848 1.00 0.00 O ATOM 637 CB PRO A 44 -7.738 -8.915 -7.082 1.00 0.00 C ATOM 638 CG PRO A 44 -7.554 -8.168 -5.767 1.00 0.00 C ATOM 639 CD PRO A 44 -6.425 -8.917 -5.055 1.00 0.00 C ATOM 0 HA PRO A 44 -6.362 -10.319 -7.966 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -8.129 -8.266 -7.866 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -8.433 -9.748 -6.981 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -7.292 -7.124 -5.937 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -8.469 -8.175 -5.175 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -5.805 -8.233 -4.476 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -6.822 -9.654 -4.358 1.00 0.00 H new ATOM 647 N SER A 45 -5.146 -8.842 -9.451 1.00 0.00 N ATOM 648 CA SER A 45 -4.698 -7.986 -10.531 1.00 0.00 C ATOM 649 C SER A 45 -5.941 -7.368 -11.196 1.00 0.00 C ATOM 650 O SER A 45 -7.070 -7.784 -10.919 1.00 0.00 O ATOM 651 CB SER A 45 -3.927 -8.877 -11.513 1.00 0.00 C ATOM 652 OG SER A 45 -2.554 -8.839 -11.186 1.00 0.00 O ATOM 0 H SER A 45 -5.136 -9.833 -9.692 1.00 0.00 H new ATOM 0 HA SER A 45 -4.053 -7.177 -10.188 1.00 0.00 H new ATOM 0 HB2 SER A 45 -4.298 -9.901 -11.464 1.00 0.00 H new ATOM 0 HB3 SER A 45 -4.080 -8.531 -12.535 1.00 0.00 H new ATOM 0 HG SER A 45 -2.054 -9.408 -11.808 1.00 0.00 H new ATOM 658 N ALA A 46 -5.749 -6.419 -12.113 1.00 0.00 N ATOM 659 CA ALA A 46 -6.827 -5.747 -12.834 1.00 0.00 C ATOM 660 C ALA A 46 -7.768 -6.745 -13.515 1.00 0.00 C ATOM 661 O ALA A 46 -8.981 -6.723 -13.287 1.00 0.00 O ATOM 662 CB ALA A 46 -6.212 -4.741 -13.809 1.00 0.00 C ATOM 0 H ALA A 46 -4.821 -6.091 -12.380 1.00 0.00 H new ATOM 0 HA ALA A 46 -7.456 -5.203 -12.130 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -7.006 -4.231 -14.355 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -5.625 -4.009 -13.254 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -5.566 -5.265 -14.513 1.00 0.00 H new ATOM 668 N ASP A 47 -7.215 -7.677 -14.293 1.00 0.00 N ATOM 669 CA ASP A 47 -8.019 -8.673 -15.004 1.00 0.00 C ATOM 670 C ASP A 47 -8.711 -9.662 -14.066 1.00 0.00 C ATOM 671 O ASP A 47 -9.634 -10.352 -14.493 1.00 0.00 O ATOM 672 CB ASP A 47 -7.183 -9.443 -16.037 1.00 0.00 C ATOM 673 CG ASP A 47 -6.976 -8.664 -17.329 1.00 0.00 C ATOM 674 OD1 ASP A 47 -7.978 -8.314 -17.993 1.00 0.00 O ATOM 675 OD2 ASP A 47 -5.794 -8.410 -17.664 1.00 0.00 O ATOM 0 H ASP A 47 -6.210 -7.763 -14.447 1.00 0.00 H new ATOM 0 HA ASP A 47 -8.794 -8.107 -15.520 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -6.212 -9.684 -15.604 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -7.675 -10.389 -16.263 1.00 0.00 H new ATOM 680 N GLN A 48 -8.327 -9.744 -12.788 1.00 0.00 N ATOM 681 CA GLN A 48 -9.054 -10.589 -11.836 1.00 0.00 C ATOM 682 C GLN A 48 -10.445 -10.016 -11.549 1.00 0.00 C ATOM 683 O GLN A 48 -11.305 -10.731 -11.029 1.00 0.00 O ATOM 684 CB GLN A 48 -8.306 -10.783 -10.516 1.00 0.00 C ATOM 685 CG GLN A 48 -7.002 -11.591 -10.645 1.00 0.00 C ATOM 686 CD GLN A 48 -7.189 -13.105 -10.761 1.00 0.00 C ATOM 687 OE1 GLN A 48 -7.556 -13.786 -9.805 1.00 0.00 O ATOM 688 NE2 GLN A 48 -6.887 -13.680 -11.912 1.00 0.00 N ATOM 0 H GLN A 48 -7.530 -9.244 -12.394 1.00 0.00 H new ATOM 0 HA GLN A 48 -9.145 -11.566 -12.311 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -8.074 -9.805 -10.095 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -8.964 -11.287 -9.808 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -6.459 -11.239 -11.522 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -6.376 -11.383 -9.778 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -6.583 -13.111 -12.702 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -6.958 -14.693 -12.010 1.00 0.00 H new ATOM 697 N GLY A 49 -10.688 -8.753 -11.894 1.00 0.00 N ATOM 698 CA GLY A 49 -12.022 -8.219 -12.071 1.00 0.00 C ATOM 699 C GLY A 49 -12.251 -6.937 -11.296 1.00 0.00 C ATOM 700 O GLY A 49 -13.040 -6.090 -11.714 1.00 0.00 O ATOM 0 H GLY A 49 -9.949 -8.069 -12.059 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -12.196 -8.033 -13.131 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -12.751 -8.964 -11.754 1.00 0.00 H new ATOM 704 N ALA A 50 -11.576 -6.803 -10.158 1.00 0.00 N ATOM 705 CA ALA A 50 -11.751 -5.703 -9.231 1.00 0.00 C ATOM 706 C ALA A 50 -10.421 -5.493 -8.491 1.00 0.00 C ATOM 707 O ALA A 50 -10.204 -6.116 -7.449 1.00 0.00 O ATOM 708 CB ALA A 50 -12.929 -6.021 -8.306 1.00 0.00 C ATOM 0 H ALA A 50 -10.875 -7.478 -9.852 1.00 0.00 H new ATOM 0 HA ALA A 50 -11.996 -4.767 -9.734 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -13.071 -5.200 -7.603 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -13.834 -6.151 -8.900 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -12.722 -6.939 -7.755 1.00 0.00 H new ATOM 714 N PRO A 51 -9.479 -4.726 -9.062 1.00 0.00 N ATOM 715 CA PRO A 51 -8.155 -4.530 -8.482 1.00 0.00 C ATOM 716 C PRO A 51 -8.176 -3.611 -7.260 1.00 0.00 C ATOM 717 O PRO A 51 -9.085 -2.794 -7.087 1.00 0.00 O ATOM 718 CB PRO A 51 -7.318 -3.896 -9.586 1.00 0.00 C ATOM 719 CG PRO A 51 -8.340 -3.201 -10.479 1.00 0.00 C ATOM 720 CD PRO A 51 -9.584 -4.072 -10.356 1.00 0.00 C ATOM 0 HA PRO A 51 -7.754 -5.482 -8.134 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -6.596 -3.187 -9.181 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -6.752 -4.647 -10.138 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -8.532 -2.181 -10.148 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -7.994 -3.141 -11.511 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -10.491 -3.471 -10.418 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -9.631 -4.804 -11.162 1.00 0.00 H new ATOM 728 N ILE A 52 -7.119 -3.694 -6.452 1.00 0.00 N ATOM 729 CA ILE A 52 -6.925 -2.878 -5.263 1.00 0.00 C ATOM 730 C ILE A 52 -6.268 -1.556 -5.674 1.00 0.00 C ATOM 731 O ILE A 52 -5.056 -1.498 -5.871 1.00 0.00 O ATOM 732 CB ILE A 52 -6.125 -3.673 -4.203 1.00 0.00 C ATOM 733 CG1 ILE A 52 -6.957 -4.903 -3.780 1.00 0.00 C ATOM 734 CG2 ILE A 52 -5.824 -2.800 -2.966 1.00 0.00 C ATOM 735 CD1 ILE A 52 -6.452 -5.682 -2.558 1.00 0.00 C ATOM 0 H ILE A 52 -6.355 -4.350 -6.615 1.00 0.00 H new ATOM 0 HA ILE A 52 -7.877 -2.630 -4.794 1.00 0.00 H new ATOM 0 HB ILE A 52 -5.174 -3.985 -4.634 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -7.976 -4.573 -3.577 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -7.007 -5.589 -4.626 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -5.261 -3.383 -2.237 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -5.237 -1.932 -3.267 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -6.761 -2.467 -2.519 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -7.119 -6.521 -2.361 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -5.447 -6.055 -2.754 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -6.431 -5.023 -1.690 1.00 0.00 H new ATOM 747 N THR A 53 -7.045 -0.480 -5.779 1.00 0.00 N ATOM 748 CA THR A 53 -6.575 0.816 -6.265 1.00 0.00 C ATOM 749 C THR A 53 -6.824 1.851 -5.167 1.00 0.00 C ATOM 750 O THR A 53 -7.981 2.041 -4.783 1.00 0.00 O ATOM 751 CB THR A 53 -7.291 1.168 -7.580 1.00 0.00 C ATOM 752 OG1 THR A 53 -8.677 1.415 -7.399 1.00 0.00 O ATOM 753 CG2 THR A 53 -7.171 0.038 -8.608 1.00 0.00 C ATOM 0 H THR A 53 -8.033 -0.484 -5.525 1.00 0.00 H new ATOM 0 HA THR A 53 -5.508 0.795 -6.485 1.00 0.00 H new ATOM 0 HB THR A 53 -6.797 2.072 -7.936 1.00 0.00 H new ATOM 0 HG1 THR A 53 -8.835 1.739 -6.488 1.00 0.00 H new ATOM 0 HG21 THR A 53 -7.689 0.323 -9.524 1.00 0.00 H new ATOM 0 HG22 THR A 53 -6.119 -0.144 -8.828 1.00 0.00 H new ATOM 0 HG23 THR A 53 -7.620 -0.870 -8.205 1.00 0.00 H new ATOM 761 N LEU A 54 -5.788 2.506 -4.644 1.00 0.00 N ATOM 762 CA LEU A 54 -5.953 3.576 -3.654 1.00 0.00 C ATOM 763 C LEU A 54 -6.354 4.860 -4.409 1.00 0.00 C ATOM 764 O LEU A 54 -6.288 4.924 -5.644 1.00 0.00 O ATOM 765 CB LEU A 54 -4.653 3.664 -2.812 1.00 0.00 C ATOM 766 CG LEU A 54 -4.523 4.831 -1.802 1.00 0.00 C ATOM 767 CD1 LEU A 54 -5.524 4.742 -0.649 1.00 0.00 C ATOM 768 CD2 LEU A 54 -3.126 4.844 -1.166 1.00 0.00 C ATOM 0 H LEU A 54 -4.817 2.314 -4.890 1.00 0.00 H new ATOM 0 HA LEU A 54 -6.751 3.391 -2.935 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -4.548 2.730 -2.260 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -3.811 3.723 -3.502 1.00 0.00 H new ATOM 0 HG LEU A 54 -4.716 5.734 -2.382 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -5.381 5.588 0.023 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -6.539 4.761 -1.046 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -5.366 3.813 -0.101 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -3.055 5.671 -0.460 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -2.956 3.904 -0.642 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -2.373 4.966 -1.944 1.00 0.00 H new ATOM 780 N THR A 55 -6.852 5.882 -3.717 1.00 0.00 N ATOM 781 CA THR A 55 -7.035 7.228 -4.239 1.00 0.00 C ATOM 782 C THR A 55 -6.886 8.214 -3.086 1.00 0.00 C ATOM 783 O THR A 55 -7.729 8.255 -2.187 1.00 0.00 O ATOM 784 CB THR A 55 -8.397 7.383 -4.924 1.00 0.00 C ATOM 785 OG1 THR A 55 -8.505 6.460 -6.001 1.00 0.00 O ATOM 786 CG2 THR A 55 -8.525 8.786 -5.523 1.00 0.00 C ATOM 0 H THR A 55 -7.148 5.790 -2.745 1.00 0.00 H new ATOM 0 HA THR A 55 -6.279 7.429 -4.998 1.00 0.00 H new ATOM 0 HB THR A 55 -9.172 7.206 -4.178 1.00 0.00 H new ATOM 0 HG1 THR A 55 -7.679 5.936 -6.067 1.00 0.00 H new ATOM 0 HG21 THR A 55 -9.496 8.887 -6.008 1.00 0.00 H new ATOM 0 HG22 THR A 55 -8.436 9.529 -4.731 1.00 0.00 H new ATOM 0 HG23 THR A 55 -7.735 8.942 -6.257 1.00 0.00 H new ATOM 794 N LEU A 56 -5.820 9.011 -3.098 1.00 0.00 N ATOM 795 CA LEU A 56 -5.758 10.175 -2.246 1.00 0.00 C ATOM 796 C LEU A 56 -6.525 11.299 -2.943 1.00 0.00 C ATOM 797 O LEU A 56 -6.601 11.352 -4.174 1.00 0.00 O ATOM 798 CB LEU A 56 -4.295 10.542 -1.947 1.00 0.00 C ATOM 799 CG LEU A 56 -3.471 9.475 -1.208 1.00 0.00 C ATOM 800 CD1 LEU A 56 -4.239 8.715 -0.113 1.00 0.00 C ATOM 801 CD2 LEU A 56 -2.809 8.468 -2.149 1.00 0.00 C ATOM 0 H LEU A 56 -4.999 8.866 -3.686 1.00 0.00 H new ATOM 0 HA LEU A 56 -6.221 9.984 -1.278 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -3.798 10.768 -2.890 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -4.284 11.456 -1.354 1.00 0.00 H new ATOM 0 HG LEU A 56 -2.698 10.064 -0.715 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -3.579 7.984 0.353 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -4.590 9.420 0.641 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -5.093 8.202 -0.556 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -2.243 7.742 -1.565 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -3.576 7.951 -2.726 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -2.136 8.992 -2.828 1.00 0.00 H new ATOM 813 N SER A 57 -7.159 12.160 -2.159 1.00 0.00 N ATOM 814 CA SER A 57 -7.798 13.398 -2.562 1.00 0.00 C ATOM 815 C SER A 57 -8.033 14.159 -1.261 1.00 0.00 C ATOM 816 O SER A 57 -8.114 13.544 -0.194 1.00 0.00 O ATOM 817 CB SER A 57 -9.101 13.047 -3.304 1.00 0.00 C ATOM 818 OG SER A 57 -10.116 14.031 -3.227 1.00 0.00 O ATOM 0 H SER A 57 -7.244 11.997 -1.156 1.00 0.00 H new ATOM 0 HA SER A 57 -7.209 14.011 -3.245 1.00 0.00 H new ATOM 0 HB2 SER A 57 -8.867 12.869 -4.354 1.00 0.00 H new ATOM 0 HB3 SER A 57 -9.491 12.112 -2.901 1.00 0.00 H new ATOM 0 HG SER A 57 -10.904 13.728 -3.725 1.00 0.00 H new ATOM 824 N THR A 58 -8.192 15.476 -1.318 1.00 0.00 N ATOM 825 CA THR A 58 -8.673 16.248 -0.176 1.00 0.00 C ATOM 826 C THR A 58 -9.805 17.174 -0.609 1.00 0.00 C ATOM 827 O THR A 58 -9.993 18.244 -0.030 1.00 0.00 O ATOM 828 CB THR A 58 -7.501 16.920 0.562 1.00 0.00 C ATOM 829 OG1 THR A 58 -6.684 17.696 -0.305 1.00 0.00 O ATOM 830 CG2 THR A 58 -6.654 15.859 1.267 1.00 0.00 C ATOM 0 H THR A 58 -7.994 16.035 -2.148 1.00 0.00 H new ATOM 0 HA THR A 58 -9.117 15.592 0.572 1.00 0.00 H new ATOM 0 HB THR A 58 -7.930 17.602 1.296 1.00 0.00 H new ATOM 0 HG1 THR A 58 -5.963 17.137 -0.662 1.00 0.00 H new ATOM 0 HG21 THR A 58 -5.826 16.341 1.787 1.00 0.00 H new ATOM 0 HG22 THR A 58 -7.271 15.320 1.987 1.00 0.00 H new ATOM 0 HG23 THR A 58 -6.261 15.159 0.530 1.00 0.00 H new ATOM 838 N SER A 59 -10.565 16.774 -1.634 1.00 0.00 N ATOM 839 CA SER A 59 -11.545 17.616 -2.295 1.00 0.00 C ATOM 840 C SER A 59 -12.542 18.223 -1.304 1.00 0.00 C ATOM 841 O SER A 59 -12.796 19.422 -1.374 1.00 0.00 O ATOM 842 CB SER A 59 -12.236 16.803 -3.395 1.00 0.00 C ATOM 843 OG SER A 59 -12.957 17.656 -4.263 1.00 0.00 O ATOM 0 H SER A 59 -10.508 15.835 -2.029 1.00 0.00 H new ATOM 0 HA SER A 59 -11.038 18.465 -2.753 1.00 0.00 H new ATOM 0 HB2 SER A 59 -11.493 16.242 -3.962 1.00 0.00 H new ATOM 0 HB3 SER A 59 -12.912 16.075 -2.947 1.00 0.00 H new ATOM 0 HG SER A 59 -13.391 17.122 -4.961 1.00 0.00 H new ATOM 849 N THR A 60 -13.071 17.438 -0.363 1.00 0.00 N ATOM 850 CA THR A 60 -14.054 17.897 0.614 1.00 0.00 C ATOM 851 C THR A 60 -13.456 18.880 1.640 1.00 0.00 C ATOM 852 O THR A 60 -14.188 19.538 2.387 1.00 0.00 O ATOM 853 CB THR A 60 -14.641 16.662 1.312 1.00 0.00 C ATOM 854 OG1 THR A 60 -13.599 15.886 1.856 1.00 0.00 O ATOM 855 CG2 THR A 60 -15.420 15.721 0.386 1.00 0.00 C ATOM 0 H THR A 60 -12.824 16.454 -0.259 1.00 0.00 H new ATOM 0 HA THR A 60 -14.836 18.451 0.095 1.00 0.00 H new ATOM 0 HB THR A 60 -15.324 17.063 2.061 1.00 0.00 H new ATOM 0 HG1 THR A 60 -13.976 15.099 2.303 1.00 0.00 H new ATOM 0 HG21 THR A 60 -15.799 14.876 0.961 1.00 0.00 H new ATOM 0 HG22 THR A 60 -16.255 16.260 -0.061 1.00 0.00 H new ATOM 0 HG23 THR A 60 -14.760 15.357 -0.401 1.00 0.00 H new ATOM 863 N GLY A 61 -12.128 18.979 1.722 1.00 0.00 N ATOM 864 CA GLY A 61 -11.403 19.917 2.559 1.00 0.00 C ATOM 865 C GLY A 61 -10.886 19.286 3.847 1.00 0.00 C ATOM 866 O GLY A 61 -10.304 20.008 4.655 1.00 0.00 O ATOM 0 H GLY A 61 -11.508 18.378 1.180 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -10.562 20.323 1.997 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -12.055 20.754 2.807 1.00 0.00 H new ATOM 870 N GLN A 62 -11.088 17.982 4.069 1.00 0.00 N ATOM 871 CA GLN A 62 -10.364 17.228 5.085 1.00 0.00 C ATOM 872 C GLN A 62 -9.553 16.122 4.401 1.00 0.00 C ATOM 873 O GLN A 62 -9.674 15.890 3.193 1.00 0.00 O ATOM 874 CB GLN A 62 -11.261 16.669 6.203 1.00 0.00 C ATOM 875 CG GLN A 62 -12.522 17.467 6.536 1.00 0.00 C ATOM 876 CD GLN A 62 -13.745 16.978 5.766 1.00 0.00 C ATOM 877 OE1 GLN A 62 -14.430 16.032 6.155 1.00 0.00 O ATOM 878 NE2 GLN A 62 -14.071 17.605 4.654 1.00 0.00 N ATOM 0 H GLN A 62 -11.761 17.423 3.545 1.00 0.00 H new ATOM 0 HA GLN A 62 -9.693 17.920 5.593 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -11.561 15.659 5.925 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -10.662 16.585 7.110 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -12.719 17.398 7.606 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -12.352 18.520 6.310 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -13.507 18.390 4.327 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -14.887 17.306 4.120 1.00 0.00 H new ATOM 887 N ARG A 63 -8.746 15.418 5.195 1.00 0.00 N ATOM 888 CA ARG A 63 -7.854 14.340 4.771 1.00 0.00 C ATOM 889 C ARG A 63 -8.643 13.058 4.661 1.00 0.00 C ATOM 890 O ARG A 63 -8.390 12.105 5.385 1.00 0.00 O ATOM 891 CB ARG A 63 -6.684 14.162 5.758 1.00 0.00 C ATOM 892 CG ARG A 63 -6.200 15.487 6.297 1.00 0.00 C ATOM 893 CD ARG A 63 -4.853 15.401 7.008 1.00 0.00 C ATOM 894 NE ARG A 63 -3.808 14.972 6.064 1.00 0.00 N ATOM 895 CZ ARG A 63 -2.999 15.764 5.350 1.00 0.00 C ATOM 896 NH1 ARG A 63 -2.915 17.070 5.574 1.00 0.00 N ATOM 897 NH2 ARG A 63 -2.249 15.247 4.394 1.00 0.00 N ATOM 0 H ARG A 63 -8.694 15.593 6.199 1.00 0.00 H new ATOM 0 HA ARG A 63 -7.431 14.598 3.800 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -7.000 13.526 6.585 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -5.861 13.650 5.258 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -6.123 16.198 5.475 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -6.943 15.881 6.990 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -4.595 16.371 7.432 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -4.915 14.697 7.838 1.00 0.00 H new ATOM 0 HE ARG A 63 -3.688 13.967 5.941 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -3.478 17.499 6.309 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -2.288 17.645 5.011 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -2.287 14.246 4.201 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -1.632 15.849 3.849 1.00 0.00 H new ATOM 911 N HIS A 64 -9.607 13.027 3.767 1.00 0.00 N ATOM 912 CA HIS A 64 -10.147 11.747 3.347 1.00 0.00 C ATOM 913 C HIS A 64 -9.054 10.995 2.598 1.00 0.00 C ATOM 914 O HIS A 64 -8.180 11.602 1.987 1.00 0.00 O ATOM 915 CB HIS A 64 -11.343 11.921 2.394 1.00 0.00 C ATOM 916 CG HIS A 64 -12.666 11.358 2.845 1.00 0.00 C ATOM 917 ND1 HIS A 64 -13.518 10.647 2.036 1.00 0.00 N ATOM 918 CD2 HIS A 64 -13.325 11.595 4.021 1.00 0.00 C ATOM 919 CE1 HIS A 64 -14.681 10.503 2.674 1.00 0.00 C ATOM 920 NE2 HIS A 64 -14.612 11.045 3.902 1.00 0.00 N ATOM 0 H HIS A 64 -10.025 13.846 3.326 1.00 0.00 H new ATOM 0 HA HIS A 64 -10.484 11.207 4.232 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -11.475 12.987 2.207 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -11.086 11.460 1.441 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -12.928 12.111 4.883 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -15.554 10.019 2.262 1.00 0.00 H new ATOM 0 HE2 HIS A 64 -15.348 11.055 4.608 1.00 0.00 H new ATOM 928 N ALA A 65 -9.180 9.681 2.530 1.00 0.00 N ATOM 929 CA ALA A 65 -8.691 8.874 1.430 1.00 0.00 C ATOM 930 C ALA A 65 -9.870 8.020 0.986 1.00 0.00 C ATOM 931 O ALA A 65 -10.771 7.748 1.787 1.00 0.00 O ATOM 932 CB ALA A 65 -7.515 8.023 1.914 1.00 0.00 C ATOM 0 H ALA A 65 -9.638 9.133 3.259 1.00 0.00 H new ATOM 0 HA ALA A 65 -8.325 9.471 0.595 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -7.143 7.414 1.090 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -6.718 8.674 2.272 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -7.845 7.374 2.725 1.00 0.00 H new ATOM 938 N SER A 66 -9.846 7.568 -0.261 1.00 0.00 N ATOM 939 CA SER A 66 -10.731 6.534 -0.759 1.00 0.00 C ATOM 940 C SER A 66 -9.881 5.445 -1.396 1.00 0.00 C ATOM 941 O SER A 66 -8.674 5.598 -1.588 1.00 0.00 O ATOM 942 CB SER A 66 -11.772 7.118 -1.728 1.00 0.00 C ATOM 943 OG SER A 66 -11.225 8.009 -2.689 1.00 0.00 O ATOM 0 H SER A 66 -9.197 7.919 -0.965 1.00 0.00 H new ATOM 0 HA SER A 66 -11.302 6.096 0.060 1.00 0.00 H new ATOM 0 HB2 SER A 66 -12.270 6.299 -2.248 1.00 0.00 H new ATOM 0 HB3 SER A 66 -12.535 7.642 -1.153 1.00 0.00 H new ATOM 0 HG SER A 66 -11.940 8.341 -3.272 1.00 0.00 H new ATOM 949 N GLY A 67 -10.502 4.336 -1.758 1.00 0.00 N ATOM 950 CA GLY A 67 -9.869 3.342 -2.592 1.00 0.00 C ATOM 951 C GLY A 67 -10.771 2.136 -2.705 1.00 0.00 C ATOM 952 O GLY A 67 -11.827 2.076 -2.074 1.00 0.00 O ATOM 0 H GLY A 67 -11.456 4.104 -1.481 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -9.669 3.755 -3.581 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -8.908 3.053 -2.167 1.00 0.00 H new ATOM 956 N PHE A 68 -10.318 1.153 -3.470 1.00 0.00 N ATOM 957 CA PHE A 68 -10.941 -0.143 -3.615 1.00 0.00 C ATOM 958 C PHE A 68 -10.015 -1.163 -2.972 1.00 0.00 C ATOM 959 O PHE A 68 -8.809 -1.160 -3.237 1.00 0.00 O ATOM 960 CB PHE A 68 -11.227 -0.409 -5.093 1.00 0.00 C ATOM 961 CG PHE A 68 -12.152 -1.580 -5.320 1.00 0.00 C ATOM 962 CD1 PHE A 68 -11.682 -2.899 -5.240 1.00 0.00 C ATOM 963 CD2 PHE A 68 -13.503 -1.339 -5.613 1.00 0.00 C ATOM 964 CE1 PHE A 68 -12.575 -3.960 -5.435 1.00 0.00 C ATOM 965 CE2 PHE A 68 -14.411 -2.400 -5.743 1.00 0.00 C ATOM 966 CZ PHE A 68 -13.944 -3.716 -5.653 1.00 0.00 C ATOM 0 H PHE A 68 -9.469 1.247 -4.028 1.00 0.00 H new ATOM 0 HA PHE A 68 -11.907 -0.202 -3.113 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -11.667 0.484 -5.537 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -10.286 -0.593 -5.611 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -10.641 -3.095 -5.030 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -13.848 -0.324 -5.740 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -12.209 -4.976 -5.418 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -15.460 -2.203 -5.911 1.00 0.00 H new ATOM 0 HZ PHE A 68 -14.632 -4.542 -5.751 1.00 0.00 H new ATOM 976 N SER A 69 -10.565 -2.001 -2.101 1.00 0.00 N ATOM 977 CA SER A 69 -9.845 -2.999 -1.323 1.00 0.00 C ATOM 978 C SER A 69 -10.542 -4.342 -1.461 1.00 0.00 C ATOM 979 O SER A 69 -11.692 -4.458 -1.052 1.00 0.00 O ATOM 980 CB SER A 69 -9.789 -2.576 0.145 1.00 0.00 C ATOM 981 OG SER A 69 -11.047 -2.199 0.658 1.00 0.00 O ATOM 0 H SER A 69 -11.567 -2.003 -1.911 1.00 0.00 H new ATOM 0 HA SER A 69 -8.825 -3.086 -1.696 1.00 0.00 H new ATOM 0 HB2 SER A 69 -9.392 -3.399 0.740 1.00 0.00 H new ATOM 0 HB3 SER A 69 -9.095 -1.742 0.251 1.00 0.00 H new ATOM 0 HG SER A 69 -11.730 -2.312 -0.035 1.00 0.00 H new ATOM 987 N GLY A 70 -9.851 -5.342 -2.006 1.00 0.00 N ATOM 988 CA GLY A 70 -10.318 -6.699 -2.238 1.00 0.00 C ATOM 989 C GLY A 70 -11.569 -6.733 -3.112 1.00 0.00 C ATOM 990 O GLY A 70 -11.450 -6.981 -4.308 1.00 0.00 O ATOM 0 H GLY A 70 -8.888 -5.213 -2.316 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -9.527 -7.278 -2.715 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -10.531 -7.177 -1.282 1.00 0.00 H new ATOM 994 N CYS A 71 -12.747 -6.453 -2.543 1.00 0.00 N ATOM 995 CA CYS A 71 -13.999 -6.242 -3.258 1.00 0.00 C ATOM 996 C CYS A 71 -14.877 -5.099 -2.748 1.00 0.00 C ATOM 997 O CYS A 71 -15.940 -4.876 -3.324 1.00 0.00 O ATOM 998 CB CYS A 71 -14.801 -7.534 -3.352 1.00 0.00 C ATOM 999 SG CYS A 71 -14.536 -8.214 -5.012 1.00 0.00 S ATOM 0 H CYS A 71 -12.852 -6.365 -1.532 1.00 0.00 H new ATOM 0 HA CYS A 71 -13.684 -5.923 -4.252 1.00 0.00 H new ATOM 0 HB2 CYS A 71 -14.478 -8.243 -2.590 1.00 0.00 H new ATOM 0 HB3 CYS A 71 -15.860 -7.342 -3.180 1.00 0.00 H new ATOM 1004 N ASN A 72 -14.474 -4.364 -1.712 1.00 0.00 N ATOM 1005 CA ASN A 72 -15.232 -3.204 -1.243 1.00 0.00 C ATOM 1006 C ASN A 72 -14.400 -1.961 -1.400 1.00 0.00 C ATOM 1007 O ASN A 72 -13.209 -1.966 -1.100 1.00 0.00 O ATOM 1008 CB ASN A 72 -15.701 -3.334 0.206 1.00 0.00 C ATOM 1009 CG ASN A 72 -16.701 -4.462 0.331 1.00 0.00 C ATOM 1010 OD1 ASN A 72 -17.850 -4.260 -0.023 1.00 0.00 O ATOM 1011 ND2 ASN A 72 -16.324 -5.659 0.766 1.00 0.00 N ATOM 0 H ASN A 72 -13.624 -4.552 -1.180 1.00 0.00 H new ATOM 0 HA ASN A 72 -16.130 -3.143 -1.857 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -14.847 -3.521 0.857 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -16.154 -2.399 0.535 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -16.999 -6.423 0.807 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -15.360 -5.815 1.059 1.00 0.00 H new ATOM 1018 N ARG A 73 -15.026 -0.873 -1.839 1.00 0.00 N ATOM 1019 CA ARG A 73 -14.443 0.442 -1.647 1.00 0.00 C ATOM 1020 C ARG A 73 -14.504 0.824 -0.182 1.00 0.00 C ATOM 1021 O ARG A 73 -15.410 0.396 0.539 1.00 0.00 O ATOM 1022 CB ARG A 73 -15.058 1.549 -2.515 1.00 0.00 C ATOM 1023 CG ARG A 73 -15.696 1.061 -3.813 1.00 0.00 C ATOM 1024 CD ARG A 73 -15.873 2.223 -4.795 1.00 0.00 C ATOM 1025 NE ARG A 73 -16.496 1.756 -6.047 1.00 0.00 N ATOM 1026 CZ ARG A 73 -17.357 2.418 -6.828 1.00 0.00 C ATOM 1027 NH1 ARG A 73 -17.655 3.697 -6.619 1.00 0.00 N ATOM 1028 NH2 ARG A 73 -17.932 1.766 -7.831 1.00 0.00 N ATOM 0 H ARG A 73 -15.924 -0.879 -2.323 1.00 0.00 H new ATOM 0 HA ARG A 73 -13.408 0.360 -1.978 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -15.813 2.074 -1.930 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -14.282 2.275 -2.758 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -15.073 0.289 -4.263 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -16.664 0.606 -3.601 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -16.492 2.998 -4.342 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -14.905 2.674 -5.011 1.00 0.00 H new ATOM 0 HE ARG A 73 -16.240 0.817 -6.354 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -17.223 4.201 -5.845 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -18.316 4.174 -7.233 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -17.714 0.783 -7.992 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -18.592 2.248 -8.441 1.00 0.00 H new ATOM 1042 N TYR A 74 -13.593 1.698 0.205 1.00 0.00 N ATOM 1043 CA TYR A 74 -13.403 2.169 1.567 1.00 0.00 C ATOM 1044 C TYR A 74 -13.149 3.665 1.552 1.00 0.00 C ATOM 1045 O TYR A 74 -12.858 4.256 0.507 1.00 0.00 O ATOM 1046 CB TYR A 74 -12.233 1.443 2.244 1.00 0.00 C ATOM 1047 CG TYR A 74 -10.877 1.665 1.594 1.00 0.00 C ATOM 1048 CD1 TYR A 74 -10.511 0.876 0.495 1.00 0.00 C ATOM 1049 CD2 TYR A 74 -9.981 2.642 2.074 1.00 0.00 C ATOM 1050 CE1 TYR A 74 -9.248 1.011 -0.094 1.00 0.00 C ATOM 1051 CE2 TYR A 74 -8.715 2.799 1.476 1.00 0.00 C ATOM 1052 CZ TYR A 74 -8.339 1.970 0.395 1.00 0.00 C ATOM 1053 OH TYR A 74 -7.099 2.050 -0.159 1.00 0.00 O ATOM 0 H TYR A 74 -12.935 2.119 -0.451 1.00 0.00 H new ATOM 0 HA TYR A 74 -14.306 1.956 2.139 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -12.178 1.765 3.284 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -12.444 0.374 2.252 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -11.211 0.156 0.098 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -10.266 3.272 2.903 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -8.970 0.379 -0.925 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -8.033 3.552 1.843 1.00 0.00 H new ATOM 0 HH TYR A 74 -7.143 1.777 -1.099 1.00 0.00 H new ATOM 1063 N MET A 75 -13.269 4.268 2.729 1.00 0.00 N ATOM 1064 CA MET A 75 -13.033 5.675 2.982 1.00 0.00 C ATOM 1065 C MET A 75 -12.689 5.850 4.461 1.00 0.00 C ATOM 1066 O MET A 75 -12.947 4.950 5.263 1.00 0.00 O ATOM 1067 CB MET A 75 -14.275 6.491 2.586 1.00 0.00 C ATOM 1068 CG MET A 75 -15.585 5.966 3.204 1.00 0.00 C ATOM 1069 SD MET A 75 -16.907 5.642 2.011 1.00 0.00 S ATOM 1070 CE MET A 75 -16.533 3.927 1.572 1.00 0.00 C ATOM 0 H MET A 75 -13.547 3.761 3.569 1.00 0.00 H new ATOM 0 HA MET A 75 -12.199 6.040 2.383 1.00 0.00 H new ATOM 0 HB2 MET A 75 -14.130 7.527 2.891 1.00 0.00 H new ATOM 0 HB3 MET A 75 -14.369 6.488 1.500 1.00 0.00 H new ATOM 0 HG2 MET A 75 -15.371 5.046 3.748 1.00 0.00 H new ATOM 0 HG3 MET A 75 -15.943 6.692 3.934 1.00 0.00 H new ATOM 0 HE1 MET A 75 -17.457 3.405 1.325 1.00 0.00 H new ATOM 0 HE2 MET A 75 -15.865 3.909 0.711 1.00 0.00 H new ATOM 0 HE3 MET A 75 -16.051 3.432 2.415 1.00 0.00 H new ATOM 1080 N GLY A 76 -12.125 6.998 4.829 1.00 0.00 N ATOM 1081 CA GLY A 76 -11.768 7.367 6.196 1.00 0.00 C ATOM 1082 C GLY A 76 -10.670 8.423 6.163 1.00 0.00 C ATOM 1083 O GLY A 76 -10.342 8.926 5.085 1.00 0.00 O ATOM 0 H GLY A 76 -11.895 7.727 4.154 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -12.642 7.752 6.721 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -11.427 6.489 6.745 1.00 0.00 H new ATOM 1087 N SER A 77 -10.143 8.802 7.327 1.00 0.00 N ATOM 1088 CA SER A 77 -9.175 9.884 7.443 1.00 0.00 C ATOM 1089 C SER A 77 -7.743 9.409 7.169 1.00 0.00 C ATOM 1090 O SER A 77 -7.461 8.221 7.370 1.00 0.00 O ATOM 1091 CB SER A 77 -9.263 10.488 8.848 1.00 0.00 C ATOM 1092 OG SER A 77 -9.413 9.512 9.867 1.00 0.00 O ATOM 0 H SER A 77 -10.379 8.363 8.217 1.00 0.00 H new ATOM 0 HA SER A 77 -9.417 10.635 6.691 1.00 0.00 H new ATOM 0 HB2 SER A 77 -8.363 11.072 9.043 1.00 0.00 H new ATOM 0 HB3 SER A 77 -10.106 11.178 8.888 1.00 0.00 H new ATOM 0 HG SER A 77 -9.462 9.955 10.740 1.00 0.00 H new ATOM 1098 N TYR A 78 -6.823 10.328 6.830 1.00 0.00 N ATOM 1099 CA TYR A 78 -5.387 10.007 6.794 1.00 0.00 C ATOM 1100 C TYR A 78 -4.489 11.122 7.348 1.00 0.00 C ATOM 1101 O TYR A 78 -4.914 12.270 7.487 1.00 0.00 O ATOM 1102 CB TYR A 78 -4.968 9.564 5.381 1.00 0.00 C ATOM 1103 CG TYR A 78 -4.626 10.716 4.466 1.00 0.00 C ATOM 1104 CD1 TYR A 78 -5.648 11.437 3.834 1.00 0.00 C ATOM 1105 CD2 TYR A 78 -3.288 11.096 4.279 1.00 0.00 C ATOM 1106 CE1 TYR A 78 -5.354 12.578 3.066 1.00 0.00 C ATOM 1107 CE2 TYR A 78 -2.993 12.198 3.465 1.00 0.00 C ATOM 1108 CZ TYR A 78 -4.014 12.954 2.868 1.00 0.00 C ATOM 1109 OH TYR A 78 -3.656 14.068 2.179 1.00 0.00 O ATOM 0 H TYR A 78 -7.046 11.291 6.579 1.00 0.00 H new ATOM 0 HA TYR A 78 -5.236 9.169 7.474 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -4.105 8.902 5.457 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -5.776 8.984 4.936 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -6.673 11.113 3.938 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -2.493 10.544 4.758 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -6.152 13.161 2.631 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -1.962 12.470 3.294 1.00 0.00 H new ATOM 0 HH TYR A 78 -4.035 14.859 2.616 1.00 0.00 H new ATOM 1119 N ALA A 79 -3.218 10.813 7.637 1.00 0.00 N ATOM 1120 CA ALA A 79 -2.212 11.763 8.108 1.00 0.00 C ATOM 1121 C ALA A 79 -0.817 11.377 7.597 1.00 0.00 C ATOM 1122 O ALA A 79 -0.539 10.197 7.369 1.00 0.00 O ATOM 1123 CB ALA A 79 -2.234 11.811 9.641 1.00 0.00 C ATOM 0 H ALA A 79 -2.854 9.864 7.545 1.00 0.00 H new ATOM 0 HA ALA A 79 -2.447 12.753 7.716 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -1.484 12.519 9.994 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -3.220 12.127 9.981 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -2.013 10.821 10.039 1.00 0.00 H new ATOM 1129 N LEU A 80 0.071 12.370 7.459 1.00 0.00 N ATOM 1130 CA LEU A 80 1.363 12.268 6.774 1.00 0.00 C ATOM 1131 C LEU A 80 2.469 12.730 7.702 1.00 0.00 C ATOM 1132 O LEU A 80 2.705 13.932 7.830 1.00 0.00 O ATOM 1133 CB LEU A 80 1.374 13.154 5.514 1.00 0.00 C ATOM 1134 CG LEU A 80 0.352 12.777 4.446 1.00 0.00 C ATOM 1135 CD1 LEU A 80 0.520 13.715 3.244 1.00 0.00 C ATOM 1136 CD2 LEU A 80 0.511 11.311 4.035 1.00 0.00 C ATOM 0 H LEU A 80 -0.099 13.302 7.837 1.00 0.00 H new ATOM 0 HA LEU A 80 1.521 11.228 6.488 1.00 0.00 H new ATOM 0 HB2 LEU A 80 1.198 14.187 5.814 1.00 0.00 H new ATOM 0 HB3 LEU A 80 2.369 13.116 5.071 1.00 0.00 H new ATOM 0 HG LEU A 80 -0.655 12.890 4.847 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -0.206 13.454 2.474 1.00 0.00 H new ATOM 0 HD12 LEU A 80 0.358 14.745 3.561 1.00 0.00 H new ATOM 0 HD13 LEU A 80 1.528 13.613 2.841 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -0.228 11.065 3.273 1.00 0.00 H new ATOM 0 HD22 LEU A 80 1.512 11.152 3.635 1.00 0.00 H new ATOM 0 HD23 LEU A 80 0.362 10.671 4.905 1.00 0.00 H new ATOM 1148 N LYS A 81 3.133 11.798 8.376 1.00 0.00 N ATOM 1149 CA LYS A 81 4.087 12.123 9.429 1.00 0.00 C ATOM 1150 C LYS A 81 5.021 10.953 9.658 1.00 0.00 C ATOM 1151 O LYS A 81 4.804 9.883 9.111 1.00 0.00 O ATOM 1152 CB LYS A 81 3.316 12.510 10.701 1.00 0.00 C ATOM 1153 CG LYS A 81 2.372 11.427 11.257 1.00 0.00 C ATOM 1154 CD LYS A 81 1.151 12.056 11.942 1.00 0.00 C ATOM 1155 CE LYS A 81 1.560 12.997 13.082 1.00 0.00 C ATOM 1156 NZ LYS A 81 0.413 13.372 13.934 1.00 0.00 N ATOM 0 H LYS A 81 3.025 10.798 8.208 1.00 0.00 H new ATOM 0 HA LYS A 81 4.703 12.973 9.136 1.00 0.00 H new ATOM 0 HB2 LYS A 81 4.036 12.773 11.476 1.00 0.00 H new ATOM 0 HB3 LYS A 81 2.731 13.406 10.492 1.00 0.00 H new ATOM 0 HG2 LYS A 81 2.043 10.776 10.447 1.00 0.00 H new ATOM 0 HG3 LYS A 81 2.910 10.802 11.969 1.00 0.00 H new ATOM 0 HD2 LYS A 81 0.566 12.608 11.207 1.00 0.00 H new ATOM 0 HD3 LYS A 81 0.508 11.268 12.334 1.00 0.00 H new ATOM 0 HE2 LYS A 81 2.322 12.514 13.694 1.00 0.00 H new ATOM 0 HE3 LYS A 81 2.010 13.898 12.664 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 0.736 14.008 14.691 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -0.304 13.856 13.357 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -0.001 12.516 14.355 1.00 0.00 H new ATOM 1170 N ASP A 82 6.060 11.132 10.461 1.00 0.00 N ATOM 1171 CA ASP A 82 6.952 10.085 10.924 1.00 0.00 C ATOM 1172 C ASP A 82 7.618 9.286 9.791 1.00 0.00 C ATOM 1173 O ASP A 82 8.085 8.156 9.973 1.00 0.00 O ATOM 1174 CB ASP A 82 6.213 9.243 11.966 1.00 0.00 C ATOM 1175 CG ASP A 82 5.629 10.048 13.130 1.00 0.00 C ATOM 1176 OD1 ASP A 82 6.239 11.058 13.558 1.00 0.00 O ATOM 1177 OD2 ASP A 82 4.563 9.644 13.639 1.00 0.00 O ATOM 0 H ASP A 82 6.313 12.052 10.822 1.00 0.00 H new ATOM 0 HA ASP A 82 7.816 10.538 11.411 1.00 0.00 H new ATOM 0 HB2 ASP A 82 5.405 8.703 11.472 1.00 0.00 H new ATOM 0 HB3 ASP A 82 6.899 8.496 12.365 1.00 0.00 H new ATOM 1182 N GLY A 83 7.714 9.889 8.600 1.00 0.00 N ATOM 1183 CA GLY A 83 8.236 9.245 7.405 1.00 0.00 C ATOM 1184 C GLY A 83 7.367 8.067 6.979 1.00 0.00 C ATOM 1185 O GLY A 83 7.892 7.117 6.393 1.00 0.00 O ATOM 0 H GLY A 83 7.424 10.855 8.445 1.00 0.00 H new ATOM 0 HA2 GLY A 83 8.290 9.971 6.594 1.00 0.00 H new ATOM 0 HA3 GLY A 83 9.253 8.899 7.592 1.00 0.00 H new ATOM 1189 N LYS A 84 6.079 8.063 7.339 1.00 0.00 N ATOM 1190 CA LYS A 84 5.151 6.997 7.004 1.00 0.00 C ATOM 1191 C LYS A 84 3.752 7.540 6.738 1.00 0.00 C ATOM 1192 O LYS A 84 3.415 8.679 7.067 1.00 0.00 O ATOM 1193 CB LYS A 84 5.217 5.908 8.090 1.00 0.00 C ATOM 1194 CG LYS A 84 4.635 6.311 9.449 1.00 0.00 C ATOM 1195 CD LYS A 84 5.349 5.590 10.601 1.00 0.00 C ATOM 1196 CE LYS A 84 4.613 5.885 11.908 1.00 0.00 C ATOM 1197 NZ LYS A 84 5.319 5.361 13.093 1.00 0.00 N ATOM 0 H LYS A 84 5.653 8.816 7.880 1.00 0.00 H new ATOM 0 HA LYS A 84 5.442 6.525 6.065 1.00 0.00 H new ATOM 0 HB2 LYS A 84 4.686 5.026 7.732 1.00 0.00 H new ATOM 0 HB3 LYS A 84 6.258 5.618 8.229 1.00 0.00 H new ATOM 0 HG2 LYS A 84 4.727 7.389 9.580 1.00 0.00 H new ATOM 0 HG3 LYS A 84 3.571 6.076 9.475 1.00 0.00 H new ATOM 0 HD2 LYS A 84 5.371 4.516 10.416 1.00 0.00 H new ATOM 0 HD3 LYS A 84 6.385 5.923 10.669 1.00 0.00 H new ATOM 0 HE2 LYS A 84 4.487 6.963 12.013 1.00 0.00 H new ATOM 0 HE3 LYS A 84 3.615 5.450 11.864 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 4.776 5.589 13.950 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 5.417 4.329 13.010 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 6.262 5.795 13.155 1.00 0.00 H new ATOM 1211 N LEU A 85 2.931 6.740 6.070 1.00 0.00 N ATOM 1212 CA LEU A 85 1.515 7.055 5.933 1.00 0.00 C ATOM 1213 C LEU A 85 0.832 6.666 7.249 1.00 0.00 C ATOM 1214 O LEU A 85 1.339 5.821 7.978 1.00 0.00 O ATOM 1215 CB LEU A 85 0.989 6.301 4.701 1.00 0.00 C ATOM 1216 CG LEU A 85 -0.483 6.544 4.325 1.00 0.00 C ATOM 1217 CD1 LEU A 85 -0.864 8.023 4.233 1.00 0.00 C ATOM 1218 CD2 LEU A 85 -0.726 5.899 2.954 1.00 0.00 C ATOM 0 H LEU A 85 3.219 5.873 5.617 1.00 0.00 H new ATOM 0 HA LEU A 85 1.312 8.113 5.767 1.00 0.00 H new ATOM 0 HB2 LEU A 85 1.609 6.570 3.846 1.00 0.00 H new ATOM 0 HB3 LEU A 85 1.126 5.233 4.870 1.00 0.00 H new ATOM 0 HG LEU A 85 -1.096 6.111 5.116 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -1.917 8.112 3.964 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -0.694 8.503 5.197 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -0.253 8.510 3.473 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -1.763 6.054 2.658 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -0.066 6.354 2.216 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -0.521 4.830 3.013 1.00 0.00 H new ATOM 1230 N SER A 86 -0.321 7.239 7.579 1.00 0.00 N ATOM 1231 CA SER A 86 -1.183 6.701 8.624 1.00 0.00 C ATOM 1232 C SER A 86 -2.631 7.022 8.270 1.00 0.00 C ATOM 1233 O SER A 86 -2.884 7.946 7.493 1.00 0.00 O ATOM 1234 CB SER A 86 -0.748 7.224 10.003 1.00 0.00 C ATOM 1235 OG SER A 86 -0.525 8.626 10.019 1.00 0.00 O ATOM 0 H SER A 86 -0.682 8.083 7.133 1.00 0.00 H new ATOM 0 HA SER A 86 -1.094 5.616 8.686 1.00 0.00 H new ATOM 0 HB2 SER A 86 -1.513 6.975 10.738 1.00 0.00 H new ATOM 0 HB3 SER A 86 0.165 6.713 10.308 1.00 0.00 H new ATOM 0 HG SER A 86 -0.716 8.998 9.132 1.00 0.00 H new ATOM 1241 N PHE A 87 -3.570 6.271 8.844 1.00 0.00 N ATOM 1242 CA PHE A 87 -5.001 6.426 8.624 1.00 0.00 C ATOM 1243 C PHE A 87 -5.721 6.412 9.971 1.00 0.00 C ATOM 1244 O PHE A 87 -5.133 6.015 10.980 1.00 0.00 O ATOM 1245 CB PHE A 87 -5.526 5.324 7.697 1.00 0.00 C ATOM 1246 CG PHE A 87 -4.981 5.320 6.275 1.00 0.00 C ATOM 1247 CD1 PHE A 87 -3.786 4.639 5.979 1.00 0.00 C ATOM 1248 CD2 PHE A 87 -5.701 5.928 5.227 1.00 0.00 C ATOM 1249 CE1 PHE A 87 -3.350 4.501 4.651 1.00 0.00 C ATOM 1250 CE2 PHE A 87 -5.256 5.802 3.896 1.00 0.00 C ATOM 1251 CZ PHE A 87 -4.094 5.072 3.606 1.00 0.00 C ATOM 0 H PHE A 87 -3.346 5.517 9.493 1.00 0.00 H new ATOM 0 HA PHE A 87 -5.194 7.380 8.134 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -5.302 4.359 8.152 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -6.612 5.408 7.647 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -3.198 4.218 6.781 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -6.596 6.492 5.445 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -2.443 3.956 4.434 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -5.812 6.269 3.096 1.00 0.00 H new ATOM 0 HZ PHE A 87 -3.773 4.949 2.582 1.00 0.00 H new ATOM 1261 N GLY A 88 -6.982 6.837 9.998 1.00 0.00 N ATOM 1262 CA GLY A 88 -7.852 6.753 11.167 1.00 0.00 C ATOM 1263 C GLY A 88 -8.835 5.602 11.023 1.00 0.00 C ATOM 1264 O GLY A 88 -8.580 4.653 10.284 1.00 0.00 O ATOM 0 H GLY A 88 -7.437 7.259 9.189 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -7.250 6.614 12.065 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -8.396 7.689 11.290 1.00 0.00 H new ATOM 1268 N THR A 89 -9.962 5.695 11.728 1.00 0.00 N ATOM 1269 CA THR A 89 -11.118 4.832 11.545 1.00 0.00 C ATOM 1270 C THR A 89 -11.606 4.899 10.090 1.00 0.00 C ATOM 1271 O THR A 89 -12.333 5.808 9.680 1.00 0.00 O ATOM 1272 CB THR A 89 -12.175 5.152 12.622 1.00 0.00 C ATOM 1273 OG1 THR A 89 -13.260 4.254 12.549 1.00 0.00 O ATOM 1274 CG2 THR A 89 -12.730 6.581 12.615 1.00 0.00 C ATOM 0 H THR A 89 -10.095 6.392 12.460 1.00 0.00 H new ATOM 0 HA THR A 89 -10.860 3.784 11.698 1.00 0.00 H new ATOM 0 HB THR A 89 -11.623 5.043 13.556 1.00 0.00 H new ATOM 0 HG1 THR A 89 -13.916 4.476 13.242 1.00 0.00 H new ATOM 0 HG21 THR A 89 -13.464 6.690 13.414 1.00 0.00 H new ATOM 0 HG22 THR A 89 -11.916 7.288 12.771 1.00 0.00 H new ATOM 0 HG23 THR A 89 -13.206 6.782 11.655 1.00 0.00 H new ATOM 1282 N LEU A 90 -11.139 3.946 9.292 1.00 0.00 N ATOM 1283 CA LEU A 90 -11.601 3.611 7.962 1.00 0.00 C ATOM 1284 C LEU A 90 -12.796 2.678 8.056 1.00 0.00 C ATOM 1285 O LEU A 90 -12.889 1.879 8.993 1.00 0.00 O ATOM 1286 CB LEU A 90 -10.472 2.847 7.260 1.00 0.00 C ATOM 1287 CG LEU A 90 -9.203 3.690 7.053 1.00 0.00 C ATOM 1288 CD1 LEU A 90 -7.990 2.772 7.034 1.00 0.00 C ATOM 1289 CD2 LEU A 90 -9.307 4.481 5.760 1.00 0.00 C ATOM 0 H LEU A 90 -10.369 3.345 9.586 1.00 0.00 H new ATOM 0 HA LEU A 90 -11.878 4.518 7.424 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -10.221 1.964 7.847 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -10.828 2.496 6.292 1.00 0.00 H new ATOM 0 HG LEU A 90 -9.094 4.400 7.873 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -7.087 3.365 6.887 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -7.923 2.238 7.982 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -8.089 2.055 6.219 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -8.403 5.075 5.623 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -9.421 3.794 4.921 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -10.172 5.143 5.807 1.00 0.00 H new ATOM 1301 N GLY A 91 -13.615 2.659 7.011 1.00 0.00 N ATOM 1302 CA GLY A 91 -14.602 1.619 6.820 1.00 0.00 C ATOM 1303 C GLY A 91 -15.245 1.723 5.450 1.00 0.00 C ATOM 1304 O GLY A 91 -15.119 2.735 4.751 1.00 0.00 O ATOM 0 H GLY A 91 -13.609 3.366 6.276 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -14.132 0.642 6.931 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -15.368 1.694 7.592 1.00 0.00 H new ATOM 1308 N GLY A 92 -15.955 0.672 5.072 1.00 0.00 N ATOM 1309 CA GLY A 92 -16.638 0.539 3.805 1.00 0.00 C ATOM 1310 C GLY A 92 -17.666 -0.582 3.930 1.00 0.00 C ATOM 1311 O GLY A 92 -17.887 -1.118 5.018 1.00 0.00 O ATOM 0 H GLY A 92 -16.073 -0.146 5.670 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -17.128 1.475 3.538 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -15.926 0.314 3.011 1.00 0.00 H new ATOM 1315 N THR A 93 -18.320 -0.921 2.825 1.00 0.00 N ATOM 1316 CA THR A 93 -19.350 -1.945 2.786 1.00 0.00 C ATOM 1317 C THR A 93 -18.731 -3.338 2.932 1.00 0.00 C ATOM 1318 O THR A 93 -17.507 -3.504 2.957 1.00 0.00 O ATOM 1319 CB THR A 93 -20.172 -1.782 1.487 1.00 0.00 C ATOM 1320 OG1 THR A 93 -19.443 -1.175 0.432 1.00 0.00 O ATOM 1321 CG2 THR A 93 -21.382 -0.893 1.763 1.00 0.00 C ATOM 0 H THR A 93 -18.145 -0.484 1.920 1.00 0.00 H new ATOM 0 HA THR A 93 -20.032 -1.828 3.628 1.00 0.00 H new ATOM 0 HB THR A 93 -20.453 -2.789 1.178 1.00 0.00 H new ATOM 0 HG1 THR A 93 -19.494 -0.200 0.518 1.00 0.00 H new ATOM 0 HG21 THR A 93 -21.964 -0.776 0.849 1.00 0.00 H new ATOM 0 HG22 THR A 93 -22.003 -1.352 2.532 1.00 0.00 H new ATOM 0 HG23 THR A 93 -21.044 0.085 2.106 1.00 0.00 H new ATOM 1329 N ARG A 94 -19.588 -4.355 3.038 1.00 0.00 N ATOM 1330 CA ARG A 94 -19.227 -5.757 3.029 1.00 0.00 C ATOM 1331 C ARG A 94 -20.047 -6.428 1.929 1.00 0.00 C ATOM 1332 O ARG A 94 -21.063 -7.066 2.192 1.00 0.00 O ATOM 1333 CB ARG A 94 -19.453 -6.362 4.419 1.00 0.00 C ATOM 1334 CG ARG A 94 -18.665 -5.673 5.546 1.00 0.00 C ATOM 1335 CD ARG A 94 -19.395 -4.487 6.196 1.00 0.00 C ATOM 1336 NE ARG A 94 -18.824 -4.144 7.507 1.00 0.00 N ATOM 1337 CZ ARG A 94 -19.140 -4.687 8.689 1.00 0.00 C ATOM 1338 NH1 ARG A 94 -19.937 -5.751 8.759 1.00 0.00 N ATOM 1339 NH2 ARG A 94 -18.655 -4.159 9.805 1.00 0.00 N ATOM 0 H ARG A 94 -20.593 -4.208 3.136 1.00 0.00 H new ATOM 0 HA ARG A 94 -18.170 -5.909 2.811 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -20.516 -6.315 4.654 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -19.179 -7.417 4.392 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -18.436 -6.410 6.316 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -17.713 -5.323 5.146 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -19.338 -3.620 5.537 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -20.451 -4.730 6.312 1.00 0.00 H new ATOM 0 HE ARG A 94 -18.111 -3.415 7.517 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -20.315 -6.162 7.905 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -20.170 -6.155 9.666 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -18.044 -3.343 9.760 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -18.893 -4.569 10.708 1.00 0.00 H new ATOM 1353 N MET A 95 -19.684 -6.166 0.677 1.00 0.00 N ATOM 1354 CA MET A 95 -20.211 -6.812 -0.517 1.00 0.00 C ATOM 1355 C MET A 95 -19.662 -8.236 -0.596 1.00 0.00 C ATOM 1356 O MET A 95 -18.638 -8.557 0.021 1.00 0.00 O ATOM 1357 CB MET A 95 -19.795 -6.016 -1.771 1.00 0.00 C ATOM 1358 CG MET A 95 -20.486 -4.645 -1.820 1.00 0.00 C ATOM 1359 SD MET A 95 -20.147 -3.607 -3.273 1.00 0.00 S ATOM 1360 CE MET A 95 -18.661 -2.750 -2.718 1.00 0.00 C ATOM 0 H MET A 95 -18.979 -5.462 0.459 1.00 0.00 H new ATOM 0 HA MET A 95 -21.299 -6.843 -0.468 1.00 0.00 H new ATOM 0 HB2 MET A 95 -18.713 -5.880 -1.775 1.00 0.00 H new ATOM 0 HB3 MET A 95 -20.048 -6.585 -2.666 1.00 0.00 H new ATOM 0 HG2 MET A 95 -21.563 -4.805 -1.761 1.00 0.00 H new ATOM 0 HG3 MET A 95 -20.197 -4.087 -0.929 1.00 0.00 H new ATOM 0 HE1 MET A 95 -18.551 -1.818 -3.272 1.00 0.00 H new ATOM 0 HE2 MET A 95 -18.743 -2.532 -1.653 1.00 0.00 H new ATOM 0 HE3 MET A 95 -17.790 -3.381 -2.893 1.00 0.00 H new ATOM 1370 N ALA A 96 -20.309 -9.083 -1.396 1.00 0.00 N ATOM 1371 CA ALA A 96 -19.867 -10.439 -1.683 1.00 0.00 C ATOM 1372 C ALA A 96 -19.313 -10.504 -3.105 1.00 0.00 C ATOM 1373 O ALA A 96 -19.965 -10.018 -4.030 1.00 0.00 O ATOM 1374 CB ALA A 96 -21.045 -11.394 -1.528 1.00 0.00 C ATOM 0 H ALA A 96 -21.176 -8.835 -1.872 1.00 0.00 H new ATOM 0 HA ALA A 96 -19.080 -10.729 -0.987 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -20.719 -12.412 -1.742 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -21.424 -11.342 -0.507 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -21.836 -11.112 -2.224 1.00 0.00 H new ATOM 1380 N CYS A 97 -18.147 -11.131 -3.281 1.00 0.00 N ATOM 1381 CA CYS A 97 -17.613 -11.525 -4.592 1.00 0.00 C ATOM 1382 C CYS A 97 -17.232 -12.997 -4.669 1.00 0.00 C ATOM 1383 O CYS A 97 -16.915 -13.461 -5.762 1.00 0.00 O ATOM 1384 CB CYS A 97 -16.356 -10.728 -4.941 1.00 0.00 C ATOM 1385 SG CYS A 97 -16.656 -9.022 -5.482 1.00 0.00 S ATOM 0 H CYS A 97 -17.536 -11.384 -2.505 1.00 0.00 H new ATOM 0 HA CYS A 97 -18.423 -11.322 -5.293 1.00 0.00 H new ATOM 0 HB2 CYS A 97 -15.703 -10.707 -4.068 1.00 0.00 H new ATOM 0 HB3 CYS A 97 -15.818 -11.254 -5.729 1.00 0.00 H new ATOM 1390 N MET A 98 -17.232 -13.710 -3.535 1.00 0.00 N ATOM 1391 CA MET A 98 -16.866 -15.120 -3.415 1.00 0.00 C ATOM 1392 C MET A 98 -15.589 -15.480 -4.190 1.00 0.00 C ATOM 1393 O MET A 98 -15.537 -16.468 -4.923 1.00 0.00 O ATOM 1394 CB MET A 98 -18.090 -16.010 -3.684 1.00 0.00 C ATOM 1395 CG MET A 98 -18.717 -15.931 -5.082 1.00 0.00 C ATOM 1396 SD MET A 98 -20.339 -16.727 -5.208 1.00 0.00 S ATOM 1397 CE MET A 98 -21.387 -15.396 -4.549 1.00 0.00 C ATOM 0 H MET A 98 -17.499 -13.299 -2.641 1.00 0.00 H new ATOM 0 HA MET A 98 -16.574 -15.325 -2.385 1.00 0.00 H new ATOM 0 HB2 MET A 98 -17.803 -17.045 -3.500 1.00 0.00 H new ATOM 0 HB3 MET A 98 -18.859 -15.758 -2.954 1.00 0.00 H new ATOM 0 HG2 MET A 98 -18.815 -14.883 -5.366 1.00 0.00 H new ATOM 0 HG3 MET A 98 -18.040 -16.394 -5.799 1.00 0.00 H new ATOM 0 HE1 MET A 98 -22.429 -15.717 -4.554 1.00 0.00 H new ATOM 0 HE2 MET A 98 -21.083 -15.165 -3.528 1.00 0.00 H new ATOM 0 HE3 MET A 98 -21.279 -14.507 -5.170 1.00 0.00 H new ATOM 1407 N THR A 99 -14.543 -14.673 -4.004 1.00 0.00 N ATOM 1408 CA THR A 99 -13.227 -14.871 -4.592 1.00 0.00 C ATOM 1409 C THR A 99 -12.134 -14.631 -3.546 1.00 0.00 C ATOM 1410 O THR A 99 -12.338 -13.839 -2.615 1.00 0.00 O ATOM 1411 CB THR A 99 -13.031 -13.924 -5.787 1.00 0.00 C ATOM 1412 OG1 THR A 99 -13.440 -12.605 -5.463 1.00 0.00 O ATOM 1413 CG2 THR A 99 -13.772 -14.408 -7.030 1.00 0.00 C ATOM 0 H THR A 99 -14.595 -13.838 -3.420 1.00 0.00 H new ATOM 0 HA THR A 99 -13.155 -15.901 -4.943 1.00 0.00 H new ATOM 0 HB THR A 99 -11.965 -13.920 -6.013 1.00 0.00 H new ATOM 0 HG1 THR A 99 -13.304 -12.021 -6.238 1.00 0.00 H new ATOM 0 HG21 THR A 99 -13.605 -13.708 -7.849 1.00 0.00 H new ATOM 0 HG22 THR A 99 -13.402 -15.393 -7.314 1.00 0.00 H new ATOM 0 HG23 THR A 99 -14.839 -14.469 -6.817 1.00 0.00 H new ATOM 1421 N PRO A 100 -10.936 -15.212 -3.739 1.00 0.00 N ATOM 1422 CA PRO A 100 -9.796 -14.990 -2.859 1.00 0.00 C ATOM 1423 C PRO A 100 -9.208 -13.583 -3.030 1.00 0.00 C ATOM 1424 O PRO A 100 -8.611 -13.051 -2.094 1.00 0.00 O ATOM 1425 CB PRO A 100 -8.789 -16.086 -3.223 1.00 0.00 C ATOM 1426 CG PRO A 100 -9.091 -16.376 -4.694 1.00 0.00 C ATOM 1427 CD PRO A 100 -10.592 -16.143 -4.806 1.00 0.00 C ATOM 0 HA PRO A 100 -10.081 -15.044 -1.808 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -7.762 -15.749 -3.083 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -8.921 -16.973 -2.604 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -8.532 -15.714 -5.356 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -8.823 -17.397 -4.964 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -10.851 -15.731 -5.781 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -11.141 -17.079 -4.699 1.00 0.00 H new ATOM 1435 N GLY A 101 -9.389 -12.948 -4.196 1.00 0.00 N ATOM 1436 CA GLY A 101 -9.074 -11.535 -4.368 1.00 0.00 C ATOM 1437 C GLY A 101 -10.179 -10.643 -3.813 1.00 0.00 C ATOM 1438 O GLY A 101 -9.900 -9.494 -3.506 1.00 0.00 O ATOM 0 H GLY A 101 -9.754 -13.399 -5.035 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -8.134 -11.307 -3.865 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -8.929 -11.320 -5.427 1.00 0.00 H new ATOM 1442 N GLY A 102 -11.400 -11.151 -3.620 1.00 0.00 N ATOM 1443 CA GLY A 102 -12.479 -10.416 -2.988 1.00 0.00 C ATOM 1444 C GLY A 102 -12.248 -10.325 -1.485 1.00 0.00 C ATOM 1445 O GLY A 102 -12.080 -9.234 -0.942 1.00 0.00 O ATOM 0 H GLY A 102 -11.661 -12.095 -3.904 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -12.544 -9.415 -3.414 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -13.430 -10.910 -3.187 1.00 0.00 H new ATOM 1449 N GLN A 103 -12.243 -11.472 -0.801 1.00 0.00 N ATOM 1450 CA GLN A 103 -12.334 -11.530 0.659 1.00 0.00 C ATOM 1451 C GLN A 103 -11.042 -11.121 1.378 1.00 0.00 C ATOM 1452 O GLN A 103 -11.021 -11.042 2.609 1.00 0.00 O ATOM 1453 CB GLN A 103 -12.794 -12.924 1.103 1.00 0.00 C ATOM 1454 CG GLN A 103 -14.188 -13.248 0.549 1.00 0.00 C ATOM 1455 CD GLN A 103 -14.818 -14.400 1.316 1.00 0.00 C ATOM 1456 OE1 GLN A 103 -14.470 -15.559 1.121 1.00 0.00 O ATOM 1457 NE2 GLN A 103 -15.741 -14.122 2.220 1.00 0.00 N ATOM 0 H GLN A 103 -12.176 -12.388 -1.245 1.00 0.00 H new ATOM 0 HA GLN A 103 -13.077 -10.789 0.953 1.00 0.00 H new ATOM 0 HB2 GLN A 103 -12.080 -13.673 0.760 1.00 0.00 H new ATOM 0 HB3 GLN A 103 -12.811 -12.975 2.192 1.00 0.00 H new ATOM 0 HG2 GLN A 103 -14.826 -12.367 0.618 1.00 0.00 H new ATOM 0 HG3 GLN A 103 -14.114 -13.506 -0.508 1.00 0.00 H new ATOM 0 HE21 GLN A 103 -16.026 -13.155 2.377 1.00 0.00 H new ATOM 0 HE22 GLN A 103 -16.168 -14.874 2.760 1.00 0.00 H new ATOM 1466 N ILE A 104 -9.968 -10.829 0.636 1.00 0.00 N ATOM 1467 CA ILE A 104 -8.782 -10.174 1.179 1.00 0.00 C ATOM 1468 C ILE A 104 -9.096 -8.753 1.678 1.00 0.00 C ATOM 1469 O ILE A 104 -8.336 -8.201 2.469 1.00 0.00 O ATOM 1470 CB ILE A 104 -7.662 -10.205 0.126 1.00 0.00 C ATOM 1471 CG1 ILE A 104 -6.321 -10.057 0.860 1.00 0.00 C ATOM 1472 CG2 ILE A 104 -7.865 -9.155 -0.978 1.00 0.00 C ATOM 1473 CD1 ILE A 104 -5.126 -10.077 -0.072 1.00 0.00 C ATOM 0 H ILE A 104 -9.901 -11.042 -0.359 1.00 0.00 H new ATOM 0 HA ILE A 104 -8.436 -10.719 2.057 1.00 0.00 H new ATOM 0 HB ILE A 104 -7.677 -11.158 -0.404 1.00 0.00 H new ATOM 0 HG12 ILE A 104 -6.322 -9.122 1.420 1.00 0.00 H new ATOM 0 HG13 ILE A 104 -6.221 -10.863 1.587 1.00 0.00 H new ATOM 0 HG21 ILE A 104 -7.047 -9.219 -1.696 1.00 0.00 H new ATOM 0 HG22 ILE A 104 -8.810 -9.341 -1.488 1.00 0.00 H new ATOM 0 HG23 ILE A 104 -7.882 -8.159 -0.535 1.00 0.00 H new ATOM 0 HD11 ILE A 104 -4.210 -9.968 0.509 1.00 0.00 H new ATOM 0 HD12 ILE A 104 -5.103 -11.023 -0.613 1.00 0.00 H new ATOM 0 HD13 ILE A 104 -5.205 -9.254 -0.783 1.00 0.00 H new ATOM 1485 N GLU A 105 -10.216 -8.167 1.246 1.00 0.00 N ATOM 1486 CA GLU A 105 -10.713 -6.866 1.671 1.00 0.00 C ATOM 1487 C GLU A 105 -10.662 -6.722 3.190 1.00 0.00 C ATOM 1488 O GLU A 105 -10.111 -5.742 3.691 1.00 0.00 O ATOM 1489 CB GLU A 105 -12.136 -6.730 1.122 1.00 0.00 C ATOM 1490 CG GLU A 105 -12.896 -5.492 1.610 1.00 0.00 C ATOM 1491 CD GLU A 105 -13.754 -5.767 2.844 1.00 0.00 C ATOM 1492 OE1 GLU A 105 -14.447 -6.811 2.863 1.00 0.00 O ATOM 1493 OE2 GLU A 105 -13.827 -4.926 3.757 1.00 0.00 O ATOM 0 H GLU A 105 -10.825 -8.611 0.559 1.00 0.00 H new ATOM 0 HA GLU A 105 -10.086 -6.063 1.282 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -12.090 -6.705 0.033 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -12.703 -7.619 1.397 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -12.182 -4.701 1.840 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -13.533 -5.123 0.806 1.00 0.00 H new ATOM 1500 N GLY A 106 -11.174 -7.724 3.907 1.00 0.00 N ATOM 1501 CA GLY A 106 -11.183 -7.742 5.355 1.00 0.00 C ATOM 1502 C GLY A 106 -9.788 -7.538 5.944 1.00 0.00 C ATOM 1503 O GLY A 106 -9.643 -6.764 6.898 1.00 0.00 O ATOM 0 H GLY A 106 -11.597 -8.551 3.485 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -11.848 -6.960 5.722 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -11.586 -8.693 5.702 1.00 0.00 H new ATOM 1507 N ALA A 107 -8.761 -8.183 5.369 1.00 0.00 N ATOM 1508 CA ALA A 107 -7.412 -8.044 5.877 1.00 0.00 C ATOM 1509 C ALA A 107 -6.861 -6.682 5.470 1.00 0.00 C ATOM 1510 O ALA A 107 -6.134 -6.067 6.241 1.00 0.00 O ATOM 1511 CB ALA A 107 -6.528 -9.179 5.348 1.00 0.00 C ATOM 0 H ALA A 107 -8.850 -8.798 4.560 1.00 0.00 H new ATOM 0 HA ALA A 107 -7.419 -8.108 6.965 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -5.516 -9.064 5.737 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -6.934 -10.137 5.672 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -6.504 -9.144 4.259 1.00 0.00 H new ATOM 1517 N TYR A 108 -7.188 -6.207 4.264 1.00 0.00 N ATOM 1518 CA TYR A 108 -6.642 -4.974 3.719 1.00 0.00 C ATOM 1519 C TYR A 108 -7.024 -3.782 4.589 1.00 0.00 C ATOM 1520 O TYR A 108 -6.167 -2.957 4.902 1.00 0.00 O ATOM 1521 CB TYR A 108 -7.105 -4.779 2.276 1.00 0.00 C ATOM 1522 CG TYR A 108 -6.494 -3.551 1.638 1.00 0.00 C ATOM 1523 CD1 TYR A 108 -7.123 -2.300 1.788 1.00 0.00 C ATOM 1524 CD2 TYR A 108 -5.273 -3.648 0.943 1.00 0.00 C ATOM 1525 CE1 TYR A 108 -6.569 -1.166 1.172 1.00 0.00 C ATOM 1526 CE2 TYR A 108 -4.696 -2.504 0.364 1.00 0.00 C ATOM 1527 CZ TYR A 108 -5.351 -1.258 0.464 1.00 0.00 C ATOM 1528 OH TYR A 108 -4.822 -0.158 -0.140 1.00 0.00 O ATOM 0 H TYR A 108 -7.844 -6.676 3.639 1.00 0.00 H new ATOM 0 HA TYR A 108 -5.554 -5.046 3.718 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -6.841 -5.659 1.690 1.00 0.00 H new ATOM 0 HB3 TYR A 108 -8.192 -4.695 2.254 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -8.026 -2.213 2.373 1.00 0.00 H new ATOM 0 HD2 TYR A 108 -4.778 -4.604 0.854 1.00 0.00 H new ATOM 0 HE1 TYR A 108 -7.079 -0.216 1.240 1.00 0.00 H new ATOM 0 HE2 TYR A 108 -3.753 -2.579 -0.157 1.00 0.00 H new ATOM 0 HH TYR A 108 -5.489 0.560 -0.155 1.00 0.00 H new ATOM 1538 N LEU A 109 -8.288 -3.694 5.014 1.00 0.00 N ATOM 1539 CA LEU A 109 -8.704 -2.642 5.937 1.00 0.00 C ATOM 1540 C LEU A 109 -7.942 -2.771 7.252 1.00 0.00 C ATOM 1541 O LEU A 109 -7.518 -1.760 7.814 1.00 0.00 O ATOM 1542 CB LEU A 109 -10.216 -2.695 6.207 1.00 0.00 C ATOM 1543 CG LEU A 109 -11.088 -1.909 5.216 1.00 0.00 C ATOM 1544 CD1 LEU A 109 -10.714 -0.427 5.120 1.00 0.00 C ATOM 1545 CD2 LEU A 109 -11.158 -2.530 3.829 1.00 0.00 C ATOM 0 H LEU A 109 -9.032 -4.333 4.735 1.00 0.00 H new ATOM 0 HA LEU A 109 -8.476 -1.682 5.473 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -10.534 -3.738 6.197 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -10.403 -2.314 7.211 1.00 0.00 H new ATOM 0 HG LEU A 109 -12.088 -1.971 5.646 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -11.369 0.068 4.403 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -10.827 0.041 6.098 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -9.679 -0.333 4.791 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -11.792 -1.917 3.188 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -10.156 -2.584 3.404 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -11.577 -3.534 3.901 1.00 0.00 H new ATOM 1557 N ASN A 110 -7.752 -3.999 7.745 1.00 0.00 N ATOM 1558 CA ASN A 110 -6.990 -4.273 8.965 1.00 0.00 C ATOM 1559 C ASN A 110 -5.509 -3.916 8.825 1.00 0.00 C ATOM 1560 O ASN A 110 -4.798 -3.827 9.824 1.00 0.00 O ATOM 1561 CB ASN A 110 -7.090 -5.764 9.326 1.00 0.00 C ATOM 1562 CG ASN A 110 -7.170 -6.001 10.829 1.00 0.00 C ATOM 1563 OD1 ASN A 110 -7.923 -6.865 11.272 1.00 0.00 O ATOM 1564 ND2 ASN A 110 -6.445 -5.246 11.635 1.00 0.00 N ATOM 0 H ASN A 110 -8.127 -4.838 7.303 1.00 0.00 H new ATOM 0 HA ASN A 110 -7.424 -3.650 9.747 1.00 0.00 H new ATOM 0 HB2 ASN A 110 -7.971 -6.191 8.848 1.00 0.00 H new ATOM 0 HB3 ASN A 110 -6.223 -6.290 8.925 1.00 0.00 H new ATOM 0 HD21 ASN A 110 -6.504 -5.375 12.645 1.00 0.00 H new ATOM 0 HD22 ASN A 110 -5.826 -4.534 11.247 1.00 0.00 H new ATOM 1571 N ALA A 111 -5.045 -3.771 7.590 1.00 0.00 N ATOM 1572 CA ALA A 111 -3.675 -3.525 7.190 1.00 0.00 C ATOM 1573 C ALA A 111 -3.434 -2.061 6.815 1.00 0.00 C ATOM 1574 O ALA A 111 -2.346 -1.744 6.341 1.00 0.00 O ATOM 1575 CB ALA A 111 -3.368 -4.448 6.003 1.00 0.00 C ATOM 0 H ALA A 111 -5.668 -3.828 6.785 1.00 0.00 H new ATOM 0 HA ALA A 111 -3.010 -3.734 8.028 1.00 0.00 H new ATOM 0 HB1 ALA A 111 -2.341 -4.289 5.675 1.00 0.00 H new ATOM 0 HB2 ALA A 111 -3.495 -5.487 6.308 1.00 0.00 H new ATOM 0 HB3 ALA A 111 -4.050 -4.225 5.183 1.00 0.00 H new ATOM 1581 N LEU A 112 -4.420 -1.168 6.933 1.00 0.00 N ATOM 1582 CA LEU A 112 -4.212 0.259 6.657 1.00 0.00 C ATOM 1583 C LEU A 112 -3.860 1.054 7.916 1.00 0.00 C ATOM 1584 O LEU A 112 -3.198 2.078 7.813 1.00 0.00 O ATOM 1585 CB LEU A 112 -5.449 0.878 5.998 1.00 0.00 C ATOM 1586 CG LEU A 112 -5.632 0.566 4.502 1.00 0.00 C ATOM 1587 CD1 LEU A 112 -6.991 1.116 4.060 1.00 0.00 C ATOM 1588 CD2 LEU A 112 -4.552 1.199 3.616 1.00 0.00 C ATOM 0 H LEU A 112 -5.370 -1.406 7.217 1.00 0.00 H new ATOM 0 HA LEU A 112 -3.365 0.316 5.973 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -6.334 0.534 6.533 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -5.402 1.960 6.122 1.00 0.00 H new ATOM 0 HG LEU A 112 -5.561 -0.515 4.385 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -7.142 0.906 3.001 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -7.782 0.641 4.640 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -7.018 2.193 4.223 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -4.739 0.941 2.574 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -4.576 2.283 3.731 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -3.572 0.824 3.913 1.00 0.00 H new ATOM 1600 N THR A 113 -4.275 0.626 9.106 1.00 0.00 N ATOM 1601 CA THR A 113 -4.002 1.366 10.345 1.00 0.00 C ATOM 1602 C THR A 113 -2.684 0.940 11.007 1.00 0.00 C ATOM 1603 O THR A 113 -2.181 1.640 11.887 1.00 0.00 O ATOM 1604 CB THR A 113 -5.221 1.260 11.285 1.00 0.00 C ATOM 1605 OG1 THR A 113 -5.999 0.107 10.997 1.00 0.00 O ATOM 1606 CG2 THR A 113 -6.132 2.480 11.119 1.00 0.00 C ATOM 0 H THR A 113 -4.805 -0.235 9.243 1.00 0.00 H new ATOM 0 HA THR A 113 -3.857 2.418 10.101 1.00 0.00 H new ATOM 0 HB THR A 113 -4.832 1.201 12.301 1.00 0.00 H new ATOM 0 HG1 THR A 113 -6.763 0.066 11.610 1.00 0.00 H new ATOM 0 HG21 THR A 113 -6.987 2.390 11.789 1.00 0.00 H new ATOM 0 HG22 THR A 113 -5.575 3.385 11.361 1.00 0.00 H new ATOM 0 HG23 THR A 113 -6.483 2.535 10.088 1.00 0.00 H new ATOM 1614 N HIS A 114 -2.092 -0.156 10.534 1.00 0.00 N ATOM 1615 CA HIS A 114 -0.748 -0.606 10.832 1.00 0.00 C ATOM 1616 C HIS A 114 0.101 -0.111 9.680 1.00 0.00 C ATOM 1617 O HIS A 114 -0.007 -0.630 8.564 1.00 0.00 O ATOM 1618 CB HIS A 114 -0.693 -2.131 10.840 1.00 0.00 C ATOM 1619 CG HIS A 114 -1.289 -2.780 12.045 1.00 0.00 C ATOM 1620 ND1 HIS A 114 -0.861 -2.665 13.344 1.00 0.00 N ATOM 1621 CD2 HIS A 114 -2.321 -3.666 12.016 1.00 0.00 C ATOM 1622 CE1 HIS A 114 -1.659 -3.443 14.093 1.00 0.00 C ATOM 1623 NE2 HIS A 114 -2.584 -4.053 13.328 1.00 0.00 N ATOM 0 H HIS A 114 -2.574 -0.787 9.894 1.00 0.00 H new ATOM 0 HA HIS A 114 -0.413 -0.241 11.803 1.00 0.00 H new ATOM 0 HB2 HIS A 114 -1.208 -2.502 9.954 1.00 0.00 H new ATOM 0 HB3 HIS A 114 0.348 -2.442 10.757 1.00 0.00 H new ATOM 0 HD1 HIS A 114 -0.083 -2.096 13.678 1.00 0.00 H new ATOM 0 HD2 HIS A 114 -2.843 -4.008 11.134 1.00 0.00 H new ATOM 0 HE1 HIS A 114 -1.571 -3.563 15.163 1.00 0.00 H new ATOM 1631 N ILE A 115 0.906 0.911 9.929 1.00 0.00 N ATOM 1632 CA ILE A 115 1.888 1.381 8.984 1.00 0.00 C ATOM 1633 C ILE A 115 3.147 1.618 9.814 1.00 0.00 C ATOM 1634 O ILE A 115 3.555 2.758 10.035 1.00 0.00 O ATOM 1635 CB ILE A 115 1.390 2.646 8.245 1.00 0.00 C ATOM 1636 CG1 ILE A 115 -0.062 2.625 7.701 1.00 0.00 C ATOM 1637 CG2 ILE A 115 2.415 2.987 7.147 1.00 0.00 C ATOM 1638 CD1 ILE A 115 -0.247 2.311 6.215 1.00 0.00 C ATOM 0 H ILE A 115 0.890 1.437 10.803 1.00 0.00 H new ATOM 0 HA ILE A 115 2.085 0.666 8.186 1.00 0.00 H new ATOM 0 HB ILE A 115 1.324 3.430 8.999 1.00 0.00 H new ATOM 0 HG12 ILE A 115 -0.627 1.890 8.275 1.00 0.00 H new ATOM 0 HG13 ILE A 115 -0.511 3.598 7.899 1.00 0.00 H new ATOM 0 HG21 ILE A 115 2.089 3.877 6.608 1.00 0.00 H new ATOM 0 HG22 ILE A 115 3.387 3.175 7.603 1.00 0.00 H new ATOM 0 HG23 ILE A 115 2.495 2.151 6.452 1.00 0.00 H new ATOM 0 HD11 ILE A 115 -1.309 2.329 5.969 1.00 0.00 H new ATOM 0 HD12 ILE A 115 0.277 3.057 5.617 1.00 0.00 H new ATOM 0 HD13 ILE A 115 0.159 1.323 5.999 1.00 0.00 H new ATOM 1650 N ASP A 116 3.722 0.548 10.368 1.00 0.00 N ATOM 1651 CA ASP A 116 4.931 0.722 11.169 1.00 0.00 C ATOM 1652 C ASP A 116 6.095 1.120 10.272 1.00 0.00 C ATOM 1653 O ASP A 116 6.887 1.943 10.738 1.00 0.00 O ATOM 1654 CB ASP A 116 5.302 -0.491 12.021 1.00 0.00 C ATOM 1655 CG ASP A 116 5.854 -0.137 13.412 1.00 0.00 C ATOM 1656 OD1 ASP A 116 5.382 0.823 14.068 1.00 0.00 O ATOM 1657 OD2 ASP A 116 6.797 -0.828 13.865 1.00 0.00 O ATOM 0 H ASP A 116 3.385 -0.411 10.282 1.00 0.00 H new ATOM 0 HA ASP A 116 4.711 1.519 11.879 1.00 0.00 H new ATOM 0 HB2 ASP A 116 4.420 -1.120 12.141 1.00 0.00 H new ATOM 0 HB3 ASP A 116 6.045 -1.083 11.487 1.00 0.00 H new ATOM 1662 N ARG A 117 6.209 0.658 9.001 1.00 0.00 N ATOM 1663 CA ARG A 117 7.109 1.390 8.113 1.00 0.00 C ATOM 1664 C ARG A 117 6.462 1.768 6.795 1.00 0.00 C ATOM 1665 O ARG A 117 5.334 1.391 6.472 1.00 0.00 O ATOM 1666 CB ARG A 117 8.392 0.584 7.935 1.00 0.00 C ATOM 1667 CG ARG A 117 9.335 0.591 9.112 1.00 0.00 C ATOM 1668 CD ARG A 117 10.617 -0.038 8.563 1.00 0.00 C ATOM 1669 NE ARG A 117 11.493 -0.448 9.655 1.00 0.00 N ATOM 1670 CZ ARG A 117 12.188 0.339 10.471 1.00 0.00 C ATOM 1671 NH1 ARG A 117 12.300 1.648 10.246 1.00 0.00 N ATOM 1672 NH2 ARG A 117 12.773 -0.216 11.524 1.00 0.00 N ATOM 0 H ARG A 117 5.729 -0.150 8.604 1.00 0.00 H new ATOM 0 HA ARG A 117 7.356 2.345 8.576 1.00 0.00 H new ATOM 0 HB2 ARG A 117 8.123 -0.449 7.714 1.00 0.00 H new ATOM 0 HB3 ARG A 117 8.923 0.968 7.064 1.00 0.00 H new ATOM 0 HG2 ARG A 117 9.511 1.603 9.476 1.00 0.00 H new ATOM 0 HG3 ARG A 117 8.935 0.017 9.948 1.00 0.00 H new ATOM 0 HD2 ARG A 117 10.370 -0.900 7.944 1.00 0.00 H new ATOM 0 HD3 ARG A 117 11.134 0.676 7.923 1.00 0.00 H new ATOM 0 HE ARG A 117 11.583 -1.452 9.810 1.00 0.00 H new ATOM 0 HH11 ARG A 117 11.847 2.066 9.433 1.00 0.00 H new ATOM 0 HH12 ARG A 117 12.839 2.231 10.886 1.00 0.00 H new ATOM 0 HH21 ARG A 117 12.682 -1.219 11.688 1.00 0.00 H new ATOM 0 HH22 ARG A 117 13.314 0.360 12.170 1.00 0.00 H new ATOM 1686 N THR A 118 7.192 2.563 6.026 1.00 0.00 N ATOM 1687 CA THR A 118 6.854 2.988 4.689 1.00 0.00 C ATOM 1688 C THR A 118 8.172 3.213 3.953 1.00 0.00 C ATOM 1689 O THR A 118 9.178 3.605 4.556 1.00 0.00 O ATOM 1690 CB THR A 118 6.030 4.278 4.791 1.00 0.00 C ATOM 1691 OG1 THR A 118 4.778 4.023 5.392 1.00 0.00 O ATOM 1692 CG2 THR A 118 5.753 4.990 3.465 1.00 0.00 C ATOM 0 H THR A 118 8.083 2.946 6.342 1.00 0.00 H new ATOM 0 HA THR A 118 6.259 2.252 4.147 1.00 0.00 H new ATOM 0 HB THR A 118 6.658 4.936 5.391 1.00 0.00 H new ATOM 0 HG1 THR A 118 4.743 3.090 5.691 1.00 0.00 H new ATOM 0 HG21 THR A 118 5.164 5.888 3.650 1.00 0.00 H new ATOM 0 HG22 THR A 118 6.697 5.265 2.996 1.00 0.00 H new ATOM 0 HG23 THR A 118 5.200 4.324 2.803 1.00 0.00 H new ATOM 1700 N GLY A 119 8.148 3.021 2.639 1.00 0.00 N ATOM 1701 CA GLY A 119 9.238 3.322 1.742 1.00 0.00 C ATOM 1702 C GLY A 119 8.649 4.004 0.523 1.00 0.00 C ATOM 1703 O GLY A 119 8.006 3.349 -0.294 1.00 0.00 O ATOM 0 H GLY A 119 7.334 2.636 2.159 1.00 0.00 H new ATOM 0 HA2 GLY A 119 9.968 3.969 2.229 1.00 0.00 H new ATOM 0 HA3 GLY A 119 9.762 2.410 1.456 1.00 0.00 H new ATOM 1707 N VAL A 120 8.838 5.315 0.376 1.00 0.00 N ATOM 1708 CA VAL A 120 8.449 5.997 -0.851 1.00 0.00 C ATOM 1709 C VAL A 120 9.610 5.881 -1.818 1.00 0.00 C ATOM 1710 O VAL A 120 10.648 6.519 -1.614 1.00 0.00 O ATOM 1711 CB VAL A 120 8.099 7.469 -0.608 1.00 0.00 C ATOM 1712 CG1 VAL A 120 7.492 8.042 -1.897 1.00 0.00 C ATOM 1713 CG2 VAL A 120 7.154 7.620 0.585 1.00 0.00 C ATOM 0 H VAL A 120 9.254 5.918 1.085 1.00 0.00 H new ATOM 0 HA VAL A 120 7.550 5.532 -1.256 1.00 0.00 H new ATOM 0 HB VAL A 120 9.000 8.030 -0.358 1.00 0.00 H new ATOM 0 HG11 VAL A 120 7.236 9.090 -1.744 1.00 0.00 H new ATOM 0 HG12 VAL A 120 8.216 7.960 -2.708 1.00 0.00 H new ATOM 0 HG13 VAL A 120 6.593 7.483 -2.156 1.00 0.00 H new ATOM 0 HG21 VAL A 120 6.922 8.675 0.735 1.00 0.00 H new ATOM 0 HG22 VAL A 120 6.233 7.070 0.391 1.00 0.00 H new ATOM 0 HG23 VAL A 120 7.632 7.223 1.480 1.00 0.00 H new ATOM 1723 N GLN A 121 9.468 5.076 -2.866 1.00 0.00 N ATOM 1724 CA GLN A 121 10.415 5.104 -3.959 1.00 0.00 C ATOM 1725 C GLN A 121 10.099 6.347 -4.801 1.00 0.00 C ATOM 1726 O GLN A 121 9.534 6.238 -5.892 1.00 0.00 O ATOM 1727 CB GLN A 121 10.361 3.775 -4.731 1.00 0.00 C ATOM 1728 CG GLN A 121 11.604 3.605 -5.623 1.00 0.00 C ATOM 1729 CD GLN A 121 11.307 3.321 -7.100 1.00 0.00 C ATOM 1730 OE1 GLN A 121 11.975 2.496 -7.715 1.00 0.00 O ATOM 1731 NE2 GLN A 121 10.380 4.044 -7.704 1.00 0.00 N ATOM 0 H GLN A 121 8.710 4.403 -2.975 1.00 0.00 H new ATOM 0 HA GLN A 121 11.447 5.189 -3.619 1.00 0.00 H new ATOM 0 HB2 GLN A 121 10.297 2.944 -4.028 1.00 0.00 H new ATOM 0 HB3 GLN A 121 9.461 3.743 -5.345 1.00 0.00 H new ATOM 0 HG2 GLN A 121 12.207 4.511 -5.557 1.00 0.00 H new ATOM 0 HG3 GLN A 121 12.209 2.790 -5.226 1.00 0.00 H new ATOM 0 HE21 GLN A 121 9.837 4.724 -7.172 1.00 0.00 H new ATOM 0 HE22 GLN A 121 10.208 3.922 -8.702 1.00 0.00 H new ATOM 1740 N MET A 122 10.429 7.541 -4.287 1.00 0.00 N ATOM 1741 CA MET A 122 10.364 8.799 -5.025 1.00 0.00 C ATOM 1742 C MET A 122 11.528 8.823 -6.018 1.00 0.00 C ATOM 1743 O MET A 122 12.544 9.483 -5.832 1.00 0.00 O ATOM 1744 CB MET A 122 10.314 10.028 -4.100 1.00 0.00 C ATOM 1745 CG MET A 122 10.186 11.306 -4.933 1.00 0.00 C ATOM 1746 SD MET A 122 8.996 12.497 -4.279 1.00 0.00 S ATOM 1747 CE MET A 122 7.436 11.650 -4.662 1.00 0.00 C ATOM 0 H MET A 122 10.754 7.655 -3.327 1.00 0.00 H new ATOM 0 HA MET A 122 9.427 8.856 -5.580 1.00 0.00 H new ATOM 0 HB2 MET A 122 9.470 9.944 -3.416 1.00 0.00 H new ATOM 0 HB3 MET A 122 11.216 10.071 -3.490 1.00 0.00 H new ATOM 0 HG2 MET A 122 11.164 11.784 -4.998 1.00 0.00 H new ATOM 0 HG3 MET A 122 9.894 11.037 -5.948 1.00 0.00 H new ATOM 0 HE1 MET A 122 6.598 12.274 -4.352 1.00 0.00 H new ATOM 0 HE2 MET A 122 7.375 11.467 -5.735 1.00 0.00 H new ATOM 0 HE3 MET A 122 7.397 10.700 -4.129 1.00 0.00 H new ATOM 1757 N ARG A 123 11.362 8.038 -7.073 1.00 0.00 N ATOM 1758 CA ARG A 123 12.208 7.885 -8.233 1.00 0.00 C ATOM 1759 C ARG A 123 11.204 7.567 -9.326 1.00 0.00 C ATOM 1760 O ARG A 123 10.492 6.586 -9.166 1.00 0.00 O ATOM 1761 CB ARG A 123 13.183 6.733 -7.994 1.00 0.00 C ATOM 1762 CG ARG A 123 14.226 6.689 -9.117 1.00 0.00 C ATOM 1763 CD ARG A 123 14.591 5.251 -9.449 1.00 0.00 C ATOM 1764 NE ARG A 123 15.276 4.579 -8.333 1.00 0.00 N ATOM 1765 CZ ARG A 123 15.499 3.266 -8.226 1.00 0.00 C ATOM 1766 NH1 ARG A 123 15.232 2.434 -9.230 1.00 0.00 N ATOM 1767 NH2 ARG A 123 16.003 2.804 -7.091 1.00 0.00 N ATOM 0 H ARG A 123 10.544 7.432 -7.137 1.00 0.00 H new ATOM 0 HA ARG A 123 12.824 8.751 -8.475 1.00 0.00 H new ATOM 0 HB2 ARG A 123 13.678 6.858 -7.031 1.00 0.00 H new ATOM 0 HB3 ARG A 123 12.640 5.789 -7.953 1.00 0.00 H new ATOM 0 HG2 ARG A 123 13.834 7.185 -10.005 1.00 0.00 H new ATOM 0 HG3 ARG A 123 15.119 7.236 -8.814 1.00 0.00 H new ATOM 0 HD2 ARG A 123 13.687 4.698 -9.704 1.00 0.00 H new ATOM 0 HD3 ARG A 123 15.233 5.235 -10.330 1.00 0.00 H new ATOM 0 HE ARG A 123 15.611 5.170 -7.572 1.00 0.00 H new ATOM 0 HH11 ARG A 123 14.849 2.795 -10.104 1.00 0.00 H new ATOM 0 HH12 ARG A 123 15.410 1.435 -9.126 1.00 0.00 H new ATOM 0 HH21 ARG A 123 16.211 3.446 -6.326 1.00 0.00 H new ATOM 0 HH22 ARG A 123 16.183 1.806 -6.982 1.00 0.00 H new ATOM 1781 N ALA A 124 10.988 8.428 -10.316 1.00 0.00 N ATOM 1782 CA ALA A 124 10.062 8.115 -11.392 1.00 0.00 C ATOM 1783 C ALA A 124 10.600 6.876 -12.139 1.00 0.00 C ATOM 1784 O ALA A 124 11.801 6.872 -12.421 1.00 0.00 O ATOM 1785 CB ALA A 124 9.897 9.333 -12.306 1.00 0.00 C ATOM 0 H ALA A 124 11.439 9.340 -10.393 1.00 0.00 H new ATOM 0 HA ALA A 124 9.070 7.880 -11.007 1.00 0.00 H new ATOM 0 HB1 ALA A 124 9.202 9.093 -13.111 1.00 0.00 H new ATOM 0 HB2 ALA A 124 9.508 10.171 -11.728 1.00 0.00 H new ATOM 0 HB3 ALA A 124 10.864 9.603 -12.730 1.00 0.00 H new ATOM 1791 N PRO A 125 9.781 5.865 -12.476 1.00 0.00 N ATOM 1792 CA PRO A 125 8.370 5.792 -12.147 1.00 0.00 C ATOM 1793 C PRO A 125 8.196 5.421 -10.678 1.00 0.00 C ATOM 1794 O PRO A 125 8.759 4.431 -10.198 1.00 0.00 O ATOM 1795 CB PRO A 125 7.761 4.745 -13.076 1.00 0.00 C ATOM 1796 CG PRO A 125 8.936 3.815 -13.360 1.00 0.00 C ATOM 1797 CD PRO A 125 10.164 4.729 -13.298 1.00 0.00 C ATOM 0 HA PRO A 125 7.869 6.750 -12.286 1.00 0.00 H new ATOM 0 HB2 PRO A 125 6.934 4.217 -12.602 1.00 0.00 H new ATOM 0 HB3 PRO A 125 7.371 5.194 -13.990 1.00 0.00 H new ATOM 0 HG2 PRO A 125 8.998 3.015 -12.622 1.00 0.00 H new ATOM 0 HG3 PRO A 125 8.841 3.341 -14.337 1.00 0.00 H new ATOM 0 HD2 PRO A 125 11.017 4.206 -12.866 1.00 0.00 H new ATOM 0 HD3 PRO A 125 10.460 5.052 -14.296 1.00 0.00 H new ATOM 1805 N GLN A 126 7.480 6.279 -9.950 1.00 0.00 N ATOM 1806 CA GLN A 126 7.339 6.138 -8.514 1.00 0.00 C ATOM 1807 C GLN A 126 6.648 4.819 -8.151 1.00 0.00 C ATOM 1808 O GLN A 126 5.769 4.323 -8.853 1.00 0.00 O ATOM 1809 CB GLN A 126 6.624 7.371 -7.927 1.00 0.00 C ATOM 1810 CG GLN A 126 7.582 8.523 -7.566 1.00 0.00 C ATOM 1811 CD GLN A 126 7.555 9.736 -8.498 1.00 0.00 C ATOM 1812 OE1 GLN A 126 6.525 10.355 -8.724 1.00 0.00 O ATOM 1813 NE2 GLN A 126 8.706 10.183 -8.972 1.00 0.00 N ATOM 0 H GLN A 126 6.988 7.082 -10.342 1.00 0.00 H new ATOM 0 HA GLN A 126 8.330 6.094 -8.062 1.00 0.00 H new ATOM 0 HB2 GLN A 126 5.889 7.732 -8.647 1.00 0.00 H new ATOM 0 HB3 GLN A 126 6.075 7.072 -7.034 1.00 0.00 H new ATOM 0 HG2 GLN A 126 7.348 8.860 -6.556 1.00 0.00 H new ATOM 0 HG3 GLN A 126 8.598 8.130 -7.543 1.00 0.00 H new ATOM 0 HE21 GLN A 126 9.568 9.670 -8.786 1.00 0.00 H new ATOM 0 HE22 GLN A 126 8.732 11.041 -9.523 1.00 0.00 H new ATOM 1822 N GLN A 127 7.010 4.296 -6.984 1.00 0.00 N ATOM 1823 CA GLN A 127 6.390 3.162 -6.314 1.00 0.00 C ATOM 1824 C GLN A 127 6.320 3.530 -4.831 1.00 0.00 C ATOM 1825 O GLN A 127 7.008 4.453 -4.375 1.00 0.00 O ATOM 1826 CB GLN A 127 7.205 1.868 -6.553 1.00 0.00 C ATOM 1827 CG GLN A 127 6.942 1.243 -7.935 1.00 0.00 C ATOM 1828 CD GLN A 127 7.964 0.173 -8.325 1.00 0.00 C ATOM 1829 OE1 GLN A 127 9.155 0.436 -8.455 1.00 0.00 O ATOM 1830 NE2 GLN A 127 7.550 -1.069 -8.542 1.00 0.00 N ATOM 0 H GLN A 127 7.791 4.677 -6.450 1.00 0.00 H new ATOM 0 HA GLN A 127 5.393 2.960 -6.704 1.00 0.00 H new ATOM 0 HB2 GLN A 127 8.268 2.091 -6.456 1.00 0.00 H new ATOM 0 HB3 GLN A 127 6.960 1.141 -5.778 1.00 0.00 H new ATOM 0 HG2 GLN A 127 5.945 0.802 -7.942 1.00 0.00 H new ATOM 0 HG3 GLN A 127 6.947 2.031 -8.688 1.00 0.00 H new ATOM 0 HE21 GLN A 127 6.563 -1.303 -8.438 1.00 0.00 H new ATOM 0 HE22 GLN A 127 8.219 -1.790 -8.813 1.00 0.00 H new ATOM 1839 N MET A 128 5.503 2.807 -4.075 1.00 0.00 N ATOM 1840 CA MET A 128 5.410 2.920 -2.634 1.00 0.00 C ATOM 1841 C MET A 128 5.563 1.542 -2.017 1.00 0.00 C ATOM 1842 O MET A 128 5.471 0.501 -2.676 1.00 0.00 O ATOM 1843 CB MET A 128 4.082 3.568 -2.188 1.00 0.00 C ATOM 1844 CG MET A 128 4.321 4.812 -1.324 1.00 0.00 C ATOM 1845 SD MET A 128 3.250 5.055 0.125 1.00 0.00 S ATOM 1846 CE MET A 128 1.623 4.579 -0.517 1.00 0.00 C ATOM 0 H MET A 128 4.871 2.107 -4.464 1.00 0.00 H new ATOM 0 HA MET A 128 6.212 3.573 -2.289 1.00 0.00 H new ATOM 0 HB2 MET A 128 3.497 3.842 -3.066 1.00 0.00 H new ATOM 0 HB3 MET A 128 3.493 2.842 -1.627 1.00 0.00 H new ATOM 0 HG2 MET A 128 5.354 4.785 -0.977 1.00 0.00 H new ATOM 0 HG3 MET A 128 4.223 5.689 -1.964 1.00 0.00 H new ATOM 0 HE1 MET A 128 0.844 5.003 0.117 1.00 0.00 H new ATOM 0 HE2 MET A 128 1.509 4.955 -1.534 1.00 0.00 H new ATOM 0 HE3 MET A 128 1.537 3.492 -0.521 1.00 0.00 H new ATOM 1856 N GLN A 129 5.755 1.542 -0.712 1.00 0.00 N ATOM 1857 CA GLN A 129 5.853 0.365 0.105 1.00 0.00 C ATOM 1858 C GLN A 129 5.281 0.775 1.456 1.00 0.00 C ATOM 1859 O GLN A 129 5.612 1.864 1.931 1.00 0.00 O ATOM 1860 CB GLN A 129 7.337 -0.022 0.198 1.00 0.00 C ATOM 1861 CG GLN A 129 7.510 -1.517 0.459 1.00 0.00 C ATOM 1862 CD GLN A 129 8.846 -1.828 1.138 1.00 0.00 C ATOM 1863 OE1 GLN A 129 9.271 -1.147 2.071 1.00 0.00 O ATOM 1864 NE2 GLN A 129 9.575 -2.830 0.679 1.00 0.00 N ATOM 0 H GLN A 129 5.850 2.405 -0.176 1.00 0.00 H new ATOM 0 HA GLN A 129 5.314 -0.498 -0.286 1.00 0.00 H new ATOM 0 HB2 GLN A 129 7.843 0.248 -0.729 1.00 0.00 H new ATOM 0 HB3 GLN A 129 7.813 0.546 0.998 1.00 0.00 H new ATOM 0 HG2 GLN A 129 6.693 -1.873 1.086 1.00 0.00 H new ATOM 0 HG3 GLN A 129 7.447 -2.060 -0.484 1.00 0.00 H new ATOM 0 HE21 GLN A 129 9.230 -3.399 -0.094 1.00 0.00 H new ATOM 0 HE22 GLN A 129 10.482 -3.034 1.098 1.00 0.00 H new ATOM 1873 N LEU A 130 4.438 -0.053 2.065 1.00 0.00 N ATOM 1874 CA LEU A 130 3.925 0.131 3.419 1.00 0.00 C ATOM 1875 C LEU A 130 4.136 -1.193 4.120 1.00 0.00 C ATOM 1876 O LEU A 130 4.147 -2.225 3.446 1.00 0.00 O ATOM 1877 CB LEU A 130 2.418 0.462 3.431 1.00 0.00 C ATOM 1878 CG LEU A 130 2.019 1.720 2.626 1.00 0.00 C ATOM 1879 CD1 LEU A 130 0.502 1.906 2.554 1.00 0.00 C ATOM 1880 CD2 LEU A 130 2.605 2.980 3.263 1.00 0.00 C ATOM 0 H LEU A 130 4.082 -0.897 1.616 1.00 0.00 H new ATOM 0 HA LEU A 130 4.438 0.963 3.902 1.00 0.00 H new ATOM 0 HB2 LEU A 130 1.870 -0.393 3.035 1.00 0.00 H new ATOM 0 HB3 LEU A 130 2.099 0.594 4.465 1.00 0.00 H new ATOM 0 HG LEU A 130 2.414 1.571 1.621 1.00 0.00 H new ATOM 0 HD11 LEU A 130 0.272 2.803 1.978 1.00 0.00 H new ATOM 0 HD12 LEU A 130 0.052 1.039 2.070 1.00 0.00 H new ATOM 0 HD13 LEU A 130 0.100 2.009 3.562 1.00 0.00 H new ATOM 0 HD21 LEU A 130 2.311 3.853 2.680 1.00 0.00 H new ATOM 0 HD22 LEU A 130 2.230 3.081 4.281 1.00 0.00 H new ATOM 0 HD23 LEU A 130 3.692 2.906 3.283 1.00 0.00 H new ATOM 1892 N VAL A 131 4.268 -1.201 5.442 1.00 0.00 N ATOM 1893 CA VAL A 131 4.363 -2.471 6.155 1.00 0.00 C ATOM 1894 C VAL A 131 3.559 -2.460 7.425 1.00 0.00 C ATOM 1895 O VAL A 131 3.313 -1.403 8.009 1.00 0.00 O ATOM 1896 CB VAL A 131 5.835 -2.857 6.324 1.00 0.00 C ATOM 1897 CG1 VAL A 131 6.814 -1.906 6.848 1.00 0.00 C ATOM 1898 CG2 VAL A 131 6.196 -4.191 6.974 1.00 0.00 C ATOM 0 H VAL A 131 4.311 -0.368 6.029 1.00 0.00 H new ATOM 0 HA VAL A 131 3.905 -3.264 5.563 1.00 0.00 H new ATOM 0 HB VAL A 131 5.924 -2.904 5.239 1.00 0.00 H new ATOM 0 HG11 VAL A 131 7.795 -2.379 6.887 1.00 0.00 H new ATOM 0 HG12 VAL A 131 6.858 -1.033 6.197 1.00 0.00 H new ATOM 0 HG13 VAL A 131 6.520 -1.597 7.851 1.00 0.00 H new ATOM 0 HG21 VAL A 131 7.280 -4.296 7.011 1.00 0.00 H new ATOM 0 HG22 VAL A 131 5.794 -4.223 7.987 1.00 0.00 H new ATOM 0 HG23 VAL A 131 5.772 -5.007 6.389 1.00 0.00 H new ATOM 1908 N LEU A 132 3.217 -3.650 7.901 1.00 0.00 N ATOM 1909 CA LEU A 132 2.528 -3.857 9.156 1.00 0.00 C ATOM 1910 C LEU A 132 3.516 -4.347 10.181 1.00 0.00 C ATOM 1911 O LEU A 132 4.556 -4.918 9.873 1.00 0.00 O ATOM 1912 CB LEU A 132 1.461 -4.962 9.001 1.00 0.00 C ATOM 1913 CG LEU A 132 0.162 -4.618 8.261 1.00 0.00 C ATOM 1914 CD1 LEU A 132 0.371 -3.726 7.040 1.00 0.00 C ATOM 1915 CD2 LEU A 132 -0.595 -5.893 7.891 1.00 0.00 C ATOM 0 H LEU A 132 3.420 -4.519 7.406 1.00 0.00 H new ATOM 0 HA LEU A 132 2.066 -2.917 9.457 1.00 0.00 H new ATOM 0 HB2 LEU A 132 1.925 -5.803 8.485 1.00 0.00 H new ATOM 0 HB3 LEU A 132 1.194 -5.309 9.999 1.00 0.00 H new ATOM 0 HG LEU A 132 -0.442 -4.031 8.953 1.00 0.00 H new ATOM 0 HD11 LEU A 132 -0.590 -3.525 6.568 1.00 0.00 H new ATOM 0 HD12 LEU A 132 0.827 -2.786 7.350 1.00 0.00 H new ATOM 0 HD13 LEU A 132 1.026 -4.230 6.329 1.00 0.00 H new ATOM 0 HD21 LEU A 132 -1.514 -5.631 7.367 1.00 0.00 H new ATOM 0 HD22 LEU A 132 0.028 -6.511 7.245 1.00 0.00 H new ATOM 0 HD23 LEU A 132 -0.840 -6.447 8.797 1.00 0.00 H new ATOM 1927 N ASP A 133 3.141 -4.144 11.425 1.00 0.00 N ATOM 1928 CA ASP A 133 3.985 -4.257 12.611 1.00 0.00 C ATOM 1929 C ASP A 133 4.439 -5.717 12.825 1.00 0.00 C ATOM 1930 O ASP A 133 5.466 -5.974 13.457 1.00 0.00 O ATOM 1931 CB ASP A 133 3.225 -3.731 13.850 1.00 0.00 C ATOM 1932 CG ASP A 133 2.315 -2.496 13.683 1.00 0.00 C ATOM 1933 OD1 ASP A 133 2.165 -1.948 12.567 1.00 0.00 O ATOM 1934 OD2 ASP A 133 1.590 -2.199 14.656 1.00 0.00 O ATOM 0 H ASP A 133 2.184 -3.880 11.657 1.00 0.00 H new ATOM 0 HA ASP A 133 4.878 -3.649 12.464 1.00 0.00 H new ATOM 0 HB2 ASP A 133 2.611 -4.546 14.234 1.00 0.00 H new ATOM 0 HB3 ASP A 133 3.963 -3.498 14.618 1.00 0.00 H new ATOM 1939 N ASN A 134 3.695 -6.663 12.235 1.00 0.00 N ATOM 1940 CA ASN A 134 3.969 -8.093 12.124 1.00 0.00 C ATOM 1941 C ASN A 134 5.107 -8.360 11.136 1.00 0.00 C ATOM 1942 O ASN A 134 5.909 -9.267 11.335 1.00 0.00 O ATOM 1943 CB ASN A 134 2.688 -8.784 11.616 1.00 0.00 C ATOM 1944 CG ASN A 134 2.903 -10.265 11.319 1.00 0.00 C ATOM 1945 OD1 ASN A 134 3.430 -11.004 12.137 1.00 0.00 O ATOM 1946 ND2 ASN A 134 2.485 -10.735 10.156 1.00 0.00 N ATOM 0 H ASN A 134 2.811 -6.421 11.786 1.00 0.00 H new ATOM 0 HA ASN A 134 4.267 -8.480 13.099 1.00 0.00 H new ATOM 0 HB2 ASN A 134 1.901 -8.677 12.362 1.00 0.00 H new ATOM 0 HB3 ASN A 134 2.342 -8.282 10.713 1.00 0.00 H new ATOM 0 HD21 ASN A 134 2.601 -11.724 9.934 1.00 0.00 H new ATOM 0 HD22 ASN A 134 2.046 -10.109 9.481 1.00 0.00 H new ATOM 1953 N GLY A 135 5.179 -7.564 10.069 1.00 0.00 N ATOM 1954 CA GLY A 135 6.181 -7.617 9.017 1.00 0.00 C ATOM 1955 C GLY A 135 5.584 -7.708 7.611 1.00 0.00 C ATOM 1956 O GLY A 135 6.315 -7.717 6.620 1.00 0.00 O ATOM 0 H GLY A 135 4.496 -6.823 9.911 1.00 0.00 H new ATOM 0 HA2 GLY A 135 6.810 -6.729 9.080 1.00 0.00 H new ATOM 0 HA3 GLY A 135 6.828 -8.478 9.185 1.00 0.00 H new ATOM 1960 N ASP A 136 4.257 -7.790 7.492 1.00 0.00 N ATOM 1961 CA ASP A 136 3.576 -7.931 6.210 1.00 0.00 C ATOM 1962 C ASP A 136 3.758 -6.630 5.421 1.00 0.00 C ATOM 1963 O ASP A 136 3.232 -5.593 5.814 1.00 0.00 O ATOM 1964 CB ASP A 136 2.086 -8.225 6.402 1.00 0.00 C ATOM 1965 CG ASP A 136 1.772 -9.550 7.097 1.00 0.00 C ATOM 1966 OD1 ASP A 136 2.248 -10.589 6.600 1.00 0.00 O ATOM 1967 OD2 ASP A 136 0.961 -9.584 8.050 1.00 0.00 O ATOM 0 H ASP A 136 3.623 -7.760 8.291 1.00 0.00 H new ATOM 0 HA ASP A 136 4.008 -8.770 5.665 1.00 0.00 H new ATOM 0 HB2 ASP A 136 1.643 -7.415 6.981 1.00 0.00 H new ATOM 0 HB3 ASP A 136 1.602 -8.221 5.426 1.00 0.00 H new ATOM 1972 N THR A 137 4.538 -6.665 4.345 1.00 0.00 N ATOM 1973 CA THR A 137 5.024 -5.498 3.602 1.00 0.00 C ATOM 1974 C THR A 137 4.306 -5.419 2.244 1.00 0.00 C ATOM 1975 O THR A 137 4.562 -6.235 1.358 1.00 0.00 O ATOM 1976 CB THR A 137 6.555 -5.581 3.444 1.00 0.00 C ATOM 1977 OG1 THR A 137 7.236 -5.784 4.659 1.00 0.00 O ATOM 1978 CG2 THR A 137 7.146 -4.334 2.781 1.00 0.00 C ATOM 0 H THR A 137 4.865 -7.545 3.946 1.00 0.00 H new ATOM 0 HA THR A 137 4.800 -4.583 4.151 1.00 0.00 H new ATOM 0 HB THR A 137 6.703 -6.451 2.804 1.00 0.00 H new ATOM 0 HG1 THR A 137 6.840 -6.545 5.132 1.00 0.00 H new ATOM 0 HG21 THR A 137 8.227 -4.446 2.694 1.00 0.00 H new ATOM 0 HG22 THR A 137 6.713 -4.210 1.788 1.00 0.00 H new ATOM 0 HG23 THR A 137 6.919 -3.457 3.388 1.00 0.00 H new ATOM 1986 N LEU A 138 3.377 -4.482 2.056 1.00 0.00 N ATOM 1987 CA LEU A 138 2.657 -4.283 0.801 1.00 0.00 C ATOM 1988 C LEU A 138 3.511 -3.436 -0.156 1.00 0.00 C ATOM 1989 O LEU A 138 4.453 -2.761 0.260 1.00 0.00 O ATOM 1990 CB LEU A 138 1.274 -3.658 1.086 1.00 0.00 C ATOM 1991 CG LEU A 138 0.282 -4.642 1.760 1.00 0.00 C ATOM 1992 CD1 LEU A 138 0.424 -4.685 3.290 1.00 0.00 C ATOM 1993 CD2 LEU A 138 -1.179 -4.321 1.414 1.00 0.00 C ATOM 0 H LEU A 138 3.099 -3.828 2.787 1.00 0.00 H new ATOM 0 HA LEU A 138 2.478 -5.239 0.309 1.00 0.00 H new ATOM 0 HB2 LEU A 138 1.402 -2.786 1.728 1.00 0.00 H new ATOM 0 HB3 LEU A 138 0.843 -3.304 0.149 1.00 0.00 H new ATOM 0 HG LEU A 138 0.546 -5.620 1.358 1.00 0.00 H new ATOM 0 HD11 LEU A 138 -0.297 -5.391 3.703 1.00 0.00 H new ATOM 0 HD12 LEU A 138 1.433 -5.001 3.553 1.00 0.00 H new ATOM 0 HD13 LEU A 138 0.236 -3.693 3.701 1.00 0.00 H new ATOM 0 HD21 LEU A 138 -1.836 -5.037 1.909 1.00 0.00 H new ATOM 0 HD22 LEU A 138 -1.420 -3.313 1.752 1.00 0.00 H new ATOM 0 HD23 LEU A 138 -1.320 -4.385 0.335 1.00 0.00 H new ATOM 2005 N THR A 139 3.231 -3.469 -1.460 1.00 0.00 N ATOM 2006 CA THR A 139 3.958 -2.722 -2.490 1.00 0.00 C ATOM 2007 C THR A 139 2.968 -2.132 -3.477 1.00 0.00 C ATOM 2008 O THR A 139 2.117 -2.840 -4.020 1.00 0.00 O ATOM 2009 CB THR A 139 4.964 -3.630 -3.205 1.00 0.00 C ATOM 2010 OG1 THR A 139 5.917 -4.034 -2.234 1.00 0.00 O ATOM 2011 CG2 THR A 139 5.662 -2.934 -4.391 1.00 0.00 C ATOM 0 H THR A 139 2.470 -4.032 -1.840 1.00 0.00 H new ATOM 0 HA THR A 139 4.516 -1.912 -2.020 1.00 0.00 H new ATOM 0 HB THR A 139 4.439 -4.483 -3.634 1.00 0.00 H new ATOM 0 HG1 THR A 139 6.581 -4.621 -2.652 1.00 0.00 H new ATOM 0 HG21 THR A 139 6.363 -3.626 -4.858 1.00 0.00 H new ATOM 0 HG22 THR A 139 4.915 -2.625 -5.122 1.00 0.00 H new ATOM 0 HG23 THR A 139 6.202 -2.058 -4.032 1.00 0.00 H new ATOM 2019 N PHE A 140 3.118 -0.832 -3.707 1.00 0.00 N ATOM 2020 CA PHE A 140 2.213 -0.058 -4.538 1.00 0.00 C ATOM 2021 C PHE A 140 2.950 0.522 -5.736 1.00 0.00 C ATOM 2022 O PHE A 140 4.110 0.920 -5.618 1.00 0.00 O ATOM 2023 CB PHE A 140 1.580 1.060 -3.705 1.00 0.00 C ATOM 2024 CG PHE A 140 0.717 0.572 -2.559 1.00 0.00 C ATOM 2025 CD1 PHE A 140 1.315 0.222 -1.335 1.00 0.00 C ATOM 2026 CD2 PHE A 140 -0.686 0.521 -2.689 1.00 0.00 C ATOM 2027 CE1 PHE A 140 0.518 -0.194 -0.260 1.00 0.00 C ATOM 2028 CE2 PHE A 140 -1.482 0.124 -1.601 1.00 0.00 C ATOM 2029 CZ PHE A 140 -0.881 -0.244 -0.386 1.00 0.00 C ATOM 0 H PHE A 140 3.883 -0.282 -3.315 1.00 0.00 H new ATOM 0 HA PHE A 140 1.426 -0.714 -4.911 1.00 0.00 H new ATOM 0 HB2 PHE A 140 2.373 1.692 -3.304 1.00 0.00 H new ATOM 0 HB3 PHE A 140 0.974 1.686 -4.360 1.00 0.00 H new ATOM 0 HD1 PHE A 140 2.388 0.274 -1.224 1.00 0.00 H new ATOM 0 HD2 PHE A 140 -1.150 0.788 -3.627 1.00 0.00 H new ATOM 0 HE1 PHE A 140 0.982 -0.478 0.673 1.00 0.00 H new ATOM 0 HE2 PHE A 140 -2.557 0.102 -1.699 1.00 0.00 H new ATOM 0 HZ PHE A 140 -1.490 -0.564 0.447 1.00 0.00 H new ATOM 2039 N ASP A 141 2.265 0.632 -6.869 1.00 0.00 N ATOM 2040 CA ASP A 141 2.711 1.414 -8.017 1.00 0.00 C ATOM 2041 C ASP A 141 2.209 2.840 -7.838 1.00 0.00 C ATOM 2042 O ASP A 141 1.142 3.047 -7.250 1.00 0.00 O ATOM 2043 CB ASP A 141 2.086 0.884 -9.312 1.00 0.00 C ATOM 2044 CG ASP A 141 2.742 -0.410 -9.762 1.00 0.00 C ATOM 2045 OD1 ASP A 141 3.863 -0.346 -10.320 1.00 0.00 O ATOM 2046 OD2 ASP A 141 2.192 -1.497 -9.469 1.00 0.00 O ATOM 0 H ASP A 141 1.367 0.172 -7.018 1.00 0.00 H new ATOM 0 HA ASP A 141 3.798 1.357 -8.079 1.00 0.00 H new ATOM 0 HB2 ASP A 141 1.019 0.718 -9.160 1.00 0.00 H new ATOM 0 HB3 ASP A 141 2.183 1.634 -10.097 1.00 0.00 H new ATOM 2051 N ARG A 142 2.902 3.843 -8.386 1.00 0.00 N ATOM 2052 CA ARG A 142 2.286 5.147 -8.637 1.00 0.00 C ATOM 2053 C ARG A 142 1.233 4.945 -9.714 1.00 0.00 C ATOM 2054 O ARG A 142 1.530 4.344 -10.744 1.00 0.00 O ATOM 2055 CB ARG A 142 3.362 6.136 -9.116 1.00 0.00 C ATOM 2056 CG ARG A 142 2.882 7.547 -9.510 1.00 0.00 C ATOM 2057 CD ARG A 142 2.876 8.504 -8.313 1.00 0.00 C ATOM 2058 NE ARG A 142 3.065 9.901 -8.722 1.00 0.00 N ATOM 2059 CZ ARG A 142 3.622 10.871 -7.988 1.00 0.00 C ATOM 2060 NH1 ARG A 142 4.050 10.643 -6.748 1.00 0.00 N ATOM 2061 NH2 ARG A 142 3.736 12.089 -8.486 1.00 0.00 N ATOM 0 H ARG A 142 3.882 3.777 -8.662 1.00 0.00 H new ATOM 0 HA ARG A 142 1.831 5.552 -7.733 1.00 0.00 H new ATOM 0 HB2 ARG A 142 4.106 6.238 -8.326 1.00 0.00 H new ATOM 0 HB3 ARG A 142 3.869 5.697 -9.975 1.00 0.00 H new ATOM 0 HG2 ARG A 142 3.530 7.946 -10.290 1.00 0.00 H new ATOM 0 HG3 ARG A 142 1.878 7.485 -9.930 1.00 0.00 H new ATOM 0 HD2 ARG A 142 1.931 8.408 -7.778 1.00 0.00 H new ATOM 0 HD3 ARG A 142 3.666 8.220 -7.618 1.00 0.00 H new ATOM 0 HE ARG A 142 2.741 10.157 -9.655 1.00 0.00 H new ATOM 0 HH11 ARG A 142 3.956 9.713 -6.339 1.00 0.00 H new ATOM 0 HH12 ARG A 142 4.472 11.398 -6.207 1.00 0.00 H new ATOM 0 HH21 ARG A 142 3.400 12.288 -9.428 1.00 0.00 H new ATOM 0 HH22 ARG A 142 4.160 12.830 -7.928 1.00 0.00 H new ATOM 2075 N SER A 143 0.054 5.528 -9.526 1.00 0.00 N ATOM 2076 CA SER A 143 -0.851 5.806 -10.614 1.00 0.00 C ATOM 2077 C SER A 143 -1.344 7.207 -10.323 1.00 0.00 C ATOM 2078 O SER A 143 -1.941 7.424 -9.269 1.00 0.00 O ATOM 2079 CB SER A 143 -1.937 4.732 -10.644 1.00 0.00 C ATOM 2080 OG SER A 143 -2.743 4.768 -11.797 1.00 0.00 O ATOM 0 H SER A 143 -0.293 5.818 -8.612 1.00 0.00 H new ATOM 0 HA SER A 143 -0.411 5.774 -11.611 1.00 0.00 H new ATOM 0 HB2 SER A 143 -1.467 3.751 -10.572 1.00 0.00 H new ATOM 0 HB3 SER A 143 -2.572 4.846 -9.765 1.00 0.00 H new ATOM 0 HG SER A 143 -3.413 4.054 -11.750 1.00 0.00 H new ATOM 2086 N THR A 144 -0.988 8.153 -11.187 1.00 0.00 N ATOM 2087 CA THR A 144 -1.462 9.536 -11.169 1.00 0.00 C ATOM 2088 C THR A 144 -2.052 9.941 -12.523 1.00 0.00 C ATOM 2089 O THR A 144 -2.311 11.125 -12.750 1.00 0.00 O ATOM 2090 CB THR A 144 -0.334 10.474 -10.711 1.00 0.00 C ATOM 2091 OG1 THR A 144 0.907 10.113 -11.294 1.00 0.00 O ATOM 2092 CG2 THR A 144 -0.166 10.385 -9.198 1.00 0.00 C ATOM 0 H THR A 144 -0.336 7.971 -11.950 1.00 0.00 H new ATOM 0 HA THR A 144 -2.274 9.622 -10.447 1.00 0.00 H new ATOM 0 HB THR A 144 -0.609 11.483 -11.020 1.00 0.00 H new ATOM 0 HG1 THR A 144 1.520 10.877 -11.257 1.00 0.00 H new ATOM 0 HG21 THR A 144 0.635 11.053 -8.881 1.00 0.00 H new ATOM 0 HG22 THR A 144 -1.096 10.678 -8.711 1.00 0.00 H new ATOM 0 HG23 THR A 144 0.083 9.361 -8.919 1.00 0.00 H new ATOM 2100 N ARG A 145 -2.299 8.955 -13.402 1.00 0.00 N ATOM 2101 CA ARG A 145 -2.909 9.168 -14.718 1.00 0.00 C ATOM 2102 C ARG A 145 -2.095 10.151 -15.565 1.00 0.00 C ATOM 2103 O ARG A 145 -0.923 10.418 -15.215 1.00 0.00 O ATOM 2104 CB ARG A 145 -4.372 9.607 -14.484 1.00 0.00 C ATOM 2105 CG ARG A 145 -5.423 9.005 -15.415 1.00 0.00 C ATOM 2106 CD ARG A 145 -5.638 9.789 -16.710 1.00 0.00 C ATOM 2107 NE ARG A 145 -6.959 9.500 -17.299 1.00 0.00 N ATOM 2108 CZ ARG A 145 -7.331 8.380 -17.929 1.00 0.00 C ATOM 2109 NH1 ARG A 145 -6.455 7.411 -18.185 1.00 0.00 N ATOM 2110 NH2 ARG A 145 -8.605 8.206 -18.261 1.00 0.00 N ATOM 0 H ARG A 145 -2.077 7.978 -13.213 1.00 0.00 H new ATOM 0 HA ARG A 145 -2.910 8.248 -15.303 1.00 0.00 H new ATOM 0 HB2 ARG A 145 -4.643 9.358 -13.458 1.00 0.00 H new ATOM 0 HB3 ARG A 145 -4.420 10.692 -14.572 1.00 0.00 H new ATOM 0 HG2 ARG A 145 -5.129 7.986 -15.665 1.00 0.00 H new ATOM 0 HG3 ARG A 145 -6.371 8.941 -14.881 1.00 0.00 H new ATOM 0 HD2 ARG A 145 -5.553 10.857 -16.509 1.00 0.00 H new ATOM 0 HD3 ARG A 145 -4.855 9.536 -17.425 1.00 0.00 H new ATOM 0 HE ARG A 145 -7.664 10.232 -17.217 1.00 0.00 H new ATOM 0 HH11 ARG A 145 -5.481 7.515 -17.900 1.00 0.00 H new ATOM 0 HH12 ARG A 145 -6.757 6.564 -18.666 1.00 0.00 H new ATOM 0 HH21 ARG A 145 -9.293 8.924 -18.036 1.00 0.00 H new ATOM 0 HH22 ARG A 145 -8.895 7.354 -18.741 1.00 0.00 H new