USER MOD reduce.3.24.130724 H: found=0, std=0, add=949, rem=0, adj=35 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 93 THR OG1 : rot -120:sc= 0.0456 USER MOD Set 1.2: A 95 MET CE :methyl -161:sc= -0.122 (180deg=-0.106) USER MOD Single : A 16 ASN : amide:sc= -0.201 X(o=-0.2,f=0) USER MOD Single : A 20 THR OG1 : rot -49:sc= -0.127 USER MOD Single : A 21 GLN :FLIP amide:sc= 0.093 F(o=-2.1!,f=0.093) USER MOD Single : A 26 THR OG1 : rot -90:sc= 1.67 USER MOD Single : A 27 SER OG : rot 180:sc= 0 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= -0.21 X(o=-0.21,f=0) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0.0012 USER MOD Single : A 45 SER OG : rot 180:sc= 0.104 USER MOD Single : A 48 GLN : amide:sc= -0.0554 X(o=-0.055,f=-0.051) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot -43:sc= 0.0262 USER MOD Single : A 62 GLN : amide:sc= 0.517 K(o=0.52,f=0) USER MOD Single : A 64 HIS : no HD1:sc= -1.23 X(o=-1.2,f=-0.86) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 161:sc= 2.19 USER MOD Single : A 72 ASN : amide:sc= -0.991 X(o=-0.99,f=-0.9) USER MOD Single : A 74 TYR OH : rot 30:sc= 0 USER MOD Single : A 75 MET CE :methyl -150:sc= -0.619 (180deg=-1.02) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 LYS NZ :NH3+ -171:sc= 1.28 (180deg=1.24) USER MOD Single : A 86 SER OG : rot 180:sc= 0 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= -0.226 USER MOD Single : A 103 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 108 TYR OH : rot -177:sc= 1.28 USER MOD Single : A 110 ASN : amide:sc= 0.698 K(o=0.7,f=0) USER MOD Single : A 113 THR OG1 : rot 180:sc= 0.057 USER MOD Single : A 114 HIS : no HD1:sc= 0 X(o=0,f=-0.045) USER MOD Single : A 118 THR OG1 : rot 150:sc= 0 USER MOD Single : A 121 GLN : amide:sc= -0.942 X(o=-0.94,f=-0.92) USER MOD Single : A 122 MET CE :methyl -142:sc= -0.545 (180deg=-3.46!) USER MOD Single : A 126 GLN : amide:sc= -1.02 X(o=-1,f=-0.95) USER MOD Single : A 127 GLN : amide:sc= 0 X(o=0,f=-0.37) USER MOD Single : A 128 MET CE :methyl -153:sc= -0.355 (180deg=-1.48!) USER MOD Single : A 129 GLN : amide:sc= 0 K(o=0,f=-0.78) USER MOD Single : A 134 ASN :FLIP amide:sc= -0.0118 F(o=-2.3,f=-0.012) USER MOD Single : A 137 THR OG1 : rot -17:sc= 1.11 USER MOD Single : A 139 THR OG1 : rot 180:sc= 0 USER MOD Single : A 143 SER OG : rot -55:sc= 0.0442 USER MOD Single : A 144 THR OG1 : rot -47:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 201 N PHE A 15 13.622 5.476 1.047 1.00 0.00 N ATOM 202 CA PHE A 15 12.322 5.641 0.406 1.00 0.00 C ATOM 203 C PHE A 15 11.841 7.062 0.733 1.00 0.00 C ATOM 204 O PHE A 15 10.753 7.265 1.267 1.00 0.00 O ATOM 205 CB PHE A 15 11.400 4.567 0.959 1.00 0.00 C ATOM 206 CG PHE A 15 11.629 3.154 0.453 1.00 0.00 C ATOM 207 CD1 PHE A 15 12.592 2.315 1.041 1.00 0.00 C ATOM 208 CD2 PHE A 15 10.798 2.643 -0.557 1.00 0.00 C ATOM 209 CE1 PHE A 15 12.701 0.974 0.629 1.00 0.00 C ATOM 210 CE2 PHE A 15 10.852 1.291 -0.921 1.00 0.00 C ATOM 211 CZ PHE A 15 11.816 0.456 -0.334 1.00 0.00 C ATOM 0 HA PHE A 15 12.353 5.528 -0.678 1.00 0.00 H new ATOM 0 HB2 PHE A 15 11.496 4.561 2.045 1.00 0.00 H new ATOM 0 HB3 PHE A 15 10.372 4.849 0.731 1.00 0.00 H new ATOM 0 HD1 PHE A 15 13.248 2.700 1.808 1.00 0.00 H new ATOM 0 HD2 PHE A 15 10.107 3.302 -1.061 1.00 0.00 H new ATOM 0 HE1 PHE A 15 13.466 0.341 1.053 1.00 0.00 H new ATOM 0 HE2 PHE A 15 10.158 0.895 -1.647 1.00 0.00 H new ATOM 0 HZ PHE A 15 11.878 -0.583 -0.622 1.00 0.00 H new ATOM 221 N ASN A 16 12.756 8.022 0.566 1.00 0.00 N ATOM 222 CA ASN A 16 12.534 9.466 0.479 1.00 0.00 C ATOM 223 C ASN A 16 11.509 10.010 1.490 1.00 0.00 C ATOM 224 O ASN A 16 10.405 10.355 1.085 1.00 0.00 O ATOM 225 CB ASN A 16 12.233 9.926 -0.940 1.00 0.00 C ATOM 226 CG ASN A 16 12.406 11.439 -1.040 1.00 0.00 C ATOM 227 OD1 ASN A 16 13.524 11.943 -0.998 1.00 0.00 O ATOM 228 ND2 ASN A 16 11.341 12.207 -1.144 1.00 0.00 N ATOM 0 H ASN A 16 13.746 7.791 0.482 1.00 0.00 H new ATOM 0 HA ASN A 16 13.487 9.909 0.768 1.00 0.00 H new ATOM 0 HB2 ASN A 16 12.900 9.427 -1.643 1.00 0.00 H new ATOM 0 HB3 ASN A 16 11.215 9.648 -1.214 1.00 0.00 H new ATOM 0 HD21 ASN A 16 11.446 13.221 -1.190 1.00 0.00 H new ATOM 0 HD22 ASN A 16 10.412 11.788 -1.179 1.00 0.00 H new ATOM 235 N PRO A 17 11.820 10.158 2.779 1.00 0.00 N ATOM 236 CA PRO A 17 10.859 10.608 3.789 1.00 0.00 C ATOM 237 C PRO A 17 10.262 12.011 3.538 1.00 0.00 C ATOM 238 O PRO A 17 9.185 12.323 4.050 1.00 0.00 O ATOM 239 CB PRO A 17 11.610 10.499 5.116 1.00 0.00 C ATOM 240 CG PRO A 17 13.095 10.507 4.724 1.00 0.00 C ATOM 241 CD PRO A 17 13.099 9.832 3.354 1.00 0.00 C ATOM 0 HA PRO A 17 9.964 9.986 3.770 1.00 0.00 H new ATOM 0 HB2 PRO A 17 11.370 11.332 5.777 1.00 0.00 H new ATOM 0 HB3 PRO A 17 11.345 9.585 5.647 1.00 0.00 H new ATOM 0 HG2 PRO A 17 13.493 11.521 4.674 1.00 0.00 H new ATOM 0 HG3 PRO A 17 13.704 9.960 5.444 1.00 0.00 H new ATOM 0 HD2 PRO A 17 13.917 10.200 2.734 1.00 0.00 H new ATOM 0 HD3 PRO A 17 13.228 8.754 3.445 1.00 0.00 H new ATOM 249 N ALA A 18 10.881 12.839 2.690 1.00 0.00 N ATOM 250 CA ALA A 18 10.315 14.093 2.186 1.00 0.00 C ATOM 251 C ALA A 18 9.176 13.891 1.163 1.00 0.00 C ATOM 252 O ALA A 18 8.635 14.847 0.606 1.00 0.00 O ATOM 253 CB ALA A 18 11.449 14.906 1.571 1.00 0.00 C ATOM 0 H ALA A 18 11.815 12.650 2.326 1.00 0.00 H new ATOM 0 HA ALA A 18 9.859 14.620 3.024 1.00 0.00 H new ATOM 0 HB1 ALA A 18 11.055 15.847 1.187 1.00 0.00 H new ATOM 0 HB2 ALA A 18 12.203 15.111 2.331 1.00 0.00 H new ATOM 0 HB3 ALA A 18 11.900 14.342 0.755 1.00 0.00 H new ATOM 259 N ALA A 19 8.824 12.647 0.854 1.00 0.00 N ATOM 260 CA ALA A 19 7.692 12.260 0.033 1.00 0.00 C ATOM 261 C ALA A 19 6.378 12.368 0.782 1.00 0.00 C ATOM 262 O ALA A 19 5.356 12.482 0.120 1.00 0.00 O ATOM 263 CB ALA A 19 7.860 10.786 -0.300 1.00 0.00 C ATOM 0 H ALA A 19 9.352 11.842 1.190 1.00 0.00 H new ATOM 0 HA ALA A 19 7.667 12.914 -0.838 1.00 0.00 H new ATOM 0 HB1 ALA A 19 7.026 10.455 -0.919 1.00 0.00 H new ATOM 0 HB2 ALA A 19 8.794 10.640 -0.842 1.00 0.00 H new ATOM 0 HB3 ALA A 19 7.881 10.205 0.622 1.00 0.00 H new ATOM 269 N THR A 20 6.350 12.263 2.112 1.00 0.00 N ATOM 270 CA THR A 20 5.100 11.944 2.796 1.00 0.00 C ATOM 271 C THR A 20 4.036 13.026 2.566 1.00 0.00 C ATOM 272 O THR A 20 2.855 12.717 2.491 1.00 0.00 O ATOM 273 CB THR A 20 5.356 11.705 4.280 1.00 0.00 C ATOM 274 OG1 THR A 20 6.593 11.046 4.439 1.00 0.00 O ATOM 275 CG2 THR A 20 4.255 10.883 4.950 1.00 0.00 C ATOM 0 H THR A 20 7.157 12.391 2.722 1.00 0.00 H new ATOM 0 HA THR A 20 4.703 11.023 2.370 1.00 0.00 H new ATOM 0 HB THR A 20 5.369 12.681 4.766 1.00 0.00 H new ATOM 0 HG1 THR A 20 6.635 10.277 3.832 1.00 0.00 H new ATOM 0 HG21 THR A 20 4.494 10.746 6.005 1.00 0.00 H new ATOM 0 HG22 THR A 20 3.303 11.406 4.858 1.00 0.00 H new ATOM 0 HG23 THR A 20 4.182 9.909 4.466 1.00 0.00 H new ATOM 283 N GLN A 21 4.444 14.281 2.376 1.00 0.00 N ATOM 284 CA GLN A 21 3.548 15.397 2.093 1.00 0.00 C ATOM 285 C GLN A 21 2.909 15.317 0.702 1.00 0.00 C ATOM 286 O GLN A 21 1.878 15.937 0.459 1.00 0.00 O ATOM 287 CB GLN A 21 4.316 16.712 2.273 1.00 0.00 C ATOM 288 CG GLN A 21 5.646 16.806 1.495 1.00 0.00 C ATOM 289 CD GLN A 21 6.908 16.775 2.366 1.00 0.00 C ATOM 290 OE1 GLN A 21 7.022 15.831 3.295 1.00 0.00 O flip ATOM 291 NE2 GLN A 21 7.813 17.591 2.196 1.00 0.00 N flip ATOM 0 H GLN A 21 5.426 14.553 2.416 1.00 0.00 H new ATOM 0 HA GLN A 21 2.720 15.349 2.800 1.00 0.00 H new ATOM 0 HB2 GLN A 21 3.673 17.536 1.963 1.00 0.00 H new ATOM 0 HB3 GLN A 21 4.523 16.851 3.334 1.00 0.00 H new ATOM 0 HG2 GLN A 21 5.693 15.981 0.784 1.00 0.00 H new ATOM 0 HG3 GLN A 21 5.646 17.728 0.914 1.00 0.00 H new ATOM 0 HE21 GLN A 21 7.721 18.313 1.482 1.00 0.00 H new ATOM 0 HE22 GLN A 21 8.655 17.545 2.769 1.00 0.00 H new ATOM 300 N LEU A 22 3.489 14.555 -0.224 1.00 0.00 N ATOM 301 CA LEU A 22 2.963 14.355 -1.570 1.00 0.00 C ATOM 302 C LEU A 22 1.861 13.289 -1.571 1.00 0.00 C ATOM 303 O LEU A 22 1.176 13.120 -2.580 1.00 0.00 O ATOM 304 CB LEU A 22 4.122 13.995 -2.519 1.00 0.00 C ATOM 305 CG LEU A 22 4.855 15.216 -3.102 1.00 0.00 C ATOM 306 CD1 LEU A 22 5.539 16.091 -2.049 1.00 0.00 C ATOM 307 CD2 LEU A 22 5.921 14.708 -4.078 1.00 0.00 C ATOM 0 H LEU A 22 4.358 14.049 -0.053 1.00 0.00 H new ATOM 0 HA LEU A 22 2.504 15.277 -1.926 1.00 0.00 H new ATOM 0 HB2 LEU A 22 4.840 13.376 -1.981 1.00 0.00 H new ATOM 0 HB3 LEU A 22 3.733 13.392 -3.339 1.00 0.00 H new ATOM 0 HG LEU A 22 4.104 15.840 -3.586 1.00 0.00 H new ATOM 0 HD11 LEU A 22 6.033 16.930 -2.539 1.00 0.00 H new ATOM 0 HD12 LEU A 22 4.793 16.467 -1.349 1.00 0.00 H new ATOM 0 HD13 LEU A 22 6.278 15.499 -1.509 1.00 0.00 H new ATOM 0 HD21 LEU A 22 6.456 15.556 -4.506 1.00 0.00 H new ATOM 0 HD22 LEU A 22 6.624 14.066 -3.547 1.00 0.00 H new ATOM 0 HD23 LEU A 22 5.443 14.140 -4.876 1.00 0.00 H new ATOM 319 N LEU A 23 1.639 12.597 -0.446 1.00 0.00 N ATOM 320 CA LEU A 23 0.524 11.652 -0.288 1.00 0.00 C ATOM 321 C LEU A 23 -0.794 12.410 -0.036 1.00 0.00 C ATOM 322 O LEU A 23 -1.827 11.804 0.213 1.00 0.00 O ATOM 323 CB LEU A 23 0.824 10.619 0.818 1.00 0.00 C ATOM 324 CG LEU A 23 1.875 9.528 0.515 1.00 0.00 C ATOM 325 CD1 LEU A 23 1.431 8.586 -0.595 1.00 0.00 C ATOM 326 CD2 LEU A 23 3.256 10.065 0.137 1.00 0.00 C ATOM 0 H LEU A 23 2.229 12.676 0.383 1.00 0.00 H new ATOM 0 HA LEU A 23 0.407 11.093 -1.217 1.00 0.00 H new ATOM 0 HB2 LEU A 23 1.150 11.162 1.705 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -0.111 10.122 1.075 1.00 0.00 H new ATOM 0 HG LEU A 23 1.959 8.996 1.462 1.00 0.00 H new ATOM 0 HD11 LEU A 23 2.205 7.838 -0.769 1.00 0.00 H new ATOM 0 HD12 LEU A 23 0.506 8.089 -0.302 1.00 0.00 H new ATOM 0 HD13 LEU A 23 1.264 9.155 -1.510 1.00 0.00 H new ATOM 0 HD21 LEU A 23 3.930 9.231 -0.059 1.00 0.00 H new ATOM 0 HD22 LEU A 23 3.174 10.683 -0.757 1.00 0.00 H new ATOM 0 HD23 LEU A 23 3.650 10.665 0.957 1.00 0.00 H new ATOM 338 N ASP A 24 -0.758 13.741 -0.101 1.00 0.00 N ATOM 339 CA ASP A 24 -1.891 14.662 -0.074 1.00 0.00 C ATOM 340 C ASP A 24 -2.689 14.650 -1.382 1.00 0.00 C ATOM 341 O ASP A 24 -3.835 15.092 -1.411 1.00 0.00 O ATOM 342 CB ASP A 24 -1.277 16.053 0.152 1.00 0.00 C ATOM 343 CG ASP A 24 -2.265 17.210 0.244 1.00 0.00 C ATOM 344 OD1 ASP A 24 -3.365 17.044 0.805 1.00 0.00 O ATOM 345 OD2 ASP A 24 -1.879 18.354 -0.088 1.00 0.00 O ATOM 0 H ASP A 24 0.129 14.238 -0.180 1.00 0.00 H new ATOM 0 HA ASP A 24 -2.596 14.375 0.707 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -0.693 16.026 1.072 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -0.581 16.258 -0.662 1.00 0.00 H new ATOM 350 N ASP A 25 -2.070 14.188 -2.472 1.00 0.00 N ATOM 351 CA ASP A 25 -2.551 14.417 -3.833 1.00 0.00 C ATOM 352 C ASP A 25 -1.935 13.354 -4.753 1.00 0.00 C ATOM 353 O ASP A 25 -1.258 13.683 -5.723 1.00 0.00 O ATOM 354 CB ASP A 25 -2.156 15.859 -4.222 1.00 0.00 C ATOM 355 CG ASP A 25 -2.752 16.366 -5.542 1.00 0.00 C ATOM 356 OD1 ASP A 25 -3.856 16.950 -5.485 1.00 0.00 O ATOM 357 OD2 ASP A 25 -2.065 16.327 -6.590 1.00 0.00 O ATOM 0 H ASP A 25 -1.212 13.639 -2.431 1.00 0.00 H new ATOM 0 HA ASP A 25 -3.634 14.325 -3.921 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -2.463 16.531 -3.421 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -1.069 15.916 -4.287 1.00 0.00 H new ATOM 362 N THR A 26 -2.036 12.065 -4.411 1.00 0.00 N ATOM 363 CA THR A 26 -1.536 10.968 -5.249 1.00 0.00 C ATOM 364 C THR A 26 -2.342 9.697 -4.969 1.00 0.00 C ATOM 365 O THR A 26 -2.645 9.396 -3.821 1.00 0.00 O ATOM 366 CB THR A 26 -0.034 10.708 -5.001 1.00 0.00 C ATOM 367 OG1 THR A 26 0.313 10.729 -3.632 1.00 0.00 O ATOM 368 CG2 THR A 26 0.943 11.660 -5.677 1.00 0.00 C ATOM 0 H THR A 26 -2.468 11.751 -3.542 1.00 0.00 H new ATOM 0 HA THR A 26 -1.657 11.255 -6.294 1.00 0.00 H new ATOM 0 HB THR A 26 0.070 9.719 -5.447 1.00 0.00 H new ATOM 0 HG1 THR A 26 0.558 11.641 -3.370 1.00 0.00 H new ATOM 0 HG21 THR A 26 1.964 11.373 -5.426 1.00 0.00 H new ATOM 0 HG22 THR A 26 0.808 11.613 -6.758 1.00 0.00 H new ATOM 0 HG23 THR A 26 0.757 12.677 -5.332 1.00 0.00 H new ATOM 376 N SER A 27 -2.685 8.925 -6.001 1.00 0.00 N ATOM 377 CA SER A 27 -3.693 7.879 -5.852 1.00 0.00 C ATOM 378 C SER A 27 -3.143 6.554 -5.309 1.00 0.00 C ATOM 379 O SER A 27 -3.465 6.163 -4.193 1.00 0.00 O ATOM 380 CB SER A 27 -4.374 7.667 -7.193 1.00 0.00 C ATOM 381 OG SER A 27 -4.932 8.847 -7.738 1.00 0.00 O ATOM 0 H SER A 27 -2.285 9.003 -6.936 1.00 0.00 H new ATOM 0 HA SER A 27 -4.407 8.220 -5.102 1.00 0.00 H new ATOM 0 HB2 SER A 27 -3.650 7.258 -7.898 1.00 0.00 H new ATOM 0 HB3 SER A 27 -5.162 6.922 -7.077 1.00 0.00 H new ATOM 0 HG SER A 27 -5.352 8.643 -8.599 1.00 0.00 H new ATOM 387 N TRP A 28 -2.262 5.915 -6.085 1.00 0.00 N ATOM 388 CA TRP A 28 -1.551 4.652 -5.860 1.00 0.00 C ATOM 389 C TRP A 28 -2.395 3.380 -6.040 1.00 0.00 C ATOM 390 O TRP A 28 -3.617 3.448 -6.021 1.00 0.00 O ATOM 391 CB TRP A 28 -0.798 4.634 -4.513 1.00 0.00 C ATOM 392 CG TRP A 28 -0.016 5.864 -4.171 1.00 0.00 C ATOM 393 CD1 TRP A 28 -0.537 6.952 -3.565 1.00 0.00 C ATOM 394 CD2 TRP A 28 1.396 6.175 -4.406 1.00 0.00 C ATOM 395 NE1 TRP A 28 0.426 7.923 -3.482 1.00 0.00 N ATOM 396 CE2 TRP A 28 1.644 7.505 -3.960 1.00 0.00 C ATOM 397 CE3 TRP A 28 2.501 5.489 -4.952 1.00 0.00 C ATOM 398 CZ2 TRP A 28 2.904 8.121 -4.051 1.00 0.00 C ATOM 399 CZ3 TRP A 28 3.755 6.106 -5.102 1.00 0.00 C ATOM 400 CH2 TRP A 28 3.969 7.411 -4.635 1.00 0.00 C ATOM 0 H TRP A 28 -2.001 6.315 -6.986 1.00 0.00 H new ATOM 0 HA TRP A 28 -0.819 4.623 -6.667 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -1.523 4.458 -3.718 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -0.115 3.784 -4.515 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -1.551 7.043 -3.203 1.00 0.00 H new ATOM 0 HE1 TRP A 28 0.257 8.856 -3.106 1.00 0.00 H new ATOM 0 HE3 TRP A 28 2.380 4.462 -5.263 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 3.052 9.124 -3.678 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 4.561 5.570 -5.581 1.00 0.00 H new ATOM 0 HH2 TRP A 28 4.944 7.867 -4.723 1.00 0.00 H new ATOM 411 N VAL A 29 -1.780 2.200 -6.238 1.00 0.00 N ATOM 412 CA VAL A 29 -2.544 0.951 -6.428 1.00 0.00 C ATOM 413 C VAL A 29 -1.851 -0.289 -5.952 1.00 0.00 C ATOM 414 O VAL A 29 -0.826 -0.659 -6.499 1.00 0.00 O ATOM 415 CB VAL A 29 -3.029 0.767 -7.853 1.00 0.00 C ATOM 416 CG1 VAL A 29 -2.132 0.795 -9.012 1.00 0.00 C ATOM 417 CG2 VAL A 29 -3.966 -0.435 -8.098 1.00 0.00 C ATOM 0 H VAL A 29 -0.767 2.084 -6.271 1.00 0.00 H new ATOM 0 HA VAL A 29 -3.410 1.086 -5.781 1.00 0.00 H new ATOM 0 HB VAL A 29 -3.523 1.738 -7.838 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -2.710 0.640 -9.923 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -1.630 1.761 -9.060 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -1.388 0.004 -8.916 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -4.249 -0.467 -9.150 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -3.451 -1.358 -7.832 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -4.861 -0.329 -7.485 1.00 0.00 H new ATOM 427 N LEU A 30 -2.427 -0.929 -4.946 1.00 0.00 N ATOM 428 CA LEU A 30 -1.876 -2.138 -4.380 1.00 0.00 C ATOM 429 C LEU A 30 -1.952 -3.256 -5.404 1.00 0.00 C ATOM 430 O LEU A 30 -3.015 -3.449 -5.995 1.00 0.00 O ATOM 431 CB LEU A 30 -2.672 -2.487 -3.111 1.00 0.00 C ATOM 432 CG LEU A 30 -2.083 -3.621 -2.263 1.00 0.00 C ATOM 433 CD1 LEU A 30 -2.255 -5.012 -2.870 1.00 0.00 C ATOM 434 CD2 LEU A 30 -0.653 -3.329 -1.816 1.00 0.00 C ATOM 0 H LEU A 30 -3.292 -0.619 -4.502 1.00 0.00 H new ATOM 0 HA LEU A 30 -0.828 -1.999 -4.113 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -2.748 -1.593 -2.492 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -3.686 -2.761 -3.401 1.00 0.00 H new ATOM 0 HG LEU A 30 -2.689 -3.649 -1.358 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -1.811 -5.755 -2.208 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -3.316 -5.226 -2.995 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -1.760 -5.049 -3.841 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -0.281 -4.162 -1.219 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -0.018 -3.198 -2.692 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -0.638 -2.418 -1.218 1.00 0.00 H new ATOM 446 N SER A 31 -0.880 -4.032 -5.572 1.00 0.00 N ATOM 447 CA SER A 31 -0.909 -5.197 -6.453 1.00 0.00 C ATOM 448 C SER A 31 -0.077 -6.382 -5.942 1.00 0.00 C ATOM 449 O SER A 31 -0.082 -7.455 -6.554 1.00 0.00 O ATOM 450 CB SER A 31 -0.477 -4.699 -7.834 1.00 0.00 C ATOM 451 OG SER A 31 -0.888 -5.525 -8.903 1.00 0.00 O ATOM 0 H SER A 31 0.016 -3.874 -5.110 1.00 0.00 H new ATOM 0 HA SER A 31 -1.915 -5.615 -6.493 1.00 0.00 H new ATOM 0 HB2 SER A 31 -0.879 -3.698 -7.988 1.00 0.00 H new ATOM 0 HB3 SER A 31 0.609 -4.613 -7.853 1.00 0.00 H new ATOM 0 HG SER A 31 -0.577 -5.142 -9.750 1.00 0.00 H new ATOM 457 N ALA A 32 0.619 -6.252 -4.805 1.00 0.00 N ATOM 458 CA ALA A 32 1.302 -7.390 -4.180 1.00 0.00 C ATOM 459 C ALA A 32 1.484 -7.177 -2.686 1.00 0.00 C ATOM 460 O ALA A 32 1.648 -6.046 -2.241 1.00 0.00 O ATOM 461 CB ALA A 32 2.675 -7.635 -4.814 1.00 0.00 C ATOM 0 H ALA A 32 0.723 -5.372 -4.301 1.00 0.00 H new ATOM 0 HA ALA A 32 0.668 -8.261 -4.345 1.00 0.00 H new ATOM 0 HB1 ALA A 32 3.154 -8.485 -4.328 1.00 0.00 H new ATOM 0 HB2 ALA A 32 2.553 -7.846 -5.876 1.00 0.00 H new ATOM 0 HB3 ALA A 32 3.297 -6.748 -4.690 1.00 0.00 H new ATOM 467 N TRP A 33 1.513 -8.281 -1.935 1.00 0.00 N ATOM 468 CA TRP A 33 1.661 -8.347 -0.485 1.00 0.00 C ATOM 469 C TRP A 33 2.600 -9.514 -0.212 1.00 0.00 C ATOM 470 O TRP A 33 2.431 -10.589 -0.792 1.00 0.00 O ATOM 471 CB TRP A 33 0.250 -8.511 0.123 1.00 0.00 C ATOM 472 CG TRP A 33 -0.073 -8.703 1.571 1.00 0.00 C ATOM 473 CD1 TRP A 33 0.735 -9.112 2.575 1.00 0.00 C ATOM 474 CD2 TRP A 33 -1.368 -8.422 2.188 1.00 0.00 C ATOM 475 NE1 TRP A 33 0.047 -9.019 3.769 1.00 0.00 N ATOM 476 CE2 TRP A 33 -1.238 -8.550 3.598 1.00 0.00 C ATOM 477 CE3 TRP A 33 -2.619 -7.996 1.688 1.00 0.00 C ATOM 478 CZ2 TRP A 33 -2.279 -8.203 4.472 1.00 0.00 C ATOM 479 CZ3 TRP A 33 -3.681 -7.669 2.549 1.00 0.00 C ATOM 480 CH2 TRP A 33 -3.498 -7.760 3.939 1.00 0.00 C ATOM 0 H TRP A 33 1.428 -9.208 -2.352 1.00 0.00 H new ATOM 0 HA TRP A 33 2.090 -7.454 -0.031 1.00 0.00 H new ATOM 0 HB2 TRP A 33 -0.307 -7.627 -0.187 1.00 0.00 H new ATOM 0 HB3 TRP A 33 -0.193 -9.363 -0.392 1.00 0.00 H new ATOM 0 HD1 TRP A 33 1.753 -9.455 2.462 1.00 0.00 H new ATOM 0 HE1 TRP A 33 0.445 -9.269 4.674 1.00 0.00 H new ATOM 0 HE3 TRP A 33 -2.763 -7.920 0.620 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 -2.143 -8.276 5.541 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 -4.630 -7.350 2.145 1.00 0.00 H new ATOM 0 HH2 TRP A 33 -4.304 -7.486 4.604 1.00 0.00 H new ATOM 491 N LYS A 34 3.609 -9.311 0.629 1.00 0.00 N ATOM 492 CA LYS A 34 4.658 -10.250 0.975 1.00 0.00 C ATOM 493 C LYS A 34 4.648 -10.404 2.485 1.00 0.00 C ATOM 494 O LYS A 34 4.545 -9.407 3.198 1.00 0.00 O ATOM 495 CB LYS A 34 6.006 -9.669 0.517 1.00 0.00 C ATOM 496 CG LYS A 34 7.017 -10.781 0.233 1.00 0.00 C ATOM 497 CD LYS A 34 7.082 -11.123 -1.262 1.00 0.00 C ATOM 498 CE LYS A 34 8.346 -10.544 -1.902 1.00 0.00 C ATOM 499 NZ LYS A 34 8.565 -11.103 -3.248 1.00 0.00 N ATOM 0 H LYS A 34 3.718 -8.423 1.118 1.00 0.00 H new ATOM 0 HA LYS A 34 4.505 -11.217 0.496 1.00 0.00 H new ATOM 0 HB2 LYS A 34 5.860 -9.068 -0.381 1.00 0.00 H new ATOM 0 HB3 LYS A 34 6.399 -9.004 1.286 1.00 0.00 H new ATOM 0 HG2 LYS A 34 8.004 -10.472 0.579 1.00 0.00 H new ATOM 0 HG3 LYS A 34 6.746 -11.672 0.798 1.00 0.00 H new ATOM 0 HD2 LYS A 34 7.067 -12.205 -1.392 1.00 0.00 H new ATOM 0 HD3 LYS A 34 6.201 -10.729 -1.768 1.00 0.00 H new ATOM 0 HE2 LYS A 34 8.261 -9.459 -1.965 1.00 0.00 H new ATOM 0 HE3 LYS A 34 9.208 -10.760 -1.271 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 9.428 -10.693 -3.658 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 8.670 -12.136 -3.182 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 7.752 -10.875 -3.855 1.00 0.00 H new ATOM 513 N GLN A 35 4.740 -11.631 2.978 1.00 0.00 N ATOM 514 CA GLN A 35 4.957 -11.888 4.388 1.00 0.00 C ATOM 515 C GLN A 35 6.435 -11.667 4.729 1.00 0.00 C ATOM 516 O GLN A 35 7.294 -11.602 3.843 1.00 0.00 O ATOM 517 CB GLN A 35 4.555 -13.322 4.736 1.00 0.00 C ATOM 518 CG GLN A 35 3.149 -13.730 4.256 1.00 0.00 C ATOM 519 CD GLN A 35 2.640 -14.958 5.006 1.00 0.00 C ATOM 520 OE1 GLN A 35 1.455 -15.078 5.300 1.00 0.00 O ATOM 521 NE2 GLN A 35 3.528 -15.875 5.360 1.00 0.00 N ATOM 0 H GLN A 35 4.666 -12.474 2.409 1.00 0.00 H new ATOM 0 HA GLN A 35 4.342 -11.202 4.970 1.00 0.00 H new ATOM 0 HB2 GLN A 35 5.285 -14.005 4.302 1.00 0.00 H new ATOM 0 HB3 GLN A 35 4.605 -13.447 5.818 1.00 0.00 H new ATOM 0 HG2 GLN A 35 2.458 -12.900 4.402 1.00 0.00 H new ATOM 0 HG3 GLN A 35 3.174 -13.939 3.187 1.00 0.00 H new ATOM 0 HE21 GLN A 35 4.509 -15.759 5.107 1.00 0.00 H new ATOM 0 HE22 GLN A 35 3.230 -16.697 5.885 1.00 0.00 H new ATOM 530 N ALA A 36 6.752 -11.668 6.024 1.00 0.00 N ATOM 531 CA ALA A 36 8.126 -11.479 6.505 1.00 0.00 C ATOM 532 C ALA A 36 9.010 -12.700 6.233 1.00 0.00 C ATOM 533 O ALA A 36 10.234 -12.621 6.327 1.00 0.00 O ATOM 534 CB ALA A 36 8.117 -11.193 8.003 1.00 0.00 C ATOM 0 H ALA A 36 6.068 -11.799 6.769 1.00 0.00 H new ATOM 0 HA ALA A 36 8.544 -10.633 5.959 1.00 0.00 H new ATOM 0 HB1 ALA A 36 9.140 -11.054 8.353 1.00 0.00 H new ATOM 0 HB2 ALA A 36 7.541 -10.288 8.197 1.00 0.00 H new ATOM 0 HB3 ALA A 36 7.664 -12.032 8.531 1.00 0.00 H new ATOM 540 N ASP A 37 8.396 -13.842 5.922 1.00 0.00 N ATOM 541 CA ASP A 37 9.077 -15.070 5.510 1.00 0.00 C ATOM 542 C ASP A 37 9.318 -15.081 3.991 1.00 0.00 C ATOM 543 O ASP A 37 9.780 -16.081 3.454 1.00 0.00 O ATOM 544 CB ASP A 37 8.273 -16.296 5.987 1.00 0.00 C ATOM 545 CG ASP A 37 8.954 -16.985 7.172 1.00 0.00 C ATOM 546 OD1 ASP A 37 9.953 -17.704 6.976 1.00 0.00 O ATOM 547 OD2 ASP A 37 8.489 -16.833 8.322 1.00 0.00 O ATOM 0 H ASP A 37 7.381 -13.941 5.951 1.00 0.00 H new ATOM 0 HA ASP A 37 10.060 -15.114 5.980 1.00 0.00 H new ATOM 0 HB2 ASP A 37 7.268 -15.985 6.274 1.00 0.00 H new ATOM 0 HB3 ASP A 37 8.165 -17.004 5.165 1.00 0.00 H new ATOM 552 N GLY A 38 8.973 -13.998 3.278 1.00 0.00 N ATOM 553 CA GLY A 38 9.223 -13.833 1.847 1.00 0.00 C ATOM 554 C GLY A 38 8.080 -14.355 0.984 1.00 0.00 C ATOM 555 O GLY A 38 8.051 -14.139 -0.227 1.00 0.00 O ATOM 0 H GLY A 38 8.501 -13.196 3.695 1.00 0.00 H new ATOM 0 HA2 GLY A 38 9.383 -12.777 1.630 1.00 0.00 H new ATOM 0 HA3 GLY A 38 10.142 -14.356 1.581 1.00 0.00 H new ATOM 559 N THR A 39 7.115 -15.015 1.611 1.00 0.00 N ATOM 560 CA THR A 39 5.925 -15.578 1.022 1.00 0.00 C ATOM 561 C THR A 39 5.087 -14.469 0.380 1.00 0.00 C ATOM 562 O THR A 39 4.465 -13.670 1.077 1.00 0.00 O ATOM 563 CB THR A 39 5.214 -16.325 2.155 1.00 0.00 C ATOM 564 OG1 THR A 39 6.103 -17.262 2.754 1.00 0.00 O ATOM 565 CG2 THR A 39 3.933 -16.994 1.687 1.00 0.00 C ATOM 0 H THR A 39 7.154 -15.178 2.617 1.00 0.00 H new ATOM 0 HA THR A 39 6.132 -16.276 0.211 1.00 0.00 H new ATOM 0 HB THR A 39 4.920 -15.592 2.907 1.00 0.00 H new ATOM 0 HG1 THR A 39 5.641 -17.734 3.478 1.00 0.00 H new ATOM 0 HG21 THR A 39 3.465 -17.511 2.525 1.00 0.00 H new ATOM 0 HG22 THR A 39 3.249 -16.239 1.299 1.00 0.00 H new ATOM 0 HG23 THR A 39 4.164 -17.713 0.901 1.00 0.00 H new ATOM 573 N ALA A 40 5.100 -14.384 -0.948 1.00 0.00 N ATOM 574 CA ALA A 40 4.212 -13.522 -1.707 1.00 0.00 C ATOM 575 C ALA A 40 2.782 -14.062 -1.632 1.00 0.00 C ATOM 576 O ALA A 40 2.491 -15.127 -2.177 1.00 0.00 O ATOM 577 CB ALA A 40 4.716 -13.446 -3.144 1.00 0.00 C ATOM 0 H ALA A 40 5.740 -14.923 -1.532 1.00 0.00 H new ATOM 0 HA ALA A 40 4.203 -12.515 -1.291 1.00 0.00 H new ATOM 0 HB1 ALA A 40 4.058 -12.801 -3.727 1.00 0.00 H new ATOM 0 HB2 ALA A 40 5.726 -13.037 -3.154 1.00 0.00 H new ATOM 0 HB3 ALA A 40 4.724 -14.445 -3.580 1.00 0.00 H new ATOM 583 N ARG A 41 1.893 -13.339 -0.955 1.00 0.00 N ATOM 584 CA ARG A 41 0.485 -13.693 -0.839 1.00 0.00 C ATOM 585 C ARG A 41 -0.212 -13.585 -2.190 1.00 0.00 C ATOM 586 O ARG A 41 0.172 -12.776 -3.044 1.00 0.00 O ATOM 587 CB ARG A 41 -0.194 -12.763 0.177 1.00 0.00 C ATOM 588 CG ARG A 41 -0.017 -13.255 1.620 1.00 0.00 C ATOM 589 CD ARG A 41 -0.385 -12.117 2.586 1.00 0.00 C ATOM 590 NE ARG A 41 -1.303 -12.507 3.665 1.00 0.00 N ATOM 591 CZ ARG A 41 -2.610 -12.770 3.555 1.00 0.00 C ATOM 592 NH1 ARG A 41 -3.202 -12.866 2.367 1.00 0.00 N ATOM 593 NH2 ARG A 41 -3.357 -12.940 4.633 1.00 0.00 N ATOM 0 H ARG A 41 2.137 -12.478 -0.465 1.00 0.00 H new ATOM 0 HA ARG A 41 0.410 -14.725 -0.497 1.00 0.00 H new ATOM 0 HB2 ARG A 41 0.222 -11.760 0.083 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -1.257 -12.691 -0.053 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -0.651 -14.123 1.802 1.00 0.00 H new ATOM 0 HG3 ARG A 41 1.013 -13.572 1.786 1.00 0.00 H new ATOM 0 HD2 ARG A 41 0.530 -11.723 3.029 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -0.838 -11.306 2.016 1.00 0.00 H new ATOM 0 HE ARG A 41 -0.900 -12.586 4.599 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -2.657 -12.738 1.514 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -4.200 -13.067 2.309 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -2.938 -12.871 5.560 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -4.353 -13.140 4.537 1.00 0.00 H new ATOM 607 N ALA A 42 -1.298 -14.339 -2.343 1.00 0.00 N ATOM 608 CA ALA A 42 -2.296 -14.068 -3.366 1.00 0.00 C ATOM 609 C ALA A 42 -3.073 -12.824 -2.955 1.00 0.00 C ATOM 610 O ALA A 42 -3.393 -12.640 -1.777 1.00 0.00 O ATOM 611 CB ALA A 42 -3.252 -15.252 -3.539 1.00 0.00 C ATOM 0 H ALA A 42 -1.507 -15.151 -1.762 1.00 0.00 H new ATOM 0 HA ALA A 42 -1.798 -13.909 -4.322 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -3.985 -15.018 -4.310 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -2.686 -16.136 -3.833 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -3.765 -15.446 -2.597 1.00 0.00 H new ATOM 617 N VAL A 43 -3.385 -12.006 -3.951 1.00 0.00 N ATOM 618 CA VAL A 43 -4.202 -10.803 -3.910 1.00 0.00 C ATOM 619 C VAL A 43 -4.993 -10.791 -5.239 1.00 0.00 C ATOM 620 O VAL A 43 -4.654 -11.586 -6.131 1.00 0.00 O ATOM 621 CB VAL A 43 -3.303 -9.553 -3.705 1.00 0.00 C ATOM 622 CG1 VAL A 43 -2.442 -9.624 -2.430 1.00 0.00 C ATOM 623 CG2 VAL A 43 -2.350 -9.287 -4.875 1.00 0.00 C ATOM 0 H VAL A 43 -3.040 -12.185 -4.894 1.00 0.00 H new ATOM 0 HA VAL A 43 -4.899 -10.787 -3.072 1.00 0.00 H new ATOM 0 HB VAL A 43 -4.025 -8.741 -3.624 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -1.839 -8.720 -2.348 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -3.090 -9.708 -1.558 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -1.787 -10.494 -2.481 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -1.753 -8.400 -4.664 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -1.690 -10.144 -5.009 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -2.927 -9.127 -5.786 1.00 0.00 H new ATOM 633 N PRO A 44 -6.048 -9.977 -5.421 1.00 0.00 N ATOM 634 CA PRO A 44 -6.627 -9.781 -6.744 1.00 0.00 C ATOM 635 C PRO A 44 -5.588 -9.104 -7.632 1.00 0.00 C ATOM 636 O PRO A 44 -5.048 -8.052 -7.286 1.00 0.00 O ATOM 637 CB PRO A 44 -7.859 -8.895 -6.563 1.00 0.00 C ATOM 638 CG PRO A 44 -7.554 -8.133 -5.276 1.00 0.00 C ATOM 639 CD PRO A 44 -6.680 -9.092 -4.460 1.00 0.00 C ATOM 0 HA PRO A 44 -6.915 -10.721 -7.214 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -7.997 -8.220 -7.408 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -8.771 -9.486 -6.475 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -7.032 -7.199 -5.482 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -8.468 -7.876 -4.741 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -5.933 -8.545 -3.884 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -7.281 -9.656 -3.747 1.00 0.00 H new ATOM 647 N SER A 45 -5.276 -9.706 -8.769 1.00 0.00 N ATOM 648 CA SER A 45 -4.471 -9.104 -9.801 1.00 0.00 C ATOM 649 C SER A 45 -5.254 -7.987 -10.488 1.00 0.00 C ATOM 650 O SER A 45 -6.480 -8.038 -10.573 1.00 0.00 O ATOM 651 CB SER A 45 -4.115 -10.209 -10.796 1.00 0.00 C ATOM 652 OG SER A 45 -4.126 -11.513 -10.222 1.00 0.00 O ATOM 0 H SER A 45 -5.587 -10.650 -8.998 1.00 0.00 H new ATOM 0 HA SER A 45 -3.565 -8.662 -9.386 1.00 0.00 H new ATOM 0 HB2 SER A 45 -4.820 -10.180 -11.627 1.00 0.00 H new ATOM 0 HB3 SER A 45 -3.126 -10.011 -11.209 1.00 0.00 H new ATOM 0 HG SER A 45 -3.893 -12.174 -10.907 1.00 0.00 H new ATOM 658 N ALA A 46 -4.550 -7.011 -11.051 1.00 0.00 N ATOM 659 CA ALA A 46 -5.178 -5.954 -11.817 1.00 0.00 C ATOM 660 C ALA A 46 -5.883 -6.520 -13.038 1.00 0.00 C ATOM 661 O ALA A 46 -7.014 -6.146 -13.340 1.00 0.00 O ATOM 662 CB ALA A 46 -4.117 -4.921 -12.184 1.00 0.00 C ATOM 0 H ALA A 46 -3.535 -6.935 -10.987 1.00 0.00 H new ATOM 0 HA ALA A 46 -5.947 -5.462 -11.221 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -4.575 -4.118 -12.762 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -3.680 -4.510 -11.274 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -3.337 -5.396 -12.779 1.00 0.00 H new ATOM 668 N ASP A 47 -5.241 -7.469 -13.706 1.00 0.00 N ATOM 669 CA ASP A 47 -5.731 -8.081 -14.934 1.00 0.00 C ATOM 670 C ASP A 47 -6.865 -9.076 -14.668 1.00 0.00 C ATOM 671 O ASP A 47 -7.336 -9.731 -15.598 1.00 0.00 O ATOM 672 CB ASP A 47 -4.556 -8.738 -15.670 1.00 0.00 C ATOM 673 CG ASP A 47 -3.628 -7.658 -16.235 1.00 0.00 C ATOM 674 OD1 ASP A 47 -3.904 -7.151 -17.344 1.00 0.00 O ATOM 675 OD2 ASP A 47 -2.672 -7.251 -15.530 1.00 0.00 O ATOM 0 H ASP A 47 -4.343 -7.844 -13.401 1.00 0.00 H new ATOM 0 HA ASP A 47 -6.158 -7.304 -15.568 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -4.004 -9.385 -14.988 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -4.928 -9.369 -16.477 1.00 0.00 H new ATOM 680 N GLN A 48 -7.296 -9.235 -13.413 1.00 0.00 N ATOM 681 CA GLN A 48 -8.511 -9.962 -13.074 1.00 0.00 C ATOM 682 C GLN A 48 -9.747 -9.056 -13.179 1.00 0.00 C ATOM 683 O GLN A 48 -10.848 -9.581 -13.331 1.00 0.00 O ATOM 684 CB GLN A 48 -8.379 -10.581 -11.674 1.00 0.00 C ATOM 685 CG GLN A 48 -7.342 -11.705 -11.622 1.00 0.00 C ATOM 686 CD GLN A 48 -7.731 -12.961 -12.389 1.00 0.00 C ATOM 687 OE1 GLN A 48 -8.421 -13.842 -11.875 1.00 0.00 O ATOM 688 NE2 GLN A 48 -7.243 -13.068 -13.614 1.00 0.00 N ATOM 0 H GLN A 48 -6.804 -8.858 -12.602 1.00 0.00 H new ATOM 0 HA GLN A 48 -8.647 -10.770 -13.792 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -8.102 -9.804 -10.962 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -9.347 -10.971 -11.360 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -6.399 -11.330 -12.019 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -7.166 -11.971 -10.580 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -6.675 -12.316 -14.004 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -7.434 -13.903 -14.168 1.00 0.00 H new ATOM 697 N GLY A 49 -9.595 -7.726 -13.163 1.00 0.00 N ATOM 698 CA GLY A 49 -10.697 -6.801 -13.389 1.00 0.00 C ATOM 699 C GLY A 49 -10.486 -5.488 -12.659 1.00 0.00 C ATOM 700 O GLY A 49 -10.029 -4.505 -13.246 1.00 0.00 O ATOM 0 H GLY A 49 -8.700 -7.267 -12.992 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -10.799 -6.611 -14.457 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -11.629 -7.257 -13.056 1.00 0.00 H new ATOM 704 N ALA A 50 -10.857 -5.450 -11.385 1.00 0.00 N ATOM 705 CA ALA A 50 -10.930 -4.234 -10.588 1.00 0.00 C ATOM 706 C ALA A 50 -9.989 -4.344 -9.375 1.00 0.00 C ATOM 707 O ALA A 50 -10.434 -4.764 -8.302 1.00 0.00 O ATOM 708 CB ALA A 50 -12.390 -3.954 -10.220 1.00 0.00 C ATOM 0 H ALA A 50 -11.122 -6.287 -10.865 1.00 0.00 H new ATOM 0 HA ALA A 50 -10.583 -3.373 -11.160 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -12.447 -3.044 -9.623 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -12.977 -3.828 -11.130 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -12.787 -4.790 -9.645 1.00 0.00 H new ATOM 714 N PRO A 51 -8.691 -4.010 -9.533 1.00 0.00 N ATOM 715 CA PRO A 51 -7.694 -4.101 -8.466 1.00 0.00 C ATOM 716 C PRO A 51 -7.978 -3.158 -7.294 1.00 0.00 C ATOM 717 O PRO A 51 -8.919 -2.358 -7.301 1.00 0.00 O ATOM 718 CB PRO A 51 -6.335 -3.792 -9.113 1.00 0.00 C ATOM 719 CG PRO A 51 -6.699 -3.038 -10.392 1.00 0.00 C ATOM 720 CD PRO A 51 -8.063 -3.594 -10.778 1.00 0.00 C ATOM 0 HA PRO A 51 -7.714 -5.099 -8.029 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -5.709 -3.187 -8.457 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -5.780 -4.704 -9.331 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -6.741 -1.962 -10.222 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -5.963 -3.208 -11.178 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -8.663 -2.839 -11.285 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -7.962 -4.435 -11.465 1.00 0.00 H new ATOM 728 N ILE A 52 -7.152 -3.272 -6.258 1.00 0.00 N ATOM 729 CA ILE A 52 -7.233 -2.487 -5.041 1.00 0.00 C ATOM 730 C ILE A 52 -6.493 -1.161 -5.243 1.00 0.00 C ATOM 731 O ILE A 52 -5.365 -0.962 -4.779 1.00 0.00 O ATOM 732 CB ILE A 52 -6.854 -3.320 -3.797 1.00 0.00 C ATOM 733 CG1 ILE A 52 -7.743 -4.587 -3.788 1.00 0.00 C ATOM 734 CG2 ILE A 52 -7.026 -2.445 -2.538 1.00 0.00 C ATOM 735 CD1 ILE A 52 -7.650 -5.478 -2.551 1.00 0.00 C ATOM 0 H ILE A 52 -6.381 -3.940 -6.248 1.00 0.00 H new ATOM 0 HA ILE A 52 -8.263 -2.205 -4.824 1.00 0.00 H new ATOM 0 HB ILE A 52 -5.813 -3.642 -3.815 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -8.781 -4.276 -3.907 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -7.489 -5.188 -4.661 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -6.761 -3.024 -1.653 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -6.376 -1.573 -2.609 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -8.063 -2.119 -2.461 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -8.319 -6.331 -2.666 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -6.626 -5.833 -2.434 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -7.939 -4.907 -1.669 1.00 0.00 H new ATOM 747 N THR A 53 -7.136 -0.240 -5.958 1.00 0.00 N ATOM 748 CA THR A 53 -6.568 1.057 -6.326 1.00 0.00 C ATOM 749 C THR A 53 -6.902 1.968 -5.130 1.00 0.00 C ATOM 750 O THR A 53 -8.026 1.950 -4.615 1.00 0.00 O ATOM 751 CB THR A 53 -7.020 1.501 -7.746 1.00 0.00 C ATOM 752 OG1 THR A 53 -8.173 2.319 -7.753 1.00 0.00 O ATOM 753 CG2 THR A 53 -7.419 0.345 -8.671 1.00 0.00 C ATOM 0 H THR A 53 -8.085 -0.376 -6.305 1.00 0.00 H new ATOM 0 HA THR A 53 -5.487 1.068 -6.465 1.00 0.00 H new ATOM 0 HB THR A 53 -6.129 2.024 -8.092 1.00 0.00 H new ATOM 0 HG1 THR A 53 -8.397 2.560 -8.676 1.00 0.00 H new ATOM 0 HG21 THR A 53 -7.721 0.742 -9.640 1.00 0.00 H new ATOM 0 HG22 THR A 53 -6.570 -0.326 -8.802 1.00 0.00 H new ATOM 0 HG23 THR A 53 -8.250 -0.204 -8.229 1.00 0.00 H new ATOM 761 N LEU A 54 -5.898 2.645 -4.576 1.00 0.00 N ATOM 762 CA LEU A 54 -6.059 3.660 -3.535 1.00 0.00 C ATOM 763 C LEU A 54 -6.324 4.989 -4.247 1.00 0.00 C ATOM 764 O LEU A 54 -5.915 5.144 -5.398 1.00 0.00 O ATOM 765 CB LEU A 54 -4.765 3.690 -2.692 1.00 0.00 C ATOM 766 CG LEU A 54 -4.658 4.764 -1.587 1.00 0.00 C ATOM 767 CD1 LEU A 54 -5.759 4.612 -0.527 1.00 0.00 C ATOM 768 CD2 LEU A 54 -3.289 4.621 -0.905 1.00 0.00 C ATOM 0 H LEU A 54 -4.925 2.500 -4.845 1.00 0.00 H new ATOM 0 HA LEU A 54 -6.889 3.453 -2.859 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -4.646 2.713 -2.224 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -3.924 3.822 -3.372 1.00 0.00 H new ATOM 0 HG LEU A 54 -4.774 5.744 -2.050 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -5.645 5.388 0.230 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -6.736 4.708 -1.001 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -5.679 3.632 -0.057 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -3.193 5.371 -0.120 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -3.202 3.626 -0.468 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -2.499 4.764 -1.642 1.00 0.00 H new ATOM 780 N THR A 55 -6.953 5.951 -3.573 1.00 0.00 N ATOM 781 CA THR A 55 -7.033 7.313 -4.076 1.00 0.00 C ATOM 782 C THR A 55 -6.904 8.284 -2.903 1.00 0.00 C ATOM 783 O THR A 55 -7.702 8.204 -1.956 1.00 0.00 O ATOM 784 CB THR A 55 -8.324 7.549 -4.881 1.00 0.00 C ATOM 785 OG1 THR A 55 -8.736 6.412 -5.623 1.00 0.00 O ATOM 786 CG2 THR A 55 -8.069 8.693 -5.853 1.00 0.00 C ATOM 0 H THR A 55 -7.415 5.807 -2.675 1.00 0.00 H new ATOM 0 HA THR A 55 -6.211 7.487 -4.770 1.00 0.00 H new ATOM 0 HB THR A 55 -9.120 7.775 -4.171 1.00 0.00 H new ATOM 0 HG1 THR A 55 -9.560 6.621 -6.111 1.00 0.00 H new ATOM 0 HG21 THR A 55 -8.970 8.882 -6.437 1.00 0.00 H new ATOM 0 HG22 THR A 55 -7.803 9.591 -5.296 1.00 0.00 H new ATOM 0 HG23 THR A 55 -7.251 8.426 -6.523 1.00 0.00 H new ATOM 794 N LEU A 56 -5.914 9.185 -2.956 1.00 0.00 N ATOM 795 CA LEU A 56 -5.681 10.220 -1.945 1.00 0.00 C ATOM 796 C LEU A 56 -5.840 11.574 -2.632 1.00 0.00 C ATOM 797 O LEU A 56 -5.094 11.890 -3.565 1.00 0.00 O ATOM 798 CB LEU A 56 -4.297 10.106 -1.275 1.00 0.00 C ATOM 799 CG LEU A 56 -3.857 8.683 -0.882 1.00 0.00 C ATOM 800 CD1 LEU A 56 -2.371 8.646 -0.529 1.00 0.00 C ATOM 801 CD2 LEU A 56 -4.659 8.166 0.315 1.00 0.00 C ATOM 0 H LEU A 56 -5.239 9.214 -3.720 1.00 0.00 H new ATOM 0 HA LEU A 56 -6.405 10.098 -1.140 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -3.551 10.522 -1.952 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -4.296 10.727 -0.379 1.00 0.00 H new ATOM 0 HG LEU A 56 -4.043 8.043 -1.745 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -2.087 7.630 -0.255 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -1.784 8.967 -1.390 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -2.180 9.315 0.310 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -4.326 7.160 0.569 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -4.504 8.826 1.169 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -5.719 8.144 0.061 1.00 0.00 H new ATOM 813 N SER A 57 -6.862 12.326 -2.231 1.00 0.00 N ATOM 814 CA SER A 57 -7.178 13.667 -2.706 1.00 0.00 C ATOM 815 C SER A 57 -8.178 14.305 -1.722 1.00 0.00 C ATOM 816 O SER A 57 -8.409 13.748 -0.644 1.00 0.00 O ATOM 817 CB SER A 57 -7.744 13.562 -4.133 1.00 0.00 C ATOM 818 OG SER A 57 -7.403 14.713 -4.880 1.00 0.00 O ATOM 0 H SER A 57 -7.526 11.998 -1.529 1.00 0.00 H new ATOM 0 HA SER A 57 -6.293 14.302 -2.747 1.00 0.00 H new ATOM 0 HB2 SER A 57 -7.350 12.672 -4.623 1.00 0.00 H new ATOM 0 HB3 SER A 57 -8.828 13.452 -4.095 1.00 0.00 H new ATOM 0 HG SER A 57 -7.767 14.634 -5.787 1.00 0.00 H new ATOM 824 N THR A 58 -8.790 15.445 -2.049 1.00 0.00 N ATOM 825 CA THR A 58 -9.491 16.290 -1.076 1.00 0.00 C ATOM 826 C THR A 58 -10.906 16.705 -1.512 1.00 0.00 C ATOM 827 O THR A 58 -11.397 17.744 -1.069 1.00 0.00 O ATOM 828 CB THR A 58 -8.576 17.481 -0.723 1.00 0.00 C ATOM 829 OG1 THR A 58 -7.990 18.028 -1.890 1.00 0.00 O ATOM 830 CG2 THR A 58 -7.446 17.015 0.194 1.00 0.00 C ATOM 0 H THR A 58 -8.814 15.811 -3.001 1.00 0.00 H new ATOM 0 HA THR A 58 -9.680 15.706 -0.175 1.00 0.00 H new ATOM 0 HB THR A 58 -9.188 18.235 -0.228 1.00 0.00 H new ATOM 0 HG1 THR A 58 -7.415 18.783 -1.644 1.00 0.00 H new ATOM 0 HG21 THR A 58 -6.804 17.861 0.439 1.00 0.00 H new ATOM 0 HG22 THR A 58 -7.868 16.602 1.110 1.00 0.00 H new ATOM 0 HG23 THR A 58 -6.859 16.249 -0.312 1.00 0.00 H new ATOM 838 N SER A 59 -11.596 15.911 -2.341 1.00 0.00 N ATOM 839 CA SER A 59 -12.927 16.244 -2.855 1.00 0.00 C ATOM 840 C SER A 59 -13.934 16.530 -1.726 1.00 0.00 C ATOM 841 O SER A 59 -14.566 17.586 -1.744 1.00 0.00 O ATOM 842 CB SER A 59 -13.409 15.142 -3.807 1.00 0.00 C ATOM 843 OG SER A 59 -14.436 15.604 -4.656 1.00 0.00 O ATOM 0 H SER A 59 -11.242 15.014 -2.675 1.00 0.00 H new ATOM 0 HA SER A 59 -12.854 17.172 -3.421 1.00 0.00 H new ATOM 0 HB2 SER A 59 -12.572 14.787 -4.408 1.00 0.00 H new ATOM 0 HB3 SER A 59 -13.769 14.292 -3.228 1.00 0.00 H new ATOM 0 HG SER A 59 -14.720 14.879 -5.251 1.00 0.00 H new ATOM 849 N THR A 60 -14.045 15.673 -0.699 1.00 0.00 N ATOM 850 CA THR A 60 -14.933 15.905 0.451 1.00 0.00 C ATOM 851 C THR A 60 -14.436 17.051 1.365 1.00 0.00 C ATOM 852 O THR A 60 -14.977 17.252 2.455 1.00 0.00 O ATOM 853 CB THR A 60 -15.158 14.570 1.204 1.00 0.00 C ATOM 854 OG1 THR A 60 -16.296 14.547 2.057 1.00 0.00 O ATOM 855 CG2 THR A 60 -13.957 14.187 2.070 1.00 0.00 C ATOM 0 H THR A 60 -13.521 14.799 -0.642 1.00 0.00 H new ATOM 0 HA THR A 60 -15.900 16.251 0.085 1.00 0.00 H new ATOM 0 HB THR A 60 -15.314 13.859 0.392 1.00 0.00 H new ATOM 0 HG1 THR A 60 -16.348 15.389 2.556 1.00 0.00 H new ATOM 0 HG21 THR A 60 -14.161 13.245 2.578 1.00 0.00 H new ATOM 0 HG22 THR A 60 -13.075 14.076 1.440 1.00 0.00 H new ATOM 0 HG23 THR A 60 -13.778 14.967 2.810 1.00 0.00 H new ATOM 863 N GLY A 61 -13.377 17.779 1.007 1.00 0.00 N ATOM 864 CA GLY A 61 -12.823 18.868 1.802 1.00 0.00 C ATOM 865 C GLY A 61 -11.883 18.402 2.909 1.00 0.00 C ATOM 866 O GLY A 61 -11.282 19.248 3.569 1.00 0.00 O ATOM 0 H GLY A 61 -12.871 17.621 0.135 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -12.285 19.550 1.143 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -13.641 19.434 2.247 1.00 0.00 H new ATOM 870 N GLN A 62 -11.740 17.087 3.129 1.00 0.00 N ATOM 871 CA GLN A 62 -10.871 16.528 4.149 1.00 0.00 C ATOM 872 C GLN A 62 -9.737 15.713 3.535 1.00 0.00 C ATOM 873 O GLN A 62 -9.911 15.096 2.480 1.00 0.00 O ATOM 874 CB GLN A 62 -11.668 15.664 5.113 1.00 0.00 C ATOM 875 CG GLN A 62 -12.565 16.560 5.972 1.00 0.00 C ATOM 876 CD GLN A 62 -13.935 15.946 6.119 1.00 0.00 C ATOM 877 OE1 GLN A 62 -14.252 15.284 7.102 1.00 0.00 O ATOM 878 NE2 GLN A 62 -14.785 16.160 5.135 1.00 0.00 N ATOM 0 H GLN A 62 -12.237 16.379 2.589 1.00 0.00 H new ATOM 0 HA GLN A 62 -10.430 17.361 4.696 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -12.274 14.946 4.560 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -10.993 15.090 5.748 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -12.115 16.701 6.955 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -12.649 17.546 5.516 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -14.501 16.713 4.327 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -15.727 15.772 5.182 1.00 0.00 H new ATOM 887 N ARG A 63 -8.615 15.639 4.252 1.00 0.00 N ATOM 888 CA ARG A 63 -7.490 14.741 3.994 1.00 0.00 C ATOM 889 C ARG A 63 -7.876 13.293 4.322 1.00 0.00 C ATOM 890 O ARG A 63 -7.486 12.753 5.361 1.00 0.00 O ATOM 891 CB ARG A 63 -6.223 15.226 4.740 1.00 0.00 C ATOM 892 CG ARG A 63 -6.377 15.442 6.259 1.00 0.00 C ATOM 893 CD ARG A 63 -5.043 15.501 7.008 1.00 0.00 C ATOM 894 NE ARG A 63 -4.397 16.826 6.972 1.00 0.00 N ATOM 895 CZ ARG A 63 -4.690 17.882 7.743 1.00 0.00 C ATOM 896 NH1 ARG A 63 -5.691 17.840 8.616 1.00 0.00 N ATOM 897 NH2 ARG A 63 -3.975 18.992 7.635 1.00 0.00 N ATOM 0 H ARG A 63 -8.459 16.232 5.067 1.00 0.00 H new ATOM 0 HA ARG A 63 -7.243 14.761 2.932 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -5.427 14.500 4.575 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -5.897 16.164 4.290 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -6.923 16.370 6.432 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -6.981 14.635 6.673 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -5.208 15.216 8.047 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -4.364 14.764 6.579 1.00 0.00 H new ATOM 0 HE ARG A 63 -3.650 16.952 6.289 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -6.252 16.993 8.708 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -5.898 18.655 9.194 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -3.205 19.040 6.967 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -4.194 19.799 8.220 1.00 0.00 H new ATOM 911 N HIS A 64 -8.683 12.657 3.475 1.00 0.00 N ATOM 912 CA HIS A 64 -9.149 11.303 3.688 1.00 0.00 C ATOM 913 C HIS A 64 -8.929 10.468 2.428 1.00 0.00 C ATOM 914 O HIS A 64 -8.951 10.980 1.308 1.00 0.00 O ATOM 915 CB HIS A 64 -10.600 11.357 4.209 1.00 0.00 C ATOM 916 CG HIS A 64 -11.679 11.219 3.174 1.00 0.00 C ATOM 917 ND1 HIS A 64 -12.790 10.412 3.250 1.00 0.00 N ATOM 918 CD2 HIS A 64 -11.673 11.810 1.949 1.00 0.00 C ATOM 919 CE1 HIS A 64 -13.412 10.474 2.062 1.00 0.00 C ATOM 920 NE2 HIS A 64 -12.775 11.328 1.235 1.00 0.00 N ATOM 0 H HIS A 64 -9.031 13.079 2.614 1.00 0.00 H new ATOM 0 HA HIS A 64 -8.573 10.789 4.458 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -10.729 10.565 4.947 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -10.743 12.304 4.729 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -10.946 12.524 1.591 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -14.300 9.917 1.804 1.00 0.00 H new ATOM 0 HE2 HIS A 64 -13.043 11.573 0.282 1.00 0.00 H new ATOM 928 N ALA A 65 -8.663 9.181 2.604 1.00 0.00 N ATOM 929 CA ALA A 65 -8.519 8.224 1.526 1.00 0.00 C ATOM 930 C ALA A 65 -9.911 7.768 1.107 1.00 0.00 C ATOM 931 O ALA A 65 -10.817 7.738 1.942 1.00 0.00 O ATOM 932 CB ALA A 65 -7.710 7.029 2.049 1.00 0.00 C ATOM 0 H ALA A 65 -8.539 8.767 3.528 1.00 0.00 H new ATOM 0 HA ALA A 65 -8.006 8.664 0.671 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -7.589 6.295 1.252 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -6.729 7.370 2.380 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -8.236 6.572 2.887 1.00 0.00 H new ATOM 938 N SER A 66 -10.051 7.310 -0.137 1.00 0.00 N ATOM 939 CA SER A 66 -11.153 6.456 -0.560 1.00 0.00 C ATOM 940 C SER A 66 -10.747 5.706 -1.830 1.00 0.00 C ATOM 941 O SER A 66 -10.774 6.270 -2.919 1.00 0.00 O ATOM 942 CB SER A 66 -12.472 7.236 -0.724 1.00 0.00 C ATOM 943 OG SER A 66 -12.320 8.551 -1.220 1.00 0.00 O ATOM 0 H SER A 66 -9.393 7.526 -0.886 1.00 0.00 H new ATOM 0 HA SER A 66 -11.354 5.726 0.224 1.00 0.00 H new ATOM 0 HB2 SER A 66 -13.126 6.681 -1.397 1.00 0.00 H new ATOM 0 HB3 SER A 66 -12.974 7.282 0.242 1.00 0.00 H new ATOM 0 HG SER A 66 -13.200 8.976 -1.296 1.00 0.00 H new ATOM 949 N GLY A 67 -10.318 4.450 -1.688 1.00 0.00 N ATOM 950 CA GLY A 67 -10.001 3.561 -2.804 1.00 0.00 C ATOM 951 C GLY A 67 -11.145 2.578 -3.047 1.00 0.00 C ATOM 952 O GLY A 67 -12.280 2.837 -2.646 1.00 0.00 O ATOM 0 H GLY A 67 -10.179 4.016 -0.776 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -9.821 4.148 -3.704 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -9.083 3.014 -2.591 1.00 0.00 H new ATOM 956 N PHE A 68 -10.865 1.454 -3.705 1.00 0.00 N ATOM 957 CA PHE A 68 -11.765 0.322 -3.958 1.00 0.00 C ATOM 958 C PHE A 68 -11.002 -0.907 -3.423 1.00 0.00 C ATOM 959 O PHE A 68 -9.863 -1.083 -3.840 1.00 0.00 O ATOM 960 CB PHE A 68 -11.998 0.242 -5.484 1.00 0.00 C ATOM 961 CG PHE A 68 -13.124 -0.667 -5.956 1.00 0.00 C ATOM 962 CD1 PHE A 68 -14.418 -0.533 -5.416 1.00 0.00 C ATOM 963 CD2 PHE A 68 -12.889 -1.682 -6.908 1.00 0.00 C ATOM 964 CE1 PHE A 68 -15.451 -1.408 -5.779 1.00 0.00 C ATOM 965 CE2 PHE A 68 -13.922 -2.578 -7.254 1.00 0.00 C ATOM 966 CZ PHE A 68 -15.201 -2.443 -6.691 1.00 0.00 C ATOM 0 H PHE A 68 -9.940 1.296 -4.104 1.00 0.00 H new ATOM 0 HA PHE A 68 -12.742 0.401 -3.480 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -12.197 1.249 -5.851 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -11.072 -0.091 -5.953 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -14.618 0.259 -4.709 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -11.918 -1.773 -7.372 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -16.438 -1.285 -5.357 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -13.728 -3.374 -7.957 1.00 0.00 H new ATOM 0 HZ PHE A 68 -15.988 -3.133 -6.959 1.00 0.00 H new ATOM 976 N SER A 69 -11.518 -1.704 -2.478 1.00 0.00 N ATOM 977 CA SER A 69 -10.847 -2.880 -1.907 1.00 0.00 C ATOM 978 C SER A 69 -11.623 -4.162 -2.206 1.00 0.00 C ATOM 979 O SER A 69 -12.603 -4.504 -1.538 1.00 0.00 O ATOM 980 CB SER A 69 -10.617 -2.756 -0.402 1.00 0.00 C ATOM 981 OG SER A 69 -9.789 -3.832 0.001 1.00 0.00 O ATOM 0 H SER A 69 -12.442 -1.543 -2.077 1.00 0.00 H new ATOM 0 HA SER A 69 -9.870 -2.931 -2.388 1.00 0.00 H new ATOM 0 HB2 SER A 69 -10.146 -1.802 -0.165 1.00 0.00 H new ATOM 0 HB3 SER A 69 -11.566 -2.784 0.133 1.00 0.00 H new ATOM 0 HG SER A 69 -9.376 -3.621 0.864 1.00 0.00 H new ATOM 987 N GLY A 70 -11.171 -4.907 -3.211 1.00 0.00 N ATOM 988 CA GLY A 70 -11.659 -6.223 -3.568 1.00 0.00 C ATOM 989 C GLY A 70 -12.986 -6.154 -4.298 1.00 0.00 C ATOM 990 O GLY A 70 -13.045 -6.402 -5.505 1.00 0.00 O ATOM 0 H GLY A 70 -10.420 -4.589 -3.823 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -10.924 -6.725 -4.197 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -11.771 -6.826 -2.667 1.00 0.00 H new ATOM 994 N CYS A 71 -14.038 -5.825 -3.559 1.00 0.00 N ATOM 995 CA CYS A 71 -15.370 -5.553 -4.075 1.00 0.00 C ATOM 996 C CYS A 71 -15.978 -4.309 -3.421 1.00 0.00 C ATOM 997 O CYS A 71 -17.135 -3.970 -3.691 1.00 0.00 O ATOM 998 CB CYS A 71 -16.250 -6.774 -3.800 1.00 0.00 C ATOM 999 SG CYS A 71 -17.564 -7.028 -5.041 1.00 0.00 S ATOM 0 H CYS A 71 -13.983 -5.737 -2.544 1.00 0.00 H new ATOM 0 HA CYS A 71 -15.307 -5.361 -5.146 1.00 0.00 H new ATOM 0 HB2 CYS A 71 -15.621 -7.663 -3.763 1.00 0.00 H new ATOM 0 HB3 CYS A 71 -16.708 -6.667 -2.817 1.00 0.00 H new ATOM 1004 N ASN A 72 -15.275 -3.681 -2.476 1.00 0.00 N ATOM 1005 CA ASN A 72 -15.834 -2.733 -1.534 1.00 0.00 C ATOM 1006 C ASN A 72 -14.874 -1.568 -1.442 1.00 0.00 C ATOM 1007 O ASN A 72 -13.779 -1.658 -0.893 1.00 0.00 O ATOM 1008 CB ASN A 72 -16.021 -3.329 -0.138 1.00 0.00 C ATOM 1009 CG ASN A 72 -16.669 -4.705 -0.072 1.00 0.00 C ATOM 1010 OD1 ASN A 72 -16.350 -5.534 0.765 1.00 0.00 O ATOM 1011 ND2 ASN A 72 -17.591 -5.018 -0.964 1.00 0.00 N ATOM 0 H ASN A 72 -14.274 -3.828 -2.349 1.00 0.00 H new ATOM 0 HA ASN A 72 -16.820 -2.433 -1.889 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -15.044 -3.388 0.342 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -16.625 -2.638 0.451 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -18.025 -5.941 -0.947 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -17.869 -4.337 -1.670 1.00 0.00 H new ATOM 1018 N ARG A 73 -15.286 -0.444 -1.995 1.00 0.00 N ATOM 1019 CA ARG A 73 -14.646 0.815 -1.648 1.00 0.00 C ATOM 1020 C ARG A 73 -14.820 1.124 -0.170 1.00 0.00 C ATOM 1021 O ARG A 73 -15.698 0.592 0.521 1.00 0.00 O ATOM 1022 CB ARG A 73 -15.079 1.983 -2.546 1.00 0.00 C ATOM 1023 CG ARG A 73 -16.580 2.096 -2.735 1.00 0.00 C ATOM 1024 CD ARG A 73 -17.000 3.562 -2.984 1.00 0.00 C ATOM 1025 NE ARG A 73 -17.891 3.742 -4.139 1.00 0.00 N ATOM 1026 CZ ARG A 73 -17.647 3.451 -5.421 1.00 0.00 C ATOM 1027 NH1 ARG A 73 -16.445 3.042 -5.822 1.00 0.00 N ATOM 1028 NH2 ARG A 73 -18.631 3.562 -6.302 1.00 0.00 N ATOM 0 H ARG A 73 -16.045 -0.373 -2.673 1.00 0.00 H new ATOM 0 HA ARG A 73 -13.580 0.690 -1.838 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -14.706 2.914 -2.118 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -14.608 1.870 -3.523 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -16.891 1.477 -3.577 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -17.091 1.713 -1.852 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -17.497 3.943 -2.092 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -16.104 4.165 -3.132 1.00 0.00 H new ATOM 0 HE ARG A 73 -18.809 4.138 -3.938 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -15.687 2.945 -5.146 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -16.282 2.826 -6.805 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -19.556 3.865 -5.998 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -18.463 3.344 -7.284 1.00 0.00 H new ATOM 1042 N TYR A 74 -13.923 1.991 0.266 1.00 0.00 N ATOM 1043 CA TYR A 74 -13.637 2.338 1.633 1.00 0.00 C ATOM 1044 C TYR A 74 -13.410 3.832 1.707 1.00 0.00 C ATOM 1045 O TYR A 74 -13.383 4.511 0.674 1.00 0.00 O ATOM 1046 CB TYR A 74 -12.395 1.569 2.086 1.00 0.00 C ATOM 1047 CG TYR A 74 -11.154 1.709 1.207 1.00 0.00 C ATOM 1048 CD1 TYR A 74 -10.960 0.828 0.124 1.00 0.00 C ATOM 1049 CD2 TYR A 74 -10.143 2.636 1.531 1.00 0.00 C ATOM 1050 CE1 TYR A 74 -9.752 0.839 -0.596 1.00 0.00 C ATOM 1051 CE2 TYR A 74 -8.917 2.621 0.834 1.00 0.00 C ATOM 1052 CZ TYR A 74 -8.715 1.717 -0.229 1.00 0.00 C ATOM 1053 OH TYR A 74 -7.537 1.670 -0.906 1.00 0.00 O ATOM 0 H TYR A 74 -13.332 2.508 -0.385 1.00 0.00 H new ATOM 0 HA TYR A 74 -14.466 2.074 2.290 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -12.139 1.896 3.094 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -12.652 0.512 2.149 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -11.744 0.140 -0.155 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -10.308 3.360 2.315 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -9.619 0.171 -1.434 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -8.130 3.305 1.116 1.00 0.00 H new ATOM 0 HH TYR A 74 -7.701 1.384 -1.829 1.00 0.00 H new ATOM 1063 N MET A 75 -13.249 4.344 2.919 1.00 0.00 N ATOM 1064 CA MET A 75 -12.891 5.722 3.172 1.00 0.00 C ATOM 1065 C MET A 75 -12.313 5.858 4.579 1.00 0.00 C ATOM 1066 O MET A 75 -12.505 4.972 5.412 1.00 0.00 O ATOM 1067 CB MET A 75 -14.130 6.614 2.987 1.00 0.00 C ATOM 1068 CG MET A 75 -15.260 6.234 3.953 1.00 0.00 C ATOM 1069 SD MET A 75 -16.906 6.177 3.215 1.00 0.00 S ATOM 1070 CE MET A 75 -17.007 4.377 3.036 1.00 0.00 C ATOM 0 H MET A 75 -13.368 3.795 3.770 1.00 0.00 H new ATOM 0 HA MET A 75 -12.127 6.043 2.464 1.00 0.00 H new ATOM 0 HB2 MET A 75 -13.853 7.656 3.145 1.00 0.00 H new ATOM 0 HB3 MET A 75 -14.487 6.531 1.960 1.00 0.00 H new ATOM 0 HG2 MET A 75 -15.037 5.258 4.383 1.00 0.00 H new ATOM 0 HG3 MET A 75 -15.271 6.950 4.775 1.00 0.00 H new ATOM 0 HE1 MET A 75 -17.630 4.131 2.176 1.00 0.00 H new ATOM 0 HE2 MET A 75 -16.007 3.969 2.888 1.00 0.00 H new ATOM 0 HE3 MET A 75 -17.445 3.946 3.936 1.00 0.00 H new ATOM 1080 N GLY A 76 -11.668 6.987 4.864 1.00 0.00 N ATOM 1081 CA GLY A 76 -11.326 7.433 6.211 1.00 0.00 C ATOM 1082 C GLY A 76 -10.076 8.307 6.191 1.00 0.00 C ATOM 1083 O GLY A 76 -9.398 8.390 5.167 1.00 0.00 O ATOM 0 H GLY A 76 -11.360 7.636 4.140 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -12.159 7.992 6.636 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -11.161 6.569 6.854 1.00 0.00 H new ATOM 1087 N SER A 77 -9.808 9.032 7.278 1.00 0.00 N ATOM 1088 CA SER A 77 -8.866 10.147 7.245 1.00 0.00 C ATOM 1089 C SER A 77 -7.419 9.636 7.171 1.00 0.00 C ATOM 1090 O SER A 77 -7.152 8.459 7.436 1.00 0.00 O ATOM 1091 CB SER A 77 -9.112 11.077 8.443 1.00 0.00 C ATOM 1092 OG SER A 77 -8.690 10.522 9.677 1.00 0.00 O ATOM 0 H SER A 77 -10.231 8.866 8.191 1.00 0.00 H new ATOM 0 HA SER A 77 -9.029 10.735 6.342 1.00 0.00 H new ATOM 0 HB2 SER A 77 -8.588 12.018 8.277 1.00 0.00 H new ATOM 0 HB3 SER A 77 -10.175 11.310 8.502 1.00 0.00 H new ATOM 0 HG SER A 77 -8.870 11.158 10.400 1.00 0.00 H new ATOM 1098 N TYR A 78 -6.470 10.529 6.889 1.00 0.00 N ATOM 1099 CA TYR A 78 -5.040 10.252 6.983 1.00 0.00 C ATOM 1100 C TYR A 78 -4.272 11.387 7.665 1.00 0.00 C ATOM 1101 O TYR A 78 -4.842 12.407 8.070 1.00 0.00 O ATOM 1102 CB TYR A 78 -4.466 9.836 5.614 1.00 0.00 C ATOM 1103 CG TYR A 78 -4.749 10.705 4.410 1.00 0.00 C ATOM 1104 CD1 TYR A 78 -4.038 11.903 4.199 1.00 0.00 C ATOM 1105 CD2 TYR A 78 -5.620 10.225 3.418 1.00 0.00 C ATOM 1106 CE1 TYR A 78 -4.214 12.623 3.003 1.00 0.00 C ATOM 1107 CE2 TYR A 78 -5.789 10.939 2.222 1.00 0.00 C ATOM 1108 CZ TYR A 78 -5.101 12.147 2.011 1.00 0.00 C ATOM 1109 OH TYR A 78 -5.314 12.824 0.853 1.00 0.00 O ATOM 0 H TYR A 78 -6.679 11.480 6.584 1.00 0.00 H new ATOM 0 HA TYR A 78 -4.903 9.394 7.641 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -3.384 9.761 5.719 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -4.835 8.835 5.392 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -3.358 12.268 4.955 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -6.161 9.304 3.576 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -3.670 13.542 2.843 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -6.452 10.558 1.459 1.00 0.00 H new ATOM 0 HH TYR A 78 -5.957 12.333 0.301 1.00 0.00 H new ATOM 1119 N ALA A 79 -2.969 11.180 7.856 1.00 0.00 N ATOM 1120 CA ALA A 79 -2.001 12.158 8.331 1.00 0.00 C ATOM 1121 C ALA A 79 -0.644 11.800 7.728 1.00 0.00 C ATOM 1122 O ALA A 79 -0.361 10.624 7.484 1.00 0.00 O ATOM 1123 CB ALA A 79 -1.913 12.136 9.860 1.00 0.00 C ATOM 0 H ALA A 79 -2.541 10.273 7.672 1.00 0.00 H new ATOM 0 HA ALA A 79 -2.307 13.160 8.029 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -1.184 12.875 10.193 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -2.889 12.373 10.284 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -1.604 11.145 10.192 1.00 0.00 H new ATOM 1129 N LEU A 80 0.191 12.812 7.497 1.00 0.00 N ATOM 1130 CA LEU A 80 1.359 12.745 6.624 1.00 0.00 C ATOM 1131 C LEU A 80 2.566 13.256 7.396 1.00 0.00 C ATOM 1132 O LEU A 80 2.971 14.415 7.253 1.00 0.00 O ATOM 1133 CB LEU A 80 1.104 13.577 5.351 1.00 0.00 C ATOM 1134 CG LEU A 80 -0.117 13.143 4.518 1.00 0.00 C ATOM 1135 CD1 LEU A 80 -0.228 13.986 3.246 1.00 0.00 C ATOM 1136 CD2 LEU A 80 -0.051 11.659 4.162 1.00 0.00 C ATOM 0 H LEU A 80 0.068 13.729 7.926 1.00 0.00 H new ATOM 0 HA LEU A 80 1.551 11.718 6.312 1.00 0.00 H new ATOM 0 HB2 LEU A 80 0.976 14.621 5.638 1.00 0.00 H new ATOM 0 HB3 LEU A 80 1.991 13.527 4.720 1.00 0.00 H new ATOM 0 HG LEU A 80 -1.006 13.305 5.128 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -1.096 13.664 2.671 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -0.339 15.037 3.514 1.00 0.00 H new ATOM 0 HD13 LEU A 80 0.672 13.858 2.645 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -0.928 11.386 3.574 1.00 0.00 H new ATOM 0 HD22 LEU A 80 0.850 11.464 3.581 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -0.029 11.066 5.076 1.00 0.00 H new ATOM 1148 N LYS A 81 3.111 12.401 8.256 1.00 0.00 N ATOM 1149 CA LYS A 81 4.136 12.756 9.240 1.00 0.00 C ATOM 1150 C LYS A 81 5.068 11.573 9.452 1.00 0.00 C ATOM 1151 O LYS A 81 4.712 10.459 9.075 1.00 0.00 O ATOM 1152 CB LYS A 81 3.452 13.166 10.561 1.00 0.00 C ATOM 1153 CG LYS A 81 2.857 11.976 11.348 1.00 0.00 C ATOM 1154 CD LYS A 81 1.752 12.388 12.326 1.00 0.00 C ATOM 1155 CE LYS A 81 2.178 13.450 13.349 1.00 0.00 C ATOM 1156 NZ LYS A 81 2.975 12.916 14.474 1.00 0.00 N ATOM 0 H LYS A 81 2.847 11.416 8.291 1.00 0.00 H new ATOM 0 HA LYS A 81 4.727 13.597 8.879 1.00 0.00 H new ATOM 0 HB2 LYS A 81 4.178 13.680 11.191 1.00 0.00 H new ATOM 0 HB3 LYS A 81 2.657 13.879 10.342 1.00 0.00 H new ATOM 0 HG2 LYS A 81 2.456 11.248 10.643 1.00 0.00 H new ATOM 0 HG3 LYS A 81 3.655 11.479 11.900 1.00 0.00 H new ATOM 0 HD2 LYS A 81 0.903 12.768 11.758 1.00 0.00 H new ATOM 0 HD3 LYS A 81 1.407 11.503 12.861 1.00 0.00 H new ATOM 0 HE2 LYS A 81 2.758 14.219 12.839 1.00 0.00 H new ATOM 0 HE3 LYS A 81 1.286 13.935 13.747 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 3.225 13.691 15.121 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 2.418 12.203 14.986 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 3.844 12.478 14.107 1.00 0.00 H new ATOM 1170 N ASP A 82 6.199 11.781 10.126 1.00 0.00 N ATOM 1171 CA ASP A 82 7.084 10.707 10.600 1.00 0.00 C ATOM 1172 C ASP A 82 7.560 9.792 9.462 1.00 0.00 C ATOM 1173 O ASP A 82 7.852 8.611 9.662 1.00 0.00 O ATOM 1174 CB ASP A 82 6.356 9.956 11.727 1.00 0.00 C ATOM 1175 CG ASP A 82 7.268 9.282 12.747 1.00 0.00 C ATOM 1176 OD1 ASP A 82 8.195 9.947 13.275 1.00 0.00 O ATOM 1177 OD2 ASP A 82 6.888 8.184 13.217 1.00 0.00 O ATOM 0 H ASP A 82 6.535 12.714 10.364 1.00 0.00 H new ATOM 0 HA ASP A 82 8.005 11.133 10.998 1.00 0.00 H new ATOM 0 HB2 ASP A 82 5.707 10.658 12.250 1.00 0.00 H new ATOM 0 HB3 ASP A 82 5.712 9.198 11.281 1.00 0.00 H new ATOM 1182 N GLY A 83 7.577 10.334 8.241 1.00 0.00 N ATOM 1183 CA GLY A 83 7.899 9.647 7.007 1.00 0.00 C ATOM 1184 C GLY A 83 6.735 8.825 6.438 1.00 0.00 C ATOM 1185 O GLY A 83 6.823 8.415 5.279 1.00 0.00 O ATOM 0 H GLY A 83 7.353 11.317 8.089 1.00 0.00 H new ATOM 0 HA2 GLY A 83 8.212 10.381 6.264 1.00 0.00 H new ATOM 0 HA3 GLY A 83 8.749 8.986 7.180 1.00 0.00 H new ATOM 1189 N LYS A 84 5.633 8.595 7.169 1.00 0.00 N ATOM 1190 CA LYS A 84 4.651 7.557 6.844 1.00 0.00 C ATOM 1191 C LYS A 84 3.245 8.105 6.620 1.00 0.00 C ATOM 1192 O LYS A 84 2.749 8.958 7.359 1.00 0.00 O ATOM 1193 CB LYS A 84 4.727 6.426 7.882 1.00 0.00 C ATOM 1194 CG LYS A 84 4.164 6.745 9.270 1.00 0.00 C ATOM 1195 CD LYS A 84 5.070 6.158 10.366 1.00 0.00 C ATOM 1196 CE LYS A 84 4.397 6.141 11.741 1.00 0.00 C ATOM 1197 NZ LYS A 84 5.383 5.908 12.818 1.00 0.00 N ATOM 0 H LYS A 84 5.400 9.129 8.006 1.00 0.00 H new ATOM 0 HA LYS A 84 4.912 7.129 5.876 1.00 0.00 H new ATOM 0 HB2 LYS A 84 4.194 5.561 7.486 1.00 0.00 H new ATOM 0 HB3 LYS A 84 5.771 6.133 7.994 1.00 0.00 H new ATOM 0 HG2 LYS A 84 4.082 7.825 9.397 1.00 0.00 H new ATOM 0 HG3 LYS A 84 3.158 6.336 9.364 1.00 0.00 H new ATOM 0 HD2 LYS A 84 5.353 5.142 10.092 1.00 0.00 H new ATOM 0 HD3 LYS A 84 5.989 6.741 10.423 1.00 0.00 H new ATOM 0 HE2 LYS A 84 3.887 7.089 11.911 1.00 0.00 H new ATOM 0 HE3 LYS A 84 3.636 5.361 11.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 4.884 5.750 13.717 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 5.957 5.071 12.588 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 6.002 6.739 12.907 1.00 0.00 H new ATOM 1211 N LEU A 85 2.595 7.580 5.581 1.00 0.00 N ATOM 1212 CA LEU A 85 1.166 7.746 5.341 1.00 0.00 C ATOM 1213 C LEU A 85 0.470 6.982 6.451 1.00 0.00 C ATOM 1214 O LEU A 85 0.537 5.753 6.463 1.00 0.00 O ATOM 1215 CB LEU A 85 0.763 7.193 3.962 1.00 0.00 C ATOM 1216 CG LEU A 85 -0.754 7.122 3.697 1.00 0.00 C ATOM 1217 CD1 LEU A 85 -1.451 8.478 3.815 1.00 0.00 C ATOM 1218 CD2 LEU A 85 -0.969 6.581 2.278 1.00 0.00 C ATOM 0 H LEU A 85 3.059 7.016 4.869 1.00 0.00 H new ATOM 0 HA LEU A 85 0.887 8.800 5.340 1.00 0.00 H new ATOM 0 HB2 LEU A 85 1.221 7.814 3.192 1.00 0.00 H new ATOM 0 HB3 LEU A 85 1.181 6.192 3.854 1.00 0.00 H new ATOM 0 HG LEU A 85 -1.189 6.471 4.455 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -2.516 8.358 3.617 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -1.311 8.873 4.821 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -1.023 9.171 3.091 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -2.037 6.522 2.069 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -0.495 7.248 1.558 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -0.528 5.587 2.197 1.00 0.00 H new ATOM 1230 N SER A 86 -0.114 7.701 7.396 1.00 0.00 N ATOM 1231 CA SER A 86 -0.886 7.141 8.492 1.00 0.00 C ATOM 1232 C SER A 86 -2.375 7.277 8.179 1.00 0.00 C ATOM 1233 O SER A 86 -2.743 8.062 7.308 1.00 0.00 O ATOM 1234 CB SER A 86 -0.536 7.915 9.753 1.00 0.00 C ATOM 1235 OG SER A 86 0.867 7.875 9.992 1.00 0.00 O ATOM 0 H SER A 86 -0.062 8.719 7.422 1.00 0.00 H new ATOM 0 HA SER A 86 -0.657 6.084 8.632 1.00 0.00 H new ATOM 0 HB2 SER A 86 -0.864 8.950 9.654 1.00 0.00 H new ATOM 0 HB3 SER A 86 -1.068 7.492 10.605 1.00 0.00 H new ATOM 0 HG SER A 86 1.075 8.379 10.806 1.00 0.00 H new ATOM 1241 N PHE A 87 -3.228 6.554 8.904 1.00 0.00 N ATOM 1242 CA PHE A 87 -4.669 6.508 8.655 1.00 0.00 C ATOM 1243 C PHE A 87 -5.450 6.581 9.963 1.00 0.00 C ATOM 1244 O PHE A 87 -5.001 6.046 10.981 1.00 0.00 O ATOM 1245 CB PHE A 87 -5.043 5.231 7.893 1.00 0.00 C ATOM 1246 CG PHE A 87 -4.438 5.124 6.505 1.00 0.00 C ATOM 1247 CD1 PHE A 87 -5.052 5.787 5.424 1.00 0.00 C ATOM 1248 CD2 PHE A 87 -3.270 4.367 6.286 1.00 0.00 C ATOM 1249 CE1 PHE A 87 -4.544 5.637 4.124 1.00 0.00 C ATOM 1250 CE2 PHE A 87 -2.739 4.255 4.987 1.00 0.00 C ATOM 1251 CZ PHE A 87 -3.408 4.845 3.901 1.00 0.00 C ATOM 0 H PHE A 87 -2.934 5.976 9.691 1.00 0.00 H new ATOM 0 HA PHE A 87 -4.932 7.373 8.046 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -4.728 4.368 8.480 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -6.128 5.179 7.807 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -5.916 6.412 5.596 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -2.783 3.873 7.114 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -5.028 6.132 3.295 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -1.817 3.716 4.825 1.00 0.00 H new ATOM 0 HZ PHE A 87 -3.048 4.689 2.895 1.00 0.00 H new ATOM 1261 N GLY A 88 -6.635 7.191 9.925 1.00 0.00 N ATOM 1262 CA GLY A 88 -7.624 7.224 10.998 1.00 0.00 C ATOM 1263 C GLY A 88 -8.556 6.016 10.908 1.00 0.00 C ATOM 1264 O GLY A 88 -8.174 4.969 10.378 1.00 0.00 O ATOM 0 H GLY A 88 -6.946 7.703 9.099 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -7.120 7.230 11.964 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -8.205 8.144 10.936 1.00 0.00 H new ATOM 1268 N THR A 89 -9.777 6.145 11.434 1.00 0.00 N ATOM 1269 CA THR A 89 -10.806 5.113 11.335 1.00 0.00 C ATOM 1270 C THR A 89 -11.195 4.911 9.871 1.00 0.00 C ATOM 1271 O THR A 89 -11.994 5.681 9.323 1.00 0.00 O ATOM 1272 CB THR A 89 -12.025 5.473 12.203 1.00 0.00 C ATOM 1273 OG1 THR A 89 -11.624 5.767 13.530 1.00 0.00 O ATOM 1274 CG2 THR A 89 -13.010 4.308 12.274 1.00 0.00 C ATOM 0 H THR A 89 -10.079 6.975 11.944 1.00 0.00 H new ATOM 0 HA THR A 89 -10.408 4.172 11.715 1.00 0.00 H new ATOM 0 HB THR A 89 -12.498 6.341 11.742 1.00 0.00 H new ATOM 0 HG1 THR A 89 -12.412 5.995 14.067 1.00 0.00 H new ATOM 0 HG21 THR A 89 -13.862 4.589 12.893 1.00 0.00 H new ATOM 0 HG22 THR A 89 -13.356 4.063 11.270 1.00 0.00 H new ATOM 0 HG23 THR A 89 -12.516 3.440 12.709 1.00 0.00 H new ATOM 1282 N LEU A 90 -10.629 3.890 9.236 1.00 0.00 N ATOM 1283 CA LEU A 90 -11.031 3.449 7.912 1.00 0.00 C ATOM 1284 C LEU A 90 -12.215 2.491 8.045 1.00 0.00 C ATOM 1285 O LEU A 90 -12.469 1.954 9.126 1.00 0.00 O ATOM 1286 CB LEU A 90 -9.869 2.720 7.220 1.00 0.00 C ATOM 1287 CG LEU A 90 -8.589 3.556 7.044 1.00 0.00 C ATOM 1288 CD1 LEU A 90 -7.460 2.637 6.596 1.00 0.00 C ATOM 1289 CD2 LEU A 90 -8.770 4.677 6.021 1.00 0.00 C ATOM 0 H LEU A 90 -9.868 3.340 9.635 1.00 0.00 H new ATOM 0 HA LEU A 90 -11.312 4.317 7.315 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -9.625 1.827 7.796 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -10.204 2.384 6.238 1.00 0.00 H new ATOM 0 HG LEU A 90 -8.354 4.022 8.001 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -6.547 3.218 6.468 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -7.297 1.867 7.350 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -7.727 2.167 5.649 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -7.841 5.240 5.930 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -9.030 4.248 5.053 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -9.568 5.343 6.349 1.00 0.00 H new ATOM 1301 N GLY A 91 -12.885 2.214 6.933 1.00 0.00 N ATOM 1302 CA GLY A 91 -13.917 1.198 6.803 1.00 0.00 C ATOM 1303 C GLY A 91 -14.633 1.411 5.468 1.00 0.00 C ATOM 1304 O GLY A 91 -14.173 2.215 4.652 1.00 0.00 O ATOM 0 H GLY A 91 -12.715 2.714 6.061 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -13.477 0.202 6.843 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -14.625 1.267 7.629 1.00 0.00 H new ATOM 1308 N GLY A 92 -15.729 0.699 5.203 1.00 0.00 N ATOM 1309 CA GLY A 92 -16.453 0.823 3.947 1.00 0.00 C ATOM 1310 C GLY A 92 -17.738 -0.011 3.916 1.00 0.00 C ATOM 1311 O GLY A 92 -18.417 -0.201 4.931 1.00 0.00 O ATOM 0 H GLY A 92 -16.134 0.025 5.852 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -16.702 1.871 3.778 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -15.805 0.513 3.127 1.00 0.00 H new ATOM 1315 N THR A 93 -18.126 -0.444 2.717 1.00 0.00 N ATOM 1316 CA THR A 93 -19.272 -1.323 2.460 1.00 0.00 C ATOM 1317 C THR A 93 -18.907 -2.807 2.616 1.00 0.00 C ATOM 1318 O THR A 93 -17.728 -3.137 2.678 1.00 0.00 O ATOM 1319 CB THR A 93 -19.790 -1.040 1.043 1.00 0.00 C ATOM 1320 OG1 THR A 93 -18.714 -1.041 0.123 1.00 0.00 O ATOM 1321 CG2 THR A 93 -20.512 0.308 0.977 1.00 0.00 C ATOM 0 H THR A 93 -17.633 -0.183 1.863 1.00 0.00 H new ATOM 0 HA THR A 93 -20.048 -1.115 3.196 1.00 0.00 H new ATOM 0 HB THR A 93 -20.498 -1.827 0.783 1.00 0.00 H new ATOM 0 HG1 THR A 93 -18.658 -0.167 -0.316 1.00 0.00 H new ATOM 0 HG21 THR A 93 -20.868 0.481 -0.039 1.00 0.00 H new ATOM 0 HG22 THR A 93 -21.360 0.301 1.662 1.00 0.00 H new ATOM 0 HG23 THR A 93 -19.823 1.104 1.261 1.00 0.00 H new ATOM 1329 N ARG A 94 -19.903 -3.708 2.587 1.00 0.00 N ATOM 1330 CA ARG A 94 -19.710 -5.168 2.605 1.00 0.00 C ATOM 1331 C ARG A 94 -20.511 -5.838 1.485 1.00 0.00 C ATOM 1332 O ARG A 94 -21.459 -6.589 1.732 1.00 0.00 O ATOM 1333 CB ARG A 94 -20.067 -5.765 3.976 1.00 0.00 C ATOM 1334 CG ARG A 94 -19.338 -5.098 5.148 1.00 0.00 C ATOM 1335 CD ARG A 94 -19.115 -6.127 6.253 1.00 0.00 C ATOM 1336 NE ARG A 94 -18.754 -5.496 7.524 1.00 0.00 N ATOM 1337 CZ ARG A 94 -18.005 -6.012 8.501 1.00 0.00 C ATOM 1338 NH1 ARG A 94 -17.419 -7.203 8.380 1.00 0.00 N ATOM 1339 NH2 ARG A 94 -17.875 -5.301 9.614 1.00 0.00 N ATOM 0 H ARG A 94 -20.885 -3.436 2.550 1.00 0.00 H new ATOM 0 HA ARG A 94 -18.653 -5.365 2.428 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -21.142 -5.677 4.132 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -19.831 -6.829 3.971 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -18.383 -4.693 4.814 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -19.924 -4.261 5.527 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -20.021 -6.718 6.386 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -18.326 -6.816 5.953 1.00 0.00 H new ATOM 0 HE ARG A 94 -19.116 -4.555 7.681 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -17.537 -7.745 7.524 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -16.852 -7.572 9.143 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -18.339 -4.396 9.698 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -17.311 -5.659 10.385 1.00 0.00 H new ATOM 1353 N MET A 95 -20.202 -5.509 0.236 1.00 0.00 N ATOM 1354 CA MET A 95 -20.813 -6.123 -0.943 1.00 0.00 C ATOM 1355 C MET A 95 -20.097 -7.451 -1.225 1.00 0.00 C ATOM 1356 O MET A 95 -18.889 -7.549 -0.992 1.00 0.00 O ATOM 1357 CB MET A 95 -20.687 -5.207 -2.175 1.00 0.00 C ATOM 1358 CG MET A 95 -20.541 -3.698 -1.904 1.00 0.00 C ATOM 1359 SD MET A 95 -20.250 -2.767 -3.424 1.00 0.00 S ATOM 1360 CE MET A 95 -19.636 -1.175 -2.821 1.00 0.00 C ATOM 0 H MET A 95 -19.509 -4.797 0.008 1.00 0.00 H new ATOM 0 HA MET A 95 -21.873 -6.287 -0.748 1.00 0.00 H new ATOM 0 HB2 MET A 95 -19.824 -5.534 -2.755 1.00 0.00 H new ATOM 0 HB3 MET A 95 -21.566 -5.357 -2.801 1.00 0.00 H new ATOM 0 HG2 MET A 95 -21.444 -3.327 -1.418 1.00 0.00 H new ATOM 0 HG3 MET A 95 -19.715 -3.531 -1.212 1.00 0.00 H new ATOM 0 HE1 MET A 95 -19.742 -0.424 -3.604 1.00 0.00 H new ATOM 0 HE2 MET A 95 -20.211 -0.871 -1.946 1.00 0.00 H new ATOM 0 HE3 MET A 95 -18.585 -1.270 -2.550 1.00 0.00 H new ATOM 1370 N ALA A 96 -20.794 -8.438 -1.786 1.00 0.00 N ATOM 1371 CA ALA A 96 -20.232 -9.753 -2.094 1.00 0.00 C ATOM 1372 C ALA A 96 -19.650 -9.779 -3.510 1.00 0.00 C ATOM 1373 O ALA A 96 -20.285 -9.256 -4.438 1.00 0.00 O ATOM 1374 CB ALA A 96 -21.325 -10.818 -1.967 1.00 0.00 C ATOM 0 H ALA A 96 -21.777 -8.346 -2.043 1.00 0.00 H new ATOM 0 HA ALA A 96 -19.429 -9.962 -1.387 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -20.907 -11.798 -2.196 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -21.715 -10.819 -0.949 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -22.132 -10.596 -2.665 1.00 0.00 H new ATOM 1380 N CYS A 97 -18.505 -10.444 -3.705 1.00 0.00 N ATOM 1381 CA CYS A 97 -17.922 -10.691 -5.028 1.00 0.00 C ATOM 1382 C CYS A 97 -17.814 -12.169 -5.389 1.00 0.00 C ATOM 1383 O CYS A 97 -17.788 -12.480 -6.575 1.00 0.00 O ATOM 1384 CB CYS A 97 -16.546 -10.023 -5.162 1.00 0.00 C ATOM 1385 SG CYS A 97 -16.495 -8.632 -6.328 1.00 0.00 S ATOM 0 H CYS A 97 -17.952 -10.830 -2.940 1.00 0.00 H new ATOM 0 HA CYS A 97 -18.619 -10.243 -5.736 1.00 0.00 H new ATOM 0 HB2 CYS A 97 -16.231 -9.670 -4.180 1.00 0.00 H new ATOM 0 HB3 CYS A 97 -15.821 -10.773 -5.479 1.00 0.00 H new ATOM 1390 N MET A 98 -17.807 -13.074 -4.409 1.00 0.00 N ATOM 1391 CA MET A 98 -17.676 -14.519 -4.608 1.00 0.00 C ATOM 1392 C MET A 98 -16.277 -14.912 -5.120 1.00 0.00 C ATOM 1393 O MET A 98 -16.078 -16.010 -5.648 1.00 0.00 O ATOM 1394 CB MET A 98 -18.820 -15.103 -5.478 1.00 0.00 C ATOM 1395 CG MET A 98 -20.192 -14.394 -5.435 1.00 0.00 C ATOM 1396 SD MET A 98 -21.617 -15.435 -5.035 1.00 0.00 S ATOM 1397 CE MET A 98 -21.337 -15.565 -3.255 1.00 0.00 C ATOM 0 H MET A 98 -17.895 -12.815 -3.426 1.00 0.00 H new ATOM 0 HA MET A 98 -17.781 -14.980 -3.626 1.00 0.00 H new ATOM 0 HB2 MET A 98 -18.481 -15.114 -6.514 1.00 0.00 H new ATOM 0 HB3 MET A 98 -18.970 -16.141 -5.181 1.00 0.00 H new ATOM 0 HG2 MET A 98 -20.139 -13.589 -4.702 1.00 0.00 H new ATOM 0 HG3 MET A 98 -20.368 -13.930 -6.405 1.00 0.00 H new ATOM 0 HE1 MET A 98 -22.120 -16.178 -2.807 1.00 0.00 H new ATOM 0 HE2 MET A 98 -20.366 -16.026 -3.072 1.00 0.00 H new ATOM 0 HE3 MET A 98 -21.356 -14.570 -2.810 1.00 0.00 H new ATOM 1407 N THR A 99 -15.291 -14.036 -4.945 1.00 0.00 N ATOM 1408 CA THR A 99 -13.901 -14.193 -5.378 1.00 0.00 C ATOM 1409 C THR A 99 -12.943 -14.124 -4.175 1.00 0.00 C ATOM 1410 O THR A 99 -13.250 -13.458 -3.177 1.00 0.00 O ATOM 1411 CB THR A 99 -13.544 -13.113 -6.420 1.00 0.00 C ATOM 1412 OG1 THR A 99 -13.681 -11.829 -5.845 1.00 0.00 O ATOM 1413 CG2 THR A 99 -14.404 -13.197 -7.684 1.00 0.00 C ATOM 0 H THR A 99 -15.447 -13.147 -4.471 1.00 0.00 H new ATOM 0 HA THR A 99 -13.791 -15.174 -5.840 1.00 0.00 H new ATOM 0 HB THR A 99 -12.511 -13.291 -6.718 1.00 0.00 H new ATOM 0 HG1 THR A 99 -13.452 -11.147 -6.510 1.00 0.00 H new ATOM 0 HG21 THR A 99 -14.106 -12.412 -8.379 1.00 0.00 H new ATOM 0 HG22 THR A 99 -14.265 -14.170 -8.154 1.00 0.00 H new ATOM 0 HG23 THR A 99 -15.453 -13.068 -7.419 1.00 0.00 H new ATOM 1421 N PRO A 100 -11.740 -14.720 -4.267 1.00 0.00 N ATOM 1422 CA PRO A 100 -10.750 -14.659 -3.197 1.00 0.00 C ATOM 1423 C PRO A 100 -10.227 -13.235 -2.986 1.00 0.00 C ATOM 1424 O PRO A 100 -9.840 -12.863 -1.878 1.00 0.00 O ATOM 1425 CB PRO A 100 -9.638 -15.627 -3.610 1.00 0.00 C ATOM 1426 CG PRO A 100 -9.762 -15.737 -5.127 1.00 0.00 C ATOM 1427 CD PRO A 100 -11.245 -15.503 -5.389 1.00 0.00 C ATOM 0 HA PRO A 100 -11.182 -14.943 -2.237 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -8.657 -15.250 -3.319 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -9.761 -16.599 -3.131 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -9.144 -14.995 -5.634 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -9.442 -16.716 -5.485 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -11.395 -14.972 -6.329 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -11.780 -16.449 -5.468 1.00 0.00 H new ATOM 1435 N GLY A 101 -10.217 -12.410 -4.031 1.00 0.00 N ATOM 1436 CA GLY A 101 -9.812 -11.023 -3.947 1.00 0.00 C ATOM 1437 C GLY A 101 -10.891 -10.120 -3.374 1.00 0.00 C ATOM 1438 O GLY A 101 -10.593 -8.955 -3.119 1.00 0.00 O ATOM 0 H GLY A 101 -10.495 -12.698 -4.969 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -8.918 -10.949 -3.328 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -9.541 -10.669 -4.942 1.00 0.00 H new ATOM 1442 N GLY A 102 -12.118 -10.603 -3.168 1.00 0.00 N ATOM 1443 CA GLY A 102 -13.101 -9.890 -2.373 1.00 0.00 C ATOM 1444 C GLY A 102 -12.770 -10.057 -0.892 1.00 0.00 C ATOM 1445 O GLY A 102 -12.721 -9.070 -0.165 1.00 0.00 O ATOM 0 H GLY A 102 -12.449 -11.491 -3.546 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -13.104 -8.833 -2.640 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -14.100 -10.274 -2.580 1.00 0.00 H new ATOM 1449 N GLN A 103 -12.500 -11.288 -0.442 1.00 0.00 N ATOM 1450 CA GLN A 103 -12.427 -11.626 0.982 1.00 0.00 C ATOM 1451 C GLN A 103 -11.207 -11.032 1.684 1.00 0.00 C ATOM 1452 O GLN A 103 -11.221 -10.846 2.903 1.00 0.00 O ATOM 1453 CB GLN A 103 -12.417 -13.150 1.144 1.00 0.00 C ATOM 1454 CG GLN A 103 -13.777 -13.735 0.749 1.00 0.00 C ATOM 1455 CD GLN A 103 -13.873 -15.215 1.089 1.00 0.00 C ATOM 1456 OE1 GLN A 103 -13.915 -16.060 0.196 1.00 0.00 O ATOM 1457 NE2 GLN A 103 -13.878 -15.575 2.362 1.00 0.00 N ATOM 0 H GLN A 103 -12.325 -12.081 -1.060 1.00 0.00 H new ATOM 0 HA GLN A 103 -13.306 -11.189 1.455 1.00 0.00 H new ATOM 0 HB2 GLN A 103 -11.633 -13.583 0.523 1.00 0.00 H new ATOM 0 HB3 GLN A 103 -12.187 -13.411 2.177 1.00 0.00 H new ATOM 0 HG2 GLN A 103 -14.570 -13.191 1.263 1.00 0.00 H new ATOM 0 HG3 GLN A 103 -13.936 -13.596 -0.320 1.00 0.00 H new ATOM 0 HE21 GLN A 103 -13.843 -14.865 3.093 1.00 0.00 H new ATOM 0 HE22 GLN A 103 -13.917 -16.563 2.612 1.00 0.00 H new ATOM 1466 N ILE A 104 -10.141 -10.731 0.942 1.00 0.00 N ATOM 1467 CA ILE A 104 -8.928 -10.126 1.498 1.00 0.00 C ATOM 1468 C ILE A 104 -9.185 -8.707 2.061 1.00 0.00 C ATOM 1469 O ILE A 104 -8.359 -8.178 2.807 1.00 0.00 O ATOM 1470 CB ILE A 104 -7.773 -10.266 0.480 1.00 0.00 C ATOM 1471 CG1 ILE A 104 -6.413 -9.981 1.150 1.00 0.00 C ATOM 1472 CG2 ILE A 104 -7.951 -9.410 -0.779 1.00 0.00 C ATOM 1473 CD1 ILE A 104 -5.219 -10.515 0.352 1.00 0.00 C ATOM 0 H ILE A 104 -10.093 -10.900 -0.063 1.00 0.00 H new ATOM 0 HA ILE A 104 -8.603 -10.670 2.385 1.00 0.00 H new ATOM 0 HB ILE A 104 -7.796 -11.302 0.143 1.00 0.00 H new ATOM 0 HG12 ILE A 104 -6.300 -8.905 1.283 1.00 0.00 H new ATOM 0 HG13 ILE A 104 -6.405 -10.428 2.144 1.00 0.00 H new ATOM 0 HG21 ILE A 104 -7.102 -9.562 -1.445 1.00 0.00 H new ATOM 0 HG22 ILE A 104 -8.869 -9.701 -1.290 1.00 0.00 H new ATOM 0 HG23 ILE A 104 -8.009 -8.358 -0.499 1.00 0.00 H new ATOM 0 HD11 ILE A 104 -4.295 -10.280 0.880 1.00 0.00 H new ATOM 0 HD12 ILE A 104 -5.309 -11.596 0.241 1.00 0.00 H new ATOM 0 HD13 ILE A 104 -5.202 -10.049 -0.633 1.00 0.00 H new ATOM 1485 N GLU A 105 -10.370 -8.142 1.818 1.00 0.00 N ATOM 1486 CA GLU A 105 -10.900 -6.912 2.397 1.00 0.00 C ATOM 1487 C GLU A 105 -11.043 -7.014 3.928 1.00 0.00 C ATOM 1488 O GLU A 105 -11.126 -6.000 4.615 1.00 0.00 O ATOM 1489 CB GLU A 105 -12.269 -6.684 1.716 1.00 0.00 C ATOM 1490 CG GLU A 105 -13.122 -5.483 2.147 1.00 0.00 C ATOM 1491 CD GLU A 105 -13.898 -5.678 3.460 1.00 0.00 C ATOM 1492 OE1 GLU A 105 -14.533 -6.740 3.666 1.00 0.00 O ATOM 1493 OE2 GLU A 105 -13.883 -4.749 4.305 1.00 0.00 O ATOM 0 H GLU A 105 -11.029 -8.565 1.164 1.00 0.00 H new ATOM 0 HA GLU A 105 -10.224 -6.075 2.225 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -12.093 -6.595 0.644 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -12.866 -7.583 1.867 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -12.473 -4.614 2.251 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -13.833 -5.257 1.352 1.00 0.00 H new ATOM 1500 N GLY A 106 -11.008 -8.212 4.508 1.00 0.00 N ATOM 1501 CA GLY A 106 -10.927 -8.340 5.954 1.00 0.00 C ATOM 1502 C GLY A 106 -9.500 -8.236 6.481 1.00 0.00 C ATOM 1503 O GLY A 106 -9.298 -7.797 7.613 1.00 0.00 O ATOM 0 H GLY A 106 -11.034 -9.097 4.002 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -11.537 -7.564 6.417 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -11.350 -9.299 6.253 1.00 0.00 H new ATOM 1507 N ALA A 107 -8.497 -8.627 5.695 1.00 0.00 N ATOM 1508 CA ALA A 107 -7.105 -8.501 6.100 1.00 0.00 C ATOM 1509 C ALA A 107 -6.652 -7.049 5.937 1.00 0.00 C ATOM 1510 O ALA A 107 -6.019 -6.499 6.835 1.00 0.00 O ATOM 1511 CB ALA A 107 -6.240 -9.454 5.264 1.00 0.00 C ATOM 0 H ALA A 107 -8.628 -9.035 4.770 1.00 0.00 H new ATOM 0 HA ALA A 107 -6.996 -8.774 7.150 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -5.197 -9.360 5.567 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -6.572 -10.480 5.422 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -6.335 -9.200 4.208 1.00 0.00 H new ATOM 1517 N TYR A 108 -6.952 -6.433 4.787 1.00 0.00 N ATOM 1518 CA TYR A 108 -6.278 -5.213 4.337 1.00 0.00 C ATOM 1519 C TYR A 108 -6.485 -4.052 5.332 1.00 0.00 C ATOM 1520 O TYR A 108 -5.561 -3.279 5.583 1.00 0.00 O ATOM 1521 CB TYR A 108 -6.744 -4.871 2.900 1.00 0.00 C ATOM 1522 CG TYR A 108 -7.872 -3.870 2.752 1.00 0.00 C ATOM 1523 CD1 TYR A 108 -9.109 -4.174 3.315 1.00 0.00 C ATOM 1524 CD2 TYR A 108 -7.710 -2.650 2.065 1.00 0.00 C ATOM 1525 CE1 TYR A 108 -10.218 -3.350 3.127 1.00 0.00 C ATOM 1526 CE2 TYR A 108 -8.790 -1.754 1.959 1.00 0.00 C ATOM 1527 CZ TYR A 108 -10.062 -2.125 2.458 1.00 0.00 C ATOM 1528 OH TYR A 108 -11.137 -1.323 2.290 1.00 0.00 O ATOM 0 H TYR A 108 -7.669 -6.768 4.144 1.00 0.00 H new ATOM 0 HA TYR A 108 -5.202 -5.382 4.308 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -5.884 -4.493 2.348 1.00 0.00 H new ATOM 0 HB3 TYR A 108 -7.051 -5.798 2.416 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -9.212 -5.069 3.911 1.00 0.00 H new ATOM 0 HD2 TYR A 108 -6.757 -2.403 1.620 1.00 0.00 H new ATOM 0 HE1 TYR A 108 -11.189 -3.651 3.493 1.00 0.00 H new ATOM 0 HE2 TYR A 108 -8.649 -0.787 1.499 1.00 0.00 H new ATOM 0 HH TYR A 108 -10.879 -0.534 1.769 1.00 0.00 H new ATOM 1538 N LEU A 109 -7.681 -3.952 5.927 1.00 0.00 N ATOM 1539 CA LEU A 109 -8.086 -2.943 6.905 1.00 0.00 C ATOM 1540 C LEU A 109 -7.348 -3.185 8.217 1.00 0.00 C ATOM 1541 O LEU A 109 -6.756 -2.260 8.770 1.00 0.00 O ATOM 1542 CB LEU A 109 -9.622 -3.015 7.106 1.00 0.00 C ATOM 1543 CG LEU A 109 -10.482 -1.890 6.499 1.00 0.00 C ATOM 1544 CD1 LEU A 109 -9.885 -1.094 5.328 1.00 0.00 C ATOM 1545 CD2 LEU A 109 -11.883 -2.449 6.225 1.00 0.00 C ATOM 0 H LEU A 109 -8.432 -4.612 5.725 1.00 0.00 H new ATOM 0 HA LEU A 109 -7.830 -1.946 6.547 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -9.969 -3.962 6.692 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -9.818 -3.044 8.178 1.00 0.00 H new ATOM 0 HG LEU A 109 -10.527 -1.100 7.248 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -10.598 -0.337 5.002 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -8.963 -0.610 5.650 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -9.670 -1.770 4.501 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -12.509 -1.667 5.794 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -11.812 -3.283 5.527 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -12.326 -2.795 7.159 1.00 0.00 H new ATOM 1557 N ASN A 110 -7.328 -4.436 8.680 1.00 0.00 N ATOM 1558 CA ASN A 110 -6.639 -4.855 9.903 1.00 0.00 C ATOM 1559 C ASN A 110 -5.123 -4.690 9.822 1.00 0.00 C ATOM 1560 O ASN A 110 -4.434 -4.817 10.833 1.00 0.00 O ATOM 1561 CB ASN A 110 -6.959 -6.332 10.186 1.00 0.00 C ATOM 1562 CG ASN A 110 -7.234 -6.574 11.666 1.00 0.00 C ATOM 1563 OD1 ASN A 110 -8.252 -7.171 12.014 1.00 0.00 O ATOM 1564 ND2 ASN A 110 -6.368 -6.090 12.541 1.00 0.00 N ATOM 0 H ASN A 110 -7.801 -5.204 8.204 1.00 0.00 H new ATOM 0 HA ASN A 110 -6.997 -4.209 10.705 1.00 0.00 H new ATOM 0 HB2 ASN A 110 -7.826 -6.636 9.600 1.00 0.00 H new ATOM 0 HB3 ASN A 110 -6.124 -6.954 9.864 1.00 0.00 H new ATOM 0 HD21 ASN A 110 -6.534 -6.207 13.541 1.00 0.00 H new ATOM 0 HD22 ASN A 110 -5.534 -5.600 12.216 1.00 0.00 H new ATOM 1571 N ALA A 111 -4.605 -4.484 8.617 1.00 0.00 N ATOM 1572 CA ALA A 111 -3.211 -4.191 8.349 1.00 0.00 C ATOM 1573 C ALA A 111 -2.963 -2.677 8.246 1.00 0.00 C ATOM 1574 O ALA A 111 -1.874 -2.213 8.570 1.00 0.00 O ATOM 1575 CB ALA A 111 -2.845 -4.927 7.058 1.00 0.00 C ATOM 0 H ALA A 111 -5.171 -4.519 7.769 1.00 0.00 H new ATOM 0 HA ALA A 111 -2.577 -4.531 9.168 1.00 0.00 H new ATOM 0 HB1 ALA A 111 -1.800 -4.736 6.814 1.00 0.00 H new ATOM 0 HB2 ALA A 111 -2.996 -5.998 7.194 1.00 0.00 H new ATOM 0 HB3 ALA A 111 -3.478 -4.572 6.245 1.00 0.00 H new ATOM 1581 N LEU A 112 -3.948 -1.876 7.823 1.00 0.00 N ATOM 1582 CA LEU A 112 -3.795 -0.419 7.716 1.00 0.00 C ATOM 1583 C LEU A 112 -3.742 0.284 9.077 1.00 0.00 C ATOM 1584 O LEU A 112 -3.425 1.471 9.126 1.00 0.00 O ATOM 1585 CB LEU A 112 -4.886 0.190 6.815 1.00 0.00 C ATOM 1586 CG LEU A 112 -4.604 0.007 5.311 1.00 0.00 C ATOM 1587 CD1 LEU A 112 -5.751 0.559 4.460 1.00 0.00 C ATOM 1588 CD2 LEU A 112 -3.298 0.690 4.895 1.00 0.00 C ATOM 0 H LEU A 112 -4.869 -2.216 7.546 1.00 0.00 H new ATOM 0 HA LEU A 112 -2.826 -0.247 7.248 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -5.845 -0.268 7.057 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -4.977 1.254 7.034 1.00 0.00 H new ATOM 0 HG LEU A 112 -4.512 -1.065 5.139 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -5.522 0.415 3.404 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -6.673 0.033 4.707 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -5.875 1.623 4.663 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -3.132 0.540 3.828 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -3.363 1.758 5.105 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -2.468 0.260 5.455 1.00 0.00 H new ATOM 1600 N THR A 113 -4.012 -0.413 10.178 1.00 0.00 N ATOM 1601 CA THR A 113 -3.812 0.094 11.530 1.00 0.00 C ATOM 1602 C THR A 113 -2.345 -0.011 11.983 1.00 0.00 C ATOM 1603 O THR A 113 -1.993 0.558 13.023 1.00 0.00 O ATOM 1604 CB THR A 113 -4.747 -0.680 12.476 1.00 0.00 C ATOM 1605 OG1 THR A 113 -4.712 -2.065 12.181 1.00 0.00 O ATOM 1606 CG2 THR A 113 -6.190 -0.200 12.304 1.00 0.00 C ATOM 0 H THR A 113 -4.383 -1.363 10.153 1.00 0.00 H new ATOM 0 HA THR A 113 -4.053 1.157 11.551 1.00 0.00 H new ATOM 0 HB THR A 113 -4.408 -0.504 13.497 1.00 0.00 H new ATOM 0 HG1 THR A 113 -5.310 -2.545 12.791 1.00 0.00 H new ATOM 0 HG21 THR A 113 -6.841 -0.756 12.979 1.00 0.00 H new ATOM 0 HG22 THR A 113 -6.250 0.863 12.536 1.00 0.00 H new ATOM 0 HG23 THR A 113 -6.508 -0.366 11.275 1.00 0.00 H new ATOM 1614 N HIS A 114 -1.479 -0.705 11.234 1.00 0.00 N ATOM 1615 CA HIS A 114 -0.134 -1.091 11.644 1.00 0.00 C ATOM 1616 C HIS A 114 0.885 -0.536 10.656 1.00 0.00 C ATOM 1617 O HIS A 114 1.498 -1.273 9.891 1.00 0.00 O ATOM 1618 CB HIS A 114 -0.061 -2.621 11.795 1.00 0.00 C ATOM 1619 CG HIS A 114 -0.509 -3.064 13.156 1.00 0.00 C ATOM 1620 ND1 HIS A 114 0.220 -2.864 14.304 1.00 0.00 N ATOM 1621 CD2 HIS A 114 -1.676 -3.698 13.486 1.00 0.00 C ATOM 1622 CE1 HIS A 114 -0.483 -3.366 15.325 1.00 0.00 C ATOM 1623 NE2 HIS A 114 -1.642 -3.892 14.878 1.00 0.00 N ATOM 0 H HIS A 114 -1.710 -1.022 10.292 1.00 0.00 H new ATOM 0 HA HIS A 114 0.108 -0.664 12.617 1.00 0.00 H new ATOM 0 HB2 HIS A 114 -0.684 -3.092 11.035 1.00 0.00 H new ATOM 0 HB3 HIS A 114 0.962 -2.956 11.621 1.00 0.00 H new ATOM 0 HD2 HIS A 114 -2.466 -3.991 12.811 1.00 0.00 H new ATOM 0 HE1 HIS A 114 -0.168 -3.352 16.358 1.00 0.00 H new ATOM 0 HE2 HIS A 114 -2.359 -4.345 15.444 1.00 0.00 H new ATOM 1631 N ILE A 115 1.087 0.778 10.670 1.00 0.00 N ATOM 1632 CA ILE A 115 2.013 1.449 9.770 1.00 0.00 C ATOM 1633 C ILE A 115 3.278 1.801 10.559 1.00 0.00 C ATOM 1634 O ILE A 115 3.716 2.953 10.617 1.00 0.00 O ATOM 1635 CB ILE A 115 1.339 2.668 9.100 1.00 0.00 C ATOM 1636 CG1 ILE A 115 -0.133 2.483 8.657 1.00 0.00 C ATOM 1637 CG2 ILE A 115 2.197 3.094 7.903 1.00 0.00 C ATOM 1638 CD1 ILE A 115 -0.376 1.412 7.589 1.00 0.00 C ATOM 0 H ILE A 115 0.608 1.410 11.312 1.00 0.00 H new ATOM 0 HA ILE A 115 2.303 0.794 8.948 1.00 0.00 H new ATOM 0 HB ILE A 115 1.284 3.436 9.872 1.00 0.00 H new ATOM 0 HG12 ILE A 115 -0.729 2.236 9.535 1.00 0.00 H new ATOM 0 HG13 ILE A 115 -0.502 3.437 8.279 1.00 0.00 H new ATOM 0 HG21 ILE A 115 1.739 3.954 7.415 1.00 0.00 H new ATOM 0 HG22 ILE A 115 3.196 3.362 8.248 1.00 0.00 H new ATOM 0 HG23 ILE A 115 2.267 2.269 7.194 1.00 0.00 H new ATOM 0 HD11 ILE A 115 -1.439 1.367 7.354 1.00 0.00 H new ATOM 0 HD12 ILE A 115 0.184 1.663 6.688 1.00 0.00 H new ATOM 0 HD13 ILE A 115 -0.046 0.443 7.964 1.00 0.00 H new ATOM 1650 N ASP A 116 3.870 0.792 11.196 1.00 0.00 N ATOM 1651 CA ASP A 116 5.111 0.971 11.944 1.00 0.00 C ATOM 1652 C ASP A 116 6.251 1.408 11.021 1.00 0.00 C ATOM 1653 O ASP A 116 7.178 2.101 11.451 1.00 0.00 O ATOM 1654 CB ASP A 116 5.493 -0.320 12.687 1.00 0.00 C ATOM 1655 CG ASP A 116 5.626 -0.075 14.193 1.00 0.00 C ATOM 1656 OD1 ASP A 116 6.257 0.922 14.617 1.00 0.00 O ATOM 1657 OD2 ASP A 116 5.050 -0.866 14.973 1.00 0.00 O ATOM 0 H ASP A 116 3.508 -0.161 11.208 1.00 0.00 H new ATOM 0 HA ASP A 116 4.944 1.758 12.679 1.00 0.00 H new ATOM 0 HB2 ASP A 116 4.737 -1.084 12.506 1.00 0.00 H new ATOM 0 HB3 ASP A 116 6.435 -0.704 12.294 1.00 0.00 H new ATOM 1662 N ARG A 117 6.192 1.020 9.741 1.00 0.00 N ATOM 1663 CA ARG A 117 7.193 1.298 8.724 1.00 0.00 C ATOM 1664 C ARG A 117 6.518 1.611 7.388 1.00 0.00 C ATOM 1665 O ARG A 117 5.313 1.410 7.213 1.00 0.00 O ATOM 1666 CB ARG A 117 8.131 0.090 8.639 1.00 0.00 C ATOM 1667 CG ARG A 117 8.991 -0.022 9.899 1.00 0.00 C ATOM 1668 CD ARG A 117 10.009 -1.143 9.781 1.00 0.00 C ATOM 1669 NE ARG A 117 9.401 -2.471 9.934 1.00 0.00 N ATOM 1670 CZ ARG A 117 10.065 -3.593 10.237 1.00 0.00 C ATOM 1671 NH1 ARG A 117 11.394 -3.642 10.191 1.00 0.00 N ATOM 1672 NH2 ARG A 117 9.364 -4.666 10.578 1.00 0.00 N ATOM 0 H ARG A 117 5.407 0.480 9.378 1.00 0.00 H new ATOM 0 HA ARG A 117 7.781 2.178 8.985 1.00 0.00 H new ATOM 0 HB2 ARG A 117 7.547 -0.821 8.510 1.00 0.00 H new ATOM 0 HB3 ARG A 117 8.773 0.183 7.763 1.00 0.00 H new ATOM 0 HG2 ARG A 117 9.507 0.922 10.074 1.00 0.00 H new ATOM 0 HG3 ARG A 117 8.351 -0.200 10.763 1.00 0.00 H new ATOM 0 HD2 ARG A 117 10.502 -1.082 8.811 1.00 0.00 H new ATOM 0 HD3 ARG A 117 10.781 -1.010 10.539 1.00 0.00 H new ATOM 0 HE ARG A 117 8.393 -2.544 9.799 1.00 0.00 H new ATOM 0 HH11 ARG A 117 11.926 -2.815 9.921 1.00 0.00 H new ATOM 0 HH12 ARG A 117 11.881 -4.507 10.426 1.00 0.00 H new ATOM 0 HH21 ARG A 117 8.345 -4.622 10.604 1.00 0.00 H new ATOM 0 HH22 ARG A 117 9.844 -5.535 10.814 1.00 0.00 H new ATOM 1686 N THR A 118 7.277 2.156 6.441 1.00 0.00 N ATOM 1687 CA THR A 118 6.750 2.714 5.200 1.00 0.00 C ATOM 1688 C THR A 118 7.889 2.780 4.177 1.00 0.00 C ATOM 1689 O THR A 118 9.063 2.848 4.567 1.00 0.00 O ATOM 1690 CB THR A 118 6.190 4.115 5.521 1.00 0.00 C ATOM 1691 OG1 THR A 118 5.351 4.608 4.498 1.00 0.00 O ATOM 1692 CG2 THR A 118 7.305 5.135 5.782 1.00 0.00 C ATOM 0 H THR A 118 8.292 2.223 6.516 1.00 0.00 H new ATOM 0 HA THR A 118 5.952 2.102 4.779 1.00 0.00 H new ATOM 0 HB THR A 118 5.600 3.989 6.429 1.00 0.00 H new ATOM 0 HG1 THR A 118 4.673 5.198 4.887 1.00 0.00 H new ATOM 0 HG21 THR A 118 6.864 6.107 6.004 1.00 0.00 H new ATOM 0 HG22 THR A 118 7.907 4.807 6.630 1.00 0.00 H new ATOM 0 HG23 THR A 118 7.938 5.217 4.898 1.00 0.00 H new ATOM 1700 N GLY A 119 7.550 2.906 2.893 1.00 0.00 N ATOM 1701 CA GLY A 119 8.542 3.069 1.851 1.00 0.00 C ATOM 1702 C GLY A 119 7.985 3.706 0.583 1.00 0.00 C ATOM 1703 O GLY A 119 7.683 2.999 -0.372 1.00 0.00 O ATOM 0 H GLY A 119 6.587 2.897 2.557 1.00 0.00 H new ATOM 0 HA2 GLY A 119 9.359 3.684 2.229 1.00 0.00 H new ATOM 0 HA3 GLY A 119 8.964 2.095 1.605 1.00 0.00 H new ATOM 1707 N VAL A 120 7.887 5.032 0.499 1.00 0.00 N ATOM 1708 CA VAL A 120 7.551 5.717 -0.751 1.00 0.00 C ATOM 1709 C VAL A 120 8.807 6.091 -1.553 1.00 0.00 C ATOM 1710 O VAL A 120 9.459 7.115 -1.353 1.00 0.00 O ATOM 1711 CB VAL A 120 6.549 6.845 -0.522 1.00 0.00 C ATOM 1712 CG1 VAL A 120 6.972 7.744 0.643 1.00 0.00 C ATOM 1713 CG2 VAL A 120 6.350 7.586 -1.852 1.00 0.00 C ATOM 0 H VAL A 120 8.037 5.659 1.289 1.00 0.00 H new ATOM 0 HA VAL A 120 7.023 5.021 -1.402 1.00 0.00 H new ATOM 0 HB VAL A 120 5.582 6.447 -0.215 1.00 0.00 H new ATOM 0 HG11 VAL A 120 6.235 8.536 0.777 1.00 0.00 H new ATOM 0 HG12 VAL A 120 7.037 7.151 1.555 1.00 0.00 H new ATOM 0 HG13 VAL A 120 7.945 8.186 0.427 1.00 0.00 H new ATOM 0 HG21 VAL A 120 5.636 8.398 -1.713 1.00 0.00 H new ATOM 0 HG22 VAL A 120 7.303 7.994 -2.187 1.00 0.00 H new ATOM 0 HG23 VAL A 120 5.969 6.892 -2.601 1.00 0.00 H new ATOM 1723 N GLN A 121 9.137 5.243 -2.516 1.00 0.00 N ATOM 1724 CA GLN A 121 10.177 5.481 -3.500 1.00 0.00 C ATOM 1725 C GLN A 121 9.585 6.321 -4.642 1.00 0.00 C ATOM 1726 O GLN A 121 8.881 5.799 -5.507 1.00 0.00 O ATOM 1727 CB GLN A 121 10.729 4.128 -3.978 1.00 0.00 C ATOM 1728 CG GLN A 121 9.722 2.979 -4.122 1.00 0.00 C ATOM 1729 CD GLN A 121 10.047 2.034 -5.268 1.00 0.00 C ATOM 1730 OE1 GLN A 121 10.344 0.856 -5.099 1.00 0.00 O ATOM 1731 NE2 GLN A 121 9.916 2.554 -6.470 1.00 0.00 N ATOM 0 H GLN A 121 8.672 4.343 -2.636 1.00 0.00 H new ATOM 0 HA GLN A 121 11.012 6.040 -3.077 1.00 0.00 H new ATOM 0 HB2 GLN A 121 11.210 4.280 -4.944 1.00 0.00 H new ATOM 0 HB3 GLN A 121 11.506 3.813 -3.281 1.00 0.00 H new ATOM 0 HG2 GLN A 121 9.692 2.413 -3.191 1.00 0.00 H new ATOM 0 HG3 GLN A 121 8.726 3.395 -4.275 1.00 0.00 H new ATOM 0 HE21 GLN A 121 9.668 3.538 -6.576 1.00 0.00 H new ATOM 0 HE22 GLN A 121 10.062 1.973 -7.296 1.00 0.00 H new ATOM 1740 N MET A 122 9.803 7.639 -4.636 1.00 0.00 N ATOM 1741 CA MET A 122 9.321 8.582 -5.644 1.00 0.00 C ATOM 1742 C MET A 122 10.243 8.734 -6.864 1.00 0.00 C ATOM 1743 O MET A 122 10.263 9.809 -7.476 1.00 0.00 O ATOM 1744 CB MET A 122 9.079 9.956 -4.998 1.00 0.00 C ATOM 1745 CG MET A 122 8.208 9.892 -3.768 1.00 0.00 C ATOM 1746 SD MET A 122 7.319 11.443 -3.508 1.00 0.00 S ATOM 1747 CE MET A 122 5.677 10.714 -3.467 1.00 0.00 C ATOM 0 H MET A 122 10.341 8.094 -3.899 1.00 0.00 H new ATOM 0 HA MET A 122 8.390 8.163 -6.025 1.00 0.00 H new ATOM 0 HB2 MET A 122 10.039 10.399 -4.732 1.00 0.00 H new ATOM 0 HB3 MET A 122 8.614 10.617 -5.730 1.00 0.00 H new ATOM 0 HG2 MET A 122 7.494 9.074 -3.868 1.00 0.00 H new ATOM 0 HG3 MET A 122 8.824 9.673 -2.895 1.00 0.00 H new ATOM 0 HE1 MET A 122 4.972 11.376 -3.970 1.00 0.00 H new ATOM 0 HE2 MET A 122 5.694 9.750 -3.975 1.00 0.00 H new ATOM 0 HE3 MET A 122 5.367 10.573 -2.431 1.00 0.00 H new ATOM 1757 N ARG A 123 10.989 7.714 -7.276 1.00 0.00 N ATOM 1758 CA ARG A 123 12.089 7.826 -8.231 1.00 0.00 C ATOM 1759 C ARG A 123 11.834 6.940 -9.459 1.00 0.00 C ATOM 1760 O ARG A 123 12.208 5.769 -9.487 1.00 0.00 O ATOM 1761 CB ARG A 123 13.364 7.507 -7.437 1.00 0.00 C ATOM 1762 CG ARG A 123 14.621 7.446 -8.309 1.00 0.00 C ATOM 1763 CD ARG A 123 15.161 6.012 -8.405 1.00 0.00 C ATOM 1764 NE ARG A 123 15.963 5.852 -9.619 1.00 0.00 N ATOM 1765 CZ ARG A 123 17.228 6.231 -9.788 1.00 0.00 C ATOM 1766 NH1 ARG A 123 17.971 6.670 -8.781 1.00 0.00 N ATOM 1767 NH2 ARG A 123 17.745 6.170 -11.003 1.00 0.00 N ATOM 0 H ARG A 123 10.842 6.760 -6.946 1.00 0.00 H new ATOM 0 HA ARG A 123 12.192 8.823 -8.660 1.00 0.00 H new ATOM 0 HB2 ARG A 123 13.502 8.264 -6.665 1.00 0.00 H new ATOM 0 HB3 ARG A 123 13.237 6.552 -6.927 1.00 0.00 H new ATOM 0 HG2 ARG A 123 14.393 7.819 -9.307 1.00 0.00 H new ATOM 0 HG3 ARG A 123 15.388 8.099 -7.892 1.00 0.00 H new ATOM 0 HD2 ARG A 123 15.767 5.785 -7.528 1.00 0.00 H new ATOM 0 HD3 ARG A 123 14.332 5.304 -8.412 1.00 0.00 H new ATOM 0 HE ARG A 123 15.507 5.406 -10.415 1.00 0.00 H new ATOM 0 HH11 ARG A 123 17.576 6.725 -7.842 1.00 0.00 H new ATOM 0 HH12 ARG A 123 18.937 6.953 -8.945 1.00 0.00 H new ATOM 0 HH21 ARG A 123 17.177 5.839 -11.783 1.00 0.00 H new ATOM 0 HH22 ARG A 123 18.712 6.454 -11.161 1.00 0.00 H new ATOM 1781 N ALA A 124 11.171 7.509 -10.471 1.00 0.00 N ATOM 1782 CA ALA A 124 10.564 6.820 -11.607 1.00 0.00 C ATOM 1783 C ALA A 124 11.392 5.617 -12.080 1.00 0.00 C ATOM 1784 O ALA A 124 12.549 5.825 -12.464 1.00 0.00 O ATOM 1785 CB ALA A 124 10.310 7.792 -12.757 1.00 0.00 C ATOM 0 H ALA A 124 11.038 8.519 -10.519 1.00 0.00 H new ATOM 0 HA ALA A 124 9.608 6.426 -11.263 1.00 0.00 H new ATOM 0 HB1 ALA A 124 9.858 7.257 -13.592 1.00 0.00 H new ATOM 0 HB2 ALA A 124 9.636 8.582 -12.424 1.00 0.00 H new ATOM 0 HB3 ALA A 124 11.255 8.232 -13.077 1.00 0.00 H new ATOM 1791 N PRO A 125 10.849 4.388 -12.079 1.00 0.00 N ATOM 1792 CA PRO A 125 9.486 4.034 -11.699 1.00 0.00 C ATOM 1793 C PRO A 125 9.253 4.211 -10.200 1.00 0.00 C ATOM 1794 O PRO A 125 10.022 3.718 -9.378 1.00 0.00 O ATOM 1795 CB PRO A 125 9.292 2.582 -12.125 1.00 0.00 C ATOM 1796 CG PRO A 125 10.707 2.014 -12.170 1.00 0.00 C ATOM 1797 CD PRO A 125 11.551 3.218 -12.566 1.00 0.00 C ATOM 0 HA PRO A 125 8.763 4.689 -12.186 1.00 0.00 H new ATOM 0 HB2 PRO A 125 8.667 2.039 -11.416 1.00 0.00 H new ATOM 0 HB3 PRO A 125 8.804 2.514 -13.097 1.00 0.00 H new ATOM 0 HG2 PRO A 125 11.010 1.610 -11.204 1.00 0.00 H new ATOM 0 HG3 PRO A 125 10.794 1.205 -12.895 1.00 0.00 H new ATOM 0 HD2 PRO A 125 12.548 3.154 -12.130 1.00 0.00 H new ATOM 0 HD3 PRO A 125 11.679 3.264 -13.648 1.00 0.00 H new ATOM 1805 N GLN A 126 8.210 4.966 -9.860 1.00 0.00 N ATOM 1806 CA GLN A 126 7.824 5.252 -8.486 1.00 0.00 C ATOM 1807 C GLN A 126 6.967 4.083 -7.975 1.00 0.00 C ATOM 1808 O GLN A 126 6.169 3.535 -8.749 1.00 0.00 O ATOM 1809 CB GLN A 126 7.032 6.581 -8.444 1.00 0.00 C ATOM 1810 CG GLN A 126 7.684 7.752 -9.209 1.00 0.00 C ATOM 1811 CD GLN A 126 6.936 9.078 -9.030 1.00 0.00 C ATOM 1812 OE1 GLN A 126 5.950 9.347 -9.701 1.00 0.00 O ATOM 1813 NE2 GLN A 126 7.378 9.942 -8.133 1.00 0.00 N ATOM 0 H GLN A 126 7.599 5.404 -10.549 1.00 0.00 H new ATOM 0 HA GLN A 126 8.701 5.359 -7.848 1.00 0.00 H new ATOM 0 HB2 GLN A 126 6.037 6.407 -8.855 1.00 0.00 H new ATOM 0 HB3 GLN A 126 6.900 6.875 -7.403 1.00 0.00 H new ATOM 0 HG2 GLN A 126 8.712 7.873 -8.868 1.00 0.00 H new ATOM 0 HG3 GLN A 126 7.727 7.506 -10.270 1.00 0.00 H new ATOM 0 HE21 GLN A 126 8.200 9.719 -7.572 1.00 0.00 H new ATOM 0 HE22 GLN A 126 6.897 10.832 -8.001 1.00 0.00 H new ATOM 1822 N GLN A 127 7.079 3.732 -6.689 1.00 0.00 N ATOM 1823 CA GLN A 127 6.118 2.859 -6.011 1.00 0.00 C ATOM 1824 C GLN A 127 5.895 3.399 -4.601 1.00 0.00 C ATOM 1825 O GLN A 127 6.509 4.390 -4.189 1.00 0.00 O ATOM 1826 CB GLN A 127 6.602 1.394 -5.943 1.00 0.00 C ATOM 1827 CG GLN A 127 6.705 0.687 -7.296 1.00 0.00 C ATOM 1828 CD GLN A 127 7.150 -0.770 -7.147 1.00 0.00 C ATOM 1829 OE1 GLN A 127 7.914 -1.143 -6.260 1.00 0.00 O ATOM 1830 NE2 GLN A 127 6.734 -1.635 -8.056 1.00 0.00 N ATOM 0 H GLN A 127 7.841 4.047 -6.089 1.00 0.00 H new ATOM 0 HA GLN A 127 5.189 2.858 -6.581 1.00 0.00 H new ATOM 0 HB2 GLN A 127 7.580 1.372 -5.462 1.00 0.00 H new ATOM 0 HB3 GLN A 127 5.920 0.831 -5.306 1.00 0.00 H new ATOM 0 HG2 GLN A 127 5.738 0.722 -7.798 1.00 0.00 H new ATOM 0 HG3 GLN A 127 7.413 1.220 -7.931 1.00 0.00 H new ATOM 0 HE21 GLN A 127 6.100 -1.332 -8.795 1.00 0.00 H new ATOM 0 HE22 GLN A 127 7.047 -2.605 -8.018 1.00 0.00 H new ATOM 1839 N MET A 128 5.040 2.729 -3.842 1.00 0.00 N ATOM 1840 CA MET A 128 4.983 2.880 -2.408 1.00 0.00 C ATOM 1841 C MET A 128 4.942 1.489 -1.795 1.00 0.00 C ATOM 1842 O MET A 128 4.407 0.548 -2.381 1.00 0.00 O ATOM 1843 CB MET A 128 3.782 3.757 -2.043 1.00 0.00 C ATOM 1844 CG MET A 128 3.702 4.105 -0.555 1.00 0.00 C ATOM 1845 SD MET A 128 2.401 3.277 0.388 1.00 0.00 S ATOM 1846 CE MET A 128 1.000 3.838 -0.611 1.00 0.00 C ATOM 0 H MET A 128 4.364 2.062 -4.214 1.00 0.00 H new ATOM 0 HA MET A 128 5.860 3.388 -2.008 1.00 0.00 H new ATOM 0 HB2 MET A 128 3.829 4.680 -2.621 1.00 0.00 H new ATOM 0 HB3 MET A 128 2.866 3.244 -2.336 1.00 0.00 H new ATOM 0 HG2 MET A 128 4.662 3.869 -0.096 1.00 0.00 H new ATOM 0 HG3 MET A 128 3.561 5.182 -0.462 1.00 0.00 H new ATOM 0 HE1 MET A 128 0.102 3.868 0.006 1.00 0.00 H new ATOM 0 HE2 MET A 128 1.207 4.835 -1.000 1.00 0.00 H new ATOM 0 HE3 MET A 128 0.846 3.149 -1.441 1.00 0.00 H new ATOM 1856 N GLN A 129 5.531 1.363 -0.616 1.00 0.00 N ATOM 1857 CA GLN A 129 5.469 0.214 0.248 1.00 0.00 C ATOM 1858 C GLN A 129 4.836 0.644 1.553 1.00 0.00 C ATOM 1859 O GLN A 129 5.010 1.773 2.026 1.00 0.00 O ATOM 1860 CB GLN A 129 6.868 -0.349 0.541 1.00 0.00 C ATOM 1861 CG GLN A 129 7.478 -1.118 -0.631 1.00 0.00 C ATOM 1862 CD GLN A 129 8.865 -1.677 -0.300 1.00 0.00 C ATOM 1863 OE1 GLN A 129 9.455 -1.396 0.744 1.00 0.00 O ATOM 1864 NE2 GLN A 129 9.416 -2.510 -1.164 1.00 0.00 N ATOM 0 H GLN A 129 6.099 2.112 -0.220 1.00 0.00 H new ATOM 0 HA GLN A 129 4.887 -0.565 -0.245 1.00 0.00 H new ATOM 0 HB2 GLN A 129 7.532 0.473 0.810 1.00 0.00 H new ATOM 0 HB3 GLN A 129 6.811 -1.009 1.407 1.00 0.00 H new ATOM 0 HG2 GLN A 129 6.815 -1.937 -0.909 1.00 0.00 H new ATOM 0 HG3 GLN A 129 7.551 -0.459 -1.496 1.00 0.00 H new ATOM 0 HE21 GLN A 129 8.929 -2.744 -2.029 1.00 0.00 H new ATOM 0 HE22 GLN A 129 10.329 -2.920 -0.966 1.00 0.00 H new ATOM 1873 N LEU A 130 4.182 -0.327 2.168 1.00 0.00 N ATOM 1874 CA LEU A 130 3.915 -0.376 3.587 1.00 0.00 C ATOM 1875 C LEU A 130 4.692 -1.567 4.139 1.00 0.00 C ATOM 1876 O LEU A 130 4.934 -2.530 3.408 1.00 0.00 O ATOM 1877 CB LEU A 130 2.415 -0.575 3.806 1.00 0.00 C ATOM 1878 CG LEU A 130 1.513 0.575 3.322 1.00 0.00 C ATOM 1879 CD1 LEU A 130 0.054 0.197 3.592 1.00 0.00 C ATOM 1880 CD2 LEU A 130 1.843 1.912 3.993 1.00 0.00 C ATOM 0 H LEU A 130 3.809 -1.134 1.667 1.00 0.00 H new ATOM 0 HA LEU A 130 4.216 0.544 4.088 1.00 0.00 H new ATOM 0 HB2 LEU A 130 2.110 -1.490 3.298 1.00 0.00 H new ATOM 0 HB3 LEU A 130 2.239 -0.728 4.871 1.00 0.00 H new ATOM 0 HG LEU A 130 1.687 0.714 2.255 1.00 0.00 H new ATOM 0 HD11 LEU A 130 -0.599 1.002 3.255 1.00 0.00 H new ATOM 0 HD12 LEU A 130 -0.190 -0.718 3.053 1.00 0.00 H new ATOM 0 HD13 LEU A 130 -0.089 0.038 4.661 1.00 0.00 H new ATOM 0 HD21 LEU A 130 1.175 2.685 3.612 1.00 0.00 H new ATOM 0 HD22 LEU A 130 1.714 1.820 5.071 1.00 0.00 H new ATOM 0 HD23 LEU A 130 2.875 2.184 3.773 1.00 0.00 H new ATOM 1892 N VAL A 131 5.050 -1.513 5.419 1.00 0.00 N ATOM 1893 CA VAL A 131 5.666 -2.610 6.149 1.00 0.00 C ATOM 1894 C VAL A 131 5.032 -2.580 7.531 1.00 0.00 C ATOM 1895 O VAL A 131 5.126 -1.573 8.238 1.00 0.00 O ATOM 1896 CB VAL A 131 7.197 -2.445 6.200 1.00 0.00 C ATOM 1897 CG1 VAL A 131 7.859 -3.392 7.217 1.00 0.00 C ATOM 1898 CG2 VAL A 131 7.845 -2.695 4.842 1.00 0.00 C ATOM 0 H VAL A 131 4.914 -0.679 5.991 1.00 0.00 H new ATOM 0 HA VAL A 131 5.498 -3.574 5.668 1.00 0.00 H new ATOM 0 HB VAL A 131 7.359 -1.412 6.506 1.00 0.00 H new ATOM 0 HG11 VAL A 131 8.938 -3.234 7.212 1.00 0.00 H new ATOM 0 HG12 VAL A 131 7.467 -3.188 8.213 1.00 0.00 H new ATOM 0 HG13 VAL A 131 7.642 -4.425 6.946 1.00 0.00 H new ATOM 0 HG21 VAL A 131 8.924 -2.568 4.925 1.00 0.00 H new ATOM 0 HG22 VAL A 131 7.623 -3.711 4.515 1.00 0.00 H new ATOM 0 HG23 VAL A 131 7.451 -1.985 4.115 1.00 0.00 H new ATOM 1908 N LEU A 132 4.354 -3.664 7.894 1.00 0.00 N ATOM 1909 CA LEU A 132 3.727 -3.760 9.207 1.00 0.00 C ATOM 1910 C LEU A 132 4.770 -4.039 10.292 1.00 0.00 C ATOM 1911 O LEU A 132 5.908 -4.444 10.026 1.00 0.00 O ATOM 1912 CB LEU A 132 2.673 -4.888 9.241 1.00 0.00 C ATOM 1913 CG LEU A 132 1.636 -4.907 8.112 1.00 0.00 C ATOM 1914 CD1 LEU A 132 0.663 -6.078 8.293 1.00 0.00 C ATOM 1915 CD2 LEU A 132 0.867 -3.612 7.990 1.00 0.00 C ATOM 0 H LEU A 132 4.225 -4.484 7.301 1.00 0.00 H new ATOM 0 HA LEU A 132 3.242 -2.803 9.399 1.00 0.00 H new ATOM 0 HB2 LEU A 132 3.199 -5.843 9.234 1.00 0.00 H new ATOM 0 HB3 LEU A 132 2.140 -4.825 10.190 1.00 0.00 H new ATOM 0 HG LEU A 132 2.196 -5.034 7.185 1.00 0.00 H new ATOM 0 HD11 LEU A 132 -0.065 -6.075 7.482 1.00 0.00 H new ATOM 0 HD12 LEU A 132 1.217 -7.017 8.279 1.00 0.00 H new ATOM 0 HD13 LEU A 132 0.145 -5.976 9.247 1.00 0.00 H new ATOM 0 HD21 LEU A 132 0.150 -3.690 7.173 1.00 0.00 H new ATOM 0 HD22 LEU A 132 0.336 -3.415 8.921 1.00 0.00 H new ATOM 0 HD23 LEU A 132 1.560 -2.795 7.787 1.00 0.00 H new ATOM 1927 N ASP A 133 4.300 -4.010 11.536 1.00 0.00 N ATOM 1928 CA ASP A 133 4.926 -4.653 12.690 1.00 0.00 C ATOM 1929 C ASP A 133 5.118 -6.163 12.514 1.00 0.00 C ATOM 1930 O ASP A 133 5.944 -6.759 13.196 1.00 0.00 O ATOM 1931 CB ASP A 133 4.075 -4.440 13.947 1.00 0.00 C ATOM 1932 CG ASP A 133 2.750 -5.210 13.990 1.00 0.00 C ATOM 1933 OD1 ASP A 133 2.148 -5.458 12.922 1.00 0.00 O ATOM 1934 OD2 ASP A 133 2.322 -5.551 15.119 1.00 0.00 O ATOM 0 H ASP A 133 3.439 -3.519 11.778 1.00 0.00 H new ATOM 0 HA ASP A 133 5.907 -4.188 12.786 1.00 0.00 H new ATOM 0 HB2 ASP A 133 4.667 -4.723 14.817 1.00 0.00 H new ATOM 0 HB3 ASP A 133 3.859 -3.376 14.041 1.00 0.00 H new ATOM 1939 N ASN A 134 4.417 -6.787 11.567 1.00 0.00 N ATOM 1940 CA ASN A 134 4.534 -8.204 11.240 1.00 0.00 C ATOM 1941 C ASN A 134 5.772 -8.443 10.390 1.00 0.00 C ATOM 1942 O ASN A 134 6.009 -9.585 9.992 1.00 0.00 O ATOM 1943 CB ASN A 134 3.305 -8.712 10.467 1.00 0.00 C ATOM 1944 CG ASN A 134 2.029 -8.524 11.257 1.00 0.00 C ATOM 1945 OD1 ASN A 134 1.398 -7.380 11.084 1.00 0.00 O flip ATOM 1946 ND2 ASN A 134 1.610 -9.397 12.010 1.00 0.00 N flip ATOM 0 H ASN A 134 3.730 -6.302 10.989 1.00 0.00 H new ATOM 0 HA ASN A 134 4.607 -8.748 12.182 1.00 0.00 H new ATOM 0 HB2 ASN A 134 3.227 -8.181 9.518 1.00 0.00 H new ATOM 0 HB3 ASN A 134 3.435 -9.768 10.231 1.00 0.00 H new ATOM 0 HD21 ASN A 134 2.127 -10.270 12.117 1.00 0.00 H new ATOM 0 HD22 ASN A 134 0.744 -9.250 12.529 1.00 0.00 H new ATOM 1953 N GLY A 135 6.505 -7.380 10.039 1.00 0.00 N ATOM 1954 CA GLY A 135 7.689 -7.450 9.215 1.00 0.00 C ATOM 1955 C GLY A 135 7.365 -7.718 7.755 1.00 0.00 C ATOM 1956 O GLY A 135 8.238 -8.175 7.018 1.00 0.00 O ATOM 0 H GLY A 135 6.275 -6.431 10.334 1.00 0.00 H new ATOM 0 HA2 GLY A 135 8.240 -6.513 9.296 1.00 0.00 H new ATOM 0 HA3 GLY A 135 8.343 -8.238 9.590 1.00 0.00 H new ATOM 1960 N ASP A 136 6.109 -7.510 7.354 1.00 0.00 N ATOM 1961 CA ASP A 136 5.628 -7.796 6.004 1.00 0.00 C ATOM 1962 C ASP A 136 6.236 -6.838 4.950 1.00 0.00 C ATOM 1963 O ASP A 136 7.173 -6.091 5.241 1.00 0.00 O ATOM 1964 CB ASP A 136 4.096 -7.862 6.065 1.00 0.00 C ATOM 1965 CG ASP A 136 3.315 -6.645 5.610 1.00 0.00 C ATOM 1966 OD1 ASP A 136 3.863 -5.523 5.596 1.00 0.00 O ATOM 1967 OD2 ASP A 136 2.101 -6.873 5.420 1.00 0.00 O ATOM 0 H ASP A 136 5.388 -7.132 7.969 1.00 0.00 H new ATOM 0 HA ASP A 136 5.976 -8.766 5.648 1.00 0.00 H new ATOM 0 HB2 ASP A 136 3.774 -8.711 5.462 1.00 0.00 H new ATOM 0 HB3 ASP A 136 3.811 -8.076 7.095 1.00 0.00 H new ATOM 1972 N THR A 137 5.800 -6.874 3.688 1.00 0.00 N ATOM 1973 CA THR A 137 5.978 -5.770 2.747 1.00 0.00 C ATOM 1974 C THR A 137 4.796 -5.772 1.781 1.00 0.00 C ATOM 1975 O THR A 137 4.544 -6.791 1.139 1.00 0.00 O ATOM 1976 CB THR A 137 7.304 -5.909 1.973 1.00 0.00 C ATOM 1977 OG1 THR A 137 8.394 -6.068 2.863 1.00 0.00 O ATOM 1978 CG2 THR A 137 7.571 -4.663 1.128 1.00 0.00 C ATOM 0 H THR A 137 5.311 -7.676 3.290 1.00 0.00 H new ATOM 0 HA THR A 137 6.018 -4.828 3.293 1.00 0.00 H new ATOM 0 HB THR A 137 7.211 -6.787 1.333 1.00 0.00 H new ATOM 0 HG1 THR A 137 8.124 -5.791 3.764 1.00 0.00 H new ATOM 0 HG21 THR A 137 8.512 -4.783 0.590 1.00 0.00 H new ATOM 0 HG22 THR A 137 6.759 -4.527 0.413 1.00 0.00 H new ATOM 0 HG23 THR A 137 7.633 -3.790 1.777 1.00 0.00 H new ATOM 1986 N LEU A 138 4.082 -4.658 1.639 1.00 0.00 N ATOM 1987 CA LEU A 138 3.057 -4.465 0.610 1.00 0.00 C ATOM 1988 C LEU A 138 3.616 -3.539 -0.460 1.00 0.00 C ATOM 1989 O LEU A 138 4.576 -2.815 -0.204 1.00 0.00 O ATOM 1990 CB LEU A 138 1.760 -3.921 1.243 1.00 0.00 C ATOM 1991 CG LEU A 138 0.817 -5.063 1.660 1.00 0.00 C ATOM 1992 CD1 LEU A 138 -0.138 -5.452 0.576 1.00 0.00 C ATOM 1993 CD2 LEU A 138 1.497 -6.106 2.523 1.00 0.00 C ATOM 0 H LEU A 138 4.200 -3.847 2.246 1.00 0.00 H new ATOM 0 HA LEU A 138 2.798 -5.414 0.141 1.00 0.00 H new ATOM 0 HB2 LEU A 138 2.005 -3.313 2.114 1.00 0.00 H new ATOM 0 HB3 LEU A 138 1.252 -3.269 0.532 1.00 0.00 H new ATOM 0 HG LEU A 138 0.090 -4.709 2.391 1.00 0.00 H new ATOM 0 HD11 LEU A 138 -0.777 -6.262 0.928 1.00 0.00 H new ATOM 0 HD12 LEU A 138 -0.754 -4.593 0.308 1.00 0.00 H new ATOM 0 HD13 LEU A 138 0.421 -5.785 -0.299 1.00 0.00 H new ATOM 0 HD21 LEU A 138 0.781 -6.885 2.785 1.00 0.00 H new ATOM 0 HD22 LEU A 138 2.328 -6.547 1.973 1.00 0.00 H new ATOM 0 HD23 LEU A 138 1.872 -5.637 3.433 1.00 0.00 H new ATOM 2005 N THR A 139 3.007 -3.547 -1.641 1.00 0.00 N ATOM 2006 CA THR A 139 3.562 -2.901 -2.840 1.00 0.00 C ATOM 2007 C THR A 139 2.445 -2.274 -3.677 1.00 0.00 C ATOM 2008 O THR A 139 1.508 -2.968 -4.088 1.00 0.00 O ATOM 2009 CB THR A 139 4.369 -3.905 -3.693 1.00 0.00 C ATOM 2010 OG1 THR A 139 5.386 -4.563 -2.948 1.00 0.00 O ATOM 2011 CG2 THR A 139 5.047 -3.217 -4.887 1.00 0.00 C ATOM 0 H THR A 139 2.109 -4.003 -1.801 1.00 0.00 H new ATOM 0 HA THR A 139 4.240 -2.114 -2.511 1.00 0.00 H new ATOM 0 HB THR A 139 3.638 -4.637 -4.037 1.00 0.00 H new ATOM 0 HG1 THR A 139 5.866 -5.188 -3.531 1.00 0.00 H new ATOM 0 HG21 THR A 139 5.605 -3.955 -5.463 1.00 0.00 H new ATOM 0 HG22 THR A 139 4.288 -2.759 -5.522 1.00 0.00 H new ATOM 0 HG23 THR A 139 5.729 -2.448 -4.525 1.00 0.00 H new ATOM 2019 N PHE A 140 2.566 -0.968 -3.926 1.00 0.00 N ATOM 2020 CA PHE A 140 1.573 -0.116 -4.566 1.00 0.00 C ATOM 2021 C PHE A 140 2.175 0.622 -5.766 1.00 0.00 C ATOM 2022 O PHE A 140 3.311 1.100 -5.654 1.00 0.00 O ATOM 2023 CB PHE A 140 1.135 0.954 -3.551 1.00 0.00 C ATOM 2024 CG PHE A 140 0.426 0.481 -2.301 1.00 0.00 C ATOM 2025 CD1 PHE A 140 1.165 -0.064 -1.233 1.00 0.00 C ATOM 2026 CD2 PHE A 140 -0.965 0.649 -2.174 1.00 0.00 C ATOM 2027 CE1 PHE A 140 0.513 -0.468 -0.059 1.00 0.00 C ATOM 2028 CE2 PHE A 140 -1.613 0.254 -0.993 1.00 0.00 C ATOM 2029 CZ PHE A 140 -0.876 -0.309 0.062 1.00 0.00 C ATOM 0 H PHE A 140 3.408 -0.452 -3.670 1.00 0.00 H new ATOM 0 HA PHE A 140 0.742 -0.739 -4.898 1.00 0.00 H new ATOM 0 HB2 PHE A 140 2.021 1.510 -3.245 1.00 0.00 H new ATOM 0 HB3 PHE A 140 0.479 1.657 -4.065 1.00 0.00 H new ATOM 0 HD1 PHE A 140 2.236 -0.171 -1.318 1.00 0.00 H new ATOM 0 HD2 PHE A 140 -1.534 1.081 -2.984 1.00 0.00 H new ATOM 0 HE1 PHE A 140 1.080 -0.901 0.752 1.00 0.00 H new ATOM 0 HE2 PHE A 140 -2.681 0.383 -0.895 1.00 0.00 H new ATOM 0 HZ PHE A 140 -1.378 -0.619 0.966 1.00 0.00 H new ATOM 2039 N ASP A 141 1.423 0.833 -6.863 1.00 0.00 N ATOM 2040 CA ASP A 141 1.951 1.616 -7.978 1.00 0.00 C ATOM 2041 C ASP A 141 1.813 3.083 -7.651 1.00 0.00 C ATOM 2042 O ASP A 141 0.963 3.423 -6.838 1.00 0.00 O ATOM 2043 CB ASP A 141 1.153 1.403 -9.281 1.00 0.00 C ATOM 2044 CG ASP A 141 2.144 1.284 -10.456 1.00 0.00 C ATOM 2045 OD1 ASP A 141 3.181 0.579 -10.320 1.00 0.00 O ATOM 2046 OD2 ASP A 141 2.019 2.081 -11.416 1.00 0.00 O ATOM 0 H ASP A 141 0.475 0.480 -6.993 1.00 0.00 H new ATOM 0 HA ASP A 141 2.984 1.299 -8.122 1.00 0.00 H new ATOM 0 HB2 ASP A 141 0.544 0.502 -9.208 1.00 0.00 H new ATOM 0 HB3 ASP A 141 0.470 2.236 -9.446 1.00 0.00 H new ATOM 2051 N ARG A 142 2.489 3.984 -8.366 1.00 0.00 N ATOM 2052 CA ARG A 142 2.053 5.374 -8.458 1.00 0.00 C ATOM 2053 C ARG A 142 1.066 5.479 -9.622 1.00 0.00 C ATOM 2054 O ARG A 142 1.482 5.645 -10.767 1.00 0.00 O ATOM 2055 CB ARG A 142 3.285 6.264 -8.646 1.00 0.00 C ATOM 2056 CG ARG A 142 2.974 7.727 -8.968 1.00 0.00 C ATOM 2057 CD ARG A 142 2.479 8.583 -7.800 1.00 0.00 C ATOM 2058 NE ARG A 142 2.752 9.993 -8.115 1.00 0.00 N ATOM 2059 CZ ARG A 142 3.614 10.837 -7.541 1.00 0.00 C ATOM 2060 NH1 ARG A 142 4.292 10.501 -6.450 1.00 0.00 N ATOM 2061 NH2 ARG A 142 3.779 12.036 -8.073 1.00 0.00 N ATOM 0 H ARG A 142 3.339 3.774 -8.889 1.00 0.00 H new ATOM 0 HA ARG A 142 1.547 5.708 -7.552 1.00 0.00 H new ATOM 0 HB2 ARG A 142 3.886 6.226 -7.737 1.00 0.00 H new ATOM 0 HB3 ARG A 142 3.895 5.851 -9.449 1.00 0.00 H new ATOM 0 HG2 ARG A 142 3.875 8.188 -9.374 1.00 0.00 H new ATOM 0 HG3 ARG A 142 2.221 7.752 -9.755 1.00 0.00 H new ATOM 0 HD2 ARG A 142 1.412 8.429 -7.641 1.00 0.00 H new ATOM 0 HD3 ARG A 142 2.983 8.295 -6.877 1.00 0.00 H new ATOM 0 HE ARG A 142 2.204 10.383 -8.882 1.00 0.00 H new ATOM 0 HH11 ARG A 142 4.160 9.580 -6.031 1.00 0.00 H new ATOM 0 HH12 ARG A 142 4.944 11.164 -6.031 1.00 0.00 H new ATOM 0 HH21 ARG A 142 3.253 12.301 -8.906 1.00 0.00 H new ATOM 0 HH22 ARG A 142 4.432 12.696 -7.651 1.00 0.00 H new ATOM 2075 N SER A 143 -0.242 5.450 -9.365 1.00 0.00 N ATOM 2076 CA SER A 143 -1.245 5.595 -10.417 1.00 0.00 C ATOM 2077 C SER A 143 -1.926 6.951 -10.255 1.00 0.00 C ATOM 2078 O SER A 143 -3.139 7.044 -10.175 1.00 0.00 O ATOM 2079 CB SER A 143 -2.176 4.382 -10.389 1.00 0.00 C ATOM 2080 OG SER A 143 -3.082 4.381 -11.471 1.00 0.00 O ATOM 0 H SER A 143 -0.632 5.327 -8.431 1.00 0.00 H new ATOM 0 HA SER A 143 -0.809 5.600 -11.416 1.00 0.00 H new ATOM 0 HB2 SER A 143 -1.581 3.469 -10.414 1.00 0.00 H new ATOM 0 HB3 SER A 143 -2.732 4.374 -9.452 1.00 0.00 H new ATOM 0 HG SER A 143 -3.584 5.223 -11.478 1.00 0.00 H new ATOM 2086 N THR A 144 -1.141 8.027 -10.185 1.00 0.00 N ATOM 2087 CA THR A 144 -1.684 9.389 -10.096 1.00 0.00 C ATOM 2088 C THR A 144 -2.201 9.897 -11.463 1.00 0.00 C ATOM 2089 O THR A 144 -2.467 11.093 -11.633 1.00 0.00 O ATOM 2090 CB THR A 144 -0.601 10.282 -9.464 1.00 0.00 C ATOM 2091 OG1 THR A 144 -1.153 11.398 -8.817 1.00 0.00 O ATOM 2092 CG2 THR A 144 0.505 10.734 -10.425 1.00 0.00 C ATOM 0 H THR A 144 -0.122 7.984 -10.188 1.00 0.00 H new ATOM 0 HA THR A 144 -2.568 9.411 -9.458 1.00 0.00 H new ATOM 0 HB THR A 144 -0.123 9.633 -8.731 1.00 0.00 H new ATOM 0 HG1 THR A 144 -1.818 11.819 -9.401 1.00 0.00 H new ATOM 0 HG21 THR A 144 1.220 11.358 -9.889 1.00 0.00 H new ATOM 0 HG22 THR A 144 1.016 9.860 -10.828 1.00 0.00 H new ATOM 0 HG23 THR A 144 0.066 11.306 -11.242 1.00 0.00 H new ATOM 2100 N ARG A 145 -2.248 9.022 -12.470 1.00 0.00 N ATOM 2101 CA ARG A 145 -2.586 9.375 -13.843 1.00 0.00 C ATOM 2102 C ARG A 145 -4.073 9.668 -13.946 1.00 0.00 C ATOM 2103 O ARG A 145 -4.854 9.217 -13.084 1.00 0.00 O ATOM 2104 CB ARG A 145 -2.098 8.265 -14.785 1.00 0.00 C ATOM 2105 CG ARG A 145 -0.615 8.501 -15.124 1.00 0.00 C ATOM 2106 CD ARG A 145 0.136 7.240 -15.553 1.00 0.00 C ATOM 2107 NE ARG A 145 0.554 6.423 -14.393 1.00 0.00 N ATOM 2108 CZ ARG A 145 0.560 5.087 -14.328 1.00 0.00 C ATOM 2109 NH1 ARG A 145 0.112 4.368 -15.345 1.00 0.00 N ATOM 2110 NH2 ARG A 145 1.007 4.455 -13.248 1.00 0.00 N ATOM 0 H ARG A 145 -2.048 8.029 -12.347 1.00 0.00 H new ATOM 0 HA ARG A 145 -2.078 10.289 -14.152 1.00 0.00 H new ATOM 0 HB2 ARG A 145 -2.225 7.290 -14.314 1.00 0.00 H new ATOM 0 HB3 ARG A 145 -2.695 8.258 -15.697 1.00 0.00 H new ATOM 0 HG2 ARG A 145 -0.549 9.240 -15.923 1.00 0.00 H new ATOM 0 HG3 ARG A 145 -0.118 8.928 -14.253 1.00 0.00 H new ATOM 0 HD2 ARG A 145 -0.501 6.643 -16.206 1.00 0.00 H new ATOM 0 HD3 ARG A 145 1.014 7.521 -16.134 1.00 0.00 H new ATOM 0 HE ARG A 145 0.868 6.927 -13.563 1.00 0.00 H new ATOM 0 HH11 ARG A 145 -0.240 4.833 -16.182 1.00 0.00 H new ATOM 0 HH12 ARG A 145 0.118 3.349 -15.291 1.00 0.00 H new ATOM 0 HH21 ARG A 145 1.353 4.989 -12.451 1.00 0.00 H new ATOM 0 HH22 ARG A 145 1.004 3.436 -13.216 1.00 0.00 H new