USER MOD reduce.3.24.130724 H: found=0, std=0, add=763, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 764 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 54 ASN : amide:sc= -1.89! C(o=-6.3!,f=-11!) USER MOD Set 1.2: A 101 GLN : amide:sc= -4.42! C(o=-6.3!,f=-13!) USER MOD Set 2.1: A 97 THR OG1 : rot -175:sc= -0.755 USER MOD Set 2.2: A 104 SER OG : rot 170:sc= 0.337 USER MOD Set 3.1: A 38 SER OG : rot -72:sc= 0.532 USER MOD Set 3.2: A 77 SER OG : rot -28:sc= 0.688 USER MOD Set 4.1: A 45 THR OG1 : rot -91:sc= -0.355 USER MOD Set 4.2: A 47 THR OG1 : rot 180:sc= 0 USER MOD Set 5.1: A 31 THR OG1 : rot 180:sc= 1.04 USER MOD Set 5.2: A 34 THR OG1 : rot -114:sc= 1.27 USER MOD Set 6.1: A 25 THR OG1 : rot 180:sc= -0.369 USER MOD Set 6.2: A 27 GLN : amide:sc= -0.042 X(o=-0.41,f=-0.9) USER MOD Single : A 22 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 ASN : amide:sc= -0.0289 K(o=-0.029,f=-2.3) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 TYR OH : rot 157:sc= 0.68 USER MOD Single : A 61 TYR OH : rot 141:sc= -0.0332 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 GLN :FLIP amide:sc= -0.184 F(o=-0.93,f=-0.18) USER MOD Single : A 74 THR OG1 : rot 92:sc= -0.547! USER MOD Single : A 78 THR OG1 : rot -160:sc= -0.272 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 THR OG1 : rot -150:sc= -0.0391 USER MOD Single : A 99 SER OG : rot -44:sc= 0.276 USER MOD Single : A 107 SER OG : rot 19:sc= -3.35! USER MOD ----------------------------------------------------------------- ATOM 185 N GLY A 16 -17.304 2.930 1.162 1.00 0.00 N ATOM 186 CA GLY A 16 -16.191 2.294 0.482 1.00 0.00 C ATOM 187 C GLY A 16 -16.633 1.478 -0.716 1.00 0.00 C ATOM 188 O GLY A 16 -17.816 1.421 -1.053 1.00 0.00 O ATOM 0 HA2 GLY A 16 -15.484 3.057 0.157 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -15.663 1.648 1.183 1.00 0.00 H new ATOM 192 N PRO A 17 -15.667 0.830 -1.384 1.00 0.00 N ATOM 193 CA PRO A 17 -14.256 0.891 -0.993 1.00 0.00 C ATOM 194 C PRO A 17 -13.643 2.265 -1.246 1.00 0.00 C ATOM 195 O PRO A 17 -14.119 3.039 -2.077 1.00 0.00 O ATOM 196 CB PRO A 17 -13.594 -0.162 -1.885 1.00 0.00 C ATOM 197 CG PRO A 17 -14.484 -0.263 -3.076 1.00 0.00 C ATOM 198 CD PRO A 17 -15.879 -0.014 -2.573 1.00 0.00 C ATOM 0 HA PRO A 17 -14.121 0.711 0.074 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -12.585 0.137 -2.169 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -13.510 -1.120 -1.371 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -14.206 0.469 -3.834 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -14.406 -1.247 -3.539 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -16.492 0.491 -3.320 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -16.387 -0.945 -2.320 1.00 0.00 H new ATOM 206 N PRO A 18 -12.563 2.576 -0.515 1.00 0.00 N ATOM 207 CA PRO A 18 -11.862 3.857 -0.644 1.00 0.00 C ATOM 208 C PRO A 18 -11.121 3.981 -1.971 1.00 0.00 C ATOM 209 O PRO A 18 -10.531 3.017 -2.456 1.00 0.00 O ATOM 210 CB PRO A 18 -10.870 3.838 0.522 1.00 0.00 C ATOM 211 CG PRO A 18 -10.642 2.392 0.802 1.00 0.00 C ATOM 212 CD PRO A 18 -11.942 1.701 0.493 1.00 0.00 C ATOM 0 HA PRO A 18 -12.550 4.702 -0.622 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -9.940 4.342 0.259 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -11.275 4.351 1.394 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -9.834 1.998 0.186 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -10.355 2.236 1.842 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -11.780 0.695 0.106 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -12.567 1.605 1.381 1.00 0.00 H new ATOM 220 N ALA A 19 -11.156 5.176 -2.553 1.00 0.00 N ATOM 221 CA ALA A 19 -10.485 5.426 -3.823 1.00 0.00 C ATOM 222 C ALA A 19 -9.002 5.084 -3.738 1.00 0.00 C ATOM 223 O ALA A 19 -8.259 5.633 -2.924 1.00 0.00 O ATOM 224 CB ALA A 19 -10.670 6.878 -4.240 1.00 0.00 C ATOM 0 H ALA A 19 -11.641 5.985 -2.165 1.00 0.00 H new ATOM 0 HA ALA A 19 -10.937 4.781 -4.577 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -10.164 7.051 -5.190 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -11.733 7.092 -4.351 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -10.246 7.532 -3.478 1.00 0.00 H new ATOM 230 N PRO A 20 -8.559 4.153 -4.596 1.00 0.00 N ATOM 231 CA PRO A 20 -7.160 3.716 -4.637 1.00 0.00 C ATOM 232 C PRO A 20 -6.230 4.797 -5.176 1.00 0.00 C ATOM 233 O PRO A 20 -6.609 5.612 -6.018 1.00 0.00 O ATOM 234 CB PRO A 20 -7.191 2.515 -5.585 1.00 0.00 C ATOM 235 CG PRO A 20 -8.379 2.749 -6.454 1.00 0.00 C ATOM 236 CD PRO A 20 -9.389 3.456 -5.593 1.00 0.00 C ATOM 0 HA PRO A 20 -6.777 3.482 -3.644 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -6.276 2.452 -6.174 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -7.281 1.578 -5.035 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -8.115 3.353 -7.322 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -8.778 1.807 -6.831 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -9.992 4.155 -6.173 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -10.078 2.754 -5.123 1.00 0.00 H new ATOM 244 N PRO A 21 -4.983 4.807 -4.682 1.00 0.00 N ATOM 245 CA PRO A 21 -3.973 5.783 -5.102 1.00 0.00 C ATOM 246 C PRO A 21 -3.508 5.556 -6.536 1.00 0.00 C ATOM 247 O PRO A 21 -3.831 4.538 -7.148 1.00 0.00 O ATOM 248 CB PRO A 21 -2.821 5.545 -4.122 1.00 0.00 C ATOM 249 CG PRO A 21 -2.983 4.130 -3.684 1.00 0.00 C ATOM 250 CD PRO A 21 -4.463 3.866 -3.676 1.00 0.00 C ATOM 0 HA PRO A 21 -4.360 6.802 -5.087 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -1.855 5.703 -4.601 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -2.873 6.230 -3.276 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -2.469 3.450 -4.363 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -2.554 3.976 -2.694 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -4.688 2.832 -3.938 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -4.898 4.047 -2.693 1.00 0.00 H new ATOM 258 N GLN A 22 -2.748 6.509 -7.065 1.00 0.00 N ATOM 259 CA GLN A 22 -2.239 6.411 -8.428 1.00 0.00 C ATOM 260 C GLN A 22 -0.823 6.970 -8.522 1.00 0.00 C ATOM 261 O GLN A 22 -0.293 7.509 -7.551 1.00 0.00 O ATOM 262 CB GLN A 22 -3.161 7.159 -9.394 1.00 0.00 C ATOM 263 CG GLN A 22 -4.552 6.557 -9.496 1.00 0.00 C ATOM 264 CD GLN A 22 -5.328 7.079 -10.689 1.00 0.00 C ATOM 265 OE1 GLN A 22 -5.874 8.183 -10.654 1.00 0.00 O ATOM 266 NE2 GLN A 22 -5.381 6.288 -11.754 1.00 0.00 N ATOM 0 H GLN A 22 -2.471 7.357 -6.571 1.00 0.00 H new ATOM 0 HA GLN A 22 -2.213 5.357 -8.704 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -3.246 8.197 -9.072 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -2.705 7.169 -10.384 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -4.470 5.472 -9.567 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -5.106 6.776 -8.583 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -4.914 5.381 -11.740 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -5.889 6.587 -12.587 1.00 0.00 H new ATOM 275 N ASP A 23 -0.217 6.838 -9.697 1.00 0.00 N ATOM 276 CA ASP A 23 1.137 7.330 -9.918 1.00 0.00 C ATOM 277 C ASP A 23 2.131 6.612 -9.010 1.00 0.00 C ATOM 278 O ASP A 23 3.101 7.208 -8.540 1.00 0.00 O ATOM 279 CB ASP A 23 1.201 8.839 -9.672 1.00 0.00 C ATOM 280 CG ASP A 23 2.255 9.520 -10.523 1.00 0.00 C ATOM 281 OD1 ASP A 23 2.682 8.919 -11.532 1.00 0.00 O ATOM 282 OD2 ASP A 23 2.651 10.653 -10.181 1.00 0.00 O ATOM 0 H ASP A 23 -0.643 6.394 -10.511 1.00 0.00 H new ATOM 0 HA ASP A 23 1.406 7.127 -10.954 1.00 0.00 H new ATOM 0 HB2 ASP A 23 0.227 9.280 -9.883 1.00 0.00 H new ATOM 0 HB3 ASP A 23 1.413 9.024 -8.619 1.00 0.00 H new ATOM 287 N VAL A 24 1.883 5.329 -8.767 1.00 0.00 N ATOM 288 CA VAL A 24 2.756 4.529 -7.916 1.00 0.00 C ATOM 289 C VAL A 24 4.115 4.311 -8.573 1.00 0.00 C ATOM 290 O VAL A 24 4.200 3.865 -9.717 1.00 0.00 O ATOM 291 CB VAL A 24 2.127 3.160 -7.596 1.00 0.00 C ATOM 292 CG1 VAL A 24 2.914 2.454 -6.502 1.00 0.00 C ATOM 293 CG2 VAL A 24 0.670 3.325 -7.194 1.00 0.00 C ATOM 0 H VAL A 24 1.084 4.821 -9.148 1.00 0.00 H new ATOM 0 HA VAL A 24 2.889 5.085 -6.988 1.00 0.00 H new ATOM 0 HB VAL A 24 2.165 2.543 -8.494 1.00 0.00 H new ATOM 0 HG11 VAL A 24 2.455 1.488 -6.289 1.00 0.00 H new ATOM 0 HG12 VAL A 24 3.941 2.302 -6.833 1.00 0.00 H new ATOM 0 HG13 VAL A 24 2.910 3.065 -5.599 1.00 0.00 H new ATOM 0 HG21 VAL A 24 0.241 2.348 -6.971 1.00 0.00 H new ATOM 0 HG22 VAL A 24 0.606 3.959 -6.310 1.00 0.00 H new ATOM 0 HG23 VAL A 24 0.117 3.786 -8.012 1.00 0.00 H new ATOM 303 N THR A 25 5.178 4.628 -7.840 1.00 0.00 N ATOM 304 CA THR A 25 6.533 4.468 -8.351 1.00 0.00 C ATOM 305 C THR A 25 7.510 4.147 -7.226 1.00 0.00 C ATOM 306 O THR A 25 7.223 4.387 -6.053 1.00 0.00 O ATOM 307 CB THR A 25 7.011 5.736 -9.084 1.00 0.00 C ATOM 308 OG1 THR A 25 8.441 5.810 -9.053 1.00 0.00 O ATOM 309 CG2 THR A 25 6.420 6.984 -8.448 1.00 0.00 C ATOM 0 H THR A 25 5.126 4.997 -6.891 1.00 0.00 H new ATOM 0 HA THR A 25 6.509 3.637 -9.056 1.00 0.00 H new ATOM 0 HB THR A 25 6.673 5.680 -10.119 1.00 0.00 H new ATOM 0 HG1 THR A 25 8.737 6.618 -9.522 1.00 0.00 H new ATOM 0 HG21 THR A 25 6.772 7.866 -8.983 1.00 0.00 H new ATOM 0 HG22 THR A 25 5.332 6.938 -8.499 1.00 0.00 H new ATOM 0 HG23 THR A 25 6.732 7.043 -7.405 1.00 0.00 H new ATOM 317 N VAL A 26 8.667 3.602 -7.590 1.00 0.00 N ATOM 318 CA VAL A 26 9.688 3.250 -6.611 1.00 0.00 C ATOM 319 C VAL A 26 10.959 4.064 -6.825 1.00 0.00 C ATOM 320 O VAL A 26 11.673 3.870 -7.808 1.00 0.00 O ATOM 321 CB VAL A 26 10.035 1.750 -6.676 1.00 0.00 C ATOM 322 CG1 VAL A 26 11.098 1.403 -5.646 1.00 0.00 C ATOM 323 CG2 VAL A 26 8.786 0.906 -6.471 1.00 0.00 C ATOM 0 H VAL A 26 8.920 3.395 -8.556 1.00 0.00 H new ATOM 0 HA VAL A 26 9.275 3.478 -5.628 1.00 0.00 H new ATOM 0 HB VAL A 26 10.437 1.530 -7.665 1.00 0.00 H new ATOM 0 HG11 VAL A 26 11.330 0.340 -5.707 1.00 0.00 H new ATOM 0 HG12 VAL A 26 11.999 1.983 -5.844 1.00 0.00 H new ATOM 0 HG13 VAL A 26 10.728 1.637 -4.648 1.00 0.00 H new ATOM 0 HG21 VAL A 26 9.049 -0.151 -6.520 1.00 0.00 H new ATOM 0 HG22 VAL A 26 8.353 1.128 -5.495 1.00 0.00 H new ATOM 0 HG23 VAL A 26 8.060 1.136 -7.251 1.00 0.00 H new ATOM 333 N GLN A 27 11.236 4.974 -5.897 1.00 0.00 N ATOM 334 CA GLN A 27 12.422 5.818 -5.985 1.00 0.00 C ATOM 335 C GLN A 27 13.625 5.135 -5.344 1.00 0.00 C ATOM 336 O GLN A 27 14.505 4.628 -6.038 1.00 0.00 O ATOM 337 CB GLN A 27 12.165 7.166 -5.308 1.00 0.00 C ATOM 338 CG GLN A 27 10.967 7.912 -5.873 1.00 0.00 C ATOM 339 CD GLN A 27 11.343 8.846 -7.007 1.00 0.00 C ATOM 340 OE1 GLN A 27 12.323 9.586 -6.919 1.00 0.00 O ATOM 341 NE2 GLN A 27 10.563 8.815 -8.082 1.00 0.00 N ATOM 0 H GLN A 27 10.656 5.146 -5.076 1.00 0.00 H new ATOM 0 HA GLN A 27 12.642 5.985 -7.040 1.00 0.00 H new ATOM 0 HB2 GLN A 27 12.011 7.004 -4.241 1.00 0.00 H new ATOM 0 HB3 GLN A 27 13.053 7.790 -5.411 1.00 0.00 H new ATOM 0 HG2 GLN A 27 10.230 7.192 -6.229 1.00 0.00 H new ATOM 0 HG3 GLN A 27 10.493 8.486 -5.077 1.00 0.00 H new ATOM 0 HE21 GLN A 27 9.761 8.186 -8.112 1.00 0.00 H new ATOM 0 HE22 GLN A 27 10.766 9.420 -8.877 1.00 0.00 H new ATOM 350 N ALA A 28 13.655 5.125 -4.015 1.00 0.00 N ATOM 351 CA ALA A 28 14.750 4.502 -3.281 1.00 0.00 C ATOM 352 C ALA A 28 14.499 4.550 -1.777 1.00 0.00 C ATOM 353 O ALA A 28 14.088 5.577 -1.239 1.00 0.00 O ATOM 354 CB ALA A 28 16.067 5.183 -3.620 1.00 0.00 C ATOM 0 H ALA A 28 12.934 5.541 -3.425 1.00 0.00 H new ATOM 0 HA ALA A 28 14.807 3.456 -3.581 1.00 0.00 H new ATOM 0 HB1 ALA A 28 16.876 4.708 -3.065 1.00 0.00 H new ATOM 0 HB2 ALA A 28 16.259 5.093 -4.689 1.00 0.00 H new ATOM 0 HB3 ALA A 28 16.012 6.237 -3.349 1.00 0.00 H new ATOM 360 N GLY A 29 14.748 3.430 -1.105 1.00 0.00 N ATOM 361 CA GLY A 29 14.542 3.366 0.331 1.00 0.00 C ATOM 362 C GLY A 29 15.767 3.801 1.112 1.00 0.00 C ATOM 363 O GLY A 29 16.898 3.557 0.693 1.00 0.00 O ATOM 0 H GLY A 29 15.088 2.567 -1.528 1.00 0.00 H new ATOM 0 HA2 GLY A 29 13.698 4.000 0.603 1.00 0.00 H new ATOM 0 HA3 GLY A 29 14.279 2.346 0.612 1.00 0.00 H new ATOM 367 N VAL A 30 15.541 4.448 2.251 1.00 0.00 N ATOM 368 CA VAL A 30 16.634 4.918 3.092 1.00 0.00 C ATOM 369 C VAL A 30 17.724 3.860 3.220 1.00 0.00 C ATOM 370 O VAL A 30 18.887 4.177 3.471 1.00 0.00 O ATOM 371 CB VAL A 30 16.136 5.299 4.499 1.00 0.00 C ATOM 372 CG1 VAL A 30 17.304 5.694 5.391 1.00 0.00 C ATOM 373 CG2 VAL A 30 15.114 6.422 4.416 1.00 0.00 C ATOM 0 H VAL A 30 14.610 4.658 2.612 1.00 0.00 H new ATOM 0 HA VAL A 30 17.047 5.803 2.608 1.00 0.00 H new ATOM 0 HB VAL A 30 15.651 4.429 4.941 1.00 0.00 H new ATOM 0 HG11 VAL A 30 16.932 5.960 6.381 1.00 0.00 H new ATOM 0 HG12 VAL A 30 17.996 4.856 5.476 1.00 0.00 H new ATOM 0 HG13 VAL A 30 17.821 6.549 4.956 1.00 0.00 H new ATOM 0 HG21 VAL A 30 14.773 6.678 5.419 1.00 0.00 H new ATOM 0 HG22 VAL A 30 15.571 7.297 3.954 1.00 0.00 H new ATOM 0 HG23 VAL A 30 14.264 6.097 3.816 1.00 0.00 H new ATOM 383 N THR A 31 17.341 2.599 3.044 1.00 0.00 N ATOM 384 CA THR A 31 18.285 1.493 3.140 1.00 0.00 C ATOM 385 C THR A 31 18.263 0.640 1.877 1.00 0.00 C ATOM 386 O THR A 31 17.291 0.632 1.121 1.00 0.00 O ATOM 387 CB THR A 31 17.978 0.597 4.355 1.00 0.00 C ATOM 388 OG1 THR A 31 16.562 0.465 4.523 1.00 0.00 O ATOM 389 CG2 THR A 31 18.592 1.174 5.622 1.00 0.00 C ATOM 0 H THR A 31 16.383 2.319 2.834 1.00 0.00 H new ATOM 0 HA THR A 31 19.275 1.932 3.262 1.00 0.00 H new ATOM 0 HB THR A 31 18.414 -0.385 4.173 1.00 0.00 H new ATOM 0 HG1 THR A 31 16.376 -0.107 5.296 1.00 0.00 H new ATOM 0 HG21 THR A 31 18.362 0.524 6.466 1.00 0.00 H new ATOM 0 HG22 THR A 31 19.673 1.245 5.503 1.00 0.00 H new ATOM 0 HG23 THR A 31 18.181 2.167 5.806 1.00 0.00 H new ATOM 397 N PRO A 32 19.359 -0.095 1.639 1.00 0.00 N ATOM 398 CA PRO A 32 19.489 -0.966 0.467 1.00 0.00 C ATOM 399 C PRO A 32 18.571 -2.181 0.543 1.00 0.00 C ATOM 400 O PRO A 32 18.412 -2.912 -0.434 1.00 0.00 O ATOM 401 CB PRO A 32 20.957 -1.401 0.510 1.00 0.00 C ATOM 402 CG PRO A 32 21.343 -1.289 1.944 1.00 0.00 C ATOM 403 CD PRO A 32 20.556 -0.134 2.497 1.00 0.00 C ATOM 0 HA PRO A 32 19.208 -0.455 -0.454 1.00 0.00 H new ATOM 0 HB2 PRO A 32 21.078 -2.421 0.146 1.00 0.00 H new ATOM 0 HB3 PRO A 32 21.578 -0.762 -0.118 1.00 0.00 H new ATOM 0 HG2 PRO A 32 21.115 -2.209 2.482 1.00 0.00 H new ATOM 0 HG3 PRO A 32 22.414 -1.116 2.047 1.00 0.00 H new ATOM 0 HD2 PRO A 32 20.295 -0.290 3.544 1.00 0.00 H new ATOM 0 HD3 PRO A 32 21.119 0.798 2.444 1.00 0.00 H new ATOM 411 N ALA A 33 17.970 -2.391 1.709 1.00 0.00 N ATOM 412 CA ALA A 33 17.065 -3.516 1.911 1.00 0.00 C ATOM 413 C ALA A 33 15.609 -3.068 1.848 1.00 0.00 C ATOM 414 O ALA A 33 14.693 -3.866 2.050 1.00 0.00 O ATOM 415 CB ALA A 33 17.354 -4.193 3.243 1.00 0.00 C ATOM 0 H ALA A 33 18.093 -1.797 2.529 1.00 0.00 H new ATOM 0 HA ALA A 33 17.232 -4.233 1.107 1.00 0.00 H new ATOM 0 HB1 ALA A 33 16.671 -5.031 3.381 1.00 0.00 H new ATOM 0 HB2 ALA A 33 18.381 -4.557 3.251 1.00 0.00 H new ATOM 0 HB3 ALA A 33 17.217 -3.476 4.053 1.00 0.00 H new ATOM 421 N THR A 34 15.401 -1.785 1.567 1.00 0.00 N ATOM 422 CA THR A 34 14.056 -1.231 1.479 1.00 0.00 C ATOM 423 C THR A 34 13.951 -0.219 0.344 1.00 0.00 C ATOM 424 O THR A 34 14.963 0.270 -0.159 1.00 0.00 O ATOM 425 CB THR A 34 13.641 -0.551 2.798 1.00 0.00 C ATOM 426 OG1 THR A 34 14.503 0.561 3.067 1.00 0.00 O ATOM 427 CG2 THR A 34 13.699 -1.535 3.956 1.00 0.00 C ATOM 0 H THR A 34 16.147 -1.111 1.397 1.00 0.00 H new ATOM 0 HA THR A 34 13.383 -2.065 1.281 1.00 0.00 H new ATOM 0 HB THR A 34 12.615 -0.199 2.693 1.00 0.00 H new ATOM 0 HG1 THR A 34 15.035 0.376 3.869 1.00 0.00 H new ATOM 0 HG21 THR A 34 13.402 -1.032 4.876 1.00 0.00 H new ATOM 0 HG22 THR A 34 13.021 -2.366 3.762 1.00 0.00 H new ATOM 0 HG23 THR A 34 14.716 -1.913 4.061 1.00 0.00 H new ATOM 435 N ILE A 35 12.722 0.091 -0.054 1.00 0.00 N ATOM 436 CA ILE A 35 12.487 1.047 -1.130 1.00 0.00 C ATOM 437 C ILE A 35 11.508 2.133 -0.695 1.00 0.00 C ATOM 438 O ILE A 35 11.071 2.165 0.455 1.00 0.00 O ATOM 439 CB ILE A 35 11.939 0.352 -2.390 1.00 0.00 C ATOM 440 CG1 ILE A 35 10.826 -0.628 -2.016 1.00 0.00 C ATOM 441 CG2 ILE A 35 13.059 -0.366 -3.128 1.00 0.00 C ATOM 442 CD1 ILE A 35 9.967 -1.045 -3.190 1.00 0.00 C ATOM 0 H ILE A 35 11.874 -0.305 0.352 1.00 0.00 H new ATOM 0 HA ILE A 35 13.449 1.501 -1.365 1.00 0.00 H new ATOM 0 HB ILE A 35 11.521 1.110 -3.052 1.00 0.00 H new ATOM 0 HG12 ILE A 35 11.271 -1.517 -1.568 1.00 0.00 H new ATOM 0 HG13 ILE A 35 10.192 -0.172 -1.256 1.00 0.00 H new ATOM 0 HG21 ILE A 35 12.656 -0.852 -4.016 1.00 0.00 H new ATOM 0 HG22 ILE A 35 13.821 0.355 -3.423 1.00 0.00 H new ATOM 0 HG23 ILE A 35 13.504 -1.116 -2.474 1.00 0.00 H new ATOM 0 HD11 ILE A 35 9.199 -1.740 -2.850 1.00 0.00 H new ATOM 0 HD12 ILE A 35 9.493 -0.165 -3.625 1.00 0.00 H new ATOM 0 HD13 ILE A 35 10.589 -1.531 -3.942 1.00 0.00 H new ATOM 454 N ARG A 36 11.166 3.019 -1.624 1.00 0.00 N ATOM 455 CA ARG A 36 10.238 4.107 -1.338 1.00 0.00 C ATOM 456 C ARG A 36 9.139 4.176 -2.394 1.00 0.00 C ATOM 457 O ARG A 36 9.340 4.722 -3.479 1.00 0.00 O ATOM 458 CB ARG A 36 10.985 5.440 -1.276 1.00 0.00 C ATOM 459 CG ARG A 36 10.261 6.507 -0.471 1.00 0.00 C ATOM 460 CD ARG A 36 11.143 7.724 -0.238 1.00 0.00 C ATOM 461 NE ARG A 36 11.337 8.500 -1.460 1.00 0.00 N ATOM 462 CZ ARG A 36 12.229 9.478 -1.576 1.00 0.00 C ATOM 463 NH1 ARG A 36 13.005 9.796 -0.549 1.00 0.00 N ATOM 464 NH2 ARG A 36 12.347 10.138 -2.720 1.00 0.00 N ATOM 0 H ARG A 36 11.517 3.005 -2.581 1.00 0.00 H new ATOM 0 HA ARG A 36 9.776 3.912 -0.370 1.00 0.00 H new ATOM 0 HB2 ARG A 36 11.971 5.275 -0.841 1.00 0.00 H new ATOM 0 HB3 ARG A 36 11.142 5.806 -2.291 1.00 0.00 H new ATOM 0 HG2 ARG A 36 9.355 6.808 -0.996 1.00 0.00 H new ATOM 0 HG3 ARG A 36 9.950 6.092 0.488 1.00 0.00 H new ATOM 0 HD2 ARG A 36 10.693 8.357 0.526 1.00 0.00 H new ATOM 0 HD3 ARG A 36 12.111 7.402 0.145 1.00 0.00 H new ATOM 0 HE ARG A 36 10.756 8.279 -2.269 1.00 0.00 H new ATOM 0 HH11 ARG A 36 12.918 9.290 0.332 1.00 0.00 H new ATOM 0 HH12 ARG A 36 13.689 10.547 -0.640 1.00 0.00 H new ATOM 0 HH21 ARG A 36 11.753 9.895 -3.513 1.00 0.00 H new ATOM 0 HH22 ARG A 36 13.032 10.889 -2.807 1.00 0.00 H new ATOM 478 N VAL A 37 7.977 3.618 -2.070 1.00 0.00 N ATOM 479 CA VAL A 37 6.846 3.617 -2.990 1.00 0.00 C ATOM 480 C VAL A 37 6.061 4.921 -2.897 1.00 0.00 C ATOM 481 O VAL A 37 5.321 5.145 -1.940 1.00 0.00 O ATOM 482 CB VAL A 37 5.896 2.438 -2.709 1.00 0.00 C ATOM 483 CG1 VAL A 37 4.865 2.307 -3.820 1.00 0.00 C ATOM 484 CG2 VAL A 37 6.684 1.147 -2.547 1.00 0.00 C ATOM 0 H VAL A 37 7.794 3.161 -1.177 1.00 0.00 H new ATOM 0 HA VAL A 37 7.255 3.513 -3.995 1.00 0.00 H new ATOM 0 HB VAL A 37 5.367 2.634 -1.776 1.00 0.00 H new ATOM 0 HG11 VAL A 37 4.202 1.469 -3.604 1.00 0.00 H new ATOM 0 HG12 VAL A 37 4.280 3.225 -3.884 1.00 0.00 H new ATOM 0 HG13 VAL A 37 5.373 2.134 -4.769 1.00 0.00 H new ATOM 0 HG21 VAL A 37 5.997 0.324 -2.349 1.00 0.00 H new ATOM 0 HG22 VAL A 37 7.240 0.943 -3.462 1.00 0.00 H new ATOM 0 HG23 VAL A 37 7.380 1.247 -1.714 1.00 0.00 H new ATOM 494 N SER A 38 6.228 5.778 -3.900 1.00 0.00 N ATOM 495 CA SER A 38 5.537 7.062 -3.931 1.00 0.00 C ATOM 496 C SER A 38 4.285 6.984 -4.799 1.00 0.00 C ATOM 497 O SER A 38 4.278 6.329 -5.840 1.00 0.00 O ATOM 498 CB SER A 38 6.470 8.154 -4.457 1.00 0.00 C ATOM 499 OG SER A 38 7.679 8.191 -3.720 1.00 0.00 O ATOM 0 H SER A 38 6.835 5.606 -4.701 1.00 0.00 H new ATOM 0 HA SER A 38 5.237 7.310 -2.913 1.00 0.00 H new ATOM 0 HB2 SER A 38 6.688 7.974 -5.510 1.00 0.00 H new ATOM 0 HB3 SER A 38 5.973 9.122 -4.395 1.00 0.00 H new ATOM 0 HG SER A 38 7.508 8.564 -2.830 1.00 0.00 H new ATOM 505 N TRP A 39 3.227 7.658 -4.361 1.00 0.00 N ATOM 506 CA TRP A 39 1.968 7.667 -5.098 1.00 0.00 C ATOM 507 C TRP A 39 1.242 8.995 -4.920 1.00 0.00 C ATOM 508 O TRP A 39 1.767 9.922 -4.303 1.00 0.00 O ATOM 509 CB TRP A 39 1.074 6.516 -4.632 1.00 0.00 C ATOM 510 CG TRP A 39 0.745 6.574 -3.171 1.00 0.00 C ATOM 511 CD1 TRP A 39 -0.177 7.383 -2.570 1.00 0.00 C ATOM 512 CD2 TRP A 39 1.336 5.792 -2.128 1.00 0.00 C ATOM 513 NE1 TRP A 39 -0.194 7.151 -1.216 1.00 0.00 N ATOM 514 CE2 TRP A 39 0.725 6.178 -0.919 1.00 0.00 C ATOM 515 CE3 TRP A 39 2.321 4.801 -2.097 1.00 0.00 C ATOM 516 CZ2 TRP A 39 1.068 5.609 0.304 1.00 0.00 C ATOM 517 CZ3 TRP A 39 2.661 4.237 -0.882 1.00 0.00 C ATOM 518 CH2 TRP A 39 2.036 4.642 0.305 1.00 0.00 C ATOM 0 H TRP A 39 3.216 8.205 -3.500 1.00 0.00 H new ATOM 0 HA TRP A 39 2.194 7.538 -6.157 1.00 0.00 H new ATOM 0 HB2 TRP A 39 0.148 6.529 -5.207 1.00 0.00 H new ATOM 0 HB3 TRP A 39 1.570 5.570 -4.848 1.00 0.00 H new ATOM 0 HD1 TRP A 39 -0.801 8.100 -3.084 1.00 0.00 H new ATOM 0 HE1 TRP A 39 -0.793 7.626 -0.541 1.00 0.00 H new ATOM 0 HE3 TRP A 39 2.808 4.482 -3.007 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 0.587 5.920 1.220 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 3.421 3.471 -0.847 1.00 0.00 H new ATOM 0 HH2 TRP A 39 2.324 4.182 1.239 1.00 0.00 H new ATOM 529 N ARG A 40 0.033 9.081 -5.464 1.00 0.00 N ATOM 530 CA ARG A 40 -0.765 10.298 -5.365 1.00 0.00 C ATOM 531 C ARG A 40 -2.108 10.015 -4.699 1.00 0.00 C ATOM 532 O ARG A 40 -2.995 9.386 -5.276 1.00 0.00 O ATOM 533 CB ARG A 40 -0.988 10.900 -6.753 1.00 0.00 C ATOM 534 CG ARG A 40 0.282 11.426 -7.401 1.00 0.00 C ATOM 535 CD ARG A 40 0.566 12.861 -6.988 1.00 0.00 C ATOM 536 NE ARG A 40 -0.504 13.769 -7.394 1.00 0.00 N ATOM 537 CZ ARG A 40 -0.587 14.313 -8.603 1.00 0.00 C ATOM 538 NH1 ARG A 40 0.331 14.041 -9.520 1.00 0.00 N ATOM 539 NH2 ARG A 40 -1.591 15.130 -8.897 1.00 0.00 N ATOM 0 H ARG A 40 -0.416 8.323 -5.978 1.00 0.00 H new ATOM 0 HA ARG A 40 -0.218 11.013 -4.750 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -1.430 10.143 -7.401 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -1.710 11.713 -6.675 1.00 0.00 H new ATOM 0 HG2 ARG A 40 1.124 10.793 -7.121 1.00 0.00 H new ATOM 0 HG3 ARG A 40 0.188 11.370 -8.486 1.00 0.00 H new ATOM 0 HD2 ARG A 40 0.691 12.909 -5.906 1.00 0.00 H new ATOM 0 HD3 ARG A 40 1.506 13.187 -7.433 1.00 0.00 H new ATOM 0 HE ARG A 40 -1.227 13.998 -6.712 1.00 0.00 H new ATOM 0 HH11 ARG A 40 1.103 13.413 -9.298 1.00 0.00 H new ATOM 0 HH12 ARG A 40 0.265 14.460 -10.448 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -2.300 15.341 -8.194 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -1.654 15.547 -9.826 1.00 0.00 H new ATOM 553 N PRO A 41 -2.263 10.490 -3.454 1.00 0.00 N ATOM 554 CA PRO A 41 -3.495 10.301 -2.682 1.00 0.00 C ATOM 555 C PRO A 41 -4.659 11.111 -3.241 1.00 0.00 C ATOM 556 O PRO A 41 -4.563 12.321 -3.446 1.00 0.00 O ATOM 557 CB PRO A 41 -3.118 10.800 -1.285 1.00 0.00 C ATOM 558 CG PRO A 41 -2.008 11.767 -1.514 1.00 0.00 C ATOM 559 CD PRO A 41 -1.248 11.249 -2.704 1.00 0.00 C ATOM 0 HA PRO A 41 -3.834 9.265 -2.702 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -3.965 11.279 -0.794 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -2.801 9.978 -0.643 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -2.395 12.768 -1.704 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -1.363 11.835 -0.638 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -0.832 12.062 -3.300 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -0.414 10.615 -2.403 1.00 0.00 H new ATOM 567 N PRO A 42 -5.787 10.430 -3.494 1.00 0.00 N ATOM 568 CA PRO A 42 -6.993 11.068 -4.032 1.00 0.00 C ATOM 569 C PRO A 42 -7.661 11.991 -3.019 1.00 0.00 C ATOM 570 O PRO A 42 -7.714 11.688 -1.827 1.00 0.00 O ATOM 571 CB PRO A 42 -7.905 9.882 -4.358 1.00 0.00 C ATOM 572 CG PRO A 42 -7.454 8.795 -3.446 1.00 0.00 C ATOM 573 CD PRO A 42 -5.972 8.986 -3.274 1.00 0.00 C ATOM 0 HA PRO A 42 -6.771 11.702 -4.891 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -8.953 10.131 -4.190 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -7.811 9.586 -5.403 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -7.969 8.852 -2.487 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -7.675 7.815 -3.868 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -5.641 8.685 -2.280 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -5.404 8.394 -3.992 1.00 0.00 H new ATOM 581 N VAL A 43 -8.171 13.120 -3.502 1.00 0.00 N ATOM 582 CA VAL A 43 -8.838 14.088 -2.638 1.00 0.00 C ATOM 583 C VAL A 43 -9.753 13.392 -1.637 1.00 0.00 C ATOM 584 O VAL A 43 -10.487 12.467 -1.988 1.00 0.00 O ATOM 585 CB VAL A 43 -9.665 15.095 -3.459 1.00 0.00 C ATOM 586 CG1 VAL A 43 -10.393 16.063 -2.539 1.00 0.00 C ATOM 587 CG2 VAL A 43 -8.773 15.845 -4.436 1.00 0.00 C ATOM 0 H VAL A 43 -8.135 13.387 -4.486 1.00 0.00 H new ATOM 0 HA VAL A 43 -8.056 14.624 -2.099 1.00 0.00 H new ATOM 0 HB VAL A 43 -10.411 14.545 -4.032 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -10.972 16.767 -3.137 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -11.063 15.507 -1.883 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -9.667 16.609 -1.937 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -9.374 16.552 -5.008 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -8.003 16.385 -3.885 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -8.302 15.136 -5.117 1.00 0.00 H new ATOM 597 N LEU A 44 -9.705 13.843 -0.388 1.00 0.00 N ATOM 598 CA LEU A 44 -10.531 13.264 0.666 1.00 0.00 C ATOM 599 C LEU A 44 -11.615 14.242 1.108 1.00 0.00 C ATOM 600 O LEU A 44 -11.340 15.413 1.371 1.00 0.00 O ATOM 601 CB LEU A 44 -9.663 12.871 1.863 1.00 0.00 C ATOM 602 CG LEU A 44 -8.711 11.695 1.644 1.00 0.00 C ATOM 603 CD1 LEU A 44 -7.857 11.463 2.881 1.00 0.00 C ATOM 604 CD2 LEU A 44 -9.489 10.437 1.288 1.00 0.00 C ATOM 0 H LEU A 44 -9.103 14.607 -0.081 1.00 0.00 H new ATOM 0 HA LEU A 44 -11.014 12.372 0.267 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -9.074 13.739 2.160 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -10.320 12.630 2.699 1.00 0.00 H new ATOM 0 HG LEU A 44 -8.051 11.937 0.811 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -7.185 10.622 2.707 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -7.271 12.358 3.092 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -8.501 11.243 3.732 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -8.795 9.611 1.136 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -10.174 10.191 2.100 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -10.057 10.607 0.373 1.00 0.00 H new ATOM 616 N THR A 45 -12.848 13.753 1.190 1.00 0.00 N ATOM 617 CA THR A 45 -13.973 14.583 1.601 1.00 0.00 C ATOM 618 C THR A 45 -13.560 15.571 2.686 1.00 0.00 C ATOM 619 O THR A 45 -12.584 15.365 3.408 1.00 0.00 O ATOM 620 CB THR A 45 -15.143 13.727 2.122 1.00 0.00 C ATOM 621 OG1 THR A 45 -14.685 12.850 3.158 1.00 0.00 O ATOM 622 CG2 THR A 45 -15.759 12.911 0.995 1.00 0.00 C ATOM 0 H THR A 45 -13.093 12.786 0.977 1.00 0.00 H new ATOM 0 HA THR A 45 -14.299 15.132 0.718 1.00 0.00 H new ATOM 0 HB THR A 45 -15.904 14.396 2.523 1.00 0.00 H new ATOM 0 HG1 THR A 45 -14.405 11.997 2.765 1.00 0.00 H new ATOM 0 HG21 THR A 45 -16.583 12.314 1.386 1.00 0.00 H new ATOM 0 HG22 THR A 45 -16.132 13.582 0.222 1.00 0.00 H new ATOM 0 HG23 THR A 45 -15.004 12.251 0.569 1.00 0.00 H new ATOM 630 N PRO A 46 -14.319 16.671 2.807 1.00 0.00 N ATOM 631 CA PRO A 46 -14.051 17.713 3.803 1.00 0.00 C ATOM 632 C PRO A 46 -14.335 17.242 5.225 1.00 0.00 C ATOM 633 O PRO A 46 -14.403 18.046 6.155 1.00 0.00 O ATOM 634 CB PRO A 46 -15.013 18.836 3.409 1.00 0.00 C ATOM 635 CG PRO A 46 -16.123 18.149 2.691 1.00 0.00 C ATOM 636 CD PRO A 46 -15.497 16.982 1.980 1.00 0.00 C ATOM 0 HA PRO A 46 -13.003 18.013 3.807 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -15.379 19.370 4.286 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -14.523 19.571 2.770 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -16.891 17.815 3.389 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -16.606 18.823 1.984 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -16.180 16.135 1.919 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -15.215 17.238 0.959 1.00 0.00 H new ATOM 644 N THR A 47 -14.501 15.933 5.388 1.00 0.00 N ATOM 645 CA THR A 47 -14.779 15.355 6.697 1.00 0.00 C ATOM 646 C THR A 47 -13.827 14.203 7.002 1.00 0.00 C ATOM 647 O THR A 47 -13.813 13.675 8.113 1.00 0.00 O ATOM 648 CB THR A 47 -16.229 14.845 6.789 1.00 0.00 C ATOM 649 OG1 THR A 47 -16.508 13.960 5.700 1.00 0.00 O ATOM 650 CG2 THR A 47 -17.213 16.006 6.770 1.00 0.00 C ATOM 0 H THR A 47 -14.448 15.253 4.630 1.00 0.00 H new ATOM 0 HA THR A 47 -14.633 16.148 7.431 1.00 0.00 H new ATOM 0 HB THR A 47 -16.342 14.308 7.731 1.00 0.00 H new ATOM 0 HG1 THR A 47 -17.432 13.639 5.767 1.00 0.00 H new ATOM 0 HG21 THR A 47 -18.231 15.621 6.836 1.00 0.00 H new ATOM 0 HG22 THR A 47 -17.017 16.663 7.618 1.00 0.00 H new ATOM 0 HG23 THR A 47 -17.096 16.567 5.843 1.00 0.00 H new ATOM 658 N GLY A 48 -13.032 13.819 6.009 1.00 0.00 N ATOM 659 CA GLY A 48 -12.088 12.732 6.192 1.00 0.00 C ATOM 660 C GLY A 48 -12.669 11.387 5.804 1.00 0.00 C ATOM 661 O GLY A 48 -12.786 10.489 6.639 1.00 0.00 O ATOM 0 H GLY A 48 -13.024 14.241 5.080 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -11.197 12.925 5.595 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -11.773 12.701 7.235 1.00 0.00 H new ATOM 665 N LEU A 49 -13.037 11.247 4.536 1.00 0.00 N ATOM 666 CA LEU A 49 -13.611 10.001 4.038 1.00 0.00 C ATOM 667 C LEU A 49 -13.372 9.851 2.539 1.00 0.00 C ATOM 668 O LEU A 49 -13.650 10.765 1.762 1.00 0.00 O ATOM 669 CB LEU A 49 -15.112 9.955 4.334 1.00 0.00 C ATOM 670 CG LEU A 49 -15.509 10.071 5.806 1.00 0.00 C ATOM 671 CD1 LEU A 49 -17.006 10.308 5.938 1.00 0.00 C ATOM 672 CD2 LEU A 49 -15.096 8.822 6.570 1.00 0.00 C ATOM 0 H LEU A 49 -12.948 11.981 3.833 1.00 0.00 H new ATOM 0 HA LEU A 49 -13.120 9.173 4.549 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -15.596 10.762 3.783 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -15.511 9.019 3.943 1.00 0.00 H new ATOM 0 HG LEU A 49 -14.987 10.925 6.237 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -17.270 10.388 6.992 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -17.275 11.232 5.426 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -17.547 9.474 5.491 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -15.387 8.922 7.616 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -15.590 7.951 6.138 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -14.015 8.696 6.504 1.00 0.00 H new ATOM 684 N SER A 50 -12.858 8.693 2.141 1.00 0.00 N ATOM 685 CA SER A 50 -12.580 8.423 0.735 1.00 0.00 C ATOM 686 C SER A 50 -13.660 7.532 0.129 1.00 0.00 C ATOM 687 O SER A 50 -13.675 6.321 0.347 1.00 0.00 O ATOM 688 CB SER A 50 -11.210 7.760 0.582 1.00 0.00 C ATOM 689 OG SER A 50 -10.760 7.822 -0.761 1.00 0.00 O ATOM 0 H SER A 50 -12.625 7.926 2.772 1.00 0.00 H new ATOM 0 HA SER A 50 -12.577 9.374 0.202 1.00 0.00 H new ATOM 0 HB2 SER A 50 -10.489 8.254 1.234 1.00 0.00 H new ATOM 0 HB3 SER A 50 -11.268 6.720 0.902 1.00 0.00 H new ATOM 0 HG SER A 50 -9.882 7.393 -0.832 1.00 0.00 H new ATOM 695 N ASN A 51 -14.561 8.141 -0.635 1.00 0.00 N ATOM 696 CA ASN A 51 -15.646 7.404 -1.273 1.00 0.00 C ATOM 697 C ASN A 51 -16.653 6.913 -0.237 1.00 0.00 C ATOM 698 O ASN A 51 -17.359 5.931 -0.460 1.00 0.00 O ATOM 699 CB ASN A 51 -15.089 6.217 -2.062 1.00 0.00 C ATOM 700 CG ASN A 51 -16.111 5.622 -3.011 1.00 0.00 C ATOM 701 OD1 ASN A 51 -17.224 6.133 -3.141 1.00 0.00 O ATOM 702 ND2 ASN A 51 -15.737 4.537 -3.678 1.00 0.00 N ATOM 0 H ASN A 51 -14.561 9.143 -0.827 1.00 0.00 H new ATOM 0 HA ASN A 51 -16.157 8.080 -1.959 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -14.215 6.539 -2.629 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -14.752 5.448 -1.367 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -16.382 4.092 -4.330 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -14.804 4.149 -3.538 1.00 0.00 H new ATOM 709 N GLY A 52 -16.713 7.605 0.896 1.00 0.00 N ATOM 710 CA GLY A 52 -17.637 7.225 1.949 1.00 0.00 C ATOM 711 C GLY A 52 -16.982 6.365 3.012 1.00 0.00 C ATOM 712 O GLY A 52 -17.560 6.131 4.073 1.00 0.00 O ATOM 0 H GLY A 52 -16.139 8.422 1.104 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -18.044 8.124 2.413 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -18.476 6.683 1.514 1.00 0.00 H new ATOM 716 N ALA A 53 -15.773 5.893 2.727 1.00 0.00 N ATOM 717 CA ALA A 53 -15.040 5.054 3.667 1.00 0.00 C ATOM 718 C ALA A 53 -14.121 5.892 4.549 1.00 0.00 C ATOM 719 O ALA A 53 -13.817 7.041 4.230 1.00 0.00 O ATOM 720 CB ALA A 53 -14.238 3.999 2.919 1.00 0.00 C ATOM 0 H ALA A 53 -15.281 6.077 1.853 1.00 0.00 H new ATOM 0 HA ALA A 53 -15.764 4.555 4.311 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -13.696 3.380 3.634 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -14.914 3.373 2.336 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -13.529 4.487 2.250 1.00 0.00 H new ATOM 726 N ASN A 54 -13.683 5.310 5.661 1.00 0.00 N ATOM 727 CA ASN A 54 -12.800 6.005 6.591 1.00 0.00 C ATOM 728 C ASN A 54 -11.352 5.566 6.396 1.00 0.00 C ATOM 729 O ASN A 54 -10.869 4.661 7.077 1.00 0.00 O ATOM 730 CB ASN A 54 -13.235 5.741 8.034 1.00 0.00 C ATOM 731 CG ASN A 54 -14.742 5.770 8.198 1.00 0.00 C ATOM 732 OD1 ASN A 54 -15.483 5.344 7.312 1.00 0.00 O ATOM 733 ND2 ASN A 54 -15.203 6.276 9.336 1.00 0.00 N ATOM 0 H ASN A 54 -13.925 4.359 5.940 1.00 0.00 H new ATOM 0 HA ASN A 54 -12.868 7.074 6.388 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -12.856 4.770 8.353 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -12.787 6.489 8.688 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -16.208 6.323 9.503 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -14.552 6.618 10.043 1.00 0.00 H new ATOM 740 N VAL A 55 -10.664 6.213 5.461 1.00 0.00 N ATOM 741 CA VAL A 55 -9.270 5.892 5.177 1.00 0.00 C ATOM 742 C VAL A 55 -8.372 6.254 6.354 1.00 0.00 C ATOM 743 O VAL A 55 -8.298 7.414 6.760 1.00 0.00 O ATOM 744 CB VAL A 55 -8.770 6.626 3.918 1.00 0.00 C ATOM 745 CG1 VAL A 55 -7.360 6.178 3.564 1.00 0.00 C ATOM 746 CG2 VAL A 55 -9.721 6.395 2.754 1.00 0.00 C ATOM 0 H VAL A 55 -11.049 6.963 4.887 1.00 0.00 H new ATOM 0 HA VAL A 55 -9.222 4.817 5.004 1.00 0.00 H new ATOM 0 HB VAL A 55 -8.743 7.695 4.128 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -7.023 6.707 2.672 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -6.689 6.401 4.393 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -7.356 5.105 3.372 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -9.352 6.921 1.873 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -9.782 5.328 2.541 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -10.711 6.771 3.013 1.00 0.00 H new ATOM 756 N THR A 56 -7.688 5.253 6.899 1.00 0.00 N ATOM 757 CA THR A 56 -6.794 5.465 8.031 1.00 0.00 C ATOM 758 C THR A 56 -5.345 5.186 7.647 1.00 0.00 C ATOM 759 O THR A 56 -4.455 5.193 8.496 1.00 0.00 O ATOM 760 CB THR A 56 -7.178 4.572 9.225 1.00 0.00 C ATOM 761 OG1 THR A 56 -7.003 3.192 8.882 1.00 0.00 O ATOM 762 CG2 THR A 56 -8.620 4.817 9.643 1.00 0.00 C ATOM 0 H THR A 56 -7.736 4.287 6.575 1.00 0.00 H new ATOM 0 HA THR A 56 -6.895 6.511 8.322 1.00 0.00 H new ATOM 0 HB THR A 56 -6.526 4.823 10.062 1.00 0.00 H new ATOM 0 HG1 THR A 56 -7.248 2.631 9.647 1.00 0.00 H new ATOM 0 HG21 THR A 56 -8.868 4.175 10.488 1.00 0.00 H new ATOM 0 HG22 THR A 56 -8.743 5.861 9.932 1.00 0.00 H new ATOM 0 HG23 THR A 56 -9.284 4.591 8.809 1.00 0.00 H new ATOM 770 N GLY A 57 -5.115 4.939 6.361 1.00 0.00 N ATOM 771 CA GLY A 57 -3.772 4.661 5.887 1.00 0.00 C ATOM 772 C GLY A 57 -3.765 3.841 4.612 1.00 0.00 C ATOM 773 O GLY A 57 -4.821 3.517 4.069 1.00 0.00 O ATOM 0 H GLY A 57 -5.835 4.926 5.639 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -3.249 5.602 5.713 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -3.220 4.128 6.661 1.00 0.00 H new ATOM 777 N TYR A 58 -2.572 3.505 4.134 1.00 0.00 N ATOM 778 CA TYR A 58 -2.432 2.721 2.913 1.00 0.00 C ATOM 779 C TYR A 58 -1.701 1.410 3.188 1.00 0.00 C ATOM 780 O TYR A 58 -1.198 1.186 4.288 1.00 0.00 O ATOM 781 CB TYR A 58 -1.679 3.523 1.850 1.00 0.00 C ATOM 782 CG TYR A 58 -2.443 4.727 1.347 1.00 0.00 C ATOM 783 CD1 TYR A 58 -3.359 4.609 0.309 1.00 0.00 C ATOM 784 CD2 TYR A 58 -2.248 5.983 1.908 1.00 0.00 C ATOM 785 CE1 TYR A 58 -4.058 5.706 -0.155 1.00 0.00 C ATOM 786 CE2 TYR A 58 -2.944 7.085 1.452 1.00 0.00 C ATOM 787 CZ TYR A 58 -3.848 6.942 0.420 1.00 0.00 C ATOM 788 OH TYR A 58 -4.542 8.038 -0.038 1.00 0.00 O ATOM 0 H TYR A 58 -1.688 3.763 4.573 1.00 0.00 H new ATOM 0 HA TYR A 58 -3.431 2.489 2.544 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -0.726 3.854 2.264 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -1.451 2.870 1.008 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -3.527 3.643 -0.143 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -1.540 6.099 2.715 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -4.765 5.597 -0.964 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -2.781 8.054 1.901 1.00 0.00 H new ATOM 0 HH TYR A 58 -4.573 8.722 0.663 1.00 0.00 H new ATOM 798 N GLY A 59 -1.647 0.547 2.178 1.00 0.00 N ATOM 799 CA GLY A 59 -0.977 -0.731 2.330 1.00 0.00 C ATOM 800 C GLY A 59 -0.302 -1.187 1.052 1.00 0.00 C ATOM 801 O GLY A 59 -0.884 -1.105 -0.030 1.00 0.00 O ATOM 0 H GLY A 59 -2.055 0.710 1.258 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -0.233 -0.656 3.123 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -1.702 -1.483 2.643 1.00 0.00 H new ATOM 805 N VAL A 60 0.931 -1.669 1.174 1.00 0.00 N ATOM 806 CA VAL A 60 1.687 -2.139 0.020 1.00 0.00 C ATOM 807 C VAL A 60 1.597 -3.655 -0.116 1.00 0.00 C ATOM 808 O VAL A 60 1.649 -4.381 0.876 1.00 0.00 O ATOM 809 CB VAL A 60 3.169 -1.730 0.114 1.00 0.00 C ATOM 810 CG1 VAL A 60 3.890 -2.028 -1.192 1.00 0.00 C ATOM 811 CG2 VAL A 60 3.293 -0.258 0.478 1.00 0.00 C ATOM 0 H VAL A 60 1.428 -1.744 2.062 1.00 0.00 H new ATOM 0 HA VAL A 60 1.244 -1.671 -0.859 1.00 0.00 H new ATOM 0 HB VAL A 60 3.640 -2.317 0.902 1.00 0.00 H new ATOM 0 HG11 VAL A 60 4.936 -1.732 -1.106 1.00 0.00 H new ATOM 0 HG12 VAL A 60 3.831 -3.095 -1.405 1.00 0.00 H new ATOM 0 HG13 VAL A 60 3.421 -1.470 -2.002 1.00 0.00 H new ATOM 0 HG21 VAL A 60 4.347 0.014 0.540 1.00 0.00 H new ATOM 0 HG22 VAL A 60 2.806 0.348 -0.286 1.00 0.00 H new ATOM 0 HG23 VAL A 60 2.815 -0.080 1.441 1.00 0.00 H new ATOM 821 N TYR A 61 1.461 -4.125 -1.351 1.00 0.00 N ATOM 822 CA TYR A 61 1.362 -5.556 -1.617 1.00 0.00 C ATOM 823 C TYR A 61 2.277 -5.960 -2.768 1.00 0.00 C ATOM 824 O TYR A 61 2.520 -5.178 -3.687 1.00 0.00 O ATOM 825 CB TYR A 61 -0.083 -5.936 -1.941 1.00 0.00 C ATOM 826 CG TYR A 61 -1.025 -5.796 -0.767 1.00 0.00 C ATOM 827 CD1 TYR A 61 -1.568 -4.562 -0.430 1.00 0.00 C ATOM 828 CD2 TYR A 61 -1.372 -6.897 0.006 1.00 0.00 C ATOM 829 CE1 TYR A 61 -2.428 -4.429 0.643 1.00 0.00 C ATOM 830 CE2 TYR A 61 -2.232 -6.774 1.080 1.00 0.00 C ATOM 831 CZ TYR A 61 -2.757 -5.538 1.395 1.00 0.00 C ATOM 832 OH TYR A 61 -3.615 -5.410 2.463 1.00 0.00 O ATOM 0 H TYR A 61 1.417 -3.537 -2.183 1.00 0.00 H new ATOM 0 HA TYR A 61 1.679 -6.090 -0.721 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -0.440 -5.310 -2.759 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -0.108 -6.967 -2.295 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -1.313 -3.692 -1.017 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -0.962 -7.866 -0.237 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -2.840 -3.462 0.892 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -2.492 -7.641 1.670 1.00 0.00 H new ATOM 0 HH TYR A 61 -4.213 -6.186 2.497 1.00 0.00 H new ATOM 842 N ALA A 62 2.781 -7.189 -2.711 1.00 0.00 N ATOM 843 CA ALA A 62 3.667 -7.700 -3.749 1.00 0.00 C ATOM 844 C ALA A 62 3.008 -8.837 -4.522 1.00 0.00 C ATOM 845 O ALA A 62 2.604 -8.668 -5.673 1.00 0.00 O ATOM 846 CB ALA A 62 4.981 -8.166 -3.140 1.00 0.00 C ATOM 0 H ALA A 62 2.590 -7.849 -1.957 1.00 0.00 H new ATOM 0 HA ALA A 62 3.871 -6.890 -4.449 1.00 0.00 H new ATOM 0 HB1 ALA A 62 5.633 -8.545 -3.927 1.00 0.00 H new ATOM 0 HB2 ALA A 62 5.467 -7.329 -2.639 1.00 0.00 H new ATOM 0 HB3 ALA A 62 4.786 -8.958 -2.417 1.00 0.00 H new ATOM 852 N LYS A 63 2.903 -9.998 -3.884 1.00 0.00 N ATOM 853 CA LYS A 63 2.293 -11.164 -4.510 1.00 0.00 C ATOM 854 C LYS A 63 1.104 -11.660 -3.694 1.00 0.00 C ATOM 855 O LYS A 63 0.936 -12.862 -3.492 1.00 0.00 O ATOM 856 CB LYS A 63 3.324 -12.285 -4.663 1.00 0.00 C ATOM 857 CG LYS A 63 4.518 -11.900 -5.519 1.00 0.00 C ATOM 858 CD LYS A 63 4.285 -12.234 -6.983 1.00 0.00 C ATOM 859 CE LYS A 63 3.652 -11.068 -7.727 1.00 0.00 C ATOM 860 NZ LYS A 63 3.597 -11.310 -9.195 1.00 0.00 N ATOM 0 H LYS A 63 3.233 -10.156 -2.932 1.00 0.00 H new ATOM 0 HA LYS A 63 1.936 -10.870 -5.497 1.00 0.00 H new ATOM 0 HB2 LYS A 63 3.676 -12.581 -3.675 1.00 0.00 H new ATOM 0 HB3 LYS A 63 2.838 -13.156 -5.102 1.00 0.00 H new ATOM 0 HG2 LYS A 63 4.713 -10.833 -5.415 1.00 0.00 H new ATOM 0 HG3 LYS A 63 5.406 -12.422 -5.163 1.00 0.00 H new ATOM 0 HD2 LYS A 63 5.233 -12.495 -7.453 1.00 0.00 H new ATOM 0 HD3 LYS A 63 3.640 -13.109 -7.059 1.00 0.00 H new ATOM 0 HE2 LYS A 63 2.644 -10.901 -7.349 1.00 0.00 H new ATOM 0 HE3 LYS A 63 4.221 -10.160 -7.530 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 3.159 -10.492 -9.665 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 4.561 -11.445 -9.561 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 3.032 -12.162 -9.385 1.00 0.00 H new ATOM 874 N GLY A 64 0.280 -10.726 -3.228 1.00 0.00 N ATOM 875 CA GLY A 64 -0.883 -11.090 -2.440 1.00 0.00 C ATOM 876 C GLY A 64 -0.596 -11.099 -0.952 1.00 0.00 C ATOM 877 O GLY A 64 -1.424 -11.542 -0.157 1.00 0.00 O ATOM 0 H GLY A 64 0.397 -9.725 -3.382 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -1.692 -10.389 -2.647 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -1.231 -12.077 -2.746 1.00 0.00 H new ATOM 881 N GLN A 65 0.581 -10.610 -0.575 1.00 0.00 N ATOM 882 CA GLN A 65 0.976 -10.566 0.828 1.00 0.00 C ATOM 883 C GLN A 65 1.438 -9.167 1.220 1.00 0.00 C ATOM 884 O GLN A 65 2.450 -8.674 0.720 1.00 0.00 O ATOM 885 CB GLN A 65 2.090 -11.579 1.098 1.00 0.00 C ATOM 886 CG GLN A 65 1.630 -13.026 1.016 1.00 0.00 C ATOM 887 CD GLN A 65 2.444 -13.948 1.901 1.00 0.00 C ATOM 888 OE1 GLN A 65 3.763 -13.901 1.751 1.00 0.00 O flip ATOM 889 NE2 GLN A 65 1.895 -14.696 2.711 1.00 0.00 N flip ATOM 0 H GLN A 65 1.277 -10.239 -1.221 1.00 0.00 H new ATOM 0 HA GLN A 65 0.106 -10.824 1.432 1.00 0.00 H new ATOM 0 HB2 GLN A 65 2.895 -11.421 0.380 1.00 0.00 H new ATOM 0 HB3 GLN A 65 2.505 -11.394 2.089 1.00 0.00 H new ATOM 0 HG2 GLN A 65 0.580 -13.086 1.303 1.00 0.00 H new ATOM 0 HG3 GLN A 65 1.698 -13.367 -0.017 1.00 0.00 H new ATOM 0 HE21 GLN A 65 0.878 -14.700 2.794 1.00 0.00 H new ATOM 0 HE22 GLN A 65 2.457 -15.311 3.299 1.00 0.00 H new ATOM 898 N ARG A 66 0.691 -8.532 2.117 1.00 0.00 N ATOM 899 CA ARG A 66 1.024 -7.188 2.575 1.00 0.00 C ATOM 900 C ARG A 66 2.507 -7.083 2.917 1.00 0.00 C ATOM 901 O ARG A 66 3.013 -7.815 3.768 1.00 0.00 O ATOM 902 CB ARG A 66 0.180 -6.819 3.796 1.00 0.00 C ATOM 903 CG ARG A 66 -0.211 -5.351 3.845 1.00 0.00 C ATOM 904 CD ARG A 66 -0.292 -4.843 5.276 1.00 0.00 C ATOM 905 NE ARG A 66 -1.364 -3.867 5.450 1.00 0.00 N ATOM 906 CZ ARG A 66 -2.625 -4.198 5.705 1.00 0.00 C ATOM 907 NH1 ARG A 66 -2.969 -5.474 5.815 1.00 0.00 N ATOM 908 NH2 ARG A 66 -3.544 -3.253 5.852 1.00 0.00 N ATOM 0 H ARG A 66 -0.149 -8.926 2.541 1.00 0.00 H new ATOM 0 HA ARG A 66 0.805 -6.490 1.767 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -0.724 -7.427 3.799 1.00 0.00 H new ATOM 0 HB3 ARG A 66 0.735 -7.069 4.700 1.00 0.00 H new ATOM 0 HG2 ARG A 66 0.517 -4.761 3.289 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -1.174 -5.213 3.354 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -0.454 -5.684 5.951 1.00 0.00 H new ATOM 0 HD3 ARG A 66 0.660 -4.390 5.554 1.00 0.00 H new ATOM 0 HE ARG A 66 -1.132 -2.877 5.371 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -2.265 -6.203 5.704 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -3.938 -5.726 6.011 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -3.283 -2.270 5.769 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -4.512 -3.509 6.048 1.00 0.00 H new ATOM 922 N VAL A 67 3.200 -6.166 2.248 1.00 0.00 N ATOM 923 CA VAL A 67 4.625 -5.964 2.482 1.00 0.00 C ATOM 924 C VAL A 67 4.872 -4.720 3.327 1.00 0.00 C ATOM 925 O VAL A 67 5.900 -4.604 3.994 1.00 0.00 O ATOM 926 CB VAL A 67 5.398 -5.832 1.156 1.00 0.00 C ATOM 927 CG1 VAL A 67 5.623 -7.200 0.531 1.00 0.00 C ATOM 928 CG2 VAL A 67 4.656 -4.914 0.197 1.00 0.00 C ATOM 0 H VAL A 67 2.798 -5.552 1.540 1.00 0.00 H new ATOM 0 HA VAL A 67 4.985 -6.842 3.019 1.00 0.00 H new ATOM 0 HB VAL A 67 6.372 -5.390 1.365 1.00 0.00 H new ATOM 0 HG11 VAL A 67 6.170 -7.087 -0.405 1.00 0.00 H new ATOM 0 HG12 VAL A 67 6.199 -7.822 1.216 1.00 0.00 H new ATOM 0 HG13 VAL A 67 4.661 -7.673 0.334 1.00 0.00 H new ATOM 0 HG21 VAL A 67 5.216 -4.832 -0.735 1.00 0.00 H new ATOM 0 HG22 VAL A 67 3.668 -5.325 -0.009 1.00 0.00 H new ATOM 0 HG23 VAL A 67 4.552 -3.926 0.646 1.00 0.00 H new ATOM 938 N ALA A 68 3.923 -3.790 3.295 1.00 0.00 N ATOM 939 CA ALA A 68 4.036 -2.555 4.060 1.00 0.00 C ATOM 940 C ALA A 68 2.662 -1.959 4.347 1.00 0.00 C ATOM 941 O ALA A 68 1.665 -2.356 3.744 1.00 0.00 O ATOM 942 CB ALA A 68 4.904 -1.551 3.316 1.00 0.00 C ATOM 0 H ALA A 68 3.067 -3.869 2.747 1.00 0.00 H new ATOM 0 HA ALA A 68 4.508 -2.790 5.014 1.00 0.00 H new ATOM 0 HB1 ALA A 68 4.980 -0.633 3.899 1.00 0.00 H new ATOM 0 HB2 ALA A 68 5.899 -1.970 3.168 1.00 0.00 H new ATOM 0 HB3 ALA A 68 4.456 -1.330 2.347 1.00 0.00 H new ATOM 948 N GLU A 69 2.617 -1.005 5.272 1.00 0.00 N ATOM 949 CA GLU A 69 1.364 -0.357 5.639 1.00 0.00 C ATOM 950 C GLU A 69 1.625 0.964 6.358 1.00 0.00 C ATOM 951 O GLU A 69 2.316 1.003 7.375 1.00 0.00 O ATOM 952 CB GLU A 69 0.528 -1.279 6.529 1.00 0.00 C ATOM 953 CG GLU A 69 1.052 -1.391 7.951 1.00 0.00 C ATOM 954 CD GLU A 69 0.621 -2.676 8.632 1.00 0.00 C ATOM 955 OE1 GLU A 69 0.954 -3.762 8.115 1.00 0.00 O ATOM 956 OE2 GLU A 69 -0.049 -2.593 9.682 1.00 0.00 O ATOM 0 H GLU A 69 3.433 -0.664 5.780 1.00 0.00 H new ATOM 0 HA GLU A 69 0.810 -0.149 4.723 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -0.498 -0.911 6.557 1.00 0.00 H new ATOM 0 HB3 GLU A 69 0.499 -2.273 6.082 1.00 0.00 H new ATOM 0 HG2 GLU A 69 2.141 -1.338 7.938 1.00 0.00 H new ATOM 0 HG3 GLU A 69 0.698 -0.540 8.533 1.00 0.00 H new ATOM 963 N VAL A 70 1.066 2.044 5.821 1.00 0.00 N ATOM 964 CA VAL A 70 1.237 3.366 6.411 1.00 0.00 C ATOM 965 C VAL A 70 -0.073 3.881 6.995 1.00 0.00 C ATOM 966 O VAL A 70 -1.076 3.996 6.289 1.00 0.00 O ATOM 967 CB VAL A 70 1.758 4.380 5.374 1.00 0.00 C ATOM 968 CG1 VAL A 70 0.925 4.320 4.103 1.00 0.00 C ATOM 969 CG2 VAL A 70 1.757 5.785 5.957 1.00 0.00 C ATOM 0 H VAL A 70 0.491 2.029 4.979 1.00 0.00 H new ATOM 0 HA VAL A 70 1.972 3.264 7.210 1.00 0.00 H new ATOM 0 HB VAL A 70 2.785 4.118 5.119 1.00 0.00 H new ATOM 0 HG11 VAL A 70 1.308 5.043 3.383 1.00 0.00 H new ATOM 0 HG12 VAL A 70 0.982 3.318 3.677 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -0.113 4.556 4.337 1.00 0.00 H new ATOM 0 HG21 VAL A 70 2.128 6.489 5.212 1.00 0.00 H new ATOM 0 HG22 VAL A 70 0.741 6.060 6.242 1.00 0.00 H new ATOM 0 HG23 VAL A 70 2.401 5.815 6.836 1.00 0.00 H new ATOM 979 N ILE A 71 -0.058 4.191 8.287 1.00 0.00 N ATOM 980 CA ILE A 71 -1.245 4.695 8.965 1.00 0.00 C ATOM 981 C ILE A 71 -1.474 6.169 8.649 1.00 0.00 C ATOM 982 O ILE A 71 -1.756 6.970 9.540 1.00 0.00 O ATOM 983 CB ILE A 71 -1.139 4.520 10.492 1.00 0.00 C ATOM 984 CG1 ILE A 71 -0.732 3.086 10.835 1.00 0.00 C ATOM 985 CG2 ILE A 71 -2.459 4.877 11.159 1.00 0.00 C ATOM 986 CD1 ILE A 71 -1.634 2.039 10.220 1.00 0.00 C ATOM 0 H ILE A 71 0.763 4.102 8.885 1.00 0.00 H new ATOM 0 HA ILE A 71 -2.089 4.111 8.598 1.00 0.00 H new ATOM 0 HB ILE A 71 -0.371 5.195 10.868 1.00 0.00 H new ATOM 0 HG12 ILE A 71 0.291 2.917 10.498 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -0.735 2.965 11.918 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -2.368 4.748 12.238 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -2.710 5.914 10.937 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -3.246 4.225 10.781 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -1.286 1.046 10.505 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -2.654 2.182 10.577 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -1.613 2.133 9.134 1.00 0.00 H new ATOM 998 N PHE A 72 -1.353 6.521 7.373 1.00 0.00 N ATOM 999 CA PHE A 72 -1.548 7.899 6.937 1.00 0.00 C ATOM 1000 C PHE A 72 -2.370 7.953 5.653 1.00 0.00 C ATOM 1001 O PHE A 72 -1.941 7.497 4.592 1.00 0.00 O ATOM 1002 CB PHE A 72 -0.197 8.583 6.721 1.00 0.00 C ATOM 1003 CG PHE A 72 -0.266 10.082 6.788 1.00 0.00 C ATOM 1004 CD1 PHE A 72 -0.960 10.711 7.809 1.00 0.00 C ATOM 1005 CD2 PHE A 72 0.363 10.862 5.831 1.00 0.00 C ATOM 1006 CE1 PHE A 72 -1.027 12.090 7.873 1.00 0.00 C ATOM 1007 CE2 PHE A 72 0.300 12.242 5.890 1.00 0.00 C ATOM 1008 CZ PHE A 72 -0.395 12.857 6.913 1.00 0.00 C ATOM 0 H PHE A 72 -1.121 5.871 6.622 1.00 0.00 H new ATOM 0 HA PHE A 72 -2.094 8.427 7.718 1.00 0.00 H new ATOM 0 HB2 PHE A 72 0.506 8.226 7.473 1.00 0.00 H new ATOM 0 HB3 PHE A 72 0.199 8.289 5.749 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -1.454 10.117 8.563 1.00 0.00 H new ATOM 0 HD2 PHE A 72 0.909 10.386 5.030 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -1.573 12.568 8.673 1.00 0.00 H new ATOM 0 HE2 PHE A 72 0.794 12.838 5.137 1.00 0.00 H new ATOM 0 HZ PHE A 72 -0.444 13.935 6.962 1.00 0.00 H new ATOM 1018 N PRO A 73 -3.580 8.522 5.749 1.00 0.00 N ATOM 1019 CA PRO A 73 -4.488 8.650 4.605 1.00 0.00 C ATOM 1020 C PRO A 73 -3.987 9.657 3.576 1.00 0.00 C ATOM 1021 O PRO A 73 -4.317 9.570 2.393 1.00 0.00 O ATOM 1022 CB PRO A 73 -5.792 9.137 5.240 1.00 0.00 C ATOM 1023 CG PRO A 73 -5.370 9.826 6.492 1.00 0.00 C ATOM 1024 CD PRO A 73 -4.155 9.087 6.981 1.00 0.00 C ATOM 0 HA PRO A 73 -4.589 7.713 4.058 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -6.326 9.816 4.575 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -6.463 8.305 5.453 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -5.139 10.874 6.302 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -6.166 9.805 7.237 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -3.454 9.754 7.482 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -4.419 8.307 7.695 1.00 0.00 H new ATOM 1032 N THR A 74 -3.186 10.615 4.034 1.00 0.00 N ATOM 1033 CA THR A 74 -2.640 11.640 3.154 1.00 0.00 C ATOM 1034 C THR A 74 -1.177 11.363 2.828 1.00 0.00 C ATOM 1035 O THR A 74 -0.419 12.277 2.504 1.00 0.00 O ATOM 1036 CB THR A 74 -2.757 13.042 3.783 1.00 0.00 C ATOM 1037 OG1 THR A 74 -2.285 13.013 5.134 1.00 0.00 O ATOM 1038 CG2 THR A 74 -4.198 13.529 3.754 1.00 0.00 C ATOM 0 H THR A 74 -2.901 10.702 5.010 1.00 0.00 H new ATOM 0 HA THR A 74 -3.226 11.612 2.235 1.00 0.00 H new ATOM 0 HB THR A 74 -2.146 13.731 3.200 1.00 0.00 H new ATOM 0 HG1 THR A 74 -1.330 13.234 5.152 1.00 0.00 H new ATOM 0 HG21 THR A 74 -4.256 14.520 4.203 1.00 0.00 H new ATOM 0 HG22 THR A 74 -4.545 13.577 2.722 1.00 0.00 H new ATOM 0 HG23 THR A 74 -4.827 12.839 4.316 1.00 0.00 H new ATOM 1046 N ALA A 75 -0.786 10.095 2.916 1.00 0.00 N ATOM 1047 CA ALA A 75 0.586 9.698 2.628 1.00 0.00 C ATOM 1048 C ALA A 75 0.837 9.640 1.125 1.00 0.00 C ATOM 1049 O ALA A 75 -0.021 9.201 0.359 1.00 0.00 O ATOM 1050 CB ALA A 75 0.891 8.351 3.268 1.00 0.00 C ATOM 0 H ALA A 75 -1.400 9.326 3.184 1.00 0.00 H new ATOM 0 HA ALA A 75 1.252 10.449 3.052 1.00 0.00 H new ATOM 0 HB1 ALA A 75 1.919 8.067 3.045 1.00 0.00 H new ATOM 0 HB2 ALA A 75 0.761 8.423 4.348 1.00 0.00 H new ATOM 0 HB3 ALA A 75 0.212 7.597 2.870 1.00 0.00 H new ATOM 1056 N ASP A 76 2.017 10.087 0.709 1.00 0.00 N ATOM 1057 CA ASP A 76 2.381 10.086 -0.703 1.00 0.00 C ATOM 1058 C ASP A 76 3.575 9.171 -0.956 1.00 0.00 C ATOM 1059 O ASP A 76 4.011 9.003 -2.094 1.00 0.00 O ATOM 1060 CB ASP A 76 2.703 11.506 -1.170 1.00 0.00 C ATOM 1061 CG ASP A 76 3.622 12.236 -0.210 1.00 0.00 C ATOM 1062 OD1 ASP A 76 4.801 11.839 -0.099 1.00 0.00 O ATOM 1063 OD2 ASP A 76 3.163 13.206 0.429 1.00 0.00 O ATOM 0 H ASP A 76 2.738 10.455 1.330 1.00 0.00 H new ATOM 0 HA ASP A 76 1.531 9.709 -1.271 1.00 0.00 H new ATOM 0 HB2 ASP A 76 3.169 11.465 -2.154 1.00 0.00 H new ATOM 0 HB3 ASP A 76 1.776 12.068 -1.280 1.00 0.00 H new ATOM 1068 N SER A 77 4.100 8.582 0.114 1.00 0.00 N ATOM 1069 CA SER A 77 5.247 7.688 0.009 1.00 0.00 C ATOM 1070 C SER A 77 5.416 6.868 1.285 1.00 0.00 C ATOM 1071 O SER A 77 5.207 7.368 2.391 1.00 0.00 O ATOM 1072 CB SER A 77 6.521 8.489 -0.267 1.00 0.00 C ATOM 1073 OG SER A 77 6.357 9.337 -1.391 1.00 0.00 O ATOM 0 H SER A 77 3.749 8.708 1.063 1.00 0.00 H new ATOM 0 HA SER A 77 5.068 7.004 -0.821 1.00 0.00 H new ATOM 0 HB2 SER A 77 6.776 9.086 0.609 1.00 0.00 H new ATOM 0 HB3 SER A 77 7.353 7.807 -0.441 1.00 0.00 H new ATOM 0 HG SER A 77 5.703 8.943 -2.006 1.00 0.00 H new ATOM 1079 N THR A 78 5.794 5.604 1.123 1.00 0.00 N ATOM 1080 CA THR A 78 5.990 4.713 2.259 1.00 0.00 C ATOM 1081 C THR A 78 7.133 3.738 2.003 1.00 0.00 C ATOM 1082 O THR A 78 7.325 3.273 0.880 1.00 0.00 O ATOM 1083 CB THR A 78 4.710 3.915 2.574 1.00 0.00 C ATOM 1084 OG1 THR A 78 4.750 3.439 3.924 1.00 0.00 O ATOM 1085 CG2 THR A 78 4.557 2.740 1.621 1.00 0.00 C ATOM 0 H THR A 78 5.971 5.174 0.215 1.00 0.00 H new ATOM 0 HA THR A 78 6.238 5.342 3.114 1.00 0.00 H new ATOM 0 HB THR A 78 3.854 4.578 2.448 1.00 0.00 H new ATOM 0 HG1 THR A 78 4.123 2.693 4.026 1.00 0.00 H new ATOM 0 HG21 THR A 78 3.647 2.192 1.863 1.00 0.00 H new ATOM 0 HG22 THR A 78 4.498 3.108 0.597 1.00 0.00 H new ATOM 0 HG23 THR A 78 5.417 2.077 1.720 1.00 0.00 H new ATOM 1093 N ALA A 79 7.890 3.431 3.052 1.00 0.00 N ATOM 1094 CA ALA A 79 9.013 2.509 2.940 1.00 0.00 C ATOM 1095 C ALA A 79 8.532 1.063 2.886 1.00 0.00 C ATOM 1096 O ALA A 79 7.580 0.688 3.570 1.00 0.00 O ATOM 1097 CB ALA A 79 9.974 2.704 4.103 1.00 0.00 C ATOM 0 H ALA A 79 7.745 3.808 3.989 1.00 0.00 H new ATOM 0 HA ALA A 79 9.538 2.725 2.009 1.00 0.00 H new ATOM 0 HB1 ALA A 79 10.808 2.009 4.006 1.00 0.00 H new ATOM 0 HB2 ALA A 79 10.351 3.727 4.096 1.00 0.00 H new ATOM 0 HB3 ALA A 79 9.452 2.517 5.041 1.00 0.00 H new ATOM 1103 N VAL A 80 9.196 0.254 2.066 1.00 0.00 N ATOM 1104 CA VAL A 80 8.836 -1.152 1.922 1.00 0.00 C ATOM 1105 C VAL A 80 10.075 -2.040 1.933 1.00 0.00 C ATOM 1106 O VAL A 80 11.111 -1.684 1.373 1.00 0.00 O ATOM 1107 CB VAL A 80 8.051 -1.400 0.621 1.00 0.00 C ATOM 1108 CG1 VAL A 80 7.754 -2.883 0.450 1.00 0.00 C ATOM 1109 CG2 VAL A 80 6.766 -0.586 0.610 1.00 0.00 C ATOM 0 H VAL A 80 9.986 0.548 1.491 1.00 0.00 H new ATOM 0 HA VAL A 80 8.203 -1.406 2.773 1.00 0.00 H new ATOM 0 HB VAL A 80 8.665 -1.078 -0.220 1.00 0.00 H new ATOM 0 HG11 VAL A 80 7.199 -3.039 -0.475 1.00 0.00 H new ATOM 0 HG12 VAL A 80 8.690 -3.439 0.409 1.00 0.00 H new ATOM 0 HG13 VAL A 80 7.160 -3.235 1.293 1.00 0.00 H new ATOM 0 HG21 VAL A 80 6.224 -0.774 -0.317 1.00 0.00 H new ATOM 0 HG22 VAL A 80 6.145 -0.875 1.458 1.00 0.00 H new ATOM 0 HG23 VAL A 80 7.007 0.475 0.681 1.00 0.00 H new ATOM 1119 N GLU A 81 9.960 -3.199 2.575 1.00 0.00 N ATOM 1120 CA GLU A 81 11.072 -4.138 2.658 1.00 0.00 C ATOM 1121 C GLU A 81 11.240 -4.901 1.347 1.00 0.00 C ATOM 1122 O GLU A 81 10.292 -5.500 0.838 1.00 0.00 O ATOM 1123 CB GLU A 81 10.852 -5.123 3.809 1.00 0.00 C ATOM 1124 CG GLU A 81 11.393 -4.633 5.141 1.00 0.00 C ATOM 1125 CD GLU A 81 10.654 -5.226 6.325 1.00 0.00 C ATOM 1126 OE1 GLU A 81 9.412 -5.101 6.372 1.00 0.00 O ATOM 1127 OE2 GLU A 81 11.317 -5.816 7.204 1.00 0.00 O ATOM 0 H GLU A 81 9.109 -3.509 3.044 1.00 0.00 H new ATOM 0 HA GLU A 81 11.982 -3.568 2.845 1.00 0.00 H new ATOM 0 HB2 GLU A 81 9.784 -5.318 3.910 1.00 0.00 H new ATOM 0 HB3 GLU A 81 11.328 -6.072 3.560 1.00 0.00 H new ATOM 0 HG2 GLU A 81 12.451 -4.886 5.214 1.00 0.00 H new ATOM 0 HG3 GLU A 81 11.321 -3.546 5.180 1.00 0.00 H new ATOM 1134 N LEU A 82 12.453 -4.873 0.805 1.00 0.00 N ATOM 1135 CA LEU A 82 12.746 -5.561 -0.448 1.00 0.00 C ATOM 1136 C LEU A 82 12.789 -7.072 -0.242 1.00 0.00 C ATOM 1137 O LEU A 82 12.450 -7.841 -1.142 1.00 0.00 O ATOM 1138 CB LEU A 82 14.080 -5.075 -1.019 1.00 0.00 C ATOM 1139 CG LEU A 82 14.098 -3.642 -1.554 1.00 0.00 C ATOM 1140 CD1 LEU A 82 15.512 -3.233 -1.935 1.00 0.00 C ATOM 1141 CD2 LEU A 82 13.162 -3.506 -2.746 1.00 0.00 C ATOM 0 H LEU A 82 13.249 -4.382 1.213 1.00 0.00 H new ATOM 0 HA LEU A 82 11.949 -5.331 -1.155 1.00 0.00 H new ATOM 0 HB2 LEU A 82 14.838 -5.161 -0.241 1.00 0.00 H new ATOM 0 HB3 LEU A 82 14.374 -5.747 -1.826 1.00 0.00 H new ATOM 0 HG LEU A 82 13.749 -2.975 -0.765 1.00 0.00 H new ATOM 0 HD11 LEU A 82 15.506 -2.211 -2.314 1.00 0.00 H new ATOM 0 HD12 LEU A 82 16.156 -3.291 -1.058 1.00 0.00 H new ATOM 0 HD13 LEU A 82 15.889 -3.903 -2.707 1.00 0.00 H new ATOM 0 HD21 LEU A 82 13.188 -2.480 -3.114 1.00 0.00 H new ATOM 0 HD22 LEU A 82 13.481 -4.183 -3.538 1.00 0.00 H new ATOM 0 HD23 LEU A 82 12.146 -3.757 -2.441 1.00 0.00 H new ATOM 1153 N VAL A 83 13.206 -7.490 0.948 1.00 0.00 N ATOM 1154 CA VAL A 83 13.290 -8.909 1.274 1.00 0.00 C ATOM 1155 C VAL A 83 11.949 -9.602 1.060 1.00 0.00 C ATOM 1156 O VAL A 83 11.895 -10.745 0.606 1.00 0.00 O ATOM 1157 CB VAL A 83 13.741 -9.126 2.730 1.00 0.00 C ATOM 1158 CG1 VAL A 83 12.563 -8.977 3.682 1.00 0.00 C ATOM 1159 CG2 VAL A 83 14.395 -10.490 2.888 1.00 0.00 C ATOM 0 H VAL A 83 13.491 -6.866 1.703 1.00 0.00 H new ATOM 0 HA VAL A 83 14.032 -9.344 0.604 1.00 0.00 H new ATOM 0 HB VAL A 83 14.479 -8.364 2.981 1.00 0.00 H new ATOM 0 HG11 VAL A 83 12.901 -9.134 4.706 1.00 0.00 H new ATOM 0 HG12 VAL A 83 12.143 -7.975 3.588 1.00 0.00 H new ATOM 0 HG13 VAL A 83 11.800 -9.715 3.435 1.00 0.00 H new ATOM 0 HG21 VAL A 83 14.707 -10.626 3.923 1.00 0.00 H new ATOM 0 HG22 VAL A 83 13.682 -11.269 2.619 1.00 0.00 H new ATOM 0 HG23 VAL A 83 15.265 -10.554 2.235 1.00 0.00 H new ATOM 1169 N ARG A 84 10.868 -8.902 1.390 1.00 0.00 N ATOM 1170 CA ARG A 84 9.526 -9.450 1.235 1.00 0.00 C ATOM 1171 C ARG A 84 9.220 -9.732 -0.234 1.00 0.00 C ATOM 1172 O ARG A 84 8.321 -10.511 -0.553 1.00 0.00 O ATOM 1173 CB ARG A 84 8.488 -8.483 1.807 1.00 0.00 C ATOM 1174 CG ARG A 84 8.656 -8.220 3.294 1.00 0.00 C ATOM 1175 CD ARG A 84 7.416 -7.570 3.888 1.00 0.00 C ATOM 1176 NE ARG A 84 6.409 -8.557 4.268 1.00 0.00 N ATOM 1177 CZ ARG A 84 6.588 -9.459 5.227 1.00 0.00 C ATOM 1178 NH1 ARG A 84 7.730 -9.497 5.900 1.00 0.00 N ATOM 1179 NH2 ARG A 84 5.624 -10.324 5.514 1.00 0.00 N ATOM 0 H ARG A 84 10.896 -7.954 1.766 1.00 0.00 H new ATOM 0 HA ARG A 84 9.479 -10.390 1.785 1.00 0.00 H new ATOM 0 HB2 ARG A 84 8.551 -7.537 1.270 1.00 0.00 H new ATOM 0 HB3 ARG A 84 7.491 -8.886 1.628 1.00 0.00 H new ATOM 0 HG2 ARG A 84 8.859 -9.158 3.810 1.00 0.00 H new ATOM 0 HG3 ARG A 84 9.519 -7.574 3.455 1.00 0.00 H new ATOM 0 HD2 ARG A 84 7.698 -6.984 4.763 1.00 0.00 H new ATOM 0 HD3 ARG A 84 6.988 -6.876 3.164 1.00 0.00 H new ATOM 0 HE ARG A 84 5.519 -8.554 3.770 1.00 0.00 H new ATOM 0 HH11 ARG A 84 8.473 -8.833 5.682 1.00 0.00 H new ATOM 0 HH12 ARG A 84 7.865 -10.190 6.636 1.00 0.00 H new ATOM 0 HH21 ARG A 84 4.744 -10.297 4.998 1.00 0.00 H new ATOM 0 HH22 ARG A 84 5.762 -11.016 6.250 1.00 0.00 H new ATOM 1193 N LEU A 85 9.973 -9.092 -1.122 1.00 0.00 N ATOM 1194 CA LEU A 85 9.782 -9.273 -2.557 1.00 0.00 C ATOM 1195 C LEU A 85 10.634 -10.426 -3.079 1.00 0.00 C ATOM 1196 O LEU A 85 10.299 -11.054 -4.083 1.00 0.00 O ATOM 1197 CB LEU A 85 10.134 -7.985 -3.304 1.00 0.00 C ATOM 1198 CG LEU A 85 9.676 -6.682 -2.648 1.00 0.00 C ATOM 1199 CD1 LEU A 85 10.484 -5.506 -3.176 1.00 0.00 C ATOM 1200 CD2 LEU A 85 8.190 -6.460 -2.883 1.00 0.00 C ATOM 0 H LEU A 85 10.721 -8.444 -0.874 1.00 0.00 H new ATOM 0 HA LEU A 85 8.733 -9.513 -2.732 1.00 0.00 H new ATOM 0 HB2 LEU A 85 11.216 -7.945 -3.428 1.00 0.00 H new ATOM 0 HB3 LEU A 85 9.700 -8.038 -4.303 1.00 0.00 H new ATOM 0 HG LEU A 85 9.845 -6.759 -1.574 1.00 0.00 H new ATOM 0 HD11 LEU A 85 10.144 -4.587 -2.698 1.00 0.00 H new ATOM 0 HD12 LEU A 85 11.540 -5.661 -2.954 1.00 0.00 H new ATOM 0 HD13 LEU A 85 10.348 -5.426 -4.254 1.00 0.00 H new ATOM 0 HD21 LEU A 85 7.882 -5.528 -2.409 1.00 0.00 H new ATOM 0 HD22 LEU A 85 7.995 -6.404 -3.954 1.00 0.00 H new ATOM 0 HD23 LEU A 85 7.626 -7.289 -2.455 1.00 0.00 H new ATOM 1212 N ARG A 86 11.737 -10.699 -2.389 1.00 0.00 N ATOM 1213 CA ARG A 86 12.636 -11.777 -2.782 1.00 0.00 C ATOM 1214 C ARG A 86 11.967 -13.137 -2.602 1.00 0.00 C ATOM 1215 O ARG A 86 11.810 -13.894 -3.559 1.00 0.00 O ATOM 1216 CB ARG A 86 13.926 -11.719 -1.961 1.00 0.00 C ATOM 1217 CG ARG A 86 14.566 -10.341 -1.931 1.00 0.00 C ATOM 1218 CD ARG A 86 14.849 -9.826 -3.334 1.00 0.00 C ATOM 1219 NE ARG A 86 15.971 -10.523 -3.957 1.00 0.00 N ATOM 1220 CZ ARG A 86 17.233 -10.381 -3.565 1.00 0.00 C ATOM 1221 NH1 ARG A 86 17.531 -9.572 -2.558 1.00 0.00 N ATOM 1222 NH2 ARG A 86 18.199 -11.049 -4.182 1.00 0.00 N ATOM 0 H ARG A 86 12.029 -10.189 -1.556 1.00 0.00 H new ATOM 0 HA ARG A 86 12.878 -11.647 -3.837 1.00 0.00 H new ATOM 0 HB2 ARG A 86 13.711 -12.033 -0.940 1.00 0.00 H new ATOM 0 HB3 ARG A 86 14.640 -12.433 -2.371 1.00 0.00 H new ATOM 0 HG2 ARG A 86 13.907 -9.644 -1.413 1.00 0.00 H new ATOM 0 HG3 ARG A 86 15.496 -10.383 -1.363 1.00 0.00 H new ATOM 0 HD2 ARG A 86 13.959 -9.948 -3.951 1.00 0.00 H new ATOM 0 HD3 ARG A 86 15.064 -8.758 -3.292 1.00 0.00 H new ATOM 0 HE ARG A 86 15.776 -11.153 -4.735 1.00 0.00 H new ATOM 0 HH11 ARG A 86 16.791 -9.056 -2.082 1.00 0.00 H new ATOM 0 HH12 ARG A 86 18.500 -9.465 -2.259 1.00 0.00 H new ATOM 0 HH21 ARG A 86 17.973 -11.672 -4.958 1.00 0.00 H new ATOM 0 HH22 ARG A 86 19.167 -10.940 -3.881 1.00 0.00 H new ATOM 1236 N SER A 87 11.576 -13.439 -1.368 1.00 0.00 N ATOM 1237 CA SER A 87 10.927 -14.708 -1.061 1.00 0.00 C ATOM 1238 C SER A 87 9.835 -15.021 -2.079 1.00 0.00 C ATOM 1239 O SER A 87 9.699 -16.158 -2.533 1.00 0.00 O ATOM 1240 CB SER A 87 10.333 -14.674 0.348 1.00 0.00 C ATOM 1241 OG SER A 87 10.308 -15.969 0.923 1.00 0.00 O ATOM 0 H SER A 87 11.697 -12.822 -0.565 1.00 0.00 H new ATOM 0 HA SER A 87 11.681 -15.494 -1.111 1.00 0.00 H new ATOM 0 HB2 SER A 87 10.920 -14.005 0.977 1.00 0.00 H new ATOM 0 HB3 SER A 87 9.321 -14.270 0.310 1.00 0.00 H new ATOM 0 HG SER A 87 9.926 -15.920 1.824 1.00 0.00 H new ATOM 1247 N LEU A 88 9.057 -14.004 -2.433 1.00 0.00 N ATOM 1248 CA LEU A 88 7.975 -14.168 -3.398 1.00 0.00 C ATOM 1249 C LEU A 88 8.458 -13.870 -4.814 1.00 0.00 C ATOM 1250 O LEU A 88 7.754 -14.132 -5.788 1.00 0.00 O ATOM 1251 CB LEU A 88 6.805 -13.249 -3.042 1.00 0.00 C ATOM 1252 CG LEU A 88 6.394 -13.225 -1.570 1.00 0.00 C ATOM 1253 CD1 LEU A 88 5.810 -11.870 -1.200 1.00 0.00 C ATOM 1254 CD2 LEU A 88 5.397 -14.336 -1.275 1.00 0.00 C ATOM 0 H LEU A 88 9.155 -13.057 -2.066 1.00 0.00 H new ATOM 0 HA LEU A 88 7.640 -15.205 -3.359 1.00 0.00 H new ATOM 0 HB2 LEU A 88 7.062 -12.233 -3.343 1.00 0.00 H new ATOM 0 HB3 LEU A 88 5.941 -13.548 -3.635 1.00 0.00 H new ATOM 0 HG LEU A 88 7.283 -13.392 -0.963 1.00 0.00 H new ATOM 0 HD11 LEU A 88 5.523 -11.872 -0.148 1.00 0.00 H new ATOM 0 HD12 LEU A 88 6.556 -11.093 -1.371 1.00 0.00 H new ATOM 0 HD13 LEU A 88 4.932 -11.672 -1.815 1.00 0.00 H new ATOM 0 HD21 LEU A 88 5.116 -14.303 -0.222 1.00 0.00 H new ATOM 0 HD22 LEU A 88 4.509 -14.201 -1.892 1.00 0.00 H new ATOM 0 HD23 LEU A 88 5.851 -15.301 -1.499 1.00 0.00 H new ATOM 1266 N GLU A 89 9.665 -13.322 -4.919 1.00 0.00 N ATOM 1267 CA GLU A 89 10.242 -12.990 -6.216 1.00 0.00 C ATOM 1268 C GLU A 89 9.349 -12.013 -6.975 1.00 0.00 C ATOM 1269 O GLU A 89 9.231 -12.085 -8.198 1.00 0.00 O ATOM 1270 CB GLU A 89 10.450 -14.258 -7.046 1.00 0.00 C ATOM 1271 CG GLU A 89 11.260 -15.327 -6.332 1.00 0.00 C ATOM 1272 CD GLU A 89 10.946 -16.726 -6.827 1.00 0.00 C ATOM 1273 OE1 GLU A 89 11.350 -17.057 -7.962 1.00 0.00 O ATOM 1274 OE2 GLU A 89 10.297 -17.488 -6.081 1.00 0.00 O ATOM 0 H GLU A 89 10.261 -13.099 -4.122 1.00 0.00 H new ATOM 0 HA GLU A 89 11.208 -12.514 -6.044 1.00 0.00 H new ATOM 0 HB2 GLU A 89 9.477 -14.670 -7.314 1.00 0.00 H new ATOM 0 HB3 GLU A 89 10.952 -13.995 -7.977 1.00 0.00 H new ATOM 0 HG2 GLU A 89 12.322 -15.126 -6.472 1.00 0.00 H new ATOM 0 HG3 GLU A 89 11.063 -15.272 -5.261 1.00 0.00 H new ATOM 1281 N ALA A 90 8.720 -11.101 -6.240 1.00 0.00 N ATOM 1282 CA ALA A 90 7.839 -10.110 -6.843 1.00 0.00 C ATOM 1283 C ALA A 90 8.639 -9.014 -7.539 1.00 0.00 C ATOM 1284 O ALA A 90 9.535 -8.413 -6.946 1.00 0.00 O ATOM 1285 CB ALA A 90 6.923 -9.507 -5.788 1.00 0.00 C ATOM 0 H ALA A 90 8.805 -11.029 -5.226 1.00 0.00 H new ATOM 0 HA ALA A 90 7.230 -10.612 -7.595 1.00 0.00 H new ATOM 0 HB1 ALA A 90 6.270 -8.768 -6.252 1.00 0.00 H new ATOM 0 HB2 ALA A 90 6.318 -10.294 -5.338 1.00 0.00 H new ATOM 0 HB3 ALA A 90 7.524 -9.026 -5.016 1.00 0.00 H new ATOM 1291 N LYS A 91 8.312 -8.760 -8.802 1.00 0.00 N ATOM 1292 CA LYS A 91 8.999 -7.736 -9.580 1.00 0.00 C ATOM 1293 C LYS A 91 8.191 -6.443 -9.614 1.00 0.00 C ATOM 1294 O LYS A 91 8.476 -5.542 -10.401 1.00 0.00 O ATOM 1295 CB LYS A 91 9.248 -8.232 -11.006 1.00 0.00 C ATOM 1296 CG LYS A 91 10.496 -9.087 -11.143 1.00 0.00 C ATOM 1297 CD LYS A 91 11.760 -8.254 -11.015 1.00 0.00 C ATOM 1298 CE LYS A 91 12.229 -7.740 -12.368 1.00 0.00 C ATOM 1299 NZ LYS A 91 13.184 -8.681 -13.018 1.00 0.00 N ATOM 0 H LYS A 91 7.575 -9.250 -9.309 1.00 0.00 H new ATOM 0 HA LYS A 91 9.956 -7.532 -9.100 1.00 0.00 H new ATOM 0 HB2 LYS A 91 8.384 -8.809 -11.337 1.00 0.00 H new ATOM 0 HB3 LYS A 91 9.332 -7.373 -11.671 1.00 0.00 H new ATOM 0 HG2 LYS A 91 10.492 -9.863 -10.378 1.00 0.00 H new ATOM 0 HG3 LYS A 91 10.488 -9.592 -12.109 1.00 0.00 H new ATOM 0 HD2 LYS A 91 11.576 -7.411 -10.349 1.00 0.00 H new ATOM 0 HD3 LYS A 91 12.548 -8.854 -10.560 1.00 0.00 H new ATOM 0 HE2 LYS A 91 11.367 -7.590 -13.018 1.00 0.00 H new ATOM 0 HE3 LYS A 91 12.706 -6.768 -12.242 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 13.480 -8.295 -13.937 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 14.018 -8.804 -12.409 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 12.721 -9.601 -13.162 1.00 0.00 H new ATOM 1313 N GLY A 92 7.181 -6.359 -8.753 1.00 0.00 N ATOM 1314 CA GLY A 92 6.347 -5.172 -8.700 1.00 0.00 C ATOM 1315 C GLY A 92 5.478 -5.129 -7.459 1.00 0.00 C ATOM 1316 O GLY A 92 5.140 -6.168 -6.892 1.00 0.00 O ATOM 0 H GLY A 92 6.925 -7.092 -8.091 1.00 0.00 H new ATOM 0 HA2 GLY A 92 6.980 -4.285 -8.727 1.00 0.00 H new ATOM 0 HA3 GLY A 92 5.712 -5.138 -9.586 1.00 0.00 H new ATOM 1320 N VAL A 93 5.116 -3.922 -7.034 1.00 0.00 N ATOM 1321 CA VAL A 93 4.282 -3.747 -5.852 1.00 0.00 C ATOM 1322 C VAL A 93 3.063 -2.885 -6.162 1.00 0.00 C ATOM 1323 O VAL A 93 2.933 -2.346 -7.262 1.00 0.00 O ATOM 1324 CB VAL A 93 5.072 -3.102 -4.697 1.00 0.00 C ATOM 1325 CG1 VAL A 93 6.013 -4.115 -4.064 1.00 0.00 C ATOM 1326 CG2 VAL A 93 5.840 -1.886 -5.192 1.00 0.00 C ATOM 0 H VAL A 93 5.388 -3.052 -7.491 1.00 0.00 H new ATOM 0 HA VAL A 93 3.953 -4.741 -5.547 1.00 0.00 H new ATOM 0 HB VAL A 93 4.366 -2.772 -3.935 1.00 0.00 H new ATOM 0 HG11 VAL A 93 6.563 -3.642 -3.250 1.00 0.00 H new ATOM 0 HG12 VAL A 93 5.436 -4.953 -3.673 1.00 0.00 H new ATOM 0 HG13 VAL A 93 6.716 -4.477 -4.814 1.00 0.00 H new ATOM 0 HG21 VAL A 93 6.392 -1.443 -4.364 1.00 0.00 H new ATOM 0 HG22 VAL A 93 6.538 -2.189 -5.972 1.00 0.00 H new ATOM 0 HG23 VAL A 93 5.141 -1.153 -5.595 1.00 0.00 H new ATOM 1336 N THR A 94 2.171 -2.757 -5.185 1.00 0.00 N ATOM 1337 CA THR A 94 0.962 -1.961 -5.353 1.00 0.00 C ATOM 1338 C THR A 94 0.609 -1.218 -4.069 1.00 0.00 C ATOM 1339 O THR A 94 1.263 -1.391 -3.041 1.00 0.00 O ATOM 1340 CB THR A 94 -0.234 -2.838 -5.770 1.00 0.00 C ATOM 1341 OG1 THR A 94 -0.575 -3.738 -4.711 1.00 0.00 O ATOM 1342 CG2 THR A 94 0.087 -3.627 -7.030 1.00 0.00 C ATOM 0 H THR A 94 2.263 -3.195 -4.268 1.00 0.00 H new ATOM 0 HA THR A 94 1.167 -1.238 -6.143 1.00 0.00 H new ATOM 0 HB THR A 94 -1.081 -2.184 -5.976 1.00 0.00 H new ATOM 0 HG1 THR A 94 -0.955 -4.558 -5.089 1.00 0.00 H new ATOM 0 HG21 THR A 94 -0.772 -4.239 -7.305 1.00 0.00 H new ATOM 0 HG22 THR A 94 0.317 -2.938 -7.842 1.00 0.00 H new ATOM 0 HG23 THR A 94 0.947 -4.271 -6.847 1.00 0.00 H new ATOM 1350 N VAL A 95 -0.429 -0.391 -4.136 1.00 0.00 N ATOM 1351 CA VAL A 95 -0.869 0.377 -2.977 1.00 0.00 C ATOM 1352 C VAL A 95 -2.389 0.370 -2.859 1.00 0.00 C ATOM 1353 O VAL A 95 -3.098 0.692 -3.813 1.00 0.00 O ATOM 1354 CB VAL A 95 -0.378 1.835 -3.051 1.00 0.00 C ATOM 1355 CG1 VAL A 95 -0.637 2.553 -1.735 1.00 0.00 C ATOM 1356 CG2 VAL A 95 1.099 1.881 -3.411 1.00 0.00 C ATOM 0 H VAL A 95 -0.981 -0.236 -4.980 1.00 0.00 H new ATOM 0 HA VAL A 95 -0.436 -0.100 -2.098 1.00 0.00 H new ATOM 0 HB VAL A 95 -0.936 2.349 -3.834 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -0.284 3.582 -1.806 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -1.706 2.550 -1.523 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -0.107 2.042 -0.931 1.00 0.00 H new ATOM 0 HG21 VAL A 95 1.430 2.919 -3.459 1.00 0.00 H new ATOM 0 HG22 VAL A 95 1.675 1.351 -2.652 1.00 0.00 H new ATOM 0 HG23 VAL A 95 1.252 1.406 -4.380 1.00 0.00 H new ATOM 1366 N ARG A 96 -2.884 0.002 -1.682 1.00 0.00 N ATOM 1367 CA ARG A 96 -4.321 -0.048 -1.438 1.00 0.00 C ATOM 1368 C ARG A 96 -4.717 0.916 -0.324 1.00 0.00 C ATOM 1369 O ARG A 96 -4.059 0.986 0.715 1.00 0.00 O ATOM 1370 CB ARG A 96 -4.749 -1.470 -1.074 1.00 0.00 C ATOM 1371 CG ARG A 96 -4.054 -2.545 -1.895 1.00 0.00 C ATOM 1372 CD ARG A 96 -4.413 -3.939 -1.405 1.00 0.00 C ATOM 1373 NE ARG A 96 -5.621 -4.451 -2.047 1.00 0.00 N ATOM 1374 CZ ARG A 96 -5.974 -5.731 -2.033 1.00 0.00 C ATOM 1375 NH1 ARG A 96 -5.216 -6.625 -1.414 1.00 0.00 N ATOM 1376 NH2 ARG A 96 -7.089 -6.119 -2.640 1.00 0.00 N ATOM 0 H ARG A 96 -2.311 -0.266 -0.882 1.00 0.00 H new ATOM 0 HA ARG A 96 -4.830 0.253 -2.353 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -4.544 -1.643 -0.017 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -5.827 -1.562 -1.209 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -4.335 -2.443 -2.943 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -2.974 -2.405 -1.840 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -3.583 -4.617 -1.602 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -4.558 -3.917 -0.325 1.00 0.00 H new ATOM 0 HE ARG A 96 -6.226 -3.789 -2.533 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -4.359 -6.330 -0.946 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -5.490 -7.607 -1.405 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -7.675 -5.434 -3.117 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -7.360 -7.102 -2.629 1.00 0.00 H new ATOM 1390 N THR A 97 -5.797 1.658 -0.546 1.00 0.00 N ATOM 1391 CA THR A 97 -6.280 2.619 0.438 1.00 0.00 C ATOM 1392 C THR A 97 -6.970 1.915 1.600 1.00 0.00 C ATOM 1393 O THR A 97 -8.134 1.523 1.500 1.00 0.00 O ATOM 1394 CB THR A 97 -7.260 3.625 -0.194 1.00 0.00 C ATOM 1395 OG1 THR A 97 -6.803 4.002 -1.497 1.00 0.00 O ATOM 1396 CG2 THR A 97 -7.401 4.864 0.678 1.00 0.00 C ATOM 0 H THR A 97 -6.354 1.612 -1.399 1.00 0.00 H new ATOM 0 HA THR A 97 -5.408 3.157 0.809 1.00 0.00 H new ATOM 0 HB THR A 97 -8.235 3.145 -0.277 1.00 0.00 H new ATOM 0 HG1 THR A 97 -7.391 4.696 -1.862 1.00 0.00 H new ATOM 0 HG21 THR A 97 -8.098 5.560 0.211 1.00 0.00 H new ATOM 0 HG22 THR A 97 -7.778 4.577 1.660 1.00 0.00 H new ATOM 0 HG23 THR A 97 -6.429 5.344 0.788 1.00 0.00 H new ATOM 1404 N LEU A 98 -6.248 1.757 2.704 1.00 0.00 N ATOM 1405 CA LEU A 98 -6.792 1.100 3.887 1.00 0.00 C ATOM 1406 C LEU A 98 -7.859 1.966 4.548 1.00 0.00 C ATOM 1407 O LEU A 98 -7.727 3.188 4.616 1.00 0.00 O ATOM 1408 CB LEU A 98 -5.673 0.798 4.886 1.00 0.00 C ATOM 1409 CG LEU A 98 -4.392 0.205 4.300 1.00 0.00 C ATOM 1410 CD1 LEU A 98 -3.343 0.021 5.386 1.00 0.00 C ATOM 1411 CD2 LEU A 98 -4.684 -1.118 3.608 1.00 0.00 C ATOM 0 H LEU A 98 -5.284 2.075 2.804 1.00 0.00 H new ATOM 0 HA LEU A 98 -7.253 0.164 3.573 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -5.418 1.722 5.405 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -6.059 0.108 5.636 1.00 0.00 H new ATOM 0 HG LEU A 98 -3.999 0.901 3.558 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -2.438 -0.402 4.950 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -3.112 0.987 5.836 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -3.726 -0.653 6.152 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -3.760 -1.525 3.197 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -5.102 -1.821 4.329 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -5.400 -0.957 2.802 1.00 0.00 H new ATOM 1423 N SER A 99 -8.916 1.324 5.036 1.00 0.00 N ATOM 1424 CA SER A 99 -10.007 2.036 5.691 1.00 0.00 C ATOM 1425 C SER A 99 -10.656 1.167 6.765 1.00 0.00 C ATOM 1426 O SER A 99 -10.251 0.025 6.982 1.00 0.00 O ATOM 1427 CB SER A 99 -11.056 2.462 4.662 1.00 0.00 C ATOM 1428 OG SER A 99 -11.479 1.359 3.878 1.00 0.00 O ATOM 0 H SER A 99 -9.040 0.313 4.990 1.00 0.00 H new ATOM 0 HA SER A 99 -9.593 2.925 6.168 1.00 0.00 H new ATOM 0 HB2 SER A 99 -11.914 2.900 5.172 1.00 0.00 H new ATOM 0 HB3 SER A 99 -10.642 3.235 4.015 1.00 0.00 H new ATOM 0 HG SER A 99 -10.699 0.827 3.615 1.00 0.00 H new ATOM 1434 N ALA A 100 -11.664 1.717 7.433 1.00 0.00 N ATOM 1435 CA ALA A 100 -12.370 0.993 8.483 1.00 0.00 C ATOM 1436 C ALA A 100 -13.385 0.021 7.892 1.00 0.00 C ATOM 1437 O ALA A 100 -13.922 -0.833 8.596 1.00 0.00 O ATOM 1438 CB ALA A 100 -13.058 1.969 9.426 1.00 0.00 C ATOM 0 H ALA A 100 -12.010 2.662 7.266 1.00 0.00 H new ATOM 0 HA ALA A 100 -11.638 0.415 9.047 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -13.581 1.415 10.205 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -12.313 2.621 9.882 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -13.773 2.572 8.867 1.00 0.00 H new ATOM 1444 N GLN A 101 -13.645 0.159 6.595 1.00 0.00 N ATOM 1445 CA GLN A 101 -14.597 -0.707 5.911 1.00 0.00 C ATOM 1446 C GLN A 101 -13.880 -1.848 5.198 1.00 0.00 C ATOM 1447 O GLN A 101 -14.398 -2.961 5.109 1.00 0.00 O ATOM 1448 CB GLN A 101 -15.422 0.100 4.907 1.00 0.00 C ATOM 1449 CG GLN A 101 -16.414 1.051 5.558 1.00 0.00 C ATOM 1450 CD GLN A 101 -15.736 2.122 6.389 1.00 0.00 C ATOM 1451 OE1 GLN A 101 -15.212 3.100 5.855 1.00 0.00 O ATOM 1452 NE2 GLN A 101 -15.742 1.943 7.705 1.00 0.00 N ATOM 0 H GLN A 101 -13.210 0.862 5.998 1.00 0.00 H new ATOM 0 HA GLN A 101 -15.265 -1.134 6.659 1.00 0.00 H new ATOM 0 HB2 GLN A 101 -14.746 0.672 4.271 1.00 0.00 H new ATOM 0 HB3 GLN A 101 -15.964 -0.588 4.258 1.00 0.00 H new ATOM 0 HG2 GLN A 101 -17.018 1.525 4.785 1.00 0.00 H new ATOM 0 HG3 GLN A 101 -17.095 0.482 6.191 1.00 0.00 H new ATOM 0 HE21 GLN A 101 -16.188 1.118 8.105 1.00 0.00 H new ATOM 0 HE22 GLN A 101 -15.301 2.631 8.315 1.00 0.00 H new ATOM 1461 N GLY A 102 -12.685 -1.564 4.689 1.00 0.00 N ATOM 1462 CA GLY A 102 -11.917 -2.577 3.989 1.00 0.00 C ATOM 1463 C GLY A 102 -10.899 -1.979 3.039 1.00 0.00 C ATOM 1464 O GLY A 102 -10.929 -0.780 2.761 1.00 0.00 O ATOM 0 H GLY A 102 -12.235 -0.651 4.749 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -11.405 -3.207 4.716 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -12.596 -3.222 3.431 1.00 0.00 H new ATOM 1468 N GLU A 103 -9.993 -2.815 2.541 1.00 0.00 N ATOM 1469 CA GLU A 103 -8.959 -2.360 1.619 1.00 0.00 C ATOM 1470 C GLU A 103 -9.514 -2.226 0.204 1.00 0.00 C ATOM 1471 O GLU A 103 -10.480 -2.895 -0.162 1.00 0.00 O ATOM 1472 CB GLU A 103 -7.776 -3.330 1.626 1.00 0.00 C ATOM 1473 CG GLU A 103 -7.395 -3.815 3.014 1.00 0.00 C ATOM 1474 CD GLU A 103 -6.760 -5.192 2.997 1.00 0.00 C ATOM 1475 OE1 GLU A 103 -7.076 -5.980 2.081 1.00 0.00 O ATOM 1476 OE2 GLU A 103 -5.946 -5.481 3.899 1.00 0.00 O ATOM 0 H GLU A 103 -9.954 -3.810 2.761 1.00 0.00 H new ATOM 0 HA GLU A 103 -8.617 -1.380 1.951 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -8.019 -4.191 1.004 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -6.914 -2.842 1.172 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -6.702 -3.105 3.465 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -8.284 -3.837 3.644 1.00 0.00 H new ATOM 1483 N SER A 104 -8.894 -1.357 -0.589 1.00 0.00 N ATOM 1484 CA SER A 104 -9.327 -1.132 -1.963 1.00 0.00 C ATOM 1485 C SER A 104 -8.445 -1.899 -2.943 1.00 0.00 C ATOM 1486 O SER A 104 -7.461 -2.527 -2.551 1.00 0.00 O ATOM 1487 CB SER A 104 -9.295 0.362 -2.291 1.00 0.00 C ATOM 1488 OG SER A 104 -7.964 0.824 -2.437 1.00 0.00 O ATOM 0 H SER A 104 -8.090 -0.798 -0.303 1.00 0.00 H new ATOM 0 HA SER A 104 -10.350 -1.496 -2.061 1.00 0.00 H new ATOM 0 HB2 SER A 104 -9.850 0.548 -3.210 1.00 0.00 H new ATOM 0 HB3 SER A 104 -9.793 0.922 -1.499 1.00 0.00 H new ATOM 0 HG SER A 104 -7.972 1.734 -2.802 1.00 0.00 H new ATOM 1494 N VAL A 105 -8.805 -1.844 -4.222 1.00 0.00 N ATOM 1495 CA VAL A 105 -8.047 -2.531 -5.260 1.00 0.00 C ATOM 1496 C VAL A 105 -6.579 -2.122 -5.231 1.00 0.00 C ATOM 1497 O VAL A 105 -6.221 -1.098 -4.648 1.00 0.00 O ATOM 1498 CB VAL A 105 -8.622 -2.242 -6.659 1.00 0.00 C ATOM 1499 CG1 VAL A 105 -10.058 -2.734 -6.759 1.00 0.00 C ATOM 1500 CG2 VAL A 105 -8.536 -0.757 -6.974 1.00 0.00 C ATOM 0 H VAL A 105 -9.617 -1.330 -4.563 1.00 0.00 H new ATOM 0 HA VAL A 105 -8.127 -3.599 -5.056 1.00 0.00 H new ATOM 0 HB VAL A 105 -8.026 -2.781 -7.395 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -10.447 -2.521 -7.755 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -10.088 -3.809 -6.580 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -10.670 -2.225 -6.014 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -8.947 -0.571 -7.966 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -9.106 -0.195 -6.234 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -7.494 -0.439 -6.947 1.00 0.00 H new ATOM 1510 N ASP A 106 -5.734 -2.927 -5.865 1.00 0.00 N ATOM 1511 CA ASP A 106 -4.303 -2.648 -5.913 1.00 0.00 C ATOM 1512 C ASP A 106 -3.987 -1.617 -6.993 1.00 0.00 C ATOM 1513 O ASP A 106 -4.354 -1.788 -8.155 1.00 0.00 O ATOM 1514 CB ASP A 106 -3.519 -3.935 -6.175 1.00 0.00 C ATOM 1515 CG ASP A 106 -4.304 -4.932 -7.005 1.00 0.00 C ATOM 1516 OD1 ASP A 106 -5.040 -4.497 -7.916 1.00 0.00 O ATOM 1517 OD2 ASP A 106 -4.181 -6.147 -6.744 1.00 0.00 O ATOM 0 H ASP A 106 -6.015 -3.778 -6.353 1.00 0.00 H new ATOM 0 HA ASP A 106 -4.005 -2.240 -4.947 1.00 0.00 H new ATOM 0 HB2 ASP A 106 -2.589 -3.692 -6.688 1.00 0.00 H new ATOM 0 HB3 ASP A 106 -3.248 -4.392 -5.223 1.00 0.00 H new ATOM 1522 N SER A 107 -3.306 -0.546 -6.599 1.00 0.00 N ATOM 1523 CA SER A 107 -2.945 0.516 -7.532 1.00 0.00 C ATOM 1524 C SER A 107 -2.084 -0.029 -8.668 1.00 0.00 C ATOM 1525 O SER A 107 -1.790 -1.223 -8.721 1.00 0.00 O ATOM 1526 CB SER A 107 -2.197 1.633 -6.802 1.00 0.00 C ATOM 1527 OG SER A 107 -1.012 1.144 -6.197 1.00 0.00 O ATOM 0 H SER A 107 -2.993 -0.390 -5.641 1.00 0.00 H new ATOM 0 HA SER A 107 -3.864 0.921 -7.957 1.00 0.00 H new ATOM 0 HB2 SER A 107 -1.948 2.428 -7.505 1.00 0.00 H new ATOM 0 HB3 SER A 107 -2.843 2.071 -6.041 1.00 0.00 H new ATOM 0 HG SER A 107 -0.761 0.291 -6.610 1.00 0.00 H new ATOM 1533 N ALA A 108 -1.684 0.856 -9.575 1.00 0.00 N ATOM 1534 CA ALA A 108 -0.856 0.466 -10.710 1.00 0.00 C ATOM 1535 C ALA A 108 0.412 -0.242 -10.246 1.00 0.00 C ATOM 1536 O ALA A 108 1.299 0.375 -9.655 1.00 0.00 O ATOM 1537 CB ALA A 108 -0.505 1.684 -11.551 1.00 0.00 C ATOM 0 H ALA A 108 -1.920 1.848 -9.546 1.00 0.00 H new ATOM 0 HA ALA A 108 -1.427 -0.232 -11.322 1.00 0.00 H new ATOM 0 HB1 ALA A 108 0.113 1.378 -12.395 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -1.420 2.147 -11.921 1.00 0.00 H new ATOM 0 HB3 ALA A 108 0.043 2.402 -10.941 1.00 0.00 H new ATOM 1543 N VAL A 109 0.492 -1.541 -10.516 1.00 0.00 N ATOM 1544 CA VAL A 109 1.653 -2.334 -10.126 1.00 0.00 C ATOM 1545 C VAL A 109 2.948 -1.669 -10.578 1.00 0.00 C ATOM 1546 O VAL A 109 3.295 -1.699 -11.758 1.00 0.00 O ATOM 1547 CB VAL A 109 1.585 -3.755 -10.716 1.00 0.00 C ATOM 1548 CG1 VAL A 109 1.428 -3.700 -12.228 1.00 0.00 C ATOM 1549 CG2 VAL A 109 2.823 -4.551 -10.329 1.00 0.00 C ATOM 0 H VAL A 109 -0.233 -2.067 -11.003 1.00 0.00 H new ATOM 0 HA VAL A 109 1.642 -2.400 -9.038 1.00 0.00 H new ATOM 0 HB VAL A 109 0.711 -4.260 -10.303 1.00 0.00 H new ATOM 0 HG11 VAL A 109 1.382 -4.714 -12.626 1.00 0.00 H new ATOM 0 HG12 VAL A 109 0.510 -3.169 -12.479 1.00 0.00 H new ATOM 0 HG13 VAL A 109 2.280 -3.178 -12.663 1.00 0.00 H new ATOM 0 HG21 VAL A 109 2.759 -5.553 -10.754 1.00 0.00 H new ATOM 0 HG22 VAL A 109 3.712 -4.050 -10.712 1.00 0.00 H new ATOM 0 HG23 VAL A 109 2.886 -4.621 -9.243 1.00 0.00 H new ATOM 1559 N ALA A 110 3.661 -1.069 -9.630 1.00 0.00 N ATOM 1560 CA ALA A 110 4.920 -0.399 -9.929 1.00 0.00 C ATOM 1561 C ALA A 110 6.082 -1.386 -9.921 1.00 0.00 C ATOM 1562 O ALA A 110 6.612 -1.727 -8.864 1.00 0.00 O ATOM 1563 CB ALA A 110 5.171 0.723 -8.932 1.00 0.00 C ATOM 0 H ALA A 110 3.387 -1.034 -8.648 1.00 0.00 H new ATOM 0 HA ALA A 110 4.847 0.028 -10.929 1.00 0.00 H new ATOM 0 HB1 ALA A 110 6.115 1.215 -9.168 1.00 0.00 H new ATOM 0 HB2 ALA A 110 4.360 1.449 -8.989 1.00 0.00 H new ATOM 0 HB3 ALA A 110 5.218 0.310 -7.924 1.00 0.00 H new ATOM 1569 N ALA A 111 6.474 -1.841 -11.107 1.00 0.00 N ATOM 1570 CA ALA A 111 7.575 -2.788 -11.236 1.00 0.00 C ATOM 1571 C ALA A 111 8.847 -2.241 -10.598 1.00 0.00 C ATOM 1572 O ALA A 111 9.435 -1.277 -11.089 1.00 0.00 O ATOM 1573 CB ALA A 111 7.817 -3.120 -12.701 1.00 0.00 C ATOM 0 H ALA A 111 6.046 -1.569 -11.992 1.00 0.00 H new ATOM 0 HA ALA A 111 7.300 -3.701 -10.709 1.00 0.00 H new ATOM 0 HB1 ALA A 111 8.642 -3.828 -12.782 1.00 0.00 H new ATOM 0 HB2 ALA A 111 6.916 -3.562 -13.128 1.00 0.00 H new ATOM 0 HB3 ALA A 111 8.067 -2.209 -13.244 1.00 0.00 H new ATOM 1579 N VAL A 112 9.268 -2.862 -9.501 1.00 0.00 N ATOM 1580 CA VAL A 112 10.472 -2.437 -8.796 1.00 0.00 C ATOM 1581 C VAL A 112 11.707 -2.593 -9.675 1.00 0.00 C ATOM 1582 O VAL A 112 11.870 -3.583 -10.389 1.00 0.00 O ATOM 1583 CB VAL A 112 10.674 -3.239 -7.497 1.00 0.00 C ATOM 1584 CG1 VAL A 112 11.957 -2.813 -6.800 1.00 0.00 C ATOM 1585 CG2 VAL A 112 9.476 -3.071 -6.575 1.00 0.00 C ATOM 0 H VAL A 112 8.793 -3.661 -9.081 1.00 0.00 H new ATOM 0 HA VAL A 112 10.338 -1.384 -8.547 1.00 0.00 H new ATOM 0 HB VAL A 112 10.761 -4.295 -7.753 1.00 0.00 H new ATOM 0 HG11 VAL A 112 12.083 -3.391 -5.884 1.00 0.00 H new ATOM 0 HG12 VAL A 112 12.806 -2.990 -7.460 1.00 0.00 H new ATOM 0 HG13 VAL A 112 11.903 -1.752 -6.555 1.00 0.00 H new ATOM 0 HG21 VAL A 112 9.636 -3.645 -5.662 1.00 0.00 H new ATOM 0 HG22 VAL A 112 9.354 -2.017 -6.325 1.00 0.00 H new ATOM 0 HG23 VAL A 112 8.578 -3.431 -7.077 1.00 0.00 H new ATOM 1595 N PRO A 113 12.601 -1.594 -9.623 1.00 0.00 N ATOM 1596 CA PRO A 113 13.839 -1.598 -10.408 1.00 0.00 C ATOM 1597 C PRO A 113 14.834 -2.644 -9.916 1.00 0.00 C ATOM 1598 O PRO A 113 14.969 -2.892 -8.718 1.00 0.00 O ATOM 1599 CB PRO A 113 14.397 -0.188 -10.196 1.00 0.00 C ATOM 1600 CG PRO A 113 13.830 0.252 -8.890 1.00 0.00 C ATOM 1601 CD PRO A 113 12.471 -0.384 -8.794 1.00 0.00 C ATOM 0 HA PRO A 113 13.658 -1.847 -11.454 1.00 0.00 H new ATOM 0 HB2 PRO A 113 15.487 -0.193 -10.173 1.00 0.00 H new ATOM 0 HB3 PRO A 113 14.098 0.481 -11.003 1.00 0.00 H new ATOM 0 HG2 PRO A 113 14.467 -0.061 -8.063 1.00 0.00 H new ATOM 0 HG3 PRO A 113 13.757 1.338 -8.842 1.00 0.00 H new ATOM 0 HD2 PRO A 113 12.214 -0.629 -7.763 1.00 0.00 H new ATOM 0 HD3 PRO A 113 11.690 0.278 -9.169 1.00 0.00 H new ATOM 1609 N PRO A 114 15.548 -3.272 -10.861 1.00 0.00 N ATOM 1610 CA PRO A 114 16.544 -4.301 -10.548 1.00 0.00 C ATOM 1611 C PRO A 114 17.777 -3.724 -9.861 1.00 0.00 C ATOM 1612 O PRO A 114 18.573 -4.458 -9.276 1.00 0.00 O ATOM 1613 CB PRO A 114 16.913 -4.868 -11.921 1.00 0.00 C ATOM 1614 CG PRO A 114 16.620 -3.765 -12.877 1.00 0.00 C ATOM 1615 CD PRO A 114 15.439 -3.026 -12.309 1.00 0.00 C ATOM 0 HA PRO A 114 16.155 -5.047 -9.855 1.00 0.00 H new ATOM 0 HB2 PRO A 114 17.963 -5.158 -11.961 1.00 0.00 H new ATOM 0 HB3 PRO A 114 16.328 -5.758 -12.152 1.00 0.00 H new ATOM 0 HG2 PRO A 114 17.479 -3.103 -12.984 1.00 0.00 H new ATOM 0 HG3 PRO A 114 16.394 -4.158 -13.868 1.00 0.00 H new ATOM 0 HD2 PRO A 114 15.482 -1.962 -12.540 1.00 0.00 H new ATOM 0 HD3 PRO A 114 14.498 -3.402 -12.711 1.00 0.00 H new ATOM 1623 N GLU A 115 17.928 -2.405 -9.935 1.00 0.00 N ATOM 1624 CA GLU A 115 19.065 -1.731 -9.320 1.00 0.00 C ATOM 1625 C GLU A 115 18.908 -1.673 -7.803 1.00 0.00 C ATOM 1626 O GLU A 115 19.881 -1.811 -7.061 1.00 0.00 O ATOM 1627 CB GLU A 115 19.213 -0.316 -9.883 1.00 0.00 C ATOM 1628 CG GLU A 115 18.157 0.653 -9.379 1.00 0.00 C ATOM 1629 CD GLU A 115 17.878 1.774 -10.361 1.00 0.00 C ATOM 1630 OE1 GLU A 115 18.805 2.563 -10.640 1.00 0.00 O ATOM 1631 OE2 GLU A 115 16.733 1.862 -10.850 1.00 0.00 O ATOM 0 H GLU A 115 17.277 -1.783 -10.415 1.00 0.00 H new ATOM 0 HA GLU A 115 19.963 -2.303 -9.553 1.00 0.00 H new ATOM 0 HB2 GLU A 115 20.200 0.068 -9.624 1.00 0.00 H new ATOM 0 HB3 GLU A 115 19.164 -0.360 -10.971 1.00 0.00 H new ATOM 0 HG2 GLU A 115 17.233 0.108 -9.183 1.00 0.00 H new ATOM 0 HG3 GLU A 115 18.483 1.079 -8.430 1.00 0.00 H new ATOM 1638 N LEU A 116 17.676 -1.469 -7.350 1.00 0.00 N ATOM 1639 CA LEU A 116 17.390 -1.392 -5.921 1.00 0.00 C ATOM 1640 C LEU A 116 17.279 -2.786 -5.312 1.00 0.00 C ATOM 1641 O LEU A 116 17.583 -2.987 -4.136 1.00 0.00 O ATOM 1642 CB LEU A 116 16.095 -0.613 -5.682 1.00 0.00 C ATOM 1643 CG LEU A 116 16.038 0.794 -6.279 1.00 0.00 C ATOM 1644 CD1 LEU A 116 14.688 1.436 -6.002 1.00 0.00 C ATOM 1645 CD2 LEU A 116 17.164 1.654 -5.726 1.00 0.00 C ATOM 0 H LEU A 116 16.860 -1.354 -7.951 1.00 0.00 H new ATOM 0 HA LEU A 116 18.215 -0.870 -5.437 1.00 0.00 H new ATOM 0 HB2 LEU A 116 15.266 -1.192 -6.088 1.00 0.00 H new ATOM 0 HB3 LEU A 116 15.934 -0.537 -4.607 1.00 0.00 H new ATOM 0 HG LEU A 116 16.165 0.716 -7.359 1.00 0.00 H new ATOM 0 HD11 LEU A 116 14.665 2.437 -6.434 1.00 0.00 H new ATOM 0 HD12 LEU A 116 13.899 0.830 -6.448 1.00 0.00 H new ATOM 0 HD13 LEU A 116 14.531 1.502 -4.925 1.00 0.00 H new ATOM 0 HD21 LEU A 116 17.108 2.651 -6.162 1.00 0.00 H new ATOM 0 HD22 LEU A 116 17.069 1.726 -4.643 1.00 0.00 H new ATOM 0 HD23 LEU A 116 18.124 1.202 -5.977 1.00 0.00 H new ATOM 1657 N LEU A 117 16.843 -3.745 -6.120 1.00 0.00 N ATOM 1658 CA LEU A 117 16.693 -5.122 -5.662 1.00 0.00 C ATOM 1659 C LEU A 117 18.054 -5.758 -5.396 1.00 0.00 C ATOM 1660 O LEU A 117 18.218 -6.521 -4.444 1.00 0.00 O ATOM 1661 CB LEU A 117 15.927 -5.945 -6.699 1.00 0.00 C ATOM 1662 CG LEU A 117 14.457 -5.573 -6.899 1.00 0.00 C ATOM 1663 CD1 LEU A 117 13.968 -6.042 -8.261 1.00 0.00 C ATOM 1664 CD2 LEU A 117 13.602 -6.167 -5.789 1.00 0.00 C ATOM 0 H LEU A 117 16.587 -3.595 -7.096 1.00 0.00 H new ATOM 0 HA LEU A 117 16.129 -5.109 -4.729 1.00 0.00 H new ATOM 0 HB2 LEU A 117 16.438 -5.852 -7.657 1.00 0.00 H new ATOM 0 HB3 LEU A 117 15.979 -6.995 -6.411 1.00 0.00 H new ATOM 0 HG LEU A 117 14.367 -4.487 -6.858 1.00 0.00 H new ATOM 0 HD11 LEU A 117 12.920 -5.769 -8.385 1.00 0.00 H new ATOM 0 HD12 LEU A 117 14.562 -5.569 -9.043 1.00 0.00 H new ATOM 0 HD13 LEU A 117 14.071 -7.125 -8.332 1.00 0.00 H new ATOM 0 HD21 LEU A 117 12.559 -5.893 -5.947 1.00 0.00 H new ATOM 0 HD22 LEU A 117 13.697 -7.253 -5.798 1.00 0.00 H new ATOM 0 HD23 LEU A 117 13.937 -5.782 -4.826 1.00 0.00 H new ATOM 1676 N VAL A 118 19.027 -5.437 -6.242 1.00 0.00 N ATOM 1677 CA VAL A 118 20.375 -5.974 -6.096 1.00 0.00 C ATOM 1678 C VAL A 118 21.171 -5.187 -5.062 1.00 0.00 C ATOM 1679 O VAL A 118 21.140 -3.957 -5.023 1.00 0.00 O ATOM 1680 CB VAL A 118 21.134 -5.956 -7.436 1.00 0.00 C ATOM 1681 CG1 VAL A 118 21.288 -4.530 -7.943 1.00 0.00 C ATOM 1682 CG2 VAL A 118 22.491 -6.627 -7.288 1.00 0.00 C ATOM 0 H VAL A 118 18.907 -4.808 -7.036 1.00 0.00 H new ATOM 0 HA VAL A 118 20.270 -7.006 -5.760 1.00 0.00 H new ATOM 0 HB VAL A 118 20.555 -6.517 -8.170 1.00 0.00 H new ATOM 0 HG11 VAL A 118 21.827 -4.537 -8.891 1.00 0.00 H new ATOM 0 HG12 VAL A 118 20.303 -4.087 -8.089 1.00 0.00 H new ATOM 0 HG13 VAL A 118 21.845 -3.943 -7.213 1.00 0.00 H new ATOM 0 HG21 VAL A 118 23.014 -6.605 -8.244 1.00 0.00 H new ATOM 0 HG22 VAL A 118 23.080 -6.096 -6.540 1.00 0.00 H new ATOM 0 HG23 VAL A 118 22.353 -7.661 -6.973 1.00 0.00 H new