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 38 SER OG : rot -72:sc= 0.248 USER MOD Set 1.2: A 77 SER OG : rot -15:sc= 0.661 USER MOD Set 2.1: A 45 THR OG1 : rot 116:sc= -0.312 USER MOD Set 2.2: A 47 THR OG1 : rot 180:sc= 0.124 USER MOD Set 3.1: A 31 THR OG1 : rot 180:sc= 1.1 USER MOD Set 3.2: A 34 THR OG1 : rot -92:sc= 1.22 USER MOD Single : A 22 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 THR OG1 : rot 180:sc= -0.632 USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=-0.045) USER MOD Single : A 50 SER OG : rot 150:sc= -0.65 USER MOD Single : A 51 ASN : amide:sc= -1.01 K(o=-1,f=-3.9!) USER MOD Single : A 54 ASN : amide:sc= 0 K(o=0,f=-0.81) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 TYR OH : rot 148:sc= 0.722 USER MOD Single : A 61 TYR OH : rot 4:sc= -1.07 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 GLN :FLIP amide:sc= -1.34 F(o=-2.6!,f=-1.3) USER MOD Single : A 74 THR OG1 : rot 83:sc= 1.51 USER MOD Single : A 78 THR OG1 : rot 50:sc= -0.456 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 -140:sc= 0 USER MOD Single : A 97 THR OG1 : rot 176:sc= -1.09 USER MOD Single : A 99 SER OG : rot -30:sc= 1.19 USER MOD Single : A 101 GLN : amide:sc= -2.32! C(o=-2.3!,f=-12!) USER MOD Single : A 104 SER OG : rot 100:sc= -0.673 USER MOD Single : A 107 SER OG : rot 50:sc= -3.84! USER MOD ----------------------------------------------------------------- ATOM 185 N GLY A 16 -17.436 2.695 0.707 1.00 0.00 N ATOM 186 CA GLY A 16 -16.291 2.023 0.121 1.00 0.00 C ATOM 187 C GLY A 16 -16.660 1.213 -1.107 1.00 0.00 C ATOM 188 O GLY A 16 -17.826 1.125 -1.491 1.00 0.00 O ATOM 0 HA2 GLY A 16 -15.538 2.763 -0.149 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -15.840 1.365 0.864 1.00 0.00 H new ATOM 192 N PRO A 17 -15.649 0.605 -1.745 1.00 0.00 N ATOM 193 CA PRO A 17 -14.257 0.704 -1.297 1.00 0.00 C ATOM 194 C PRO A 17 -13.679 2.099 -1.505 1.00 0.00 C ATOM 195 O PRO A 17 -14.155 2.878 -2.331 1.00 0.00 O ATOM 196 CB PRO A 17 -13.528 -0.314 -2.178 1.00 0.00 C ATOM 197 CG PRO A 17 -14.367 -0.423 -3.405 1.00 0.00 C ATOM 198 CD PRO A 17 -15.788 -0.225 -2.953 1.00 0.00 C ATOM 0 HA PRO A 17 -14.158 0.512 -0.229 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -12.519 0.021 -2.417 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -13.434 -1.277 -1.676 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -14.083 0.330 -4.140 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -14.240 -1.396 -3.879 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -16.387 0.273 -3.716 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -16.276 -1.175 -2.734 1.00 0.00 H new ATOM 206 N PRO A 18 -12.626 2.424 -0.741 1.00 0.00 N ATOM 207 CA PRO A 18 -11.959 3.727 -0.824 1.00 0.00 C ATOM 208 C PRO A 18 -11.189 3.902 -2.129 1.00 0.00 C ATOM 209 O PRO A 18 -10.569 2.963 -2.625 1.00 0.00 O ATOM 210 CB PRO A 18 -10.997 3.710 0.366 1.00 0.00 C ATOM 211 CG PRO A 18 -10.734 2.266 0.620 1.00 0.00 C ATOM 212 CD PRO A 18 -12.005 1.545 0.264 1.00 0.00 C ATOM 0 HA PRO A 18 -12.672 4.552 -0.802 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -10.076 4.246 0.138 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -11.438 4.192 1.239 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -9.900 1.909 0.015 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -10.467 2.095 1.663 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -11.804 0.552 -0.139 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -12.648 1.412 1.134 1.00 0.00 H new ATOM 220 N ALA A 19 -11.234 5.111 -2.680 1.00 0.00 N ATOM 221 CA ALA A 19 -10.539 5.409 -3.926 1.00 0.00 C ATOM 222 C ALA A 19 -9.049 5.106 -3.809 1.00 0.00 C ATOM 223 O ALA A 19 -8.333 5.694 -2.998 1.00 0.00 O ATOM 224 CB ALA A 19 -10.755 6.864 -4.315 1.00 0.00 C ATOM 0 H ALA A 19 -11.745 5.900 -2.283 1.00 0.00 H new ATOM 0 HA ALA A 19 -10.953 4.770 -4.706 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -10.230 7.073 -5.247 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -11.821 7.051 -4.448 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -10.369 7.512 -3.528 1.00 0.00 H new ATOM 230 N PRO A 20 -8.569 4.166 -4.636 1.00 0.00 N ATOM 231 CA PRO A 20 -7.159 3.763 -4.644 1.00 0.00 C ATOM 232 C PRO A 20 -6.248 4.854 -5.197 1.00 0.00 C ATOM 233 O PRO A 20 -6.643 5.656 -6.043 1.00 0.00 O ATOM 234 CB PRO A 20 -7.145 2.539 -5.563 1.00 0.00 C ATOM 235 CG PRO A 20 -8.324 2.721 -6.455 1.00 0.00 C ATOM 236 CD PRO A 20 -9.365 3.424 -5.628 1.00 0.00 C ATOM 0 HA PRO A 20 -6.787 3.563 -3.639 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -6.220 2.485 -6.136 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -7.220 1.614 -4.991 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -8.061 3.310 -7.334 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -8.694 1.760 -6.814 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -9.976 4.093 -6.235 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -10.044 2.717 -5.151 1.00 0.00 H new ATOM 244 N PRO A 21 -5.000 4.887 -4.709 1.00 0.00 N ATOM 245 CA PRO A 21 -4.006 5.875 -5.141 1.00 0.00 C ATOM 246 C PRO A 21 -3.544 5.643 -6.575 1.00 0.00 C ATOM 247 O PRO A 21 -3.867 4.622 -7.183 1.00 0.00 O ATOM 248 CB PRO A 21 -2.847 5.662 -4.164 1.00 0.00 C ATOM 249 CG PRO A 21 -2.985 4.249 -3.714 1.00 0.00 C ATOM 250 CD PRO A 21 -4.461 3.962 -3.697 1.00 0.00 C ATOM 0 HA PRO A 21 -4.408 6.888 -5.133 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -1.885 5.831 -4.648 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -2.906 6.353 -3.323 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -2.463 3.571 -4.390 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -2.549 4.110 -2.725 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -4.671 2.923 -3.950 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -4.895 4.145 -2.714 1.00 0.00 H new ATOM 258 N GLN A 22 -2.787 6.596 -7.110 1.00 0.00 N ATOM 259 CA GLN A 22 -2.281 6.494 -8.473 1.00 0.00 C ATOM 260 C GLN A 22 -0.863 7.047 -8.571 1.00 0.00 C ATOM 261 O GLN A 22 -0.321 7.568 -7.596 1.00 0.00 O ATOM 262 CB GLN A 22 -3.201 7.244 -9.438 1.00 0.00 C ATOM 263 CG GLN A 22 -4.563 6.592 -9.611 1.00 0.00 C ATOM 264 CD GLN A 22 -5.211 6.936 -10.938 1.00 0.00 C ATOM 265 OE1 GLN A 22 -5.747 8.030 -11.115 1.00 0.00 O ATOM 266 NE2 GLN A 22 -5.165 6.001 -11.879 1.00 0.00 N ATOM 0 H GLN A 22 -2.511 7.447 -6.620 1.00 0.00 H new ATOM 0 HA GLN A 22 -2.259 5.439 -8.747 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -3.339 8.263 -9.077 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -2.714 7.313 -10.411 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -4.456 5.510 -9.533 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -5.218 6.907 -8.799 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -4.710 5.108 -11.689 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -5.584 6.176 -12.792 1.00 0.00 H new ATOM 275 N ASP A 23 -0.268 6.929 -9.752 1.00 0.00 N ATOM 276 CA ASP A 23 1.088 7.418 -9.977 1.00 0.00 C ATOM 277 C ASP A 23 2.083 6.693 -9.077 1.00 0.00 C ATOM 278 O ASP A 23 3.059 7.282 -8.612 1.00 0.00 O ATOM 279 CB ASP A 23 1.158 8.925 -9.726 1.00 0.00 C ATOM 280 CG ASP A 23 0.874 9.734 -10.976 1.00 0.00 C ATOM 281 OD1 ASP A 23 1.482 9.436 -12.025 1.00 0.00 O ATOM 282 OD2 ASP A 23 0.046 10.666 -10.905 1.00 0.00 O ATOM 0 H ASP A 23 -0.702 6.499 -10.569 1.00 0.00 H new ATOM 0 HA ASP A 23 1.352 7.218 -11.015 1.00 0.00 H new ATOM 0 HB2 ASP A 23 0.440 9.195 -8.951 1.00 0.00 H new ATOM 0 HB3 ASP A 23 2.147 9.182 -9.348 1.00 0.00 H new ATOM 287 N VAL A 24 1.829 5.411 -8.834 1.00 0.00 N ATOM 288 CA VAL A 24 2.703 4.605 -7.990 1.00 0.00 C ATOM 289 C VAL A 24 4.054 4.376 -8.658 1.00 0.00 C ATOM 290 O VAL A 24 4.125 3.946 -9.810 1.00 0.00 O ATOM 291 CB VAL A 24 2.066 3.241 -7.663 1.00 0.00 C ATOM 292 CG1 VAL A 24 3.002 2.406 -6.803 1.00 0.00 C ATOM 293 CG2 VAL A 24 0.723 3.432 -6.974 1.00 0.00 C ATOM 0 H VAL A 24 1.025 4.908 -9.210 1.00 0.00 H new ATOM 0 HA VAL A 24 2.849 5.161 -7.064 1.00 0.00 H new ATOM 0 HB VAL A 24 1.896 2.706 -8.597 1.00 0.00 H new ATOM 0 HG11 VAL A 24 2.535 1.446 -6.583 1.00 0.00 H new ATOM 0 HG12 VAL A 24 3.937 2.240 -7.338 1.00 0.00 H new ATOM 0 HG13 VAL A 24 3.206 2.933 -5.871 1.00 0.00 H new ATOM 0 HG21 VAL A 24 0.287 2.458 -6.750 1.00 0.00 H new ATOM 0 HG22 VAL A 24 0.865 3.987 -6.047 1.00 0.00 H new ATOM 0 HG23 VAL A 24 0.053 3.987 -7.630 1.00 0.00 H new ATOM 303 N THR A 25 5.126 4.664 -7.926 1.00 0.00 N ATOM 304 CA THR A 25 6.476 4.490 -8.447 1.00 0.00 C ATOM 305 C THR A 25 7.449 4.108 -7.337 1.00 0.00 C ATOM 306 O THR A 25 7.108 4.155 -6.155 1.00 0.00 O ATOM 307 CB THR A 25 6.981 5.771 -9.138 1.00 0.00 C ATOM 308 OG1 THR A 25 8.411 5.757 -9.210 1.00 0.00 O ATOM 309 CG2 THR A 25 6.518 7.010 -8.386 1.00 0.00 C ATOM 0 H THR A 25 5.085 5.019 -6.971 1.00 0.00 H new ATOM 0 HA THR A 25 6.430 3.684 -9.180 1.00 0.00 H new ATOM 0 HB THR A 25 6.567 5.801 -10.146 1.00 0.00 H new ATOM 0 HG1 THR A 25 8.724 6.574 -9.652 1.00 0.00 H new ATOM 0 HG21 THR A 25 6.887 7.902 -8.893 1.00 0.00 H new ATOM 0 HG22 THR A 25 5.429 7.033 -8.358 1.00 0.00 H new ATOM 0 HG23 THR A 25 6.907 6.984 -7.368 1.00 0.00 H new ATOM 317 N VAL A 26 8.662 3.729 -7.725 1.00 0.00 N ATOM 318 CA VAL A 26 9.686 3.340 -6.762 1.00 0.00 C ATOM 319 C VAL A 26 10.946 4.182 -6.929 1.00 0.00 C ATOM 320 O VAL A 26 11.648 4.072 -7.933 1.00 0.00 O ATOM 321 CB VAL A 26 10.054 1.851 -6.905 1.00 0.00 C ATOM 322 CG1 VAL A 26 11.252 1.511 -6.031 1.00 0.00 C ATOM 323 CG2 VAL A 26 8.862 0.972 -6.556 1.00 0.00 C ATOM 0 H VAL A 26 8.960 3.683 -8.699 1.00 0.00 H new ATOM 0 HA VAL A 26 9.268 3.510 -5.770 1.00 0.00 H new ATOM 0 HB VAL A 26 10.326 1.659 -7.943 1.00 0.00 H new ATOM 0 HG11 VAL A 26 11.498 0.455 -6.145 1.00 0.00 H new ATOM 0 HG12 VAL A 26 12.106 2.117 -6.333 1.00 0.00 H new ATOM 0 HG13 VAL A 26 11.012 1.717 -4.988 1.00 0.00 H new ATOM 0 HG21 VAL A 26 9.140 -0.077 -6.662 1.00 0.00 H new ATOM 0 HG22 VAL A 26 8.557 1.164 -5.527 1.00 0.00 H new ATOM 0 HG23 VAL A 26 8.034 1.198 -7.228 1.00 0.00 H new ATOM 333 N GLN A 27 11.225 5.021 -5.937 1.00 0.00 N ATOM 334 CA GLN A 27 12.401 5.882 -5.974 1.00 0.00 C ATOM 335 C GLN A 27 13.598 5.197 -5.324 1.00 0.00 C ATOM 336 O GLN A 27 14.502 4.720 -6.011 1.00 0.00 O ATOM 337 CB GLN A 27 12.111 7.208 -5.268 1.00 0.00 C ATOM 338 CG GLN A 27 10.924 7.960 -5.849 1.00 0.00 C ATOM 339 CD GLN A 27 11.325 8.925 -6.947 1.00 0.00 C ATOM 340 OE1 GLN A 27 12.118 9.841 -6.725 1.00 0.00 O ATOM 341 NE2 GLN A 27 10.779 8.725 -8.140 1.00 0.00 N ATOM 0 H GLN A 27 10.653 5.123 -5.098 1.00 0.00 H new ATOM 0 HA GLN A 27 12.642 6.080 -7.018 1.00 0.00 H new ATOM 0 HB2 GLN A 27 11.926 7.015 -4.211 1.00 0.00 H new ATOM 0 HB3 GLN A 27 12.996 7.842 -5.326 1.00 0.00 H new ATOM 0 HG2 GLN A 27 10.204 7.244 -6.245 1.00 0.00 H new ATOM 0 HG3 GLN A 27 10.422 8.510 -5.053 1.00 0.00 H new ATOM 0 HE21 GLN A 27 10.127 7.953 -8.279 1.00 0.00 H new ATOM 0 HE22 GLN A 27 11.012 9.343 -8.917 1.00 0.00 H new ATOM 350 N ALA A 28 13.599 5.153 -3.996 1.00 0.00 N ATOM 351 CA ALA A 28 14.684 4.524 -3.253 1.00 0.00 C ATOM 352 C ALA A 28 14.398 4.528 -1.755 1.00 0.00 C ATOM 353 O ALA A 28 13.983 5.541 -1.195 1.00 0.00 O ATOM 354 CB ALA A 28 16.000 5.231 -3.542 1.00 0.00 C ATOM 0 H ALA A 28 12.860 5.546 -3.412 1.00 0.00 H new ATOM 0 HA ALA A 28 14.761 3.487 -3.579 1.00 0.00 H new ATOM 0 HB1 ALA A 28 16.802 4.751 -2.981 1.00 0.00 H new ATOM 0 HB2 ALA A 28 16.218 5.172 -4.608 1.00 0.00 H new ATOM 0 HB3 ALA A 28 15.924 6.277 -3.244 1.00 0.00 H new ATOM 360 N GLY A 29 14.623 3.386 -1.112 1.00 0.00 N ATOM 361 CA GLY A 29 14.382 3.279 0.316 1.00 0.00 C ATOM 362 C GLY A 29 15.575 3.724 1.139 1.00 0.00 C ATOM 363 O GLY A 29 16.722 3.469 0.772 1.00 0.00 O ATOM 0 H GLY A 29 14.968 2.534 -1.554 1.00 0.00 H new ATOM 0 HA2 GLY A 29 13.515 3.884 0.582 1.00 0.00 H new ATOM 0 HA3 GLY A 29 14.138 2.246 0.564 1.00 0.00 H new ATOM 367 N VAL A 30 15.305 4.392 2.256 1.00 0.00 N ATOM 368 CA VAL A 30 16.365 4.873 3.134 1.00 0.00 C ATOM 369 C VAL A 30 17.513 3.873 3.210 1.00 0.00 C ATOM 370 O VAL A 30 18.664 4.247 3.435 1.00 0.00 O ATOM 371 CB VAL A 30 15.837 5.142 4.556 1.00 0.00 C ATOM 372 CG1 VAL A 30 16.963 5.617 5.462 1.00 0.00 C ATOM 373 CG2 VAL A 30 14.705 6.157 4.521 1.00 0.00 C ATOM 0 H VAL A 30 14.361 4.612 2.574 1.00 0.00 H new ATOM 0 HA VAL A 30 16.730 5.807 2.707 1.00 0.00 H new ATOM 0 HB VAL A 30 15.445 4.210 4.962 1.00 0.00 H new ATOM 0 HG11 VAL A 30 16.572 5.802 6.462 1.00 0.00 H new ATOM 0 HG12 VAL A 30 17.738 4.852 5.511 1.00 0.00 H new ATOM 0 HG13 VAL A 30 17.388 6.538 5.062 1.00 0.00 H new ATOM 0 HG21 VAL A 30 14.344 6.335 5.534 1.00 0.00 H new ATOM 0 HG22 VAL A 30 15.068 7.093 4.096 1.00 0.00 H new ATOM 0 HG23 VAL A 30 13.890 5.772 3.908 1.00 0.00 H new ATOM 383 N THR A 31 17.192 2.597 3.020 1.00 0.00 N ATOM 384 CA THR A 31 18.195 1.541 3.068 1.00 0.00 C ATOM 385 C THR A 31 18.229 0.756 1.762 1.00 0.00 C ATOM 386 O THR A 31 17.262 0.727 1.001 1.00 0.00 O ATOM 387 CB THR A 31 17.932 0.568 4.233 1.00 0.00 C ATOM 388 OG1 THR A 31 16.526 0.330 4.364 1.00 0.00 O ATOM 389 CG2 THR A 31 18.482 1.124 5.537 1.00 0.00 C ATOM 0 H THR A 31 16.244 2.270 2.831 1.00 0.00 H new ATOM 0 HA THR A 31 19.158 2.027 3.222 1.00 0.00 H new ATOM 0 HB THR A 31 18.440 -0.371 4.015 1.00 0.00 H new ATOM 0 HG1 THR A 31 16.367 -0.291 5.105 1.00 0.00 H new ATOM 0 HG21 THR A 31 18.284 0.420 6.345 1.00 0.00 H new ATOM 0 HG22 THR A 31 19.557 1.276 5.443 1.00 0.00 H new ATOM 0 HG23 THR A 31 17.999 2.076 5.759 1.00 0.00 H new ATOM 397 N PRO A 32 19.369 0.101 1.494 1.00 0.00 N ATOM 398 CA PRO A 32 19.556 -0.698 0.280 1.00 0.00 C ATOM 399 C PRO A 32 18.713 -1.969 0.287 1.00 0.00 C ATOM 400 O PRO A 32 18.659 -2.695 -0.705 1.00 0.00 O ATOM 401 CB PRO A 32 21.046 -1.045 0.309 1.00 0.00 C ATOM 402 CG PRO A 32 21.421 -0.985 1.749 1.00 0.00 C ATOM 403 CD PRO A 32 20.563 0.091 2.356 1.00 0.00 C ATOM 0 HA PRO A 32 19.248 -0.157 -0.615 1.00 0.00 H new ATOM 0 HB2 PRO A 32 21.230 -2.036 -0.107 1.00 0.00 H new ATOM 0 HB3 PRO A 32 21.629 -0.338 -0.282 1.00 0.00 H new ATOM 0 HG2 PRO A 32 21.248 -1.944 2.238 1.00 0.00 H new ATOM 0 HG3 PRO A 32 22.479 -0.753 1.867 1.00 0.00 H new ATOM 0 HD2 PRO A 32 20.309 -0.134 3.392 1.00 0.00 H new ATOM 0 HD3 PRO A 32 21.068 1.057 2.354 1.00 0.00 H new ATOM 411 N ALA A 33 18.055 -2.231 1.412 1.00 0.00 N ATOM 412 CA ALA A 33 17.213 -3.413 1.547 1.00 0.00 C ATOM 413 C ALA A 33 15.735 -3.041 1.510 1.00 0.00 C ATOM 414 O ALA A 33 14.866 -3.880 1.748 1.00 0.00 O ATOM 415 CB ALA A 33 17.541 -4.151 2.836 1.00 0.00 C ATOM 0 H ALA A 33 18.089 -1.640 2.243 1.00 0.00 H new ATOM 0 HA ALA A 33 17.417 -4.072 0.703 1.00 0.00 H new ATOM 0 HB1 ALA A 33 16.904 -5.031 2.923 1.00 0.00 H new ATOM 0 HB2 ALA A 33 18.586 -4.459 2.823 1.00 0.00 H new ATOM 0 HB3 ALA A 33 17.368 -3.492 3.687 1.00 0.00 H new ATOM 421 N THR A 34 15.455 -1.776 1.210 1.00 0.00 N ATOM 422 CA THR A 34 14.082 -1.292 1.144 1.00 0.00 C ATOM 423 C THR A 34 13.903 -0.300 0.000 1.00 0.00 C ATOM 424 O THR A 34 14.879 0.148 -0.603 1.00 0.00 O ATOM 425 CB THR A 34 13.659 -0.619 2.463 1.00 0.00 C ATOM 426 OG1 THR A 34 14.410 0.584 2.662 1.00 0.00 O ATOM 427 CG2 THR A 34 13.873 -1.557 3.642 1.00 0.00 C ATOM 0 H THR A 34 16.162 -1.068 1.009 1.00 0.00 H new ATOM 0 HA THR A 34 13.449 -2.162 0.970 1.00 0.00 H new ATOM 0 HB THR A 34 12.598 -0.378 2.398 1.00 0.00 H new ATOM 0 HG1 THR A 34 15.210 0.386 3.193 1.00 0.00 H new ATOM 0 HG21 THR A 34 13.567 -1.060 4.563 1.00 0.00 H new ATOM 0 HG22 THR A 34 13.278 -2.459 3.502 1.00 0.00 H new ATOM 0 HG23 THR A 34 14.928 -1.825 3.707 1.00 0.00 H new ATOM 435 N ILE A 35 12.653 0.040 -0.292 1.00 0.00 N ATOM 436 CA ILE A 35 12.347 0.981 -1.362 1.00 0.00 C ATOM 437 C ILE A 35 11.355 2.041 -0.896 1.00 0.00 C ATOM 438 O ILE A 35 10.826 1.966 0.213 1.00 0.00 O ATOM 439 CB ILE A 35 11.772 0.262 -2.597 1.00 0.00 C ATOM 440 CG1 ILE A 35 10.698 -0.743 -2.174 1.00 0.00 C ATOM 441 CG2 ILE A 35 12.882 -0.433 -3.370 1.00 0.00 C ATOM 442 CD1 ILE A 35 9.633 -0.967 -3.225 1.00 0.00 C ATOM 0 H ILE A 35 11.835 -0.322 0.198 1.00 0.00 H new ATOM 0 HA ILE A 35 13.286 1.462 -1.637 1.00 0.00 H new ATOM 0 HB ILE A 35 11.312 1.003 -3.250 1.00 0.00 H new ATOM 0 HG12 ILE A 35 11.174 -1.696 -1.942 1.00 0.00 H new ATOM 0 HG13 ILE A 35 10.224 -0.392 -1.257 1.00 0.00 H new ATOM 0 HG21 ILE A 35 12.460 -0.936 -4.240 1.00 0.00 H new ATOM 0 HG22 ILE A 35 13.614 0.305 -3.698 1.00 0.00 H new ATOM 0 HG23 ILE A 35 13.369 -1.166 -2.727 1.00 0.00 H new ATOM 0 HD11 ILE A 35 8.905 -1.691 -2.857 1.00 0.00 H new ATOM 0 HD12 ILE A 35 9.130 -0.024 -3.440 1.00 0.00 H new ATOM 0 HD13 ILE A 35 10.095 -1.348 -4.136 1.00 0.00 H new ATOM 454 N ARG A 36 11.105 3.027 -1.751 1.00 0.00 N ATOM 455 CA ARG A 36 10.175 4.102 -1.428 1.00 0.00 C ATOM 456 C ARG A 36 9.062 4.189 -2.467 1.00 0.00 C ATOM 457 O ARG A 36 9.243 4.764 -3.540 1.00 0.00 O ATOM 458 CB ARG A 36 10.916 5.438 -1.345 1.00 0.00 C ATOM 459 CG ARG A 36 10.123 6.532 -0.650 1.00 0.00 C ATOM 460 CD ARG A 36 10.815 7.881 -0.765 1.00 0.00 C ATOM 461 NE ARG A 36 10.101 8.927 -0.037 1.00 0.00 N ATOM 462 CZ ARG A 36 10.204 9.110 1.275 1.00 0.00 C ATOM 463 NH1 ARG A 36 10.986 8.321 1.998 1.00 0.00 N ATOM 464 NH2 ARG A 36 9.522 10.083 1.865 1.00 0.00 N ATOM 0 H ARG A 36 11.534 3.104 -2.673 1.00 0.00 H new ATOM 0 HA ARG A 36 9.727 3.882 -0.459 1.00 0.00 H new ATOM 0 HB2 ARG A 36 11.857 5.290 -0.814 1.00 0.00 H new ATOM 0 HB3 ARG A 36 11.167 5.768 -2.353 1.00 0.00 H new ATOM 0 HG2 ARG A 36 9.127 6.595 -1.088 1.00 0.00 H new ATOM 0 HG3 ARG A 36 9.994 6.277 0.402 1.00 0.00 H new ATOM 0 HD2 ARG A 36 11.832 7.801 -0.380 1.00 0.00 H new ATOM 0 HD3 ARG A 36 10.893 8.160 -1.816 1.00 0.00 H new ATOM 0 HE ARG A 36 9.490 9.551 -0.564 1.00 0.00 H new ATOM 0 HH11 ARG A 36 11.511 7.571 1.547 1.00 0.00 H new ATOM 0 HH12 ARG A 36 11.063 8.464 3.005 1.00 0.00 H new ATOM 0 HH21 ARG A 36 8.918 10.691 1.311 1.00 0.00 H new ATOM 0 HH22 ARG A 36 9.601 10.223 2.872 1.00 0.00 H new ATOM 478 N VAL A 37 7.909 3.613 -2.141 1.00 0.00 N ATOM 479 CA VAL A 37 6.765 3.626 -3.045 1.00 0.00 C ATOM 480 C VAL A 37 6.014 4.950 -2.963 1.00 0.00 C ATOM 481 O VAL A 37 5.280 5.201 -2.008 1.00 0.00 O ATOM 482 CB VAL A 37 5.790 2.475 -2.733 1.00 0.00 C ATOM 483 CG1 VAL A 37 4.813 2.277 -3.882 1.00 0.00 C ATOM 484 CG2 VAL A 37 6.555 1.192 -2.446 1.00 0.00 C ATOM 0 H VAL A 37 7.743 3.131 -1.257 1.00 0.00 H new ATOM 0 HA VAL A 37 7.158 3.497 -4.054 1.00 0.00 H new ATOM 0 HB VAL A 37 5.219 2.737 -1.843 1.00 0.00 H new ATOM 0 HG11 VAL A 37 4.132 1.460 -3.644 1.00 0.00 H new ATOM 0 HG12 VAL A 37 4.242 3.192 -4.036 1.00 0.00 H new ATOM 0 HG13 VAL A 37 5.364 2.037 -4.791 1.00 0.00 H new ATOM 0 HG21 VAL A 37 5.851 0.389 -2.228 1.00 0.00 H new ATOM 0 HG22 VAL A 37 7.153 0.923 -3.316 1.00 0.00 H new ATOM 0 HG23 VAL A 37 7.210 1.343 -1.588 1.00 0.00 H new ATOM 494 N SER A 38 6.203 5.795 -3.972 1.00 0.00 N ATOM 495 CA SER A 38 5.546 7.096 -4.013 1.00 0.00 C ATOM 496 C SER A 38 4.286 7.042 -4.871 1.00 0.00 C ATOM 497 O SER A 38 4.252 6.366 -5.900 1.00 0.00 O ATOM 498 CB SER A 38 6.503 8.158 -4.558 1.00 0.00 C ATOM 499 OG SER A 38 7.758 8.098 -3.902 1.00 0.00 O ATOM 0 H SER A 38 6.806 5.602 -4.772 1.00 0.00 H new ATOM 0 HA SER A 38 5.260 7.363 -2.996 1.00 0.00 H new ATOM 0 HB2 SER A 38 6.642 8.012 -5.629 1.00 0.00 H new ATOM 0 HB3 SER A 38 6.067 9.148 -4.425 1.00 0.00 H new ATOM 0 HG SER A 38 7.667 8.443 -2.989 1.00 0.00 H new ATOM 505 N TRP A 39 3.253 7.757 -4.441 1.00 0.00 N ATOM 506 CA TRP A 39 1.990 7.791 -5.169 1.00 0.00 C ATOM 507 C TRP A 39 1.275 9.121 -4.957 1.00 0.00 C ATOM 508 O TRP A 39 1.790 10.013 -4.283 1.00 0.00 O ATOM 509 CB TRP A 39 1.090 6.637 -4.724 1.00 0.00 C ATOM 510 CG TRP A 39 0.758 6.672 -3.263 1.00 0.00 C ATOM 511 CD1 TRP A 39 -0.136 7.500 -2.645 1.00 0.00 C ATOM 512 CD2 TRP A 39 1.317 5.845 -2.237 1.00 0.00 C ATOM 513 NE1 TRP A 39 -0.166 7.237 -1.297 1.00 0.00 N ATOM 514 CE2 TRP A 39 0.716 6.225 -1.021 1.00 0.00 C ATOM 515 CE3 TRP A 39 2.266 4.818 -2.227 1.00 0.00 C ATOM 516 CZ2 TRP A 39 1.034 5.615 0.189 1.00 0.00 C ATOM 517 CZ3 TRP A 39 2.581 4.214 -1.025 1.00 0.00 C ATOM 518 CH2 TRP A 39 1.966 4.613 0.169 1.00 0.00 C ATOM 0 H TRP A 39 3.265 8.321 -3.591 1.00 0.00 H new ATOM 0 HA TRP A 39 2.209 7.683 -6.231 1.00 0.00 H new ATOM 0 HB2 TRP A 39 0.165 6.664 -5.300 1.00 0.00 H new ATOM 0 HB3 TRP A 39 1.582 5.692 -4.955 1.00 0.00 H new ATOM 0 HD1 TRP A 39 -0.732 8.251 -3.143 1.00 0.00 H new ATOM 0 HE1 TRP A 39 -0.750 7.717 -0.612 1.00 0.00 H new ATOM 0 HE3 TRP A 39 2.744 4.503 -3.143 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 0.562 5.921 1.111 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 3.314 3.421 -1.005 1.00 0.00 H new ATOM 0 HH2 TRP A 39 2.233 4.120 1.092 1.00 0.00 H new ATOM 529 N ARG A 40 0.086 9.247 -5.537 1.00 0.00 N ATOM 530 CA ARG A 40 -0.699 10.469 -5.412 1.00 0.00 C ATOM 531 C ARG A 40 -2.014 10.199 -4.685 1.00 0.00 C ATOM 532 O ARG A 40 -2.938 9.593 -5.227 1.00 0.00 O ATOM 533 CB ARG A 40 -0.981 11.064 -6.793 1.00 0.00 C ATOM 534 CG ARG A 40 0.059 12.077 -7.243 1.00 0.00 C ATOM 535 CD ARG A 40 1.429 11.436 -7.402 1.00 0.00 C ATOM 536 NE ARG A 40 2.491 12.433 -7.503 1.00 0.00 N ATOM 537 CZ ARG A 40 3.771 12.171 -7.263 1.00 0.00 C ATOM 538 NH1 ARG A 40 4.146 10.949 -6.909 1.00 0.00 N ATOM 539 NH2 ARG A 40 4.679 13.131 -7.377 1.00 0.00 N ATOM 0 H ARG A 40 -0.355 8.518 -6.098 1.00 0.00 H new ATOM 0 HA ARG A 40 -0.120 11.184 -4.827 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -1.030 10.257 -7.524 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -1.960 11.542 -6.780 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -0.249 12.520 -8.190 1.00 0.00 H new ATOM 0 HG3 ARG A 40 0.117 12.887 -6.516 1.00 0.00 H new ATOM 0 HD2 ARG A 40 1.625 10.783 -6.552 1.00 0.00 H new ATOM 0 HD3 ARG A 40 1.435 10.809 -8.293 1.00 0.00 H new ATOM 0 HE ARG A 40 2.236 13.383 -7.773 1.00 0.00 H new ATOM 0 HH11 ARG A 40 3.451 10.208 -6.821 1.00 0.00 H new ATOM 0 HH12 ARG A 40 5.129 10.750 -6.725 1.00 0.00 H new ATOM 0 HH21 ARG A 40 4.395 14.072 -7.649 1.00 0.00 H new ATOM 0 HH22 ARG A 40 5.661 12.928 -7.192 1.00 0.00 H new ATOM 553 N PRO A 41 -2.101 10.659 -3.428 1.00 0.00 N ATOM 554 CA PRO A 41 -3.297 10.478 -2.600 1.00 0.00 C ATOM 555 C PRO A 41 -4.473 11.315 -3.091 1.00 0.00 C ATOM 556 O PRO A 41 -4.371 12.529 -3.271 1.00 0.00 O ATOM 557 CB PRO A 41 -2.845 10.952 -1.216 1.00 0.00 C ATOM 558 CG PRO A 41 -1.731 11.903 -1.486 1.00 0.00 C ATOM 559 CD PRO A 41 -1.038 11.390 -2.718 1.00 0.00 C ATOM 0 HA PRO A 41 -3.653 9.448 -2.618 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -3.659 11.438 -0.679 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -2.512 10.116 -0.601 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -2.110 12.913 -1.643 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -1.043 11.948 -0.642 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -0.638 12.204 -3.322 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -0.201 10.738 -2.466 1.00 0.00 H new ATOM 567 N PRO A 42 -5.619 10.654 -3.315 1.00 0.00 N ATOM 568 CA PRO A 42 -6.837 11.318 -3.787 1.00 0.00 C ATOM 569 C PRO A 42 -7.452 12.224 -2.726 1.00 0.00 C ATOM 570 O PRO A 42 -7.259 12.015 -1.529 1.00 0.00 O ATOM 571 CB PRO A 42 -7.776 10.152 -4.105 1.00 0.00 C ATOM 572 CG PRO A 42 -7.302 9.037 -3.238 1.00 0.00 C ATOM 573 CD PRO A 42 -5.813 9.207 -3.122 1.00 0.00 C ATOM 0 HA PRO A 42 -6.642 11.970 -4.638 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -8.813 10.408 -3.889 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -7.728 9.881 -5.160 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -7.777 9.076 -2.258 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -7.552 8.070 -3.675 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -5.446 8.878 -2.150 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -5.282 8.626 -3.876 1.00 0.00 H new ATOM 581 N VAL A 43 -8.196 13.231 -3.173 1.00 0.00 N ATOM 582 CA VAL A 43 -8.841 14.168 -2.262 1.00 0.00 C ATOM 583 C VAL A 43 -9.817 13.450 -1.336 1.00 0.00 C ATOM 584 O VAL A 43 -10.539 12.545 -1.758 1.00 0.00 O ATOM 585 CB VAL A 43 -9.596 15.269 -3.030 1.00 0.00 C ATOM 586 CG1 VAL A 43 -10.286 16.219 -2.063 1.00 0.00 C ATOM 587 CG2 VAL A 43 -8.645 16.026 -3.946 1.00 0.00 C ATOM 0 H VAL A 43 -8.367 13.418 -4.161 1.00 0.00 H new ATOM 0 HA VAL A 43 -8.050 14.627 -1.668 1.00 0.00 H new ATOM 0 HB VAL A 43 -10.362 14.798 -3.646 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -10.814 16.990 -2.625 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -10.998 15.663 -1.452 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -9.542 16.686 -1.418 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -9.195 16.800 -4.481 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -7.856 16.486 -3.351 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -8.202 15.334 -4.663 1.00 0.00 H new ATOM 597 N LEU A 44 -9.835 13.860 -0.073 1.00 0.00 N ATOM 598 CA LEU A 44 -10.724 13.257 0.915 1.00 0.00 C ATOM 599 C LEU A 44 -11.788 14.250 1.369 1.00 0.00 C ATOM 600 O LEU A 44 -11.481 15.394 1.708 1.00 0.00 O ATOM 601 CB LEU A 44 -9.920 12.765 2.120 1.00 0.00 C ATOM 602 CG LEU A 44 -8.995 11.574 1.870 1.00 0.00 C ATOM 603 CD1 LEU A 44 -8.196 11.246 3.122 1.00 0.00 C ATOM 604 CD2 LEU A 44 -9.797 10.363 1.414 1.00 0.00 C ATOM 0 H LEU A 44 -9.244 14.607 0.292 1.00 0.00 H new ATOM 0 HA LEU A 44 -11.223 12.408 0.448 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -9.319 13.594 2.493 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -10.619 12.496 2.912 1.00 0.00 H new ATOM 0 HG LEU A 44 -8.296 11.841 1.078 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -7.543 10.396 2.925 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -7.593 12.109 3.405 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -8.879 10.998 3.935 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -9.123 9.524 1.241 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -10.520 10.094 2.184 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -10.324 10.602 0.490 1.00 0.00 H new ATOM 616 N THR A 45 -13.041 13.806 1.376 1.00 0.00 N ATOM 617 CA THR A 45 -14.151 14.656 1.789 1.00 0.00 C ATOM 618 C THR A 45 -13.751 15.554 2.954 1.00 0.00 C ATOM 619 O THR A 45 -12.808 15.270 3.694 1.00 0.00 O ATOM 620 CB THR A 45 -15.377 13.818 2.199 1.00 0.00 C ATOM 621 OG1 THR A 45 -14.998 12.841 3.176 1.00 0.00 O ATOM 622 CG2 THR A 45 -15.987 13.124 0.991 1.00 0.00 C ATOM 0 H THR A 45 -13.313 12.862 1.100 1.00 0.00 H new ATOM 0 HA THR A 45 -14.413 15.274 0.930 1.00 0.00 H new ATOM 0 HB THR A 45 -16.122 14.489 2.627 1.00 0.00 H new ATOM 0 HG1 THR A 45 -15.459 13.027 4.021 1.00 0.00 H new ATOM 0 HG21 THR A 45 -16.851 12.538 1.306 1.00 0.00 H new ATOM 0 HG22 THR A 45 -16.301 13.871 0.262 1.00 0.00 H new ATOM 0 HG23 THR A 45 -15.247 12.464 0.538 1.00 0.00 H new ATOM 630 N PRO A 46 -14.483 16.665 3.124 1.00 0.00 N ATOM 631 CA PRO A 46 -14.223 17.627 4.199 1.00 0.00 C ATOM 632 C PRO A 46 -14.573 17.069 5.574 1.00 0.00 C ATOM 633 O PRO A 46 -14.692 17.814 6.547 1.00 0.00 O ATOM 634 CB PRO A 46 -15.139 18.803 3.851 1.00 0.00 C ATOM 635 CG PRO A 46 -16.241 18.201 3.048 1.00 0.00 C ATOM 636 CD PRO A 46 -15.621 17.067 2.280 1.00 0.00 C ATOM 0 HA PRO A 46 -13.168 17.894 4.261 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -15.522 19.286 4.750 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -14.606 19.565 3.283 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -17.043 17.843 3.693 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -16.679 18.936 2.373 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -16.324 16.247 2.137 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -15.294 17.384 1.289 1.00 0.00 H new ATOM 644 N THR A 47 -14.736 15.752 5.649 1.00 0.00 N ATOM 645 CA THR A 47 -15.073 15.093 6.904 1.00 0.00 C ATOM 646 C THR A 47 -14.098 13.963 7.211 1.00 0.00 C ATOM 647 O THR A 47 -14.011 13.495 8.346 1.00 0.00 O ATOM 648 CB THR A 47 -16.505 14.527 6.876 1.00 0.00 C ATOM 649 OG1 THR A 47 -16.654 13.628 5.771 1.00 0.00 O ATOM 650 CG2 THR A 47 -17.528 15.647 6.766 1.00 0.00 C ATOM 0 H THR A 47 -14.640 15.120 4.854 1.00 0.00 H new ATOM 0 HA THR A 47 -15.005 15.850 7.685 1.00 0.00 H new ATOM 0 HB THR A 47 -16.678 13.989 7.808 1.00 0.00 H new ATOM 0 HG1 THR A 47 -17.567 13.271 5.761 1.00 0.00 H new ATOM 0 HG21 THR A 47 -18.532 15.222 6.748 1.00 0.00 H new ATOM 0 HG22 THR A 47 -17.431 16.314 7.623 1.00 0.00 H new ATOM 0 HG23 THR A 47 -17.355 16.209 5.848 1.00 0.00 H new ATOM 658 N GLY A 48 -13.363 13.528 6.192 1.00 0.00 N ATOM 659 CA GLY A 48 -12.402 12.456 6.374 1.00 0.00 C ATOM 660 C GLY A 48 -12.861 11.154 5.747 1.00 0.00 C ATOM 661 O GLY A 48 -12.955 10.129 6.424 1.00 0.00 O ATOM 0 H GLY A 48 -13.416 13.899 5.243 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -11.448 12.750 5.937 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -12.231 12.302 7.439 1.00 0.00 H new ATOM 665 N LEU A 49 -13.147 11.193 4.451 1.00 0.00 N ATOM 666 CA LEU A 49 -13.600 10.007 3.731 1.00 0.00 C ATOM 667 C LEU A 49 -13.300 10.126 2.241 1.00 0.00 C ATOM 668 O LEU A 49 -13.509 11.179 1.637 1.00 0.00 O ATOM 669 CB LEU A 49 -15.100 9.798 3.946 1.00 0.00 C ATOM 670 CG LEU A 49 -15.598 9.932 5.385 1.00 0.00 C ATOM 671 CD1 LEU A 49 -17.113 10.057 5.417 1.00 0.00 C ATOM 672 CD2 LEU A 49 -15.141 8.745 6.220 1.00 0.00 C ATOM 0 H LEU A 49 -13.074 12.033 3.876 1.00 0.00 H new ATOM 0 HA LEU A 49 -13.059 9.146 4.123 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -15.639 10.517 3.328 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -15.364 8.805 3.583 1.00 0.00 H new ATOM 0 HG LEU A 49 -15.171 10.839 5.814 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -17.449 10.151 6.450 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -17.417 10.940 4.855 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -17.561 9.170 4.970 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -15.505 8.857 7.241 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -15.539 7.825 5.792 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -14.052 8.702 6.225 1.00 0.00 H new ATOM 684 N SER A 50 -12.810 9.040 1.652 1.00 0.00 N ATOM 685 CA SER A 50 -12.479 9.023 0.232 1.00 0.00 C ATOM 686 C SER A 50 -13.702 8.664 -0.607 1.00 0.00 C ATOM 687 O SER A 50 -14.283 9.518 -1.274 1.00 0.00 O ATOM 688 CB SER A 50 -11.350 8.027 -0.039 1.00 0.00 C ATOM 689 OG SER A 50 -10.889 8.129 -1.375 1.00 0.00 O ATOM 0 H SER A 50 -12.633 8.160 2.136 1.00 0.00 H new ATOM 0 HA SER A 50 -12.147 10.022 -0.050 1.00 0.00 H new ATOM 0 HB2 SER A 50 -10.525 8.212 0.649 1.00 0.00 H new ATOM 0 HB3 SER A 50 -11.702 7.013 0.151 1.00 0.00 H new ATOM 0 HG SER A 50 -9.939 7.890 -1.413 1.00 0.00 H new ATOM 695 N ASN A 51 -14.086 7.392 -0.567 1.00 0.00 N ATOM 696 CA ASN A 51 -15.239 6.918 -1.323 1.00 0.00 C ATOM 697 C ASN A 51 -16.383 6.537 -0.388 1.00 0.00 C ATOM 698 O ASN A 51 -17.307 5.824 -0.779 1.00 0.00 O ATOM 699 CB ASN A 51 -14.850 5.716 -2.187 1.00 0.00 C ATOM 700 CG ASN A 51 -15.948 5.320 -3.155 1.00 0.00 C ATOM 701 OD1 ASN A 51 -17.008 5.944 -3.197 1.00 0.00 O ATOM 702 ND2 ASN A 51 -15.698 4.278 -3.938 1.00 0.00 N ATOM 0 H ASN A 51 -13.616 6.672 -0.019 1.00 0.00 H new ATOM 0 HA ASN A 51 -15.576 7.728 -1.970 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -13.944 5.952 -2.746 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -14.615 4.869 -1.542 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -16.399 3.965 -4.609 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -14.805 3.791 -3.869 1.00 0.00 H new ATOM 709 N GLY A 52 -16.314 7.018 0.850 1.00 0.00 N ATOM 710 CA GLY A 52 -17.350 6.718 1.821 1.00 0.00 C ATOM 711 C GLY A 52 -16.802 6.045 3.064 1.00 0.00 C ATOM 712 O GLY A 52 -17.447 6.043 4.112 1.00 0.00 O ATOM 0 H GLY A 52 -15.559 7.610 1.197 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -17.856 7.641 2.104 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -18.098 6.072 1.362 1.00 0.00 H new ATOM 716 N ALA A 53 -15.609 5.473 2.948 1.00 0.00 N ATOM 717 CA ALA A 53 -14.974 4.794 4.071 1.00 0.00 C ATOM 718 C ALA A 53 -13.983 5.713 4.778 1.00 0.00 C ATOM 719 O ALA A 53 -13.577 6.739 4.235 1.00 0.00 O ATOM 720 CB ALA A 53 -14.277 3.528 3.597 1.00 0.00 C ATOM 0 H ALA A 53 -15.062 5.466 2.087 1.00 0.00 H new ATOM 0 HA ALA A 53 -15.751 4.522 4.785 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -13.807 3.032 4.446 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -15.008 2.858 3.144 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -13.516 3.786 2.861 1.00 0.00 H new ATOM 726 N ASN A 54 -13.598 5.337 5.993 1.00 0.00 N ATOM 727 CA ASN A 54 -12.656 6.128 6.776 1.00 0.00 C ATOM 728 C ASN A 54 -11.221 5.679 6.515 1.00 0.00 C ATOM 729 O ASN A 54 -10.740 4.720 7.119 1.00 0.00 O ATOM 730 CB ASN A 54 -12.975 6.012 8.268 1.00 0.00 C ATOM 731 CG ASN A 54 -12.597 7.262 9.039 1.00 0.00 C ATOM 732 OD1 ASN A 54 -11.600 7.916 8.732 1.00 0.00 O ATOM 733 ND2 ASN A 54 -13.393 7.599 10.047 1.00 0.00 N ATOM 0 H ASN A 54 -13.924 4.489 6.457 1.00 0.00 H new ATOM 0 HA ASN A 54 -12.754 7.170 6.471 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -14.040 5.818 8.395 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -12.443 5.157 8.685 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -13.189 8.430 10.603 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -14.209 7.027 10.266 1.00 0.00 H new ATOM 740 N VAL A 55 -10.542 6.380 5.613 1.00 0.00 N ATOM 741 CA VAL A 55 -9.162 6.055 5.273 1.00 0.00 C ATOM 742 C VAL A 55 -8.224 6.360 6.436 1.00 0.00 C ATOM 743 O VAL A 55 -8.050 7.516 6.822 1.00 0.00 O ATOM 744 CB VAL A 55 -8.691 6.834 4.031 1.00 0.00 C ATOM 745 CG1 VAL A 55 -7.276 6.427 3.650 1.00 0.00 C ATOM 746 CG2 VAL A 55 -9.649 6.613 2.870 1.00 0.00 C ATOM 0 H VAL A 55 -10.925 7.177 5.104 1.00 0.00 H new ATOM 0 HA VAL A 55 -9.133 4.987 5.055 1.00 0.00 H new ATOM 0 HB VAL A 55 -8.685 7.897 4.271 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -6.960 6.988 2.770 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -6.600 6.641 4.478 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -7.252 5.360 3.428 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -9.301 7.171 2.000 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -9.689 5.551 2.628 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -10.644 6.959 3.149 1.00 0.00 H new ATOM 756 N THR A 56 -7.619 5.314 6.991 1.00 0.00 N ATOM 757 CA THR A 56 -6.698 5.469 8.110 1.00 0.00 C ATOM 758 C THR A 56 -5.265 5.169 7.688 1.00 0.00 C ATOM 759 O THR A 56 -4.352 5.168 8.513 1.00 0.00 O ATOM 760 CB THR A 56 -7.080 4.546 9.283 1.00 0.00 C ATOM 761 OG1 THR A 56 -6.820 3.181 8.937 1.00 0.00 O ATOM 762 CG2 THR A 56 -8.547 4.712 9.647 1.00 0.00 C ATOM 0 H THR A 56 -7.751 4.350 6.683 1.00 0.00 H new ATOM 0 HA THR A 56 -6.768 6.507 8.436 1.00 0.00 H new ATOM 0 HB THR A 56 -6.475 4.823 10.146 1.00 0.00 H new ATOM 0 HG1 THR A 56 -7.064 2.601 9.688 1.00 0.00 H new ATOM 0 HG21 THR A 56 -8.793 4.050 10.477 1.00 0.00 H new ATOM 0 HG22 THR A 56 -8.735 5.745 9.938 1.00 0.00 H new ATOM 0 HG23 THR A 56 -9.166 4.460 8.786 1.00 0.00 H new ATOM 770 N GLY A 57 -5.073 4.916 6.397 1.00 0.00 N ATOM 771 CA GLY A 57 -3.747 4.619 5.888 1.00 0.00 C ATOM 772 C GLY A 57 -3.784 3.780 4.626 1.00 0.00 C ATOM 773 O GLY A 57 -4.858 3.412 4.149 1.00 0.00 O ATOM 0 H GLY A 57 -5.812 4.911 5.694 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -3.222 5.552 5.685 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -3.177 4.093 6.654 1.00 0.00 H new ATOM 777 N TYR A 58 -2.610 3.478 4.084 1.00 0.00 N ATOM 778 CA TYR A 58 -2.513 2.680 2.867 1.00 0.00 C ATOM 779 C TYR A 58 -1.837 1.341 3.146 1.00 0.00 C ATOM 780 O TYR A 58 -1.356 1.094 4.251 1.00 0.00 O ATOM 781 CB TYR A 58 -1.736 3.443 1.793 1.00 0.00 C ATOM 782 CG TYR A 58 -2.432 4.699 1.320 1.00 0.00 C ATOM 783 CD1 TYR A 58 -3.398 4.648 0.322 1.00 0.00 C ATOM 784 CD2 TYR A 58 -2.123 5.937 1.869 1.00 0.00 C ATOM 785 CE1 TYR A 58 -4.035 5.793 -0.114 1.00 0.00 C ATOM 786 CE2 TYR A 58 -2.756 7.087 1.440 1.00 0.00 C ATOM 787 CZ TYR A 58 -3.712 7.010 0.448 1.00 0.00 C ATOM 788 OH TYR A 58 -4.344 8.154 0.017 1.00 0.00 O ATOM 0 H TYR A 58 -1.712 3.773 4.468 1.00 0.00 H new ATOM 0 HA TYR A 58 -3.524 2.488 2.507 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -0.754 3.708 2.186 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -1.571 2.785 0.939 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -3.655 3.697 -0.120 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -1.375 6.001 2.645 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -4.783 5.736 -0.891 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -2.504 8.041 1.879 1.00 0.00 H new ATOM 0 HH TYR A 58 -4.423 8.785 0.763 1.00 0.00 H new ATOM 798 N GLY A 59 -1.803 0.480 2.133 1.00 0.00 N ATOM 799 CA GLY A 59 -1.183 -0.823 2.287 1.00 0.00 C ATOM 800 C GLY A 59 -0.488 -1.288 1.023 1.00 0.00 C ATOM 801 O GLY A 59 -1.091 -1.317 -0.050 1.00 0.00 O ATOM 0 H GLY A 59 -2.194 0.662 1.209 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -0.460 -0.784 3.102 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -1.942 -1.552 2.569 1.00 0.00 H new ATOM 805 N VAL A 60 0.784 -1.651 1.148 1.00 0.00 N ATOM 806 CA VAL A 60 1.562 -2.116 0.006 1.00 0.00 C ATOM 807 C VAL A 60 1.495 -3.634 -0.123 1.00 0.00 C ATOM 808 O VAL A 60 1.593 -4.357 0.869 1.00 0.00 O ATOM 809 CB VAL A 60 3.037 -1.687 0.119 1.00 0.00 C ATOM 810 CG1 VAL A 60 3.803 -2.071 -1.137 1.00 0.00 C ATOM 811 CG2 VAL A 60 3.137 -0.191 0.379 1.00 0.00 C ATOM 0 H VAL A 60 1.298 -1.632 2.029 1.00 0.00 H new ATOM 0 HA VAL A 60 1.125 -1.658 -0.882 1.00 0.00 H new ATOM 0 HB VAL A 60 3.486 -2.211 0.963 1.00 0.00 H new ATOM 0 HG11 VAL A 60 4.843 -1.760 -1.038 1.00 0.00 H new ATOM 0 HG12 VAL A 60 3.759 -3.151 -1.274 1.00 0.00 H new ATOM 0 HG13 VAL A 60 3.357 -1.577 -2.000 1.00 0.00 H new ATOM 0 HG21 VAL A 60 4.186 0.096 0.456 1.00 0.00 H new ATOM 0 HG22 VAL A 60 2.672 0.353 -0.443 1.00 0.00 H new ATOM 0 HG23 VAL A 60 2.625 0.051 1.310 1.00 0.00 H new ATOM 821 N TYR A 61 1.327 -4.111 -1.352 1.00 0.00 N ATOM 822 CA TYR A 61 1.245 -5.543 -1.611 1.00 0.00 C ATOM 823 C TYR A 61 2.123 -5.934 -2.795 1.00 0.00 C ATOM 824 O TYR A 61 2.306 -5.155 -3.731 1.00 0.00 O ATOM 825 CB TYR A 61 -0.205 -5.951 -1.880 1.00 0.00 C ATOM 826 CG TYR A 61 -1.097 -5.853 -0.664 1.00 0.00 C ATOM 827 CD1 TYR A 61 -1.511 -4.619 -0.179 1.00 0.00 C ATOM 828 CD2 TYR A 61 -1.528 -6.995 0.000 1.00 0.00 C ATOM 829 CE1 TYR A 61 -2.326 -4.525 0.932 1.00 0.00 C ATOM 830 CE2 TYR A 61 -2.344 -6.911 1.111 1.00 0.00 C ATOM 831 CZ TYR A 61 -2.740 -5.673 1.574 1.00 0.00 C ATOM 832 OH TYR A 61 -3.553 -5.584 2.680 1.00 0.00 O ATOM 0 H TYR A 61 1.245 -3.527 -2.184 1.00 0.00 H new ATOM 0 HA TYR A 61 1.606 -6.068 -0.726 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -0.611 -5.319 -2.670 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -0.222 -6.976 -2.251 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -1.190 -3.717 -0.679 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -1.219 -7.966 -0.359 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -2.638 -3.557 1.296 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -2.670 -7.809 1.614 1.00 0.00 H new ATOM 0 HH TYR A 61 -3.795 -4.647 2.834 1.00 0.00 H new ATOM 842 N ALA A 62 2.665 -7.146 -2.747 1.00 0.00 N ATOM 843 CA ALA A 62 3.523 -7.643 -3.816 1.00 0.00 C ATOM 844 C ALA A 62 2.883 -8.832 -4.526 1.00 0.00 C ATOM 845 O ALA A 62 2.502 -8.740 -5.693 1.00 0.00 O ATOM 846 CB ALA A 62 4.887 -8.028 -3.263 1.00 0.00 C ATOM 0 H ALA A 62 2.525 -7.802 -1.979 1.00 0.00 H new ATOM 0 HA ALA A 62 3.652 -6.844 -4.546 1.00 0.00 H new ATOM 0 HB1 ALA A 62 5.517 -8.397 -4.072 1.00 0.00 H new ATOM 0 HB2 ALA A 62 5.355 -7.155 -2.809 1.00 0.00 H new ATOM 0 HB3 ALA A 62 4.768 -8.808 -2.511 1.00 0.00 H new ATOM 852 N LYS A 63 2.769 -9.948 -3.814 1.00 0.00 N ATOM 853 CA LYS A 63 2.174 -11.156 -4.374 1.00 0.00 C ATOM 854 C LYS A 63 1.022 -11.649 -3.505 1.00 0.00 C ATOM 855 O LYS A 63 0.910 -12.842 -3.224 1.00 0.00 O ATOM 856 CB LYS A 63 3.232 -12.254 -4.509 1.00 0.00 C ATOM 857 CG LYS A 63 4.446 -11.833 -5.320 1.00 0.00 C ATOM 858 CD LYS A 63 4.277 -12.171 -6.791 1.00 0.00 C ATOM 859 CE LYS A 63 3.674 -11.008 -7.564 1.00 0.00 C ATOM 860 NZ LYS A 63 3.358 -11.381 -8.971 1.00 0.00 N ATOM 0 H LYS A 63 3.081 -10.041 -2.847 1.00 0.00 H new ATOM 0 HA LYS A 63 1.782 -10.914 -5.362 1.00 0.00 H new ATOM 0 HB2 LYS A 63 3.558 -12.557 -3.514 1.00 0.00 H new ATOM 0 HB3 LYS A 63 2.779 -13.128 -4.976 1.00 0.00 H new ATOM 0 HG2 LYS A 63 4.606 -10.761 -5.208 1.00 0.00 H new ATOM 0 HG3 LYS A 63 5.335 -12.330 -4.931 1.00 0.00 H new ATOM 0 HD2 LYS A 63 5.245 -12.431 -7.219 1.00 0.00 H new ATOM 0 HD3 LYS A 63 3.637 -13.048 -6.893 1.00 0.00 H new ATOM 0 HE2 LYS A 63 2.765 -10.672 -7.065 1.00 0.00 H new ATOM 0 HE3 LYS A 63 4.369 -10.169 -7.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 2.949 -10.562 -9.464 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 4.229 -11.677 -9.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 2.675 -12.165 -8.977 1.00 0.00 H new ATOM 874 N GLY A 64 0.167 -10.723 -3.082 1.00 0.00 N ATOM 875 CA GLY A 64 -0.966 -11.084 -2.251 1.00 0.00 C ATOM 876 C GLY A 64 -0.613 -11.131 -0.778 1.00 0.00 C ATOM 877 O GLY A 64 -1.381 -11.646 0.035 1.00 0.00 O ATOM 0 H GLY A 64 0.239 -9.729 -3.300 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -1.770 -10.365 -2.406 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -1.345 -12.058 -2.562 1.00 0.00 H new ATOM 881 N GLN A 65 0.554 -10.595 -0.433 1.00 0.00 N ATOM 882 CA GLN A 65 1.008 -10.581 0.952 1.00 0.00 C ATOM 883 C GLN A 65 1.438 -9.178 1.370 1.00 0.00 C ATOM 884 O GLN A 65 2.430 -8.648 0.870 1.00 0.00 O ATOM 885 CB GLN A 65 2.168 -11.560 1.141 1.00 0.00 C ATOM 886 CG GLN A 65 1.783 -13.012 0.906 1.00 0.00 C ATOM 887 CD GLN A 65 2.656 -13.980 1.679 1.00 0.00 C ATOM 888 OE1 GLN A 65 3.283 -14.909 0.968 1.00 0.00 O flip ATOM 889 NE2 GLN A 65 2.766 -13.893 2.903 1.00 0.00 N flip ATOM 0 H GLN A 65 1.201 -10.165 -1.094 1.00 0.00 H new ATOM 0 HA GLN A 65 0.175 -10.890 1.584 1.00 0.00 H new ATOM 0 HB2 GLN A 65 2.974 -11.291 0.458 1.00 0.00 H new ATOM 0 HB3 GLN A 65 2.559 -11.456 2.153 1.00 0.00 H new ATOM 0 HG2 GLN A 65 0.742 -13.159 1.193 1.00 0.00 H new ATOM 0 HG3 GLN A 65 1.854 -13.235 -0.159 1.00 0.00 H new ATOM 0 HE21 GLN A 65 2.265 -13.163 3.409 1.00 0.00 H new ATOM 0 HE22 GLN A 65 3.358 -14.551 3.410 1.00 0.00 H new ATOM 898 N ARG A 66 0.685 -8.583 2.289 1.00 0.00 N ATOM 899 CA ARG A 66 0.987 -7.241 2.772 1.00 0.00 C ATOM 900 C ARG A 66 2.461 -7.119 3.149 1.00 0.00 C ATOM 901 O ARG A 66 2.915 -7.719 4.123 1.00 0.00 O ATOM 902 CB ARG A 66 0.111 -6.901 3.979 1.00 0.00 C ATOM 903 CG ARG A 66 -0.115 -5.410 4.167 1.00 0.00 C ATOM 904 CD ARG A 66 -0.479 -5.078 5.605 1.00 0.00 C ATOM 905 NE ARG A 66 -1.776 -5.632 5.983 1.00 0.00 N ATOM 906 CZ ARG A 66 -2.117 -5.919 7.235 1.00 0.00 C ATOM 907 NH1 ARG A 66 -1.260 -5.704 8.224 1.00 0.00 N ATOM 908 NH2 ARG A 66 -3.316 -6.421 7.499 1.00 0.00 N ATOM 0 H ARG A 66 -0.139 -9.009 2.714 1.00 0.00 H new ATOM 0 HA ARG A 66 0.775 -6.536 1.968 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -0.854 -7.395 3.867 1.00 0.00 H new ATOM 0 HB3 ARG A 66 0.574 -7.306 4.879 1.00 0.00 H new ATOM 0 HG2 ARG A 66 0.786 -4.866 3.884 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -0.911 -5.075 3.502 1.00 0.00 H new ATOM 0 HD2 ARG A 66 0.290 -5.467 6.273 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -0.495 -3.996 5.734 1.00 0.00 H new ATOM 0 HE ARG A 66 -2.458 -5.808 5.245 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -0.337 -5.318 8.024 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -1.524 -5.925 9.184 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -3.978 -6.587 6.741 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -3.576 -6.641 8.460 1.00 0.00 H new ATOM 922 N VAL A 67 3.203 -6.337 2.371 1.00 0.00 N ATOM 923 CA VAL A 67 4.624 -6.135 2.623 1.00 0.00 C ATOM 924 C VAL A 67 4.858 -4.910 3.500 1.00 0.00 C ATOM 925 O VAL A 67 5.794 -4.875 4.298 1.00 0.00 O ATOM 926 CB VAL A 67 5.410 -5.970 1.308 1.00 0.00 C ATOM 927 CG1 VAL A 67 5.533 -7.304 0.588 1.00 0.00 C ATOM 928 CG2 VAL A 67 4.743 -4.933 0.417 1.00 0.00 C ATOM 0 H VAL A 67 2.843 -5.833 1.561 1.00 0.00 H new ATOM 0 HA VAL A 67 4.983 -7.024 3.142 1.00 0.00 H new ATOM 0 HB VAL A 67 6.414 -5.620 1.546 1.00 0.00 H new ATOM 0 HG11 VAL A 67 6.091 -7.167 -0.338 1.00 0.00 H new ATOM 0 HG12 VAL A 67 6.058 -8.015 1.226 1.00 0.00 H new ATOM 0 HG13 VAL A 67 4.538 -7.687 0.359 1.00 0.00 H new ATOM 0 HG21 VAL A 67 5.311 -4.829 -0.508 1.00 0.00 H new ATOM 0 HG22 VAL A 67 3.727 -5.252 0.185 1.00 0.00 H new ATOM 0 HG23 VAL A 67 4.713 -3.974 0.934 1.00 0.00 H new ATOM 938 N ALA A 68 4.001 -3.907 3.345 1.00 0.00 N ATOM 939 CA ALA A 68 4.112 -2.680 4.125 1.00 0.00 C ATOM 940 C ALA A 68 2.747 -2.033 4.329 1.00 0.00 C ATOM 941 O ALA A 68 1.777 -2.386 3.659 1.00 0.00 O ATOM 942 CB ALA A 68 5.063 -1.707 3.444 1.00 0.00 C ATOM 0 H ALA A 68 3.222 -3.919 2.687 1.00 0.00 H new ATOM 0 HA ALA A 68 4.512 -2.937 5.106 1.00 0.00 H new ATOM 0 HB1 ALA A 68 5.137 -0.795 4.037 1.00 0.00 H new ATOM 0 HB2 ALA A 68 6.049 -2.163 3.356 1.00 0.00 H new ATOM 0 HB3 ALA A 68 4.686 -1.464 2.451 1.00 0.00 H new ATOM 948 N GLU A 69 2.679 -1.085 5.258 1.00 0.00 N ATOM 949 CA GLU A 69 1.430 -0.390 5.550 1.00 0.00 C ATOM 950 C GLU A 69 1.697 0.927 6.272 1.00 0.00 C ATOM 951 O GLU A 69 2.374 0.959 7.300 1.00 0.00 O ATOM 952 CB GLU A 69 0.516 -1.275 6.400 1.00 0.00 C ATOM 953 CG GLU A 69 0.986 -1.433 7.836 1.00 0.00 C ATOM 954 CD GLU A 69 0.574 -2.761 8.441 1.00 0.00 C ATOM 955 OE1 GLU A 69 -0.505 -3.271 8.073 1.00 0.00 O ATOM 956 OE2 GLU A 69 1.330 -3.291 9.283 1.00 0.00 O ATOM 0 H GLU A 69 3.473 -0.781 5.821 1.00 0.00 H new ATOM 0 HA GLU A 69 0.935 -0.171 4.604 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -0.488 -0.852 6.400 1.00 0.00 H new ATOM 0 HB3 GLU A 69 0.447 -2.260 5.939 1.00 0.00 H new ATOM 0 HG2 GLU A 69 2.072 -1.343 7.871 1.00 0.00 H new ATOM 0 HG3 GLU A 69 0.579 -0.621 8.439 1.00 0.00 H new ATOM 963 N VAL A 70 1.159 2.014 5.727 1.00 0.00 N ATOM 964 CA VAL A 70 1.337 3.335 6.318 1.00 0.00 C ATOM 965 C VAL A 70 0.038 3.840 6.936 1.00 0.00 C ATOM 966 O VAL A 70 -0.978 3.966 6.253 1.00 0.00 O ATOM 967 CB VAL A 70 1.828 4.355 5.274 1.00 0.00 C ATOM 968 CG1 VAL A 70 0.927 4.340 4.048 1.00 0.00 C ATOM 969 CG2 VAL A 70 1.892 5.749 5.881 1.00 0.00 C ATOM 0 H VAL A 70 0.596 2.005 4.877 1.00 0.00 H new ATOM 0 HA VAL A 70 2.091 3.234 7.098 1.00 0.00 H new ATOM 0 HB VAL A 70 2.833 4.073 4.960 1.00 0.00 H new ATOM 0 HG11 VAL A 70 1.289 5.067 3.321 1.00 0.00 H new ATOM 0 HG12 VAL A 70 0.936 3.345 3.602 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -0.091 4.597 4.341 1.00 0.00 H new ATOM 0 HG21 VAL A 70 2.241 6.457 5.130 1.00 0.00 H new ATOM 0 HG22 VAL A 70 0.900 6.043 6.223 1.00 0.00 H new ATOM 0 HG23 VAL A 70 2.581 5.747 6.725 1.00 0.00 H new ATOM 979 N ILE A 71 0.080 4.129 8.232 1.00 0.00 N ATOM 980 CA ILE A 71 -1.094 4.622 8.942 1.00 0.00 C ATOM 981 C ILE A 71 -1.332 6.100 8.650 1.00 0.00 C ATOM 982 O ILE A 71 -1.598 6.888 9.558 1.00 0.00 O ATOM 983 CB ILE A 71 -0.955 4.427 10.464 1.00 0.00 C ATOM 984 CG1 ILE A 71 -0.547 2.987 10.780 1.00 0.00 C ATOM 985 CG2 ILE A 71 -2.258 4.780 11.164 1.00 0.00 C ATOM 986 CD1 ILE A 71 -1.470 1.951 10.176 1.00 0.00 C ATOM 0 H ILE A 71 0.914 4.030 8.812 1.00 0.00 H new ATOM 0 HA ILE A 71 -1.945 4.042 8.586 1.00 0.00 H new ATOM 0 HB ILE A 71 -0.176 5.094 10.832 1.00 0.00 H new ATOM 0 HG12 ILE A 71 0.466 2.816 10.415 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -0.523 2.854 11.862 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -2.144 4.637 12.239 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -2.510 5.821 10.961 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -3.056 4.135 10.795 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -1.120 0.953 10.441 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -2.480 2.095 10.560 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -1.476 2.057 9.091 1.00 0.00 H new ATOM 998 N PHE A 72 -1.236 6.469 7.377 1.00 0.00 N ATOM 999 CA PHE A 72 -1.441 7.853 6.965 1.00 0.00 C ATOM 1000 C PHE A 72 -2.303 7.923 5.707 1.00 0.00 C ATOM 1001 O PHE A 72 -1.912 7.472 4.630 1.00 0.00 O ATOM 1002 CB PHE A 72 -0.096 8.537 6.713 1.00 0.00 C ATOM 1003 CG PHE A 72 -0.152 10.033 6.839 1.00 0.00 C ATOM 1004 CD1 PHE A 72 -0.812 10.628 7.902 1.00 0.00 C ATOM 1005 CD2 PHE A 72 0.456 10.844 5.895 1.00 0.00 C ATOM 1006 CE1 PHE A 72 -0.866 12.004 8.020 1.00 0.00 C ATOM 1007 CE2 PHE A 72 0.406 12.221 6.008 1.00 0.00 C ATOM 1008 CZ PHE A 72 -0.255 12.801 7.072 1.00 0.00 C ATOM 0 H PHE A 72 -1.018 5.829 6.613 1.00 0.00 H new ATOM 0 HA PHE A 72 -1.960 8.373 7.770 1.00 0.00 H new ATOM 0 HB2 PHE A 72 0.638 8.148 7.418 1.00 0.00 H new ATOM 0 HB3 PHE A 72 0.253 8.277 5.714 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -1.290 10.009 8.647 1.00 0.00 H new ATOM 0 HD2 PHE A 72 0.975 10.395 5.061 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -1.385 12.455 8.852 1.00 0.00 H new ATOM 0 HE2 PHE A 72 0.884 12.842 5.265 1.00 0.00 H new ATOM 0 HZ PHE A 72 -0.294 13.876 7.163 1.00 0.00 H new ATOM 1018 N PRO A 73 -3.505 8.501 5.847 1.00 0.00 N ATOM 1019 CA PRO A 73 -4.448 8.645 4.733 1.00 0.00 C ATOM 1020 C PRO A 73 -3.972 9.657 3.697 1.00 0.00 C ATOM 1021 O PRO A 73 -4.329 9.572 2.521 1.00 0.00 O ATOM 1022 CB PRO A 73 -5.728 9.138 5.414 1.00 0.00 C ATOM 1023 CG PRO A 73 -5.260 9.813 6.657 1.00 0.00 C ATOM 1024 CD PRO A 73 -4.036 9.061 7.101 1.00 0.00 C ATOM 0 HA PRO A 73 -4.573 7.713 4.182 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -6.278 9.827 4.772 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -6.399 8.310 5.642 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -5.027 10.861 6.468 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -6.032 9.792 7.427 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -3.314 9.719 7.585 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -4.284 8.278 7.818 1.00 0.00 H new ATOM 1032 N THR A 74 -3.164 10.615 4.140 1.00 0.00 N ATOM 1033 CA THR A 74 -2.639 11.644 3.251 1.00 0.00 C ATOM 1034 C THR A 74 -1.174 11.387 2.917 1.00 0.00 C ATOM 1035 O THR A 74 -0.419 12.318 2.639 1.00 0.00 O ATOM 1036 CB THR A 74 -2.774 13.046 3.873 1.00 0.00 C ATOM 1037 OG1 THR A 74 -2.357 13.017 5.243 1.00 0.00 O ATOM 1038 CG2 THR A 74 -4.210 13.541 3.786 1.00 0.00 C ATOM 0 H THR A 74 -2.859 10.700 5.110 1.00 0.00 H new ATOM 0 HA THR A 74 -3.230 11.602 2.336 1.00 0.00 H new ATOM 0 HB THR A 74 -2.136 13.730 3.314 1.00 0.00 H new ATOM 0 HG1 THR A 74 -1.381 13.097 5.290 1.00 0.00 H new ATOM 0 HG21 THR A 74 -4.280 14.533 4.232 1.00 0.00 H new ATOM 0 HG22 THR A 74 -4.515 13.590 2.741 1.00 0.00 H new ATOM 0 HG23 THR A 74 -4.865 12.855 4.323 1.00 0.00 H new ATOM 1046 N ALA A 75 -0.778 10.119 2.947 1.00 0.00 N ATOM 1047 CA ALA A 75 0.597 9.740 2.645 1.00 0.00 C ATOM 1048 C ALA A 75 0.848 9.739 1.141 1.00 0.00 C ATOM 1049 O ALA A 75 -0.040 9.409 0.354 1.00 0.00 O ATOM 1050 CB ALA A 75 0.910 8.374 3.235 1.00 0.00 C ATOM 0 H ALA A 75 -1.390 9.336 3.177 1.00 0.00 H new ATOM 0 HA ALA A 75 1.259 10.479 3.097 1.00 0.00 H new ATOM 0 HB1 ALA A 75 1.940 8.104 3.002 1.00 0.00 H new ATOM 0 HB2 ALA A 75 0.780 8.406 4.317 1.00 0.00 H new ATOM 0 HB3 ALA A 75 0.235 7.631 2.810 1.00 0.00 H new ATOM 1056 N ASP A 76 2.061 10.110 0.748 1.00 0.00 N ATOM 1057 CA ASP A 76 2.429 10.151 -0.663 1.00 0.00 C ATOM 1058 C ASP A 76 3.596 9.210 -0.948 1.00 0.00 C ATOM 1059 O ASP A 76 3.963 8.992 -2.102 1.00 0.00 O ATOM 1060 CB ASP A 76 2.795 11.577 -1.075 1.00 0.00 C ATOM 1061 CG ASP A 76 4.205 11.955 -0.665 1.00 0.00 C ATOM 1062 OD1 ASP A 76 4.412 12.269 0.526 1.00 0.00 O ATOM 1063 OD2 ASP A 76 5.101 11.937 -1.534 1.00 0.00 O ATOM 0 H ASP A 76 2.807 10.387 1.386 1.00 0.00 H new ATOM 0 HA ASP A 76 1.570 9.822 -1.247 1.00 0.00 H new ATOM 0 HB2 ASP A 76 2.695 11.677 -2.156 1.00 0.00 H new ATOM 0 HB3 ASP A 76 2.089 12.275 -0.624 1.00 0.00 H new ATOM 1068 N SER A 77 4.176 8.657 0.113 1.00 0.00 N ATOM 1069 CA SER A 77 5.305 7.744 -0.023 1.00 0.00 C ATOM 1070 C SER A 77 5.461 6.884 1.228 1.00 0.00 C ATOM 1071 O SER A 77 5.270 7.356 2.349 1.00 0.00 O ATOM 1072 CB SER A 77 6.594 8.527 -0.281 1.00 0.00 C ATOM 1073 OG SER A 77 6.486 9.313 -1.455 1.00 0.00 O ATOM 0 H SER A 77 3.883 8.825 1.075 1.00 0.00 H new ATOM 0 HA SER A 77 5.111 7.089 -0.872 1.00 0.00 H new ATOM 0 HB2 SER A 77 6.810 9.170 0.572 1.00 0.00 H new ATOM 0 HB3 SER A 77 7.430 7.835 -0.378 1.00 0.00 H new ATOM 0 HG SER A 77 5.718 9.009 -1.982 1.00 0.00 H new ATOM 1079 N THR A 78 5.810 5.617 1.027 1.00 0.00 N ATOM 1080 CA THR A 78 5.991 4.689 2.136 1.00 0.00 C ATOM 1081 C THR A 78 7.167 3.752 1.883 1.00 0.00 C ATOM 1082 O THR A 78 7.490 3.442 0.737 1.00 0.00 O ATOM 1083 CB THR A 78 4.723 3.849 2.379 1.00 0.00 C ATOM 1084 OG1 THR A 78 4.702 3.373 3.729 1.00 0.00 O ATOM 1085 CG2 THR A 78 4.663 2.670 1.419 1.00 0.00 C ATOM 0 H THR A 78 5.973 5.210 0.106 1.00 0.00 H new ATOM 0 HA THR A 78 6.194 5.291 3.022 1.00 0.00 H new ATOM 0 HB THR A 78 3.854 4.484 2.205 1.00 0.00 H new ATOM 0 HG1 THR A 78 4.868 4.120 4.342 1.00 0.00 H new ATOM 0 HG21 THR A 78 3.759 2.091 1.609 1.00 0.00 H new ATOM 0 HG22 THR A 78 4.650 3.037 0.393 1.00 0.00 H new ATOM 0 HG23 THR A 78 5.537 2.036 1.566 1.00 0.00 H new ATOM 1093 N ALA A 79 7.803 3.304 2.961 1.00 0.00 N ATOM 1094 CA ALA A 79 8.941 2.400 2.855 1.00 0.00 C ATOM 1095 C ALA A 79 8.486 0.944 2.832 1.00 0.00 C ATOM 1096 O ALA A 79 7.501 0.581 3.474 1.00 0.00 O ATOM 1097 CB ALA A 79 9.910 2.634 4.005 1.00 0.00 C ATOM 0 H ALA A 79 7.549 3.553 3.917 1.00 0.00 H new ATOM 0 HA ALA A 79 9.452 2.608 1.915 1.00 0.00 H new ATOM 0 HB1 ALA A 79 10.755 1.952 3.913 1.00 0.00 H new ATOM 0 HB2 ALA A 79 10.269 3.663 3.975 1.00 0.00 H new ATOM 0 HB3 ALA A 79 9.401 2.455 4.952 1.00 0.00 H new ATOM 1103 N VAL A 80 9.209 0.115 2.086 1.00 0.00 N ATOM 1104 CA VAL A 80 8.880 -1.302 1.979 1.00 0.00 C ATOM 1105 C VAL A 80 10.139 -2.161 1.988 1.00 0.00 C ATOM 1106 O VAL A 80 11.166 -1.780 1.426 1.00 0.00 O ATOM 1107 CB VAL A 80 8.079 -1.596 0.697 1.00 0.00 C ATOM 1108 CG1 VAL A 80 7.819 -3.089 0.561 1.00 0.00 C ATOM 1109 CG2 VAL A 80 6.773 -0.817 0.694 1.00 0.00 C ATOM 0 H VAL A 80 10.026 0.400 1.547 1.00 0.00 H new ATOM 0 HA VAL A 80 8.268 -1.552 2.846 1.00 0.00 H new ATOM 0 HB VAL A 80 8.669 -1.274 -0.161 1.00 0.00 H new ATOM 0 HG11 VAL A 80 7.252 -3.278 -0.350 1.00 0.00 H new ATOM 0 HG12 VAL A 80 8.769 -3.621 0.514 1.00 0.00 H new ATOM 0 HG13 VAL A 80 7.249 -3.439 1.422 1.00 0.00 H new ATOM 0 HG21 VAL A 80 6.220 -1.037 -0.219 1.00 0.00 H new ATOM 0 HG22 VAL A 80 6.175 -1.106 1.559 1.00 0.00 H new ATOM 0 HG23 VAL A 80 6.986 0.251 0.741 1.00 0.00 H new ATOM 1119 N GLU A 81 10.053 -3.322 2.629 1.00 0.00 N ATOM 1120 CA GLU A 81 11.186 -4.236 2.710 1.00 0.00 C ATOM 1121 C GLU A 81 11.344 -5.024 1.413 1.00 0.00 C ATOM 1122 O GLU A 81 10.416 -5.700 0.967 1.00 0.00 O ATOM 1123 CB GLU A 81 11.011 -5.198 3.887 1.00 0.00 C ATOM 1124 CG GLU A 81 11.567 -4.666 5.197 1.00 0.00 C ATOM 1125 CD GLU A 81 10.824 -5.200 6.406 1.00 0.00 C ATOM 1126 OE1 GLU A 81 9.673 -5.656 6.241 1.00 0.00 O ATOM 1127 OE2 GLU A 81 11.394 -5.163 7.516 1.00 0.00 O ATOM 0 H GLU A 81 9.210 -3.652 3.100 1.00 0.00 H new ATOM 0 HA GLU A 81 12.087 -3.643 2.866 1.00 0.00 H new ATOM 0 HB2 GLU A 81 9.950 -5.414 4.014 1.00 0.00 H new ATOM 0 HB3 GLU A 81 11.503 -6.142 3.650 1.00 0.00 H new ATOM 0 HG2 GLU A 81 12.621 -4.934 5.275 1.00 0.00 H new ATOM 0 HG3 GLU A 81 11.514 -3.577 5.194 1.00 0.00 H new ATOM 1134 N LEU A 82 12.525 -4.932 0.812 1.00 0.00 N ATOM 1135 CA LEU A 82 12.806 -5.636 -0.435 1.00 0.00 C ATOM 1136 C LEU A 82 12.848 -7.144 -0.211 1.00 0.00 C ATOM 1137 O LEU A 82 12.460 -7.922 -1.082 1.00 0.00 O ATOM 1138 CB LEU A 82 14.134 -5.159 -1.025 1.00 0.00 C ATOM 1139 CG LEU A 82 14.138 -3.749 -1.617 1.00 0.00 C ATOM 1140 CD1 LEU A 82 15.511 -3.409 -2.176 1.00 0.00 C ATOM 1141 CD2 LEU A 82 13.074 -3.621 -2.696 1.00 0.00 C ATOM 0 H LEU A 82 13.303 -4.377 1.168 1.00 0.00 H new ATOM 0 HA LEU A 82 12.003 -5.414 -1.138 1.00 0.00 H new ATOM 0 HB2 LEU A 82 14.893 -5.206 -0.244 1.00 0.00 H new ATOM 0 HB3 LEU A 82 14.435 -5.859 -1.804 1.00 0.00 H new ATOM 0 HG LEU A 82 13.907 -3.041 -0.821 1.00 0.00 H new ATOM 0 HD11 LEU A 82 15.495 -2.402 -2.593 1.00 0.00 H new ATOM 0 HD12 LEU A 82 16.252 -3.459 -1.378 1.00 0.00 H new ATOM 0 HD13 LEU A 82 15.772 -4.122 -2.958 1.00 0.00 H new ATOM 0 HD21 LEU A 82 13.091 -2.611 -3.106 1.00 0.00 H new ATOM 0 HD22 LEU A 82 13.274 -4.339 -3.491 1.00 0.00 H new ATOM 0 HD23 LEU A 82 12.093 -3.821 -2.265 1.00 0.00 H new ATOM 1153 N VAL A 83 13.320 -7.550 0.963 1.00 0.00 N ATOM 1154 CA VAL A 83 13.410 -8.965 1.303 1.00 0.00 C ATOM 1155 C VAL A 83 12.067 -9.661 1.115 1.00 0.00 C ATOM 1156 O VAL A 83 12.008 -10.808 0.669 1.00 0.00 O ATOM 1157 CB VAL A 83 13.880 -9.164 2.757 1.00 0.00 C ATOM 1158 CG1 VAL A 83 12.739 -8.899 3.728 1.00 0.00 C ATOM 1159 CG2 VAL A 83 14.439 -10.565 2.948 1.00 0.00 C ATOM 0 H VAL A 83 13.646 -6.919 1.695 1.00 0.00 H new ATOM 0 HA VAL A 83 14.143 -9.407 0.628 1.00 0.00 H new ATOM 0 HB VAL A 83 14.676 -8.448 2.965 1.00 0.00 H new ATOM 0 HG11 VAL A 83 13.090 -9.044 4.750 1.00 0.00 H new ATOM 0 HG12 VAL A 83 12.389 -7.874 3.607 1.00 0.00 H new ATOM 0 HG13 VAL A 83 11.920 -9.589 3.524 1.00 0.00 H new ATOM 0 HG21 VAL A 83 14.766 -10.689 3.980 1.00 0.00 H new ATOM 0 HG22 VAL A 83 13.666 -11.299 2.722 1.00 0.00 H new ATOM 0 HG23 VAL A 83 15.286 -10.713 2.279 1.00 0.00 H new ATOM 1169 N ARG A 84 10.991 -8.961 1.456 1.00 0.00 N ATOM 1170 CA ARG A 84 9.647 -9.513 1.325 1.00 0.00 C ATOM 1171 C ARG A 84 9.334 -9.842 -0.131 1.00 0.00 C ATOM 1172 O ARG A 84 8.541 -10.739 -0.420 1.00 0.00 O ATOM 1173 CB ARG A 84 8.613 -8.527 1.870 1.00 0.00 C ATOM 1174 CG ARG A 84 8.750 -8.261 3.360 1.00 0.00 C ATOM 1175 CD ARG A 84 7.473 -7.675 3.942 1.00 0.00 C ATOM 1176 NE ARG A 84 6.542 -8.713 4.376 1.00 0.00 N ATOM 1177 CZ ARG A 84 6.749 -9.489 5.434 1.00 0.00 C ATOM 1178 NH1 ARG A 84 7.847 -9.345 6.163 1.00 0.00 N ATOM 1179 NH2 ARG A 84 5.855 -10.412 5.766 1.00 0.00 N ATOM 0 H ARG A 84 11.023 -8.011 1.825 1.00 0.00 H new ATOM 0 HA ARG A 84 9.601 -10.435 1.905 1.00 0.00 H new ATOM 0 HB2 ARG A 84 8.704 -7.584 1.331 1.00 0.00 H new ATOM 0 HB3 ARG A 84 7.614 -8.914 1.669 1.00 0.00 H new ATOM 0 HG2 ARG A 84 8.993 -9.190 3.876 1.00 0.00 H new ATOM 0 HG3 ARG A 84 9.579 -7.574 3.533 1.00 0.00 H new ATOM 0 HD2 ARG A 84 7.721 -7.034 4.788 1.00 0.00 H new ATOM 0 HD3 ARG A 84 6.990 -7.045 3.195 1.00 0.00 H new ATOM 0 HE ARG A 84 5.687 -8.850 3.838 1.00 0.00 H new ATOM 0 HH11 ARG A 84 8.536 -8.636 5.912 1.00 0.00 H new ATOM 0 HH12 ARG A 84 8.002 -9.943 6.975 1.00 0.00 H new ATOM 0 HH21 ARG A 84 5.008 -10.526 5.209 1.00 0.00 H new ATOM 0 HH22 ARG A 84 6.015 -11.008 6.579 1.00 0.00 H new ATOM 1193 N LEU A 85 9.962 -9.111 -1.046 1.00 0.00 N ATOM 1194 CA LEU A 85 9.751 -9.324 -2.473 1.00 0.00 C ATOM 1195 C LEU A 85 10.604 -10.482 -2.983 1.00 0.00 C ATOM 1196 O LEU A 85 10.259 -11.133 -3.969 1.00 0.00 O ATOM 1197 CB LEU A 85 10.080 -8.051 -3.253 1.00 0.00 C ATOM 1198 CG LEU A 85 9.563 -6.743 -2.653 1.00 0.00 C ATOM 1199 CD1 LEU A 85 10.324 -5.556 -3.223 1.00 0.00 C ATOM 1200 CD2 LEU A 85 8.070 -6.593 -2.906 1.00 0.00 C ATOM 0 H LEU A 85 10.622 -8.365 -0.824 1.00 0.00 H new ATOM 0 HA LEU A 85 8.701 -9.575 -2.626 1.00 0.00 H new ATOM 0 HB2 LEU A 85 11.163 -7.979 -3.351 1.00 0.00 H new ATOM 0 HB3 LEU A 85 9.674 -8.151 -4.260 1.00 0.00 H new ATOM 0 HG LEU A 85 9.728 -6.770 -1.576 1.00 0.00 H new ATOM 0 HD11 LEU A 85 9.942 -4.634 -2.784 1.00 0.00 H new ATOM 0 HD12 LEU A 85 11.384 -5.657 -2.989 1.00 0.00 H new ATOM 0 HD13 LEU A 85 10.192 -5.525 -4.305 1.00 0.00 H new ATOM 0 HD21 LEU A 85 7.720 -5.657 -2.472 1.00 0.00 H new ATOM 0 HD22 LEU A 85 7.882 -6.588 -3.980 1.00 0.00 H new ATOM 0 HD23 LEU A 85 7.538 -7.427 -2.448 1.00 0.00 H new ATOM 1212 N ARG A 86 11.718 -10.733 -2.303 1.00 0.00 N ATOM 1213 CA ARG A 86 12.620 -11.812 -2.686 1.00 0.00 C ATOM 1214 C ARG A 86 11.964 -13.173 -2.468 1.00 0.00 C ATOM 1215 O ARG A 86 11.846 -13.972 -3.396 1.00 0.00 O ATOM 1216 CB ARG A 86 13.921 -11.727 -1.886 1.00 0.00 C ATOM 1217 CG ARG A 86 14.527 -10.334 -1.855 1.00 0.00 C ATOM 1218 CD ARG A 86 14.857 -9.839 -3.255 1.00 0.00 C ATOM 1219 NE ARG A 86 15.966 -10.580 -3.850 1.00 0.00 N ATOM 1220 CZ ARG A 86 16.190 -10.642 -5.158 1.00 0.00 C ATOM 1221 NH1 ARG A 86 15.387 -10.010 -6.003 1.00 0.00 N ATOM 1222 NH2 ARG A 86 17.221 -11.336 -5.623 1.00 0.00 N ATOM 0 H ARG A 86 12.017 -10.204 -1.484 1.00 0.00 H new ATOM 0 HA ARG A 86 12.846 -11.703 -3.747 1.00 0.00 H new ATOM 0 HB2 ARG A 86 13.731 -12.054 -0.864 1.00 0.00 H new ATOM 0 HB3 ARG A 86 14.646 -12.420 -2.313 1.00 0.00 H new ATOM 0 HG2 ARG A 86 13.831 -9.644 -1.378 1.00 0.00 H new ATOM 0 HG3 ARG A 86 15.432 -10.343 -1.248 1.00 0.00 H new ATOM 0 HD2 ARG A 86 13.976 -9.933 -3.890 1.00 0.00 H new ATOM 0 HD3 ARG A 86 15.109 -8.779 -3.215 1.00 0.00 H new ATOM 0 HE ARG A 86 16.603 -11.077 -3.227 1.00 0.00 H new ATOM 0 HH11 ARG A 86 14.594 -9.474 -5.649 1.00 0.00 H new ATOM 0 HH12 ARG A 86 15.562 -10.060 -7.007 1.00 0.00 H new ATOM 0 HH21 ARG A 86 17.842 -11.822 -4.976 1.00 0.00 H new ATOM 0 HH22 ARG A 86 17.393 -11.383 -6.627 1.00 0.00 H new ATOM 1236 N SER A 87 11.538 -13.428 -1.235 1.00 0.00 N ATOM 1237 CA SER A 87 10.898 -14.692 -0.893 1.00 0.00 C ATOM 1238 C SER A 87 9.779 -15.018 -1.878 1.00 0.00 C ATOM 1239 O SER A 87 9.614 -16.167 -2.291 1.00 0.00 O ATOM 1240 CB SER A 87 10.341 -14.638 0.530 1.00 0.00 C ATOM 1241 OG SER A 87 10.336 -15.924 1.126 1.00 0.00 O ATOM 0 H SER A 87 11.625 -12.775 -0.456 1.00 0.00 H new ATOM 0 HA SER A 87 11.650 -15.479 -0.951 1.00 0.00 H new ATOM 0 HB2 SER A 87 10.941 -13.957 1.133 1.00 0.00 H new ATOM 0 HB3 SER A 87 9.327 -14.238 0.512 1.00 0.00 H new ATOM 0 HG SER A 87 9.977 -15.862 2.036 1.00 0.00 H new ATOM 1247 N LEU A 88 9.012 -13.999 -2.250 1.00 0.00 N ATOM 1248 CA LEU A 88 7.907 -14.175 -3.186 1.00 0.00 C ATOM 1249 C LEU A 88 8.370 -13.950 -4.622 1.00 0.00 C ATOM 1250 O LEU A 88 7.685 -14.330 -5.571 1.00 0.00 O ATOM 1251 CB LEU A 88 6.769 -13.211 -2.848 1.00 0.00 C ATOM 1252 CG LEU A 88 6.391 -13.110 -1.370 1.00 0.00 C ATOM 1253 CD1 LEU A 88 5.858 -11.723 -1.049 1.00 0.00 C ATOM 1254 CD2 LEU A 88 5.365 -14.174 -1.008 1.00 0.00 C ATOM 0 H LEU A 88 9.135 -13.042 -1.918 1.00 0.00 H new ATOM 0 HA LEU A 88 7.546 -15.199 -3.096 1.00 0.00 H new ATOM 0 HB2 LEU A 88 7.045 -12.217 -3.200 1.00 0.00 H new ATOM 0 HB3 LEU A 88 5.885 -13.514 -3.409 1.00 0.00 H new ATOM 0 HG LEU A 88 7.287 -13.280 -0.773 1.00 0.00 H new ATOM 0 HD11 LEU A 88 5.594 -11.670 0.007 1.00 0.00 H new ATOM 0 HD12 LEU A 88 6.623 -10.979 -1.270 1.00 0.00 H new ATOM 0 HD13 LEU A 88 4.974 -11.524 -1.654 1.00 0.00 H new ATOM 0 HD21 LEU A 88 5.108 -14.087 0.048 1.00 0.00 H new ATOM 0 HD22 LEU A 88 4.469 -14.036 -1.613 1.00 0.00 H new ATOM 0 HD23 LEU A 88 5.783 -15.162 -1.199 1.00 0.00 H new ATOM 1266 N GLU A 89 9.537 -13.332 -4.773 1.00 0.00 N ATOM 1267 CA GLU A 89 10.091 -13.059 -6.094 1.00 0.00 C ATOM 1268 C GLU A 89 9.197 -12.097 -6.870 1.00 0.00 C ATOM 1269 O GLU A 89 9.021 -12.236 -8.080 1.00 0.00 O ATOM 1270 CB GLU A 89 10.261 -14.361 -6.879 1.00 0.00 C ATOM 1271 CG GLU A 89 11.087 -15.408 -6.151 1.00 0.00 C ATOM 1272 CD GLU A 89 11.370 -16.627 -7.007 1.00 0.00 C ATOM 1273 OE1 GLU A 89 10.424 -17.144 -7.636 1.00 0.00 O ATOM 1274 OE2 GLU A 89 12.540 -17.063 -7.049 1.00 0.00 O ATOM 0 H GLU A 89 10.117 -13.011 -3.998 1.00 0.00 H new ATOM 0 HA GLU A 89 11.068 -12.593 -5.962 1.00 0.00 H new ATOM 0 HB2 GLU A 89 9.277 -14.775 -7.097 1.00 0.00 H new ATOM 0 HB3 GLU A 89 10.733 -14.139 -7.836 1.00 0.00 H new ATOM 0 HG2 GLU A 89 12.031 -14.965 -5.834 1.00 0.00 H new ATOM 0 HG3 GLU A 89 10.561 -15.717 -5.248 1.00 0.00 H new ATOM 1281 N ALA A 90 8.635 -11.121 -6.165 1.00 0.00 N ATOM 1282 CA ALA A 90 7.760 -10.135 -6.787 1.00 0.00 C ATOM 1283 C ALA A 90 8.569 -9.062 -7.508 1.00 0.00 C ATOM 1284 O ALA A 90 9.495 -8.481 -6.941 1.00 0.00 O ATOM 1285 CB ALA A 90 6.852 -9.502 -5.743 1.00 0.00 C ATOM 0 H ALA A 90 8.770 -10.992 -5.162 1.00 0.00 H new ATOM 0 HA ALA A 90 7.143 -10.647 -7.526 1.00 0.00 H new ATOM 0 HB1 ALA A 90 6.204 -8.768 -6.222 1.00 0.00 H new ATOM 0 HB2 ALA A 90 6.242 -10.274 -5.275 1.00 0.00 H new ATOM 0 HB3 ALA A 90 7.459 -9.010 -4.983 1.00 0.00 H new ATOM 1291 N LYS A 91 8.214 -8.803 -8.762 1.00 0.00 N ATOM 1292 CA LYS A 91 8.906 -7.799 -9.562 1.00 0.00 C ATOM 1293 C LYS A 91 8.099 -6.507 -9.630 1.00 0.00 C ATOM 1294 O LYS A 91 8.298 -5.685 -10.523 1.00 0.00 O ATOM 1295 CB LYS A 91 9.159 -8.330 -10.975 1.00 0.00 C ATOM 1296 CG LYS A 91 10.329 -9.294 -11.063 1.00 0.00 C ATOM 1297 CD LYS A 91 11.660 -8.565 -10.973 1.00 0.00 C ATOM 1298 CE LYS A 91 11.930 -7.743 -12.224 1.00 0.00 C ATOM 1299 NZ LYS A 91 13.387 -7.540 -12.451 1.00 0.00 N ATOM 0 H LYS A 91 7.451 -9.275 -9.247 1.00 0.00 H new ATOM 0 HA LYS A 91 9.862 -7.585 -9.084 1.00 0.00 H new ATOM 0 HB2 LYS A 91 8.259 -8.831 -11.332 1.00 0.00 H new ATOM 0 HB3 LYS A 91 9.342 -7.488 -11.643 1.00 0.00 H new ATOM 0 HG2 LYS A 91 10.259 -10.027 -10.259 1.00 0.00 H new ATOM 0 HG3 LYS A 91 10.278 -9.845 -12.002 1.00 0.00 H new ATOM 0 HD2 LYS A 91 11.660 -7.912 -10.100 1.00 0.00 H new ATOM 0 HD3 LYS A 91 12.463 -9.288 -10.831 1.00 0.00 H new ATOM 0 HE2 LYS A 91 11.494 -8.244 -13.089 1.00 0.00 H new ATOM 0 HE3 LYS A 91 11.438 -6.774 -12.135 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 13.529 -6.975 -13.313 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 13.799 -7.039 -11.638 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 13.853 -8.463 -12.561 1.00 0.00 H new ATOM 1313 N GLY A 92 7.187 -6.333 -8.678 1.00 0.00 N ATOM 1314 CA GLY A 92 6.365 -5.137 -8.647 1.00 0.00 C ATOM 1315 C GLY A 92 5.530 -5.040 -7.386 1.00 0.00 C ATOM 1316 O GLY A 92 5.237 -6.051 -6.747 1.00 0.00 O ATOM 0 H GLY A 92 7.003 -6.999 -7.928 1.00 0.00 H new ATOM 0 HA2 GLY A 92 7.005 -4.258 -8.724 1.00 0.00 H new ATOM 0 HA3 GLY A 92 5.707 -5.129 -9.516 1.00 0.00 H new ATOM 1320 N VAL A 93 5.146 -3.820 -7.025 1.00 0.00 N ATOM 1321 CA VAL A 93 4.340 -3.593 -5.831 1.00 0.00 C ATOM 1322 C VAL A 93 3.119 -2.736 -6.147 1.00 0.00 C ATOM 1323 O VAL A 93 2.989 -2.201 -7.248 1.00 0.00 O ATOM 1324 CB VAL A 93 5.160 -2.910 -4.721 1.00 0.00 C ATOM 1325 CG1 VAL A 93 6.204 -3.866 -4.164 1.00 0.00 C ATOM 1326 CG2 VAL A 93 5.814 -1.641 -5.247 1.00 0.00 C ATOM 0 H VAL A 93 5.380 -2.973 -7.543 1.00 0.00 H new ATOM 0 HA VAL A 93 4.012 -4.572 -5.480 1.00 0.00 H new ATOM 0 HB VAL A 93 4.485 -2.635 -3.911 1.00 0.00 H new ATOM 0 HG11 VAL A 93 6.774 -3.366 -3.381 1.00 0.00 H new ATOM 0 HG12 VAL A 93 5.709 -4.744 -3.749 1.00 0.00 H new ATOM 0 HG13 VAL A 93 6.878 -4.174 -4.963 1.00 0.00 H new ATOM 0 HG21 VAL A 93 6.390 -1.171 -4.450 1.00 0.00 H new ATOM 0 HG22 VAL A 93 6.477 -1.890 -6.075 1.00 0.00 H new ATOM 0 HG23 VAL A 93 5.044 -0.952 -5.594 1.00 0.00 H new ATOM 1336 N THR A 94 2.224 -2.609 -5.172 1.00 0.00 N ATOM 1337 CA THR A 94 1.013 -1.817 -5.345 1.00 0.00 C ATOM 1338 C THR A 94 0.638 -1.097 -4.054 1.00 0.00 C ATOM 1339 O THR A 94 1.306 -1.246 -3.031 1.00 0.00 O ATOM 1340 CB THR A 94 -0.172 -2.693 -5.793 1.00 0.00 C ATOM 1341 OG1 THR A 94 -0.611 -3.516 -4.706 1.00 0.00 O ATOM 1342 CG2 THR A 94 0.220 -3.570 -6.973 1.00 0.00 C ATOM 0 H THR A 94 2.315 -3.045 -4.254 1.00 0.00 H new ATOM 0 HA THR A 94 1.225 -1.081 -6.121 1.00 0.00 H new ATOM 0 HB THR A 94 -0.985 -2.036 -6.102 1.00 0.00 H new ATOM 0 HG1 THR A 94 -0.835 -4.409 -5.042 1.00 0.00 H new ATOM 0 HG21 THR A 94 -0.632 -4.180 -7.272 1.00 0.00 H new ATOM 0 HG22 THR A 94 0.527 -2.940 -7.808 1.00 0.00 H new ATOM 0 HG23 THR A 94 1.047 -4.219 -6.685 1.00 0.00 H new ATOM 1350 N VAL A 95 -0.435 -0.315 -4.109 1.00 0.00 N ATOM 1351 CA VAL A 95 -0.901 0.428 -2.944 1.00 0.00 C ATOM 1352 C VAL A 95 -2.417 0.344 -2.808 1.00 0.00 C ATOM 1353 O VAL A 95 -3.150 0.588 -3.766 1.00 0.00 O ATOM 1354 CB VAL A 95 -0.484 1.909 -3.019 1.00 0.00 C ATOM 1355 CG1 VAL A 95 -0.877 2.640 -1.744 1.00 0.00 C ATOM 1356 CG2 VAL A 95 1.011 2.029 -3.272 1.00 0.00 C ATOM 0 H VAL A 95 -0.998 -0.179 -4.948 1.00 0.00 H new ATOM 0 HA VAL A 95 -0.436 -0.029 -2.071 1.00 0.00 H new ATOM 0 HB VAL A 95 -1.009 2.374 -3.853 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -0.574 3.685 -1.816 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -1.957 2.584 -1.610 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -0.381 2.176 -0.891 1.00 0.00 H new ATOM 0 HG21 VAL A 95 1.288 3.082 -3.322 1.00 0.00 H new ATOM 0 HG22 VAL A 95 1.557 1.548 -2.460 1.00 0.00 H new ATOM 0 HG23 VAL A 95 1.261 1.543 -4.215 1.00 0.00 H new ATOM 1366 N ARG A 96 -2.880 -0.003 -1.611 1.00 0.00 N ATOM 1367 CA ARG A 96 -4.310 -0.119 -1.350 1.00 0.00 C ATOM 1368 C ARG A 96 -4.736 0.825 -0.230 1.00 0.00 C ATOM 1369 O ARG A 96 -4.173 0.803 0.865 1.00 0.00 O ATOM 1370 CB ARG A 96 -4.666 -1.560 -0.980 1.00 0.00 C ATOM 1371 CG ARG A 96 -3.993 -2.600 -1.861 1.00 0.00 C ATOM 1372 CD ARG A 96 -4.293 -4.012 -1.385 1.00 0.00 C ATOM 1373 NE ARG A 96 -5.574 -4.499 -1.890 1.00 0.00 N ATOM 1374 CZ ARG A 96 -5.913 -5.783 -1.918 1.00 0.00 C ATOM 1375 NH1 ARG A 96 -5.071 -6.704 -1.471 1.00 0.00 N ATOM 1376 NH2 ARG A 96 -7.098 -6.148 -2.392 1.00 0.00 N ATOM 0 H ARG A 96 -2.286 -0.208 -0.808 1.00 0.00 H new ATOM 0 HA ARG A 96 -4.844 0.159 -2.259 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -4.386 -1.739 0.058 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -5.747 -1.686 -1.045 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -4.333 -2.482 -2.890 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -2.915 -2.436 -1.861 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -3.497 -4.681 -1.711 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -4.301 -4.033 -0.295 1.00 0.00 H new ATOM 0 HE ARG A 96 -6.245 -3.816 -2.240 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -4.160 -6.427 -1.104 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -5.334 -7.689 -1.494 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -7.749 -5.442 -2.735 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -7.357 -7.134 -2.413 1.00 0.00 H new ATOM 1390 N THR A 97 -5.736 1.656 -0.512 1.00 0.00 N ATOM 1391 CA THR A 97 -6.237 2.609 0.470 1.00 0.00 C ATOM 1392 C THR A 97 -6.947 1.897 1.615 1.00 0.00 C ATOM 1393 O THR A 97 -8.067 1.407 1.456 1.00 0.00 O ATOM 1394 CB THR A 97 -7.207 3.619 -0.172 1.00 0.00 C ATOM 1395 OG1 THR A 97 -6.732 3.998 -1.469 1.00 0.00 O ATOM 1396 CG2 THR A 97 -7.356 4.856 0.701 1.00 0.00 C ATOM 0 H THR A 97 -6.214 1.688 -1.412 1.00 0.00 H new ATOM 0 HA THR A 97 -5.372 3.145 0.860 1.00 0.00 H new ATOM 0 HB THR A 97 -8.182 3.142 -0.268 1.00 0.00 H new ATOM 0 HG1 THR A 97 -7.386 4.589 -1.897 1.00 0.00 H new ATOM 0 HG21 THR A 97 -8.046 5.555 0.227 1.00 0.00 H new ATOM 0 HG22 THR A 97 -7.745 4.568 1.677 1.00 0.00 H new ATOM 0 HG23 THR A 97 -6.384 5.333 0.825 1.00 0.00 H new ATOM 1404 N LEU A 98 -6.292 1.842 2.769 1.00 0.00 N ATOM 1405 CA LEU A 98 -6.862 1.189 3.943 1.00 0.00 C ATOM 1406 C LEU A 98 -7.885 2.092 4.625 1.00 0.00 C ATOM 1407 O LEU A 98 -7.780 3.318 4.570 1.00 0.00 O ATOM 1408 CB LEU A 98 -5.755 0.816 4.931 1.00 0.00 C ATOM 1409 CG LEU A 98 -4.518 0.148 4.331 1.00 0.00 C ATOM 1410 CD1 LEU A 98 -3.470 -0.097 5.406 1.00 0.00 C ATOM 1411 CD2 LEU A 98 -4.895 -1.157 3.645 1.00 0.00 C ATOM 0 H LEU A 98 -5.365 2.242 2.917 1.00 0.00 H new ATOM 0 HA LEU A 98 -7.368 0.281 3.614 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -5.439 1.721 5.450 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -6.176 0.148 5.682 1.00 0.00 H new ATOM 0 HG LEU A 98 -4.094 0.818 3.584 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -2.596 -0.573 4.961 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -3.177 0.853 5.852 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -3.884 -0.747 6.177 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -4.002 -1.618 3.224 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -5.344 -1.834 4.372 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -5.610 -0.955 2.847 1.00 0.00 H new ATOM 1423 N SER A 99 -8.872 1.478 5.268 1.00 0.00 N ATOM 1424 CA SER A 99 -9.916 2.226 5.960 1.00 0.00 C ATOM 1425 C SER A 99 -10.591 1.362 7.021 1.00 0.00 C ATOM 1426 O SER A 99 -10.245 0.195 7.199 1.00 0.00 O ATOM 1427 CB SER A 99 -10.957 2.733 4.961 1.00 0.00 C ATOM 1428 OG SER A 99 -11.583 1.656 4.286 1.00 0.00 O ATOM 0 H SER A 99 -8.971 0.464 5.325 1.00 0.00 H new ATOM 0 HA SER A 99 -9.451 3.079 6.453 1.00 0.00 H new ATOM 0 HB2 SER A 99 -11.709 3.325 5.483 1.00 0.00 H new ATOM 0 HB3 SER A 99 -10.479 3.392 4.236 1.00 0.00 H new ATOM 0 HG SER A 99 -10.958 0.904 4.219 1.00 0.00 H new ATOM 1434 N ALA A 100 -11.556 1.946 7.724 1.00 0.00 N ATOM 1435 CA ALA A 100 -12.282 1.231 8.766 1.00 0.00 C ATOM 1436 C ALA A 100 -13.208 0.177 8.166 1.00 0.00 C ATOM 1437 O ALA A 100 -13.570 -0.793 8.830 1.00 0.00 O ATOM 1438 CB ALA A 100 -13.075 2.207 9.622 1.00 0.00 C ATOM 0 H ALA A 100 -11.853 2.913 7.591 1.00 0.00 H new ATOM 0 HA ALA A 100 -11.554 0.721 9.396 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -13.612 1.659 10.396 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -12.394 2.919 10.088 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -13.788 2.744 8.996 1.00 0.00 H new ATOM 1444 N GLN A 101 -13.586 0.376 6.908 1.00 0.00 N ATOM 1445 CA GLN A 101 -14.471 -0.557 6.220 1.00 0.00 C ATOM 1446 C GLN A 101 -13.679 -1.709 5.611 1.00 0.00 C ATOM 1447 O GLN A 101 -14.083 -2.868 5.701 1.00 0.00 O ATOM 1448 CB GLN A 101 -15.261 0.168 5.128 1.00 0.00 C ATOM 1449 CG GLN A 101 -16.318 1.116 5.670 1.00 0.00 C ATOM 1450 CD GLN A 101 -15.745 2.144 6.626 1.00 0.00 C ATOM 1451 OE1 GLN A 101 -14.635 2.641 6.429 1.00 0.00 O ATOM 1452 NE2 GLN A 101 -16.501 2.470 7.668 1.00 0.00 N ATOM 0 H GLN A 101 -13.294 1.174 6.344 1.00 0.00 H new ATOM 0 HA GLN A 101 -15.167 -0.966 6.952 1.00 0.00 H new ATOM 0 HB2 GLN A 101 -14.568 0.730 4.502 1.00 0.00 H new ATOM 0 HB3 GLN A 101 -15.742 -0.571 4.487 1.00 0.00 H new ATOM 0 HG2 GLN A 101 -16.802 1.629 4.838 1.00 0.00 H new ATOM 0 HG3 GLN A 101 -17.089 0.540 6.181 1.00 0.00 H new ATOM 0 HE21 GLN A 101 -17.414 2.033 7.792 1.00 0.00 H new ATOM 0 HE22 GLN A 101 -16.168 3.157 8.344 1.00 0.00 H new ATOM 1461 N GLY A 102 -12.549 -1.383 4.991 1.00 0.00 N ATOM 1462 CA GLY A 102 -11.719 -2.402 4.376 1.00 0.00 C ATOM 1463 C GLY A 102 -10.636 -1.814 3.494 1.00 0.00 C ATOM 1464 O GLY A 102 -10.290 -0.640 3.626 1.00 0.00 O ATOM 0 H GLY A 102 -12.194 -0.431 4.904 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -11.259 -3.010 5.155 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -12.346 -3.067 3.782 1.00 0.00 H new ATOM 1468 N GLU A 103 -10.098 -2.631 2.594 1.00 0.00 N ATOM 1469 CA GLU A 103 -9.045 -2.184 1.690 1.00 0.00 C ATOM 1470 C GLU A 103 -9.593 -1.966 0.282 1.00 0.00 C ATOM 1471 O GLU A 103 -10.735 -2.319 -0.012 1.00 0.00 O ATOM 1472 CB GLU A 103 -7.906 -3.205 1.653 1.00 0.00 C ATOM 1473 CG GLU A 103 -7.437 -3.643 3.031 1.00 0.00 C ATOM 1474 CD GLU A 103 -6.195 -4.511 2.975 1.00 0.00 C ATOM 1475 OE1 GLU A 103 -6.014 -5.225 1.967 1.00 0.00 O ATOM 1476 OE2 GLU A 103 -5.403 -4.475 3.940 1.00 0.00 O ATOM 0 H GLU A 103 -10.374 -3.605 2.472 1.00 0.00 H new ATOM 0 HA GLU A 103 -8.660 -1.235 2.063 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -8.233 -4.082 1.094 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -7.063 -2.777 1.110 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -7.233 -2.761 3.639 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -8.238 -4.192 3.526 1.00 0.00 H new ATOM 1483 N SER A 104 -8.771 -1.381 -0.583 1.00 0.00 N ATOM 1484 CA SER A 104 -9.173 -1.112 -1.958 1.00 0.00 C ATOM 1485 C SER A 104 -8.279 -1.859 -2.942 1.00 0.00 C ATOM 1486 O SER A 104 -7.241 -2.405 -2.565 1.00 0.00 O ATOM 1487 CB SER A 104 -9.120 0.390 -2.242 1.00 0.00 C ATOM 1488 OG SER A 104 -9.074 0.644 -3.636 1.00 0.00 O ATOM 0 H SER A 104 -7.822 -1.084 -0.356 1.00 0.00 H new ATOM 0 HA SER A 104 -10.197 -1.463 -2.086 1.00 0.00 H new ATOM 0 HB2 SER A 104 -9.994 0.876 -1.809 1.00 0.00 H new ATOM 0 HB3 SER A 104 -8.243 0.824 -1.761 1.00 0.00 H new ATOM 0 HG SER A 104 -9.969 0.886 -3.954 1.00 0.00 H new ATOM 1494 N VAL A 105 -8.689 -1.880 -4.207 1.00 0.00 N ATOM 1495 CA VAL A 105 -7.925 -2.559 -5.247 1.00 0.00 C ATOM 1496 C VAL A 105 -6.463 -2.128 -5.225 1.00 0.00 C ATOM 1497 O VAL A 105 -6.118 -1.096 -4.649 1.00 0.00 O ATOM 1498 CB VAL A 105 -8.510 -2.282 -6.644 1.00 0.00 C ATOM 1499 CG1 VAL A 105 -9.940 -2.792 -6.736 1.00 0.00 C ATOM 1500 CG2 VAL A 105 -8.444 -0.796 -6.963 1.00 0.00 C ATOM 0 H VAL A 105 -9.546 -1.435 -4.536 1.00 0.00 H new ATOM 0 HA VAL A 105 -7.989 -3.627 -5.040 1.00 0.00 H new ATOM 0 HB VAL A 105 -7.912 -2.816 -7.382 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -10.336 -2.587 -7.731 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -9.956 -3.867 -6.554 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -10.555 -2.288 -5.990 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -8.861 -0.618 -7.954 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -9.017 -0.239 -6.222 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -7.406 -0.465 -6.942 1.00 0.00 H new ATOM 1510 N ASP A 106 -5.608 -2.925 -5.856 1.00 0.00 N ATOM 1511 CA ASP A 106 -4.182 -2.626 -5.911 1.00 0.00 C ATOM 1512 C ASP A 106 -3.881 -1.615 -7.014 1.00 0.00 C ATOM 1513 O ASP A 106 -4.183 -1.850 -8.184 1.00 0.00 O ATOM 1514 CB ASP A 106 -3.378 -3.906 -6.143 1.00 0.00 C ATOM 1515 CG ASP A 106 -4.145 -4.931 -6.956 1.00 0.00 C ATOM 1516 OD1 ASP A 106 -4.121 -4.840 -8.201 1.00 0.00 O ATOM 1517 OD2 ASP A 106 -4.767 -5.826 -6.347 1.00 0.00 O ATOM 0 H ASP A 106 -5.878 -3.783 -6.337 1.00 0.00 H new ATOM 0 HA ASP A 106 -3.890 -2.192 -4.955 1.00 0.00 H new ATOM 0 HB2 ASP A 106 -2.449 -3.660 -6.657 1.00 0.00 H new ATOM 0 HB3 ASP A 106 -3.105 -4.340 -5.181 1.00 0.00 H new ATOM 1522 N SER A 107 -3.285 -0.490 -6.632 1.00 0.00 N ATOM 1523 CA SER A 107 -2.947 0.559 -7.587 1.00 0.00 C ATOM 1524 C SER A 107 -2.048 0.017 -8.694 1.00 0.00 C ATOM 1525 O SER A 107 -1.685 -1.159 -8.693 1.00 0.00 O ATOM 1526 CB SER A 107 -2.255 1.723 -6.876 1.00 0.00 C ATOM 1527 OG SER A 107 -1.063 1.295 -6.240 1.00 0.00 O ATOM 0 H SER A 107 -3.026 -0.282 -5.668 1.00 0.00 H new ATOM 0 HA SER A 107 -3.873 0.917 -8.037 1.00 0.00 H new ATOM 0 HB2 SER A 107 -2.025 2.508 -7.596 1.00 0.00 H new ATOM 0 HB3 SER A 107 -2.930 2.155 -6.137 1.00 0.00 H new ATOM 0 HG SER A 107 -0.519 0.784 -6.875 1.00 0.00 H new ATOM 1533 N ALA A 108 -1.691 0.884 -9.636 1.00 0.00 N ATOM 1534 CA ALA A 108 -0.832 0.494 -10.747 1.00 0.00 C ATOM 1535 C ALA A 108 0.427 -0.207 -10.248 1.00 0.00 C ATOM 1536 O ALA A 108 1.284 0.410 -9.616 1.00 0.00 O ATOM 1537 CB ALA A 108 -0.465 1.711 -11.583 1.00 0.00 C ATOM 0 H ALA A 108 -1.983 1.861 -9.652 1.00 0.00 H new ATOM 0 HA ALA A 108 -1.384 -0.209 -11.371 1.00 0.00 H new ATOM 0 HB1 ALA A 108 0.177 1.405 -12.409 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -1.372 2.168 -11.978 1.00 0.00 H new ATOM 0 HB3 ALA A 108 0.064 2.433 -10.961 1.00 0.00 H new ATOM 1543 N VAL A 109 0.533 -1.500 -10.537 1.00 0.00 N ATOM 1544 CA VAL A 109 1.688 -2.285 -10.118 1.00 0.00 C ATOM 1545 C VAL A 109 2.988 -1.644 -10.589 1.00 0.00 C ATOM 1546 O VAL A 109 3.335 -1.713 -11.767 1.00 0.00 O ATOM 1547 CB VAL A 109 1.613 -3.725 -10.658 1.00 0.00 C ATOM 1548 CG1 VAL A 109 1.500 -3.722 -12.175 1.00 0.00 C ATOM 1549 CG2 VAL A 109 2.826 -4.526 -10.208 1.00 0.00 C ATOM 0 H VAL A 109 -0.167 -2.026 -11.060 1.00 0.00 H new ATOM 0 HA VAL A 109 1.674 -2.312 -9.028 1.00 0.00 H new ATOM 0 HB VAL A 109 0.720 -4.200 -10.252 1.00 0.00 H new ATOM 0 HG11 VAL A 109 1.448 -4.748 -12.538 1.00 0.00 H new ATOM 0 HG12 VAL A 109 0.598 -3.186 -12.472 1.00 0.00 H new ATOM 0 HG13 VAL A 109 2.372 -3.229 -12.604 1.00 0.00 H new ATOM 0 HG21 VAL A 109 2.757 -5.541 -10.598 1.00 0.00 H new ATOM 0 HG22 VAL A 109 3.734 -4.054 -10.584 1.00 0.00 H new ATOM 0 HG23 VAL A 109 2.858 -4.557 -9.119 1.00 0.00 H new ATOM 1559 N ALA A 110 3.704 -1.020 -9.659 1.00 0.00 N ATOM 1560 CA ALA A 110 4.968 -0.368 -9.979 1.00 0.00 C ATOM 1561 C ALA A 110 6.120 -1.366 -9.964 1.00 0.00 C ATOM 1562 O ALA A 110 6.656 -1.695 -8.906 1.00 0.00 O ATOM 1563 CB ALA A 110 5.238 0.767 -9.002 1.00 0.00 C ATOM 0 H ALA A 110 3.430 -0.952 -8.679 1.00 0.00 H new ATOM 0 HA ALA A 110 4.892 0.043 -10.986 1.00 0.00 H new ATOM 0 HB1 ALA A 110 6.185 1.245 -9.252 1.00 0.00 H new ATOM 0 HB2 ALA A 110 4.434 1.500 -9.064 1.00 0.00 H new ATOM 0 HB3 ALA A 110 5.289 0.370 -7.988 1.00 0.00 H new ATOM 1569 N ALA A 111 6.496 -1.847 -11.145 1.00 0.00 N ATOM 1570 CA ALA A 111 7.586 -2.807 -11.267 1.00 0.00 C ATOM 1571 C ALA A 111 8.872 -2.259 -10.657 1.00 0.00 C ATOM 1572 O ALA A 111 9.459 -1.308 -11.172 1.00 0.00 O ATOM 1573 CB ALA A 111 7.806 -3.172 -12.727 1.00 0.00 C ATOM 0 H ALA A 111 6.062 -1.587 -12.031 1.00 0.00 H new ATOM 0 HA ALA A 111 7.309 -3.706 -10.717 1.00 0.00 H new ATOM 0 HB1 ALA A 111 8.623 -3.890 -12.804 1.00 0.00 H new ATOM 0 HB2 ALA A 111 6.896 -3.614 -13.133 1.00 0.00 H new ATOM 0 HB3 ALA A 111 8.057 -2.275 -13.293 1.00 0.00 H new ATOM 1579 N VAL A 112 9.304 -2.865 -9.556 1.00 0.00 N ATOM 1580 CA VAL A 112 10.521 -2.438 -8.876 1.00 0.00 C ATOM 1581 C VAL A 112 11.751 -2.691 -9.740 1.00 0.00 C ATOM 1582 O VAL A 112 11.882 -3.728 -10.390 1.00 0.00 O ATOM 1583 CB VAL A 112 10.696 -3.165 -7.529 1.00 0.00 C ATOM 1584 CG1 VAL A 112 12.002 -2.755 -6.866 1.00 0.00 C ATOM 1585 CG2 VAL A 112 9.513 -2.883 -6.614 1.00 0.00 C ATOM 0 H VAL A 112 8.829 -3.653 -9.116 1.00 0.00 H new ATOM 0 HA VAL A 112 10.422 -1.368 -8.693 1.00 0.00 H new ATOM 0 HB VAL A 112 10.733 -4.238 -7.717 1.00 0.00 H new ATOM 0 HG11 VAL A 112 12.108 -3.279 -5.916 1.00 0.00 H new ATOM 0 HG12 VAL A 112 12.837 -3.012 -7.517 1.00 0.00 H new ATOM 0 HG13 VAL A 112 11.998 -1.679 -6.689 1.00 0.00 H new ATOM 0 HG21 VAL A 112 9.653 -3.404 -5.667 1.00 0.00 H new ATOM 0 HG22 VAL A 112 9.442 -1.811 -6.431 1.00 0.00 H new ATOM 0 HG23 VAL A 112 8.595 -3.232 -7.088 1.00 0.00 H new ATOM 1595 N PRO A 113 12.677 -1.720 -9.749 1.00 0.00 N ATOM 1596 CA PRO A 113 13.914 -1.814 -10.529 1.00 0.00 C ATOM 1597 C PRO A 113 14.874 -2.859 -9.970 1.00 0.00 C ATOM 1598 O PRO A 113 14.967 -3.067 -8.760 1.00 0.00 O ATOM 1599 CB PRO A 113 14.519 -0.413 -10.406 1.00 0.00 C ATOM 1600 CG PRO A 113 13.966 0.127 -9.133 1.00 0.00 C ATOM 1601 CD PRO A 113 12.587 -0.457 -8.999 1.00 0.00 C ATOM 0 HA PRO A 113 13.725 -2.123 -11.557 1.00 0.00 H new ATOM 0 HB2 PRO A 113 15.608 -0.453 -10.379 1.00 0.00 H new ATOM 0 HB3 PRO A 113 14.244 0.213 -11.255 1.00 0.00 H new ATOM 0 HG2 PRO A 113 14.592 -0.153 -8.286 1.00 0.00 H new ATOM 0 HG3 PRO A 113 13.928 1.216 -9.155 1.00 0.00 H new ATOM 0 HD2 PRO A 113 12.323 -0.627 -7.955 1.00 0.00 H new ATOM 0 HD3 PRO A 113 11.828 0.205 -9.416 1.00 0.00 H new ATOM 1609 N PRO A 114 15.606 -3.533 -10.870 1.00 0.00 N ATOM 1610 CA PRO A 114 16.572 -4.567 -10.489 1.00 0.00 C ATOM 1611 C PRO A 114 17.794 -3.988 -9.784 1.00 0.00 C ATOM 1612 O PRO A 114 18.492 -4.690 -9.054 1.00 0.00 O ATOM 1613 CB PRO A 114 16.973 -5.189 -11.829 1.00 0.00 C ATOM 1614 CG PRO A 114 16.730 -4.116 -12.833 1.00 0.00 C ATOM 1615 CD PRO A 114 15.546 -3.338 -12.328 1.00 0.00 C ATOM 0 HA PRO A 114 16.148 -5.280 -9.782 1.00 0.00 H new ATOM 0 HB2 PRO A 114 18.018 -5.498 -11.825 1.00 0.00 H new ATOM 0 HB3 PRO A 114 16.379 -6.077 -12.047 1.00 0.00 H new ATOM 0 HG2 PRO A 114 17.604 -3.473 -12.937 1.00 0.00 H new ATOM 0 HG3 PRO A 114 16.528 -4.540 -13.817 1.00 0.00 H new ATOM 0 HD2 PRO A 114 15.614 -2.284 -12.595 1.00 0.00 H new ATOM 0 HD3 PRO A 114 14.611 -3.713 -12.745 1.00 0.00 H new ATOM 1623 N GLU A 115 18.046 -2.702 -10.008 1.00 0.00 N ATOM 1624 CA GLU A 115 19.185 -2.029 -9.394 1.00 0.00 C ATOM 1625 C GLU A 115 18.958 -1.833 -7.897 1.00 0.00 C ATOM 1626 O GLU A 115 19.906 -1.827 -7.110 1.00 0.00 O ATOM 1627 CB GLU A 115 19.429 -0.675 -10.065 1.00 0.00 C ATOM 1628 CG GLU A 115 18.467 0.411 -9.613 1.00 0.00 C ATOM 1629 CD GLU A 115 18.736 1.744 -10.283 1.00 0.00 C ATOM 1630 OE1 GLU A 115 18.199 1.971 -11.387 1.00 0.00 O ATOM 1631 OE2 GLU A 115 19.483 2.559 -9.704 1.00 0.00 O ATOM 0 H GLU A 115 17.477 -2.106 -10.609 1.00 0.00 H new ATOM 0 HA GLU A 115 20.064 -2.658 -9.532 1.00 0.00 H new ATOM 0 HB2 GLU A 115 20.450 -0.354 -9.856 1.00 0.00 H new ATOM 0 HB3 GLU A 115 19.347 -0.794 -11.145 1.00 0.00 H new ATOM 0 HG2 GLU A 115 17.445 0.099 -9.830 1.00 0.00 H new ATOM 0 HG3 GLU A 115 18.541 0.530 -8.532 1.00 0.00 H new ATOM 1638 N LEU A 116 17.697 -1.673 -7.512 1.00 0.00 N ATOM 1639 CA LEU A 116 17.345 -1.476 -6.110 1.00 0.00 C ATOM 1640 C LEU A 116 17.147 -2.814 -5.405 1.00 0.00 C ATOM 1641 O LEU A 116 17.362 -2.930 -4.198 1.00 0.00 O ATOM 1642 CB LEU A 116 16.073 -0.634 -5.997 1.00 0.00 C ATOM 1643 CG LEU A 116 16.147 0.776 -6.584 1.00 0.00 C ATOM 1644 CD1 LEU A 116 14.867 1.544 -6.291 1.00 0.00 C ATOM 1645 CD2 LEU A 116 17.355 1.520 -6.033 1.00 0.00 C ATOM 0 H LEU A 116 16.901 -1.676 -8.150 1.00 0.00 H new ATOM 0 HA LEU A 116 18.167 -0.949 -5.625 1.00 0.00 H new ATOM 0 HB2 LEU A 116 15.262 -1.169 -6.491 1.00 0.00 H new ATOM 0 HB3 LEU A 116 15.807 -0.554 -4.943 1.00 0.00 H new ATOM 0 HG LEU A 116 16.258 0.694 -7.665 1.00 0.00 H new ATOM 0 HD11 LEU A 116 14.938 2.545 -6.716 1.00 0.00 H new ATOM 0 HD12 LEU A 116 14.019 1.021 -6.734 1.00 0.00 H new ATOM 0 HD13 LEU A 116 14.725 1.617 -5.213 1.00 0.00 H new ATOM 0 HD21 LEU A 116 17.392 2.522 -6.461 1.00 0.00 H new ATOM 0 HD22 LEU A 116 17.274 1.592 -4.948 1.00 0.00 H new ATOM 0 HD23 LEU A 116 18.265 0.980 -6.294 1.00 0.00 H new ATOM 1657 N LEU A 117 16.737 -3.823 -6.167 1.00 0.00 N ATOM 1658 CA LEU A 117 16.512 -5.155 -5.616 1.00 0.00 C ATOM 1659 C LEU A 117 17.831 -5.809 -5.217 1.00 0.00 C ATOM 1660 O LEU A 117 17.916 -6.483 -4.190 1.00 0.00 O ATOM 1661 CB LEU A 117 15.783 -6.033 -6.635 1.00 0.00 C ATOM 1662 CG LEU A 117 14.322 -5.672 -6.907 1.00 0.00 C ATOM 1663 CD1 LEU A 117 13.882 -6.212 -8.260 1.00 0.00 C ATOM 1664 CD2 LEU A 117 13.425 -6.208 -5.800 1.00 0.00 C ATOM 0 H LEU A 117 16.554 -3.744 -7.167 1.00 0.00 H new ATOM 0 HA LEU A 117 15.894 -5.053 -4.724 1.00 0.00 H new ATOM 0 HB2 LEU A 117 16.329 -5.991 -7.578 1.00 0.00 H new ATOM 0 HB3 LEU A 117 15.823 -7.066 -6.290 1.00 0.00 H new ATOM 0 HG LEU A 117 14.233 -4.586 -6.925 1.00 0.00 H new ATOM 0 HD11 LEU A 117 12.840 -5.946 -8.437 1.00 0.00 H new ATOM 0 HD12 LEU A 117 14.505 -5.781 -9.044 1.00 0.00 H new ATOM 0 HD13 LEU A 117 13.986 -7.297 -8.270 1.00 0.00 H new ATOM 0 HD21 LEU A 117 12.389 -5.942 -6.010 1.00 0.00 H new ATOM 0 HD22 LEU A 117 13.518 -7.293 -5.750 1.00 0.00 H new ATOM 0 HD23 LEU A 117 13.725 -5.774 -4.846 1.00 0.00 H new ATOM 1676 N VAL A 118 18.860 -5.603 -6.033 1.00 0.00 N ATOM 1677 CA VAL A 118 20.175 -6.169 -5.763 1.00 0.00 C ATOM 1678 C VAL A 118 20.933 -5.335 -4.737 1.00 0.00 C ATOM 1679 O VAL A 118 20.958 -4.106 -4.796 1.00 0.00 O ATOM 1680 CB VAL A 118 21.018 -6.270 -7.049 1.00 0.00 C ATOM 1681 CG1 VAL A 118 21.066 -4.927 -7.762 1.00 0.00 C ATOM 1682 CG2 VAL A 118 22.421 -6.764 -6.729 1.00 0.00 C ATOM 0 H VAL A 118 18.807 -5.048 -6.887 1.00 0.00 H new ATOM 0 HA VAL A 118 20.012 -7.170 -5.364 1.00 0.00 H new ATOM 0 HB VAL A 118 20.547 -6.992 -7.716 1.00 0.00 H new ATOM 0 HG11 VAL A 118 21.666 -5.017 -8.668 1.00 0.00 H new ATOM 0 HG12 VAL A 118 20.054 -4.619 -8.026 1.00 0.00 H new ATOM 0 HG13 VAL A 118 21.513 -4.182 -7.104 1.00 0.00 H new ATOM 0 HG21 VAL A 118 23.002 -6.829 -7.649 1.00 0.00 H new ATOM 0 HG22 VAL A 118 22.904 -6.068 -6.043 1.00 0.00 H new ATOM 0 HG23 VAL A 118 22.363 -7.749 -6.266 1.00 0.00 H new