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 99 SER OG : rot -41:sc= 0.0985 USER MOD Set 1.2: A 101 GLN : amide:sc= -0.659 K(o=-0.56,f=-11!) USER MOD Set 2.1: A 97 THR OG1 : rot 179:sc= -1.21 USER MOD Set 2.2: A 104 SER OG : rot 180:sc= 0.396 USER MOD Set 3.1: A 45 THR OG1 : rot -82:sc= -0.224 USER MOD Set 3.2: A 47 THR OG1 : rot 180:sc= 0 USER MOD Set 4.1: A 31 THR OG1 : rot 180:sc= 1.05 USER MOD Set 4.2: A 34 THR OG1 : rot -118:sc= 1.24 USER MOD Single : A 22 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 THR OG1 : rot 180:sc= -0.675 USER MOD Single : A 27 GLN : amide:sc= -0.141 K(o=-0.14,f=-2!) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 ASN : amide:sc= 0.369 K(o=0.37,f=-1.9!) USER MOD Single : A 54 ASN : amide:sc= -0.263 K(o=-0.26,f=-1.2) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 TYR OH : rot 157:sc= 0.503 USER MOD Single : A 61 TYR OH : rot -5:sc= -0.473 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 GLN : amide:sc= -2.99! C(o=-3!,f=-3.3!) USER MOD Single : A 74 THR OG1 : rot 104:sc= -0.545! USER MOD Single : A 77 SER OG : rot -79:sc= 0.0744 USER MOD Single : A 78 THR OG1 : rot -159:sc= -0.367 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ 160:sc= -0.0332 (180deg=-0.317) USER MOD Single : A 94 THR OG1 : rot -135:sc= -0.818 USER MOD Single : A 107 SER OG : rot 19:sc= -3.37! USER MOD ----------------------------------------------------------------- ATOM 185 N GLY A 16 -17.273 2.870 1.199 1.00 0.00 N ATOM 186 CA GLY A 16 -16.242 2.255 0.383 1.00 0.00 C ATOM 187 C GLY A 16 -16.809 1.550 -0.833 1.00 0.00 C ATOM 188 O GLY A 16 -18.016 1.555 -1.074 1.00 0.00 O ATOM 0 HA2 GLY A 16 -15.535 3.019 0.059 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -15.684 1.539 0.987 1.00 0.00 H new ATOM 192 N PRO A 17 -15.924 0.928 -1.627 1.00 0.00 N ATOM 193 CA PRO A 17 -14.484 0.916 -1.351 1.00 0.00 C ATOM 194 C PRO A 17 -13.845 2.287 -1.548 1.00 0.00 C ATOM 195 O PRO A 17 -14.301 3.102 -2.350 1.00 0.00 O ATOM 196 CB PRO A 17 -13.935 -0.082 -2.373 1.00 0.00 C ATOM 197 CG PRO A 17 -14.921 -0.061 -3.490 1.00 0.00 C ATOM 198 CD PRO A 17 -16.261 0.189 -2.855 1.00 0.00 C ATOM 0 HA PRO A 17 -14.269 0.648 -0.316 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -12.942 0.208 -2.716 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -13.845 -1.080 -1.943 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -14.678 0.721 -4.210 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -14.916 -1.006 -4.032 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -16.913 0.770 -3.508 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -16.781 -0.743 -2.633 1.00 0.00 H new ATOM 206 N PRO A 18 -12.763 2.549 -0.800 1.00 0.00 N ATOM 207 CA PRO A 18 -12.037 3.820 -0.875 1.00 0.00 C ATOM 208 C PRO A 18 -11.287 3.982 -2.193 1.00 0.00 C ATOM 209 O PRO A 18 -10.732 3.020 -2.724 1.00 0.00 O ATOM 210 CB PRO A 18 -11.053 3.737 0.294 1.00 0.00 C ATOM 211 CG PRO A 18 -10.854 2.278 0.519 1.00 0.00 C ATOM 212 CD PRO A 18 -12.164 1.624 0.177 1.00 0.00 C ATOM 0 HA PRO A 18 -12.709 4.677 -0.823 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -10.112 4.233 0.055 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -11.453 4.224 1.183 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -10.050 1.893 -0.108 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -10.576 2.077 1.554 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -12.018 0.631 -0.247 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -12.796 1.505 1.057 1.00 0.00 H new ATOM 220 N ALA A 19 -11.273 5.204 -2.715 1.00 0.00 N ATOM 221 CA ALA A 19 -10.588 5.491 -3.969 1.00 0.00 C ATOM 222 C ALA A 19 -9.103 5.157 -3.873 1.00 0.00 C ATOM 223 O ALA A 19 -8.366 5.721 -3.064 1.00 0.00 O ATOM 224 CB ALA A 19 -10.778 6.952 -4.351 1.00 0.00 C ATOM 0 H ALA A 19 -11.728 6.011 -2.289 1.00 0.00 H new ATOM 0 HA ALA A 19 -11.025 4.863 -4.745 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -10.261 7.153 -5.289 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -11.841 7.162 -4.470 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -10.368 7.589 -3.567 1.00 0.00 H new ATOM 230 N PRO A 20 -8.652 4.216 -4.716 1.00 0.00 N ATOM 231 CA PRO A 20 -7.252 3.785 -4.745 1.00 0.00 C ATOM 232 C PRO A 20 -6.325 4.862 -5.296 1.00 0.00 C ATOM 233 O PRO A 20 -6.699 5.653 -6.163 1.00 0.00 O ATOM 234 CB PRO A 20 -7.274 2.570 -5.676 1.00 0.00 C ATOM 235 CG PRO A 20 -8.459 2.786 -6.553 1.00 0.00 C ATOM 236 CD PRO A 20 -9.475 3.501 -5.706 1.00 0.00 C ATOM 0 HA PRO A 20 -6.872 3.567 -3.747 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -6.356 2.502 -6.260 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -7.363 1.641 -5.113 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -8.194 3.379 -7.428 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -8.853 1.837 -6.918 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -10.079 4.189 -6.298 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -10.162 2.803 -5.228 1.00 0.00 H new ATOM 244 N PRO A 21 -5.085 4.896 -4.785 1.00 0.00 N ATOM 245 CA PRO A 21 -4.079 5.873 -5.213 1.00 0.00 C ATOM 246 C PRO A 21 -3.590 5.616 -6.634 1.00 0.00 C ATOM 247 O PRO A 21 -3.918 4.595 -7.237 1.00 0.00 O ATOM 248 CB PRO A 21 -2.939 5.669 -4.211 1.00 0.00 C ATOM 249 CG PRO A 21 -3.093 4.264 -3.742 1.00 0.00 C ATOM 250 CD PRO A 21 -4.571 3.984 -3.749 1.00 0.00 C ATOM 0 HA PRO A 21 -4.476 6.888 -5.228 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -1.967 5.826 -4.680 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -3.010 6.373 -3.382 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -2.562 3.574 -4.397 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -2.677 4.139 -2.742 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -4.782 2.942 -3.990 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -5.023 4.184 -2.777 1.00 0.00 H new ATOM 258 N GLN A 22 -2.806 6.550 -7.163 1.00 0.00 N ATOM 259 CA GLN A 22 -2.273 6.424 -8.514 1.00 0.00 C ATOM 260 C GLN A 22 -0.851 6.970 -8.592 1.00 0.00 C ATOM 261 O GLN A 22 -0.267 7.354 -7.579 1.00 0.00 O ATOM 262 CB GLN A 22 -3.170 7.161 -9.510 1.00 0.00 C ATOM 263 CG GLN A 22 -4.534 6.515 -9.694 1.00 0.00 C ATOM 264 CD GLN A 22 -5.394 7.246 -10.707 1.00 0.00 C ATOM 265 OE1 GLN A 22 -5.971 8.292 -10.408 1.00 0.00 O ATOM 266 NE2 GLN A 22 -5.483 6.698 -11.913 1.00 0.00 N ATOM 0 H GLN A 22 -2.526 7.402 -6.677 1.00 0.00 H new ATOM 0 HA GLN A 22 -2.250 5.365 -8.771 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -3.306 8.188 -9.172 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -2.666 7.207 -10.475 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -4.402 5.481 -10.014 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -5.052 6.489 -8.735 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -4.988 5.830 -12.117 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -6.047 7.145 -12.636 1.00 0.00 H new ATOM 275 N ASP A 23 -0.300 7.000 -9.800 1.00 0.00 N ATOM 276 CA ASP A 23 1.054 7.500 -10.011 1.00 0.00 C ATOM 277 C ASP A 23 2.047 6.775 -9.108 1.00 0.00 C ATOM 278 O ASP A 23 3.016 7.366 -8.632 1.00 0.00 O ATOM 279 CB ASP A 23 1.112 9.005 -9.748 1.00 0.00 C ATOM 280 CG ASP A 23 0.849 9.822 -10.998 1.00 0.00 C ATOM 281 OD1 ASP A 23 0.144 9.319 -11.898 1.00 0.00 O ATOM 282 OD2 ASP A 23 1.348 10.964 -11.075 1.00 0.00 O ATOM 0 H ASP A 23 -0.770 6.684 -10.648 1.00 0.00 H new ATOM 0 HA ASP A 23 1.327 7.310 -11.049 1.00 0.00 H new ATOM 0 HB2 ASP A 23 0.378 9.266 -8.986 1.00 0.00 H new ATOM 0 HB3 ASP A 23 2.093 9.263 -9.348 1.00 0.00 H new ATOM 287 N VAL A 24 1.798 5.490 -8.874 1.00 0.00 N ATOM 288 CA VAL A 24 2.670 4.684 -8.028 1.00 0.00 C ATOM 289 C VAL A 24 4.042 4.502 -8.668 1.00 0.00 C ATOM 290 O VAL A 24 4.151 4.210 -9.860 1.00 0.00 O ATOM 291 CB VAL A 24 2.058 3.298 -7.751 1.00 0.00 C ATOM 292 CG1 VAL A 24 2.933 2.511 -6.787 1.00 0.00 C ATOM 293 CG2 VAL A 24 0.645 3.440 -7.206 1.00 0.00 C ATOM 0 H VAL A 24 0.999 4.985 -9.259 1.00 0.00 H new ATOM 0 HA VAL A 24 2.780 5.220 -7.085 1.00 0.00 H new ATOM 0 HB VAL A 24 2.008 2.748 -8.690 1.00 0.00 H new ATOM 0 HG11 VAL A 24 2.485 1.535 -6.603 1.00 0.00 H new ATOM 0 HG12 VAL A 24 3.924 2.379 -7.220 1.00 0.00 H new ATOM 0 HG13 VAL A 24 3.018 3.054 -5.846 1.00 0.00 H new ATOM 0 HG21 VAL A 24 0.227 2.451 -7.016 1.00 0.00 H new ATOM 0 HG22 VAL A 24 0.669 4.009 -6.276 1.00 0.00 H new ATOM 0 HG23 VAL A 24 0.025 3.962 -7.935 1.00 0.00 H new ATOM 303 N THR A 25 5.090 4.676 -7.869 1.00 0.00 N ATOM 304 CA THR A 25 6.456 4.533 -8.356 1.00 0.00 C ATOM 305 C THR A 25 7.404 4.139 -7.229 1.00 0.00 C ATOM 306 O THR A 25 7.034 4.170 -6.055 1.00 0.00 O ATOM 307 CB THR A 25 6.961 5.835 -9.005 1.00 0.00 C ATOM 308 OG1 THR A 25 8.392 5.836 -9.053 1.00 0.00 O ATOM 309 CG2 THR A 25 6.474 7.050 -8.230 1.00 0.00 C ATOM 0 H THR A 25 5.018 4.917 -6.880 1.00 0.00 H new ATOM 0 HA THR A 25 6.442 3.743 -9.107 1.00 0.00 H new ATOM 0 HB THR A 25 6.564 5.887 -10.019 1.00 0.00 H new ATOM 0 HG1 THR A 25 8.705 6.667 -9.469 1.00 0.00 H new ATOM 0 HG21 THR A 25 6.843 7.958 -8.707 1.00 0.00 H new ATOM 0 HG22 THR A 25 5.384 7.063 -8.220 1.00 0.00 H new ATOM 0 HG23 THR A 25 6.845 7.001 -7.206 1.00 0.00 H new ATOM 317 N VAL A 26 8.628 3.770 -7.593 1.00 0.00 N ATOM 318 CA VAL A 26 9.629 3.372 -6.611 1.00 0.00 C ATOM 319 C VAL A 26 10.917 4.170 -6.785 1.00 0.00 C ATOM 320 O VAL A 26 11.625 4.014 -7.780 1.00 0.00 O ATOM 321 CB VAL A 26 9.952 1.869 -6.716 1.00 0.00 C ATOM 322 CG1 VAL A 26 11.082 1.498 -5.768 1.00 0.00 C ATOM 323 CG2 VAL A 26 8.711 1.037 -6.430 1.00 0.00 C ATOM 0 H VAL A 26 8.950 3.738 -8.560 1.00 0.00 H new ATOM 0 HA VAL A 26 9.207 3.578 -5.627 1.00 0.00 H new ATOM 0 HB VAL A 26 10.279 1.655 -7.734 1.00 0.00 H new ATOM 0 HG11 VAL A 26 11.296 0.433 -5.856 1.00 0.00 H new ATOM 0 HG12 VAL A 26 11.974 2.070 -6.024 1.00 0.00 H new ATOM 0 HG13 VAL A 26 10.787 1.725 -4.744 1.00 0.00 H new ATOM 0 HG21 VAL A 26 8.957 -0.022 -6.508 1.00 0.00 H new ATOM 0 HG22 VAL A 26 8.352 1.253 -5.424 1.00 0.00 H new ATOM 0 HG23 VAL A 26 7.933 1.283 -7.153 1.00 0.00 H new ATOM 333 N GLN A 27 11.213 5.024 -5.811 1.00 0.00 N ATOM 334 CA GLN A 27 12.416 5.847 -5.857 1.00 0.00 C ATOM 335 C GLN A 27 13.586 5.139 -5.183 1.00 0.00 C ATOM 336 O GLN A 27 14.482 4.625 -5.852 1.00 0.00 O ATOM 337 CB GLN A 27 12.163 7.196 -5.182 1.00 0.00 C ATOM 338 CG GLN A 27 10.998 7.967 -5.781 1.00 0.00 C ATOM 339 CD GLN A 27 11.425 8.887 -6.907 1.00 0.00 C ATOM 340 OE1 GLN A 27 12.584 9.295 -6.986 1.00 0.00 O ATOM 341 NE2 GLN A 27 10.487 9.221 -7.787 1.00 0.00 N ATOM 0 H GLN A 27 10.637 5.164 -4.981 1.00 0.00 H new ATOM 0 HA GLN A 27 12.671 6.015 -6.903 1.00 0.00 H new ATOM 0 HB2 GLN A 27 11.972 7.032 -4.121 1.00 0.00 H new ATOM 0 HB3 GLN A 27 13.065 7.804 -5.254 1.00 0.00 H new ATOM 0 HG2 GLN A 27 10.255 7.263 -6.154 1.00 0.00 H new ATOM 0 HG3 GLN A 27 10.516 8.555 -5.000 1.00 0.00 H new ATOM 0 HE21 GLN A 27 9.539 8.860 -7.683 1.00 0.00 H new ATOM 0 HE22 GLN A 27 10.715 9.839 -8.566 1.00 0.00 H new ATOM 350 N ALA A 28 13.571 5.116 -3.854 1.00 0.00 N ATOM 351 CA ALA A 28 14.631 4.470 -3.089 1.00 0.00 C ATOM 352 C ALA A 28 14.324 4.496 -1.596 1.00 0.00 C ATOM 353 O ALA A 28 13.852 5.501 -1.067 1.00 0.00 O ATOM 354 CB ALA A 28 15.967 5.141 -3.367 1.00 0.00 C ATOM 0 H ALA A 28 12.837 5.537 -3.285 1.00 0.00 H new ATOM 0 HA ALA A 28 14.689 3.428 -3.403 1.00 0.00 H new ATOM 0 HB1 ALA A 28 16.749 4.648 -2.789 1.00 0.00 H new ATOM 0 HB2 ALA A 28 16.198 5.065 -4.429 1.00 0.00 H new ATOM 0 HB3 ALA A 28 15.913 6.192 -3.082 1.00 0.00 H new ATOM 360 N GLY A 29 14.594 3.383 -0.921 1.00 0.00 N ATOM 361 CA GLY A 29 14.340 3.300 0.505 1.00 0.00 C ATOM 362 C GLY A 29 15.527 3.749 1.333 1.00 0.00 C ATOM 363 O GLY A 29 16.674 3.451 1.000 1.00 0.00 O ATOM 0 H GLY A 29 14.984 2.537 -1.337 1.00 0.00 H new ATOM 0 HA2 GLY A 29 13.475 3.915 0.753 1.00 0.00 H new ATOM 0 HA3 GLY A 29 14.087 2.273 0.766 1.00 0.00 H new ATOM 367 N VAL A 30 15.253 4.470 2.416 1.00 0.00 N ATOM 368 CA VAL A 30 16.307 4.962 3.294 1.00 0.00 C ATOM 369 C VAL A 30 17.456 3.964 3.387 1.00 0.00 C ATOM 370 O VAL A 30 18.615 4.347 3.554 1.00 0.00 O ATOM 371 CB VAL A 30 15.772 5.245 4.711 1.00 0.00 C ATOM 372 CG1 VAL A 30 16.886 5.758 5.610 1.00 0.00 C ATOM 373 CG2 VAL A 30 14.620 6.237 4.656 1.00 0.00 C ATOM 0 H VAL A 30 14.309 4.726 2.706 1.00 0.00 H new ATOM 0 HA VAL A 30 16.672 5.892 2.859 1.00 0.00 H new ATOM 0 HB VAL A 30 15.399 4.312 5.133 1.00 0.00 H new ATOM 0 HG11 VAL A 30 16.489 5.952 6.606 1.00 0.00 H new ATOM 0 HG12 VAL A 30 17.676 5.010 5.674 1.00 0.00 H new ATOM 0 HG13 VAL A 30 17.293 6.680 5.195 1.00 0.00 H new ATOM 0 HG21 VAL A 30 14.254 6.426 5.665 1.00 0.00 H new ATOM 0 HG22 VAL A 30 14.966 7.172 4.215 1.00 0.00 H new ATOM 0 HG23 VAL A 30 13.814 5.825 4.049 1.00 0.00 H new ATOM 383 N THR A 31 17.128 2.681 3.276 1.00 0.00 N ATOM 384 CA THR A 31 18.131 1.626 3.348 1.00 0.00 C ATOM 385 C THR A 31 18.231 0.871 2.027 1.00 0.00 C ATOM 386 O THR A 31 17.299 0.854 1.222 1.00 0.00 O ATOM 387 CB THR A 31 17.815 0.626 4.476 1.00 0.00 C ATOM 388 OG1 THR A 31 16.408 0.362 4.517 1.00 0.00 O ATOM 389 CG2 THR A 31 18.275 1.165 5.822 1.00 0.00 C ATOM 0 H THR A 31 16.174 2.347 3.136 1.00 0.00 H new ATOM 0 HA THR A 31 19.084 2.110 3.559 1.00 0.00 H new ATOM 0 HB THR A 31 18.352 -0.300 4.271 1.00 0.00 H new ATOM 0 HG1 THR A 31 16.216 -0.276 5.236 1.00 0.00 H new ATOM 0 HG21 THR A 31 18.041 0.441 6.603 1.00 0.00 H new ATOM 0 HG22 THR A 31 19.351 1.336 5.797 1.00 0.00 H new ATOM 0 HG23 THR A 31 17.763 2.104 6.032 1.00 0.00 H new ATOM 397 N PRO A 32 19.386 0.229 1.797 1.00 0.00 N ATOM 398 CA PRO A 32 19.634 -0.541 0.575 1.00 0.00 C ATOM 399 C PRO A 32 18.800 -1.816 0.515 1.00 0.00 C ATOM 400 O PRO A 32 18.811 -2.530 -0.488 1.00 0.00 O ATOM 401 CB PRO A 32 21.124 -0.880 0.665 1.00 0.00 C ATOM 402 CG PRO A 32 21.432 -0.850 2.122 1.00 0.00 C ATOM 403 CD PRO A 32 20.539 0.206 2.713 1.00 0.00 C ATOM 0 HA PRO A 32 19.364 0.018 -0.321 1.00 0.00 H new ATOM 0 HB2 PRO A 32 21.334 -1.860 0.236 1.00 0.00 H new ATOM 0 HB3 PRO A 32 21.728 -0.157 0.118 1.00 0.00 H new ATOM 0 HG2 PRO A 32 21.244 -1.821 2.580 1.00 0.00 H new ATOM 0 HG3 PRO A 32 22.482 -0.614 2.294 1.00 0.00 H new ATOM 0 HD2 PRO A 32 20.239 -0.045 3.730 1.00 0.00 H new ATOM 0 HD3 PRO A 32 21.037 1.175 2.757 1.00 0.00 H new ATOM 411 N ALA A 33 18.078 -2.097 1.594 1.00 0.00 N ATOM 412 CA ALA A 33 17.237 -3.286 1.662 1.00 0.00 C ATOM 413 C ALA A 33 15.758 -2.916 1.608 1.00 0.00 C ATOM 414 O ALA A 33 14.887 -3.773 1.758 1.00 0.00 O ATOM 415 CB ALA A 33 17.539 -4.074 2.928 1.00 0.00 C ATOM 0 H ALA A 33 18.058 -1.518 2.433 1.00 0.00 H new ATOM 0 HA ALA A 33 17.461 -3.909 0.796 1.00 0.00 H new ATOM 0 HB1 ALA A 33 16.904 -4.959 2.966 1.00 0.00 H new ATOM 0 HB2 ALA A 33 18.586 -4.378 2.926 1.00 0.00 H new ATOM 0 HB3 ALA A 33 17.344 -3.450 3.800 1.00 0.00 H new ATOM 421 N THR A 34 15.481 -1.633 1.393 1.00 0.00 N ATOM 422 CA THR A 34 14.108 -1.149 1.321 1.00 0.00 C ATOM 423 C THR A 34 13.927 -0.182 0.157 1.00 0.00 C ATOM 424 O THR A 34 14.898 0.223 -0.483 1.00 0.00 O ATOM 425 CB THR A 34 13.691 -0.448 2.627 1.00 0.00 C ATOM 426 OG1 THR A 34 14.418 0.776 2.780 1.00 0.00 O ATOM 427 CG2 THR A 34 13.942 -1.346 3.829 1.00 0.00 C ATOM 0 H THR A 34 16.190 -0.911 1.266 1.00 0.00 H new ATOM 0 HA THR A 34 13.472 -2.021 1.167 1.00 0.00 H new ATOM 0 HB THR A 34 12.624 -0.232 2.572 1.00 0.00 H new ATOM 0 HG1 THR A 34 14.965 0.733 3.592 1.00 0.00 H new ATOM 0 HG21 THR A 34 13.639 -0.828 4.739 1.00 0.00 H new ATOM 0 HG22 THR A 34 13.364 -2.264 3.724 1.00 0.00 H new ATOM 0 HG23 THR A 34 15.003 -1.590 3.886 1.00 0.00 H new ATOM 435 N ILE A 35 12.679 0.186 -0.111 1.00 0.00 N ATOM 436 CA ILE A 35 12.371 1.108 -1.197 1.00 0.00 C ATOM 437 C ILE A 35 11.329 2.135 -0.768 1.00 0.00 C ATOM 438 O ILE A 35 10.717 2.007 0.292 1.00 0.00 O ATOM 439 CB ILE A 35 11.857 0.361 -2.442 1.00 0.00 C ATOM 440 CG1 ILE A 35 10.819 -0.690 -2.040 1.00 0.00 C ATOM 441 CG2 ILE A 35 13.014 -0.288 -3.186 1.00 0.00 C ATOM 442 CD1 ILE A 35 9.852 -1.039 -3.149 1.00 0.00 C ATOM 0 H ILE A 35 11.864 -0.140 0.409 1.00 0.00 H new ATOM 0 HA ILE A 35 13.300 1.620 -1.448 1.00 0.00 H new ATOM 0 HB ILE A 35 11.380 1.080 -3.108 1.00 0.00 H new ATOM 0 HG12 ILE A 35 11.335 -1.595 -1.721 1.00 0.00 H new ATOM 0 HG13 ILE A 35 10.257 -0.324 -1.181 1.00 0.00 H new ATOM 0 HG21 ILE A 35 12.634 -0.812 -4.063 1.00 0.00 H new ATOM 0 HG22 ILE A 35 13.721 0.480 -3.500 1.00 0.00 H new ATOM 0 HG23 ILE A 35 13.517 -0.998 -2.529 1.00 0.00 H new ATOM 0 HD11 ILE A 35 9.146 -1.789 -2.793 1.00 0.00 H new ATOM 0 HD12 ILE A 35 9.309 -0.144 -3.453 1.00 0.00 H new ATOM 0 HD13 ILE A 35 10.404 -1.436 -4.001 1.00 0.00 H new ATOM 454 N ARG A 36 11.132 3.153 -1.600 1.00 0.00 N ATOM 455 CA ARG A 36 10.163 4.203 -1.307 1.00 0.00 C ATOM 456 C ARG A 36 9.058 4.231 -2.358 1.00 0.00 C ATOM 457 O ARG A 36 9.242 4.759 -3.454 1.00 0.00 O ATOM 458 CB ARG A 36 10.858 5.564 -1.245 1.00 0.00 C ATOM 459 CG ARG A 36 9.959 6.684 -0.747 1.00 0.00 C ATOM 460 CD ARG A 36 10.759 7.933 -0.412 1.00 0.00 C ATOM 461 NE ARG A 36 11.480 8.449 -1.573 1.00 0.00 N ATOM 462 CZ ARG A 36 11.904 9.704 -1.677 1.00 0.00 C ATOM 463 NH1 ARG A 36 11.681 10.566 -0.694 1.00 0.00 N ATOM 464 NH2 ARG A 36 12.553 10.098 -2.764 1.00 0.00 N ATOM 0 H ARG A 36 11.630 3.273 -2.482 1.00 0.00 H new ATOM 0 HA ARG A 36 9.713 3.988 -0.338 1.00 0.00 H new ATOM 0 HB2 ARG A 36 11.727 5.489 -0.592 1.00 0.00 H new ATOM 0 HB3 ARG A 36 11.227 5.820 -2.238 1.00 0.00 H new ATOM 0 HG2 ARG A 36 9.215 6.920 -1.508 1.00 0.00 H new ATOM 0 HG3 ARG A 36 9.416 6.350 0.137 1.00 0.00 H new ATOM 0 HD2 ARG A 36 10.087 8.702 -0.031 1.00 0.00 H new ATOM 0 HD3 ARG A 36 11.468 7.707 0.384 1.00 0.00 H new ATOM 0 HE ARG A 36 11.668 7.811 -2.346 1.00 0.00 H new ATOM 0 HH11 ARG A 36 11.183 10.266 0.144 1.00 0.00 H new ATOM 0 HH12 ARG A 36 12.007 11.529 -0.776 1.00 0.00 H new ATOM 0 HH21 ARG A 36 12.727 9.437 -3.521 1.00 0.00 H new ATOM 0 HH22 ARG A 36 12.878 11.062 -2.843 1.00 0.00 H new ATOM 478 N VAL A 37 7.908 3.658 -2.015 1.00 0.00 N ATOM 479 CA VAL A 37 6.772 3.617 -2.929 1.00 0.00 C ATOM 480 C VAL A 37 5.973 4.914 -2.870 1.00 0.00 C ATOM 481 O VAL A 37 5.157 5.113 -1.970 1.00 0.00 O ATOM 482 CB VAL A 37 5.837 2.436 -2.609 1.00 0.00 C ATOM 483 CG1 VAL A 37 4.830 2.233 -3.731 1.00 0.00 C ATOM 484 CG2 VAL A 37 6.643 1.169 -2.368 1.00 0.00 C ATOM 0 H VAL A 37 7.739 3.216 -1.111 1.00 0.00 H new ATOM 0 HA VAL A 37 7.177 3.488 -3.933 1.00 0.00 H new ATOM 0 HB VAL A 37 5.286 2.667 -1.697 1.00 0.00 H new ATOM 0 HG11 VAL A 37 4.178 1.394 -3.487 1.00 0.00 H new ATOM 0 HG12 VAL A 37 4.231 3.136 -3.850 1.00 0.00 H new ATOM 0 HG13 VAL A 37 5.359 2.023 -4.661 1.00 0.00 H new ATOM 0 HG21 VAL A 37 5.966 0.345 -2.143 1.00 0.00 H new ATOM 0 HG22 VAL A 37 7.222 0.931 -3.260 1.00 0.00 H new ATOM 0 HG23 VAL A 37 7.320 1.323 -1.527 1.00 0.00 H new ATOM 494 N SER A 38 6.214 5.795 -3.836 1.00 0.00 N ATOM 495 CA SER A 38 5.519 7.076 -3.893 1.00 0.00 C ATOM 496 C SER A 38 4.272 6.979 -4.765 1.00 0.00 C ATOM 497 O SER A 38 4.277 6.317 -5.803 1.00 0.00 O ATOM 498 CB SER A 38 6.451 8.162 -4.434 1.00 0.00 C ATOM 499 OG SER A 38 7.590 8.317 -3.605 1.00 0.00 O ATOM 0 H SER A 38 6.885 5.645 -4.590 1.00 0.00 H new ATOM 0 HA SER A 38 5.213 7.341 -2.881 1.00 0.00 H new ATOM 0 HB2 SER A 38 6.766 7.905 -5.445 1.00 0.00 H new ATOM 0 HB3 SER A 38 5.913 9.108 -4.499 1.00 0.00 H new ATOM 0 HG SER A 38 8.170 9.016 -3.974 1.00 0.00 H new ATOM 505 N TRP A 39 3.205 7.643 -4.336 1.00 0.00 N ATOM 506 CA TRP A 39 1.949 7.633 -5.078 1.00 0.00 C ATOM 507 C TRP A 39 1.205 8.952 -4.907 1.00 0.00 C ATOM 508 O TRP A 39 1.684 9.863 -4.232 1.00 0.00 O ATOM 509 CB TRP A 39 1.068 6.472 -4.612 1.00 0.00 C ATOM 510 CG TRP A 39 0.719 6.539 -3.156 1.00 0.00 C ATOM 511 CD1 TRP A 39 -0.225 7.337 -2.575 1.00 0.00 C ATOM 512 CD2 TRP A 39 1.311 5.779 -2.097 1.00 0.00 C ATOM 513 NE1 TRP A 39 -0.255 7.119 -1.218 1.00 0.00 N ATOM 514 CE2 TRP A 39 0.677 6.167 -0.900 1.00 0.00 C ATOM 515 CE3 TRP A 39 2.314 4.807 -2.043 1.00 0.00 C ATOM 516 CZ2 TRP A 39 1.015 5.617 0.333 1.00 0.00 C ATOM 517 CZ3 TRP A 39 2.649 4.262 -0.818 1.00 0.00 C ATOM 518 CH2 TRP A 39 2.001 4.668 0.357 1.00 0.00 C ATOM 0 H TRP A 39 3.184 8.195 -3.479 1.00 0.00 H new ATOM 0 HA TRP A 39 2.181 7.503 -6.135 1.00 0.00 H new ATOM 0 HB2 TRP A 39 0.149 6.464 -5.199 1.00 0.00 H new ATOM 0 HB3 TRP A 39 1.582 5.532 -4.812 1.00 0.00 H new ATOM 0 HD1 TRP A 39 -0.855 8.037 -3.104 1.00 0.00 H new ATOM 0 HE1 TRP A 39 -0.871 7.590 -0.555 1.00 0.00 H new ATOM 0 HE3 TRP A 39 2.818 4.487 -2.943 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 0.517 5.928 1.239 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 3.423 3.511 -0.765 1.00 0.00 H new ATOM 0 HH2 TRP A 39 2.285 4.223 1.299 1.00 0.00 H new ATOM 529 N ARG A 40 0.031 9.049 -5.523 1.00 0.00 N ATOM 530 CA ARG A 40 -0.778 10.259 -5.440 1.00 0.00 C ATOM 531 C ARG A 40 -2.111 9.975 -4.753 1.00 0.00 C ATOM 532 O ARG A 40 -3.003 9.339 -5.313 1.00 0.00 O ATOM 533 CB ARG A 40 -1.025 10.831 -6.837 1.00 0.00 C ATOM 534 CG ARG A 40 -2.183 11.812 -6.898 1.00 0.00 C ATOM 535 CD ARG A 40 -1.804 13.160 -6.304 1.00 0.00 C ATOM 536 NE ARG A 40 -2.979 13.958 -5.964 1.00 0.00 N ATOM 537 CZ ARG A 40 -2.968 14.934 -5.062 1.00 0.00 C ATOM 538 NH1 ARG A 40 -1.850 15.230 -4.415 1.00 0.00 N ATOM 539 NH2 ARG A 40 -4.078 15.615 -4.808 1.00 0.00 N ATOM 0 H ARG A 40 -0.381 8.304 -6.085 1.00 0.00 H new ATOM 0 HA ARG A 40 -0.231 10.991 -4.847 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -0.119 11.330 -7.181 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -1.219 10.010 -7.527 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -2.495 11.945 -7.934 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -3.037 11.403 -6.358 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -1.200 13.005 -5.410 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -1.186 13.709 -7.015 1.00 0.00 H new ATOM 0 HE ARG A 40 -3.855 13.755 -6.445 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -0.995 14.708 -4.609 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -1.844 15.980 -3.723 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -4.940 15.389 -5.305 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -4.070 16.364 -4.116 1.00 0.00 H new ATOM 553 N PRO A 41 -2.250 10.457 -3.509 1.00 0.00 N ATOM 554 CA PRO A 41 -3.470 10.268 -2.718 1.00 0.00 C ATOM 555 C PRO A 41 -4.646 11.070 -3.266 1.00 0.00 C ATOM 556 O PRO A 41 -4.562 12.282 -3.467 1.00 0.00 O ATOM 557 CB PRO A 41 -3.075 10.778 -1.330 1.00 0.00 C ATOM 558 CG PRO A 41 -1.972 11.747 -1.581 1.00 0.00 C ATOM 559 CD PRO A 41 -1.227 11.225 -2.779 1.00 0.00 C ATOM 0 HA PRO A 41 -3.805 9.231 -2.726 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -3.917 11.257 -0.830 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -2.746 9.961 -0.687 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -2.365 12.746 -1.771 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -1.314 11.823 -0.715 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -0.824 12.036 -3.386 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -0.386 10.597 -2.487 1.00 0.00 H new ATOM 567 N PRO A 42 -5.769 10.380 -3.513 1.00 0.00 N ATOM 568 CA PRO A 42 -6.984 11.009 -4.040 1.00 0.00 C ATOM 569 C PRO A 42 -7.653 11.923 -3.019 1.00 0.00 C ATOM 570 O PRO A 42 -7.754 11.584 -1.840 1.00 0.00 O ATOM 571 CB PRO A 42 -7.888 9.817 -4.364 1.00 0.00 C ATOM 572 CG PRO A 42 -7.421 8.730 -3.459 1.00 0.00 C ATOM 573 CD PRO A 42 -5.940 8.934 -3.297 1.00 0.00 C ATOM 0 HA PRO A 42 -6.773 11.648 -4.898 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -8.937 10.056 -4.187 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -7.799 9.526 -5.411 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -7.929 8.779 -2.496 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -7.636 7.749 -3.884 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -5.599 8.633 -2.307 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -5.372 8.350 -4.021 1.00 0.00 H new ATOM 581 N VAL A 43 -8.110 13.083 -3.480 1.00 0.00 N ATOM 582 CA VAL A 43 -8.771 14.045 -2.607 1.00 0.00 C ATOM 583 C VAL A 43 -9.698 13.345 -1.619 1.00 0.00 C ATOM 584 O VAL A 43 -10.362 12.366 -1.962 1.00 0.00 O ATOM 585 CB VAL A 43 -9.584 15.072 -3.417 1.00 0.00 C ATOM 586 CG1 VAL A 43 -10.301 16.040 -2.488 1.00 0.00 C ATOM 587 CG2 VAL A 43 -8.681 15.821 -4.386 1.00 0.00 C ATOM 0 H VAL A 43 -8.034 13.379 -4.453 1.00 0.00 H new ATOM 0 HA VAL A 43 -7.986 14.565 -2.058 1.00 0.00 H new ATOM 0 HB VAL A 43 -10.337 14.537 -3.996 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -10.870 16.758 -3.079 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -10.979 15.486 -1.839 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -9.568 16.571 -1.880 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -9.272 16.543 -4.950 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -7.904 16.345 -3.829 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -8.219 15.113 -5.074 1.00 0.00 H new ATOM 597 N LEU A 44 -9.739 13.853 -0.393 1.00 0.00 N ATOM 598 CA LEU A 44 -10.586 13.277 0.646 1.00 0.00 C ATOM 599 C LEU A 44 -11.641 14.278 1.106 1.00 0.00 C ATOM 600 O LEU A 44 -11.342 15.450 1.339 1.00 0.00 O ATOM 601 CB LEU A 44 -9.735 12.833 1.837 1.00 0.00 C ATOM 602 CG LEU A 44 -8.780 11.666 1.581 1.00 0.00 C ATOM 603 CD1 LEU A 44 -7.903 11.418 2.798 1.00 0.00 C ATOM 604 CD2 LEU A 44 -9.558 10.410 1.217 1.00 0.00 C ATOM 0 H LEU A 44 -9.196 14.663 -0.093 1.00 0.00 H new ATOM 0 HA LEU A 44 -11.094 12.409 0.226 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -9.150 13.687 2.179 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -10.403 12.557 2.653 1.00 0.00 H new ATOM 0 HG LEU A 44 -8.136 11.926 0.741 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -7.230 10.584 2.598 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -7.319 12.312 3.014 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -8.531 11.179 3.656 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -8.862 9.590 1.038 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -10.227 10.146 2.036 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -10.143 10.593 0.315 1.00 0.00 H new ATOM 616 N THR A 45 -12.878 13.809 1.237 1.00 0.00 N ATOM 617 CA THR A 45 -13.978 14.662 1.670 1.00 0.00 C ATOM 618 C THR A 45 -13.521 15.646 2.741 1.00 0.00 C ATOM 619 O THR A 45 -12.522 15.433 3.428 1.00 0.00 O ATOM 620 CB THR A 45 -15.151 13.830 2.219 1.00 0.00 C ATOM 621 OG1 THR A 45 -14.675 12.894 3.193 1.00 0.00 O ATOM 622 CG2 THR A 45 -15.860 13.086 1.097 1.00 0.00 C ATOM 0 H THR A 45 -13.143 12.842 1.049 1.00 0.00 H new ATOM 0 HA THR A 45 -14.314 15.215 0.793 1.00 0.00 H new ATOM 0 HB THR A 45 -15.862 14.511 2.687 1.00 0.00 H new ATOM 0 HG1 THR A 45 -14.319 12.102 2.739 1.00 0.00 H new ATOM 0 HG21 THR A 45 -16.685 12.505 1.510 1.00 0.00 H new ATOM 0 HG22 THR A 45 -16.247 13.803 0.373 1.00 0.00 H new ATOM 0 HG23 THR A 45 -15.156 12.416 0.603 1.00 0.00 H new ATOM 630 N PRO A 46 -14.269 16.749 2.890 1.00 0.00 N ATOM 631 CA PRO A 46 -13.961 17.787 3.877 1.00 0.00 C ATOM 632 C PRO A 46 -14.198 17.315 5.308 1.00 0.00 C ATOM 633 O PRO A 46 -14.204 18.115 6.244 1.00 0.00 O ATOM 634 CB PRO A 46 -14.931 18.916 3.520 1.00 0.00 C ATOM 635 CG PRO A 46 -16.069 18.237 2.840 1.00 0.00 C ATOM 636 CD PRO A 46 -15.474 17.067 2.105 1.00 0.00 C ATOM 0 HA PRO A 46 -12.912 18.081 3.844 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -15.263 19.449 4.411 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -14.460 19.650 2.866 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -16.814 17.905 3.563 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -16.573 18.915 2.151 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -16.163 16.223 2.067 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -15.227 17.323 1.075 1.00 0.00 H new ATOM 644 N THR A 47 -14.392 16.010 5.471 1.00 0.00 N ATOM 645 CA THR A 47 -14.630 15.432 6.787 1.00 0.00 C ATOM 646 C THR A 47 -13.660 14.291 7.070 1.00 0.00 C ATOM 647 O THR A 47 -13.506 13.862 8.213 1.00 0.00 O ATOM 648 CB THR A 47 -16.073 14.907 6.918 1.00 0.00 C ATOM 649 OG1 THR A 47 -16.358 13.988 5.858 1.00 0.00 O ATOM 650 CG2 THR A 47 -17.071 16.055 6.883 1.00 0.00 C ATOM 0 H THR A 47 -14.389 15.334 4.708 1.00 0.00 H new ATOM 0 HA THR A 47 -14.473 16.228 7.514 1.00 0.00 H new ATOM 0 HB THR A 47 -16.165 14.395 7.876 1.00 0.00 H new ATOM 0 HG1 THR A 47 -17.276 13.658 5.949 1.00 0.00 H new ATOM 0 HG21 THR A 47 -18.083 15.661 6.977 1.00 0.00 H new ATOM 0 HG22 THR A 47 -16.869 16.738 7.709 1.00 0.00 H new ATOM 0 HG23 THR A 47 -16.977 16.590 5.938 1.00 0.00 H new ATOM 658 N GLY A 48 -13.005 13.803 6.021 1.00 0.00 N ATOM 659 CA GLY A 48 -12.056 12.716 6.178 1.00 0.00 C ATOM 660 C GLY A 48 -12.634 11.377 5.765 1.00 0.00 C ATOM 661 O GLY A 48 -12.737 10.459 6.579 1.00 0.00 O ATOM 0 H GLY A 48 -13.115 14.141 5.065 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -11.168 12.924 5.581 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -11.736 12.665 7.219 1.00 0.00 H new ATOM 665 N LEU A 49 -13.015 11.265 4.497 1.00 0.00 N ATOM 666 CA LEU A 49 -13.589 10.029 3.977 1.00 0.00 C ATOM 667 C LEU A 49 -13.360 9.913 2.473 1.00 0.00 C ATOM 668 O LEU A 49 -13.613 10.854 1.722 1.00 0.00 O ATOM 669 CB LEU A 49 -15.086 9.970 4.282 1.00 0.00 C ATOM 670 CG LEU A 49 -15.475 10.078 5.757 1.00 0.00 C ATOM 671 CD1 LEU A 49 -16.968 10.335 5.898 1.00 0.00 C ATOM 672 CD2 LEU A 49 -15.077 8.816 6.508 1.00 0.00 C ATOM 0 H LEU A 49 -12.937 12.015 3.810 1.00 0.00 H new ATOM 0 HA LEU A 49 -13.092 9.192 4.468 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -15.580 10.775 3.737 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -15.479 9.032 3.891 1.00 0.00 H new ATOM 0 HG LEU A 49 -14.939 10.921 6.193 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -17.226 10.409 6.954 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -17.226 11.267 5.395 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -17.523 9.513 5.445 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -15.362 8.911 7.556 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -15.585 7.957 6.070 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -13.999 8.675 6.436 1.00 0.00 H new ATOM 684 N SER A 50 -12.881 8.750 2.041 1.00 0.00 N ATOM 685 CA SER A 50 -12.617 8.511 0.627 1.00 0.00 C ATOM 686 C SER A 50 -13.704 7.636 0.011 1.00 0.00 C ATOM 687 O SER A 50 -13.679 6.413 0.141 1.00 0.00 O ATOM 688 CB SER A 50 -11.250 7.848 0.447 1.00 0.00 C ATOM 689 OG SER A 50 -10.729 8.097 -0.847 1.00 0.00 O ATOM 0 H SER A 50 -12.668 7.960 2.650 1.00 0.00 H new ATOM 0 HA SER A 50 -12.617 9.473 0.115 1.00 0.00 H new ATOM 0 HB2 SER A 50 -10.558 8.225 1.200 1.00 0.00 H new ATOM 0 HB3 SER A 50 -11.340 6.773 0.606 1.00 0.00 H new ATOM 0 HG SER A 50 -9.854 7.664 -0.936 1.00 0.00 H new ATOM 695 N ASN A 51 -14.659 8.273 -0.659 1.00 0.00 N ATOM 696 CA ASN A 51 -15.756 7.554 -1.295 1.00 0.00 C ATOM 697 C ASN A 51 -16.720 6.999 -0.251 1.00 0.00 C ATOM 698 O ASN A 51 -17.423 6.019 -0.497 1.00 0.00 O ATOM 699 CB ASN A 51 -15.214 6.414 -2.161 1.00 0.00 C ATOM 700 CG ASN A 51 -16.243 5.897 -3.147 1.00 0.00 C ATOM 701 OD1 ASN A 51 -17.314 6.482 -3.307 1.00 0.00 O ATOM 702 ND2 ASN A 51 -15.921 4.794 -3.813 1.00 0.00 N ATOM 0 H ASN A 51 -14.695 9.286 -0.775 1.00 0.00 H new ATOM 0 HA ASN A 51 -16.298 8.256 -1.928 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -14.336 6.761 -2.705 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -14.888 5.596 -1.518 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -16.573 4.398 -4.490 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -15.021 4.343 -3.648 1.00 0.00 H new ATOM 709 N GLY A 52 -16.748 7.633 0.917 1.00 0.00 N ATOM 710 CA GLY A 52 -17.630 7.190 1.981 1.00 0.00 C ATOM 711 C GLY A 52 -16.922 6.307 2.990 1.00 0.00 C ATOM 712 O GLY A 52 -17.472 5.996 4.046 1.00 0.00 O ATOM 0 H GLY A 52 -16.176 8.446 1.146 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -18.044 8.060 2.491 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -18.469 6.644 1.550 1.00 0.00 H new ATOM 716 N ALA A 53 -15.700 5.900 2.663 1.00 0.00 N ATOM 717 CA ALA A 53 -14.916 5.048 3.549 1.00 0.00 C ATOM 718 C ALA A 53 -13.996 5.878 4.437 1.00 0.00 C ATOM 719 O ALA A 53 -13.624 6.997 4.087 1.00 0.00 O ATOM 720 CB ALA A 53 -14.107 4.046 2.738 1.00 0.00 C ATOM 0 H ALA A 53 -15.231 6.146 1.791 1.00 0.00 H new ATOM 0 HA ALA A 53 -15.606 4.504 4.194 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -13.526 3.416 3.412 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -14.782 3.423 2.151 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -13.432 4.580 2.069 1.00 0.00 H new ATOM 726 N ASN A 54 -13.633 5.322 5.589 1.00 0.00 N ATOM 727 CA ASN A 54 -12.757 6.012 6.528 1.00 0.00 C ATOM 728 C ASN A 54 -11.301 5.613 6.308 1.00 0.00 C ATOM 729 O ASN A 54 -10.790 4.702 6.959 1.00 0.00 O ATOM 730 CB ASN A 54 -13.171 5.700 7.967 1.00 0.00 C ATOM 731 CG ASN A 54 -12.220 6.299 8.986 1.00 0.00 C ATOM 732 OD1 ASN A 54 -11.569 5.578 9.742 1.00 0.00 O ATOM 733 ND2 ASN A 54 -12.135 7.624 9.008 1.00 0.00 N ATOM 0 H ASN A 54 -13.932 4.396 5.894 1.00 0.00 H new ATOM 0 HA ASN A 54 -12.852 7.084 6.354 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -14.176 6.082 8.144 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -13.212 4.619 8.104 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -11.511 8.084 9.671 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -12.694 8.182 8.362 1.00 0.00 H new ATOM 740 N VAL A 55 -10.637 6.302 5.385 1.00 0.00 N ATOM 741 CA VAL A 55 -9.239 6.022 5.080 1.00 0.00 C ATOM 742 C VAL A 55 -8.340 6.354 6.265 1.00 0.00 C ATOM 743 O VAL A 55 -8.208 7.515 6.653 1.00 0.00 O ATOM 744 CB VAL A 55 -8.763 6.817 3.850 1.00 0.00 C ATOM 745 CG1 VAL A 55 -7.323 6.464 3.510 1.00 0.00 C ATOM 746 CG2 VAL A 55 -9.678 6.559 2.662 1.00 0.00 C ATOM 0 H VAL A 55 -11.045 7.058 4.835 1.00 0.00 H new ATOM 0 HA VAL A 55 -9.170 4.956 4.864 1.00 0.00 H new ATOM 0 HB VAL A 55 -8.805 7.880 4.088 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -7.004 7.036 2.638 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -6.680 6.704 4.357 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -7.251 5.399 3.291 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -9.327 7.129 1.802 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -9.670 5.496 2.421 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -10.693 6.867 2.911 1.00 0.00 H new ATOM 756 N THR A 56 -7.721 5.326 6.838 1.00 0.00 N ATOM 757 CA THR A 56 -6.835 5.508 7.981 1.00 0.00 C ATOM 758 C THR A 56 -5.389 5.196 7.610 1.00 0.00 C ATOM 759 O THR A 56 -4.498 5.238 8.457 1.00 0.00 O ATOM 760 CB THR A 56 -7.253 4.616 9.164 1.00 0.00 C ATOM 761 OG1 THR A 56 -7.090 3.236 8.820 1.00 0.00 O ATOM 762 CG2 THR A 56 -8.700 4.879 9.555 1.00 0.00 C ATOM 0 H THR A 56 -7.817 4.359 6.529 1.00 0.00 H new ATOM 0 HA THR A 56 -6.914 6.554 8.279 1.00 0.00 H new ATOM 0 HB THR A 56 -6.614 4.855 10.014 1.00 0.00 H new ATOM 0 HG1 THR A 56 -7.357 2.676 9.579 1.00 0.00 H new ATOM 0 HG21 THR A 56 -8.973 4.237 10.393 1.00 0.00 H new ATOM 0 HG22 THR A 56 -8.814 5.923 9.845 1.00 0.00 H new ATOM 0 HG23 THR A 56 -9.351 4.665 8.707 1.00 0.00 H new ATOM 770 N GLY A 57 -5.164 4.882 6.337 1.00 0.00 N ATOM 771 CA GLY A 57 -3.824 4.568 5.877 1.00 0.00 C ATOM 772 C GLY A 57 -3.826 3.755 4.597 1.00 0.00 C ATOM 773 O GLY A 57 -4.887 3.417 4.070 1.00 0.00 O ATOM 0 H GLY A 57 -5.885 4.840 5.617 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -3.273 5.494 5.715 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -3.297 4.015 6.654 1.00 0.00 H new ATOM 777 N TYR A 58 -2.637 3.443 4.095 1.00 0.00 N ATOM 778 CA TYR A 58 -2.506 2.668 2.867 1.00 0.00 C ATOM 779 C TYR A 58 -1.789 1.348 3.129 1.00 0.00 C ATOM 780 O TYR A 58 -1.301 1.101 4.231 1.00 0.00 O ATOM 781 CB TYR A 58 -1.747 3.473 1.810 1.00 0.00 C ATOM 782 CG TYR A 58 -2.503 4.683 1.312 1.00 0.00 C ATOM 783 CD1 TYR A 58 -3.451 4.567 0.303 1.00 0.00 C ATOM 784 CD2 TYR A 58 -2.269 5.943 1.848 1.00 0.00 C ATOM 785 CE1 TYR A 58 -4.145 5.670 -0.157 1.00 0.00 C ATOM 786 CE2 TYR A 58 -2.959 7.052 1.396 1.00 0.00 C ATOM 787 CZ TYR A 58 -3.895 6.910 0.394 1.00 0.00 C ATOM 788 OH TYR A 58 -4.583 8.012 -0.061 1.00 0.00 O ATOM 0 H TYR A 58 -1.750 3.715 4.519 1.00 0.00 H new ATOM 0 HA TYR A 58 -3.508 2.449 2.497 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -0.794 3.797 2.228 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -1.520 2.824 0.965 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -3.649 3.597 -0.130 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -1.535 6.058 2.632 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -4.878 5.562 -0.943 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -2.766 8.024 1.825 1.00 0.00 H new ATOM 0 HH TYR A 58 -4.577 8.709 0.628 1.00 0.00 H new ATOM 798 N GLY A 59 -1.729 0.501 2.105 1.00 0.00 N ATOM 799 CA GLY A 59 -1.069 -0.785 2.244 1.00 0.00 C ATOM 800 C GLY A 59 -0.379 -1.223 0.967 1.00 0.00 C ATOM 801 O GLY A 59 -0.930 -1.083 -0.125 1.00 0.00 O ATOM 0 H GLY A 59 -2.125 0.682 1.183 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -0.336 -0.729 3.049 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -1.803 -1.537 2.533 1.00 0.00 H new ATOM 805 N VAL A 60 0.832 -1.753 1.103 1.00 0.00 N ATOM 806 CA VAL A 60 1.599 -2.213 -0.048 1.00 0.00 C ATOM 807 C VAL A 60 1.526 -3.729 -0.188 1.00 0.00 C ATOM 808 O VAL A 60 1.573 -4.457 0.804 1.00 0.00 O ATOM 809 CB VAL A 60 3.076 -1.788 0.055 1.00 0.00 C ATOM 810 CG1 VAL A 60 3.804 -2.063 -1.251 1.00 0.00 C ATOM 811 CG2 VAL A 60 3.182 -0.319 0.436 1.00 0.00 C ATOM 0 H VAL A 60 1.303 -1.874 1.999 1.00 0.00 H new ATOM 0 HA VAL A 60 1.156 -1.749 -0.929 1.00 0.00 H new ATOM 0 HB VAL A 60 3.552 -2.378 0.838 1.00 0.00 H new ATOM 0 HG11 VAL A 60 4.846 -1.756 -1.158 1.00 0.00 H new ATOM 0 HG12 VAL A 60 3.758 -3.129 -1.476 1.00 0.00 H new ATOM 0 HG13 VAL A 60 3.331 -1.502 -2.057 1.00 0.00 H new ATOM 0 HG21 VAL A 60 4.232 -0.036 0.504 1.00 0.00 H new ATOM 0 HG22 VAL A 60 2.691 0.290 -0.323 1.00 0.00 H new ATOM 0 HG23 VAL A 60 2.699 -0.157 1.400 1.00 0.00 H new ATOM 821 N TYR A 61 1.412 -4.199 -1.425 1.00 0.00 N ATOM 822 CA TYR A 61 1.330 -5.629 -1.695 1.00 0.00 C ATOM 823 C TYR A 61 2.259 -6.022 -2.840 1.00 0.00 C ATOM 824 O TYR A 61 2.406 -5.285 -3.815 1.00 0.00 O ATOM 825 CB TYR A 61 -0.108 -6.025 -2.032 1.00 0.00 C ATOM 826 CG TYR A 61 -1.050 -5.948 -0.851 1.00 0.00 C ATOM 827 CD1 TYR A 61 -1.631 -4.743 -0.478 1.00 0.00 C ATOM 828 CD2 TYR A 61 -1.359 -7.082 -0.110 1.00 0.00 C ATOM 829 CE1 TYR A 61 -2.491 -4.668 0.601 1.00 0.00 C ATOM 830 CE2 TYR A 61 -2.220 -7.017 0.969 1.00 0.00 C ATOM 831 CZ TYR A 61 -2.782 -5.808 1.321 1.00 0.00 C ATOM 832 OH TYR A 61 -3.640 -5.738 2.395 1.00 0.00 O ATOM 0 H TYR A 61 1.374 -3.610 -2.257 1.00 0.00 H new ATOM 0 HA TYR A 61 1.645 -6.160 -0.797 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -0.479 -5.375 -2.825 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -0.113 -7.042 -2.425 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -1.407 -3.849 -1.041 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -0.919 -8.030 -0.382 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -2.933 -3.722 0.879 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -2.451 -7.908 1.533 1.00 0.00 H new ATOM 0 HH TYR A 61 -3.886 -4.803 2.557 1.00 0.00 H new ATOM 842 N ALA A 62 2.884 -7.188 -2.713 1.00 0.00 N ATOM 843 CA ALA A 62 3.797 -7.680 -3.737 1.00 0.00 C ATOM 844 C ALA A 62 3.210 -8.888 -4.460 1.00 0.00 C ATOM 845 O ALA A 62 2.792 -8.791 -5.615 1.00 0.00 O ATOM 846 CB ALA A 62 5.141 -8.035 -3.120 1.00 0.00 C ATOM 0 H ALA A 62 2.775 -7.809 -1.911 1.00 0.00 H new ATOM 0 HA ALA A 62 3.944 -6.886 -4.469 1.00 0.00 H new ATOM 0 HB1 ALA A 62 5.813 -8.401 -3.897 1.00 0.00 H new ATOM 0 HB2 ALA A 62 5.573 -7.149 -2.655 1.00 0.00 H new ATOM 0 HB3 ALA A 62 5.002 -8.810 -2.366 1.00 0.00 H new ATOM 852 N LYS A 63 3.182 -10.026 -3.775 1.00 0.00 N ATOM 853 CA LYS A 63 2.646 -11.254 -4.351 1.00 0.00 C ATOM 854 C LYS A 63 1.466 -11.768 -3.533 1.00 0.00 C ATOM 855 O LYS A 63 1.387 -12.955 -3.217 1.00 0.00 O ATOM 856 CB LYS A 63 3.736 -12.325 -4.424 1.00 0.00 C ATOM 857 CG LYS A 63 4.777 -12.062 -5.498 1.00 0.00 C ATOM 858 CD LYS A 63 4.198 -12.239 -6.891 1.00 0.00 C ATOM 859 CE LYS A 63 4.190 -13.701 -7.310 1.00 0.00 C ATOM 860 NZ LYS A 63 3.326 -13.932 -8.501 1.00 0.00 N ATOM 0 H LYS A 63 3.525 -10.124 -2.819 1.00 0.00 H new ATOM 0 HA LYS A 63 2.297 -11.031 -5.359 1.00 0.00 H new ATOM 0 HB2 LYS A 63 4.233 -12.392 -3.456 1.00 0.00 H new ATOM 0 HB3 LYS A 63 3.271 -13.293 -4.610 1.00 0.00 H new ATOM 0 HG2 LYS A 63 5.164 -11.049 -5.390 1.00 0.00 H new ATOM 0 HG3 LYS A 63 5.619 -12.741 -5.364 1.00 0.00 H new ATOM 0 HD2 LYS A 63 3.181 -11.847 -6.916 1.00 0.00 H new ATOM 0 HD3 LYS A 63 4.782 -11.658 -7.605 1.00 0.00 H new ATOM 0 HE2 LYS A 63 5.208 -14.021 -7.532 1.00 0.00 H new ATOM 0 HE3 LYS A 63 3.837 -14.314 -6.481 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 3.347 -14.940 -8.755 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 2.349 -13.651 -8.281 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 3.677 -13.366 -9.300 1.00 0.00 H new ATOM 874 N GLY A 64 0.549 -10.868 -3.193 1.00 0.00 N ATOM 875 CA GLY A 64 -0.615 -11.251 -2.416 1.00 0.00 C ATOM 876 C GLY A 64 -0.324 -11.320 -0.930 1.00 0.00 C ATOM 877 O GLY A 64 -1.085 -11.917 -0.169 1.00 0.00 O ATOM 0 H GLY A 64 0.591 -9.880 -3.442 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -1.418 -10.535 -2.593 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -0.973 -12.222 -2.758 1.00 0.00 H new ATOM 881 N GLN A 65 0.782 -10.708 -0.517 1.00 0.00 N ATOM 882 CA GLN A 65 1.173 -10.705 0.888 1.00 0.00 C ATOM 883 C GLN A 65 1.601 -9.310 1.330 1.00 0.00 C ATOM 884 O GLN A 65 2.631 -8.798 0.891 1.00 0.00 O ATOM 885 CB GLN A 65 2.310 -11.700 1.125 1.00 0.00 C ATOM 886 CG GLN A 65 1.926 -13.143 0.837 1.00 0.00 C ATOM 887 CD GLN A 65 3.026 -14.122 1.197 1.00 0.00 C ATOM 888 OE1 GLN A 65 3.832 -13.867 2.092 1.00 0.00 O ATOM 889 NE2 GLN A 65 3.065 -15.251 0.500 1.00 0.00 N ATOM 0 H GLN A 65 1.422 -10.209 -1.135 1.00 0.00 H new ATOM 0 HA GLN A 65 0.309 -11.005 1.481 1.00 0.00 H new ATOM 0 HB2 GLN A 65 3.158 -11.426 0.497 1.00 0.00 H new ATOM 0 HB3 GLN A 65 2.641 -11.621 2.160 1.00 0.00 H new ATOM 0 HG2 GLN A 65 1.024 -13.394 1.396 1.00 0.00 H new ATOM 0 HG3 GLN A 65 1.684 -13.247 -0.221 1.00 0.00 H new ATOM 0 HE21 GLN A 65 2.377 -15.422 -0.233 1.00 0.00 H new ATOM 0 HE22 GLN A 65 3.783 -15.948 0.698 1.00 0.00 H new ATOM 898 N ARG A 66 0.805 -8.701 2.203 1.00 0.00 N ATOM 899 CA ARG A 66 1.101 -7.364 2.703 1.00 0.00 C ATOM 900 C ARG A 66 2.555 -7.263 3.155 1.00 0.00 C ATOM 901 O ARG A 66 2.989 -7.985 4.052 1.00 0.00 O ATOM 902 CB ARG A 66 0.169 -7.013 3.865 1.00 0.00 C ATOM 903 CG ARG A 66 0.121 -5.527 4.179 1.00 0.00 C ATOM 904 CD ARG A 66 -0.333 -5.275 5.609 1.00 0.00 C ATOM 905 NE ARG A 66 0.638 -5.762 6.585 1.00 0.00 N ATOM 906 CZ ARG A 66 0.326 -6.077 7.837 1.00 0.00 C ATOM 907 NH1 ARG A 66 -0.924 -5.957 8.263 1.00 0.00 N ATOM 908 NH2 ARG A 66 1.265 -6.514 8.666 1.00 0.00 N ATOM 0 H ARG A 66 -0.050 -9.112 2.578 1.00 0.00 H new ATOM 0 HA ARG A 66 0.940 -6.655 1.891 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -0.838 -7.359 3.630 1.00 0.00 H new ATOM 0 HB3 ARG A 66 0.492 -7.554 4.755 1.00 0.00 H new ATOM 0 HG2 ARG A 66 1.108 -5.090 4.027 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -0.559 -5.029 3.487 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -0.491 -4.207 5.756 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -1.292 -5.765 5.776 1.00 0.00 H new ATOM 0 HE ARG A 66 1.609 -5.866 6.289 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -1.649 -5.622 7.629 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -1.160 -6.200 9.225 1.00 0.00 H new ATOM 0 HH21 ARG A 66 2.228 -6.608 8.342 1.00 0.00 H new ATOM 0 HH22 ARG A 66 1.024 -6.756 9.627 1.00 0.00 H new ATOM 922 N VAL A 67 3.303 -6.361 2.527 1.00 0.00 N ATOM 923 CA VAL A 67 4.708 -6.164 2.864 1.00 0.00 C ATOM 924 C VAL A 67 4.895 -4.932 3.741 1.00 0.00 C ATOM 925 O VAL A 67 5.745 -4.915 4.632 1.00 0.00 O ATOM 926 CB VAL A 67 5.573 -6.016 1.598 1.00 0.00 C ATOM 927 CG1 VAL A 67 5.687 -7.347 0.870 1.00 0.00 C ATOM 928 CG2 VAL A 67 4.999 -4.946 0.683 1.00 0.00 C ATOM 0 H VAL A 67 2.959 -5.755 1.782 1.00 0.00 H new ATOM 0 HA VAL A 67 5.029 -7.049 3.413 1.00 0.00 H new ATOM 0 HB VAL A 67 6.574 -5.706 1.898 1.00 0.00 H new ATOM 0 HG11 VAL A 67 6.302 -7.223 -0.022 1.00 0.00 H new ATOM 0 HG12 VAL A 67 6.148 -8.084 1.528 1.00 0.00 H new ATOM 0 HG13 VAL A 67 4.694 -7.690 0.581 1.00 0.00 H new ATOM 0 HG21 VAL A 67 5.623 -4.855 -0.206 1.00 0.00 H new ATOM 0 HG22 VAL A 67 3.987 -5.223 0.389 1.00 0.00 H new ATOM 0 HG23 VAL A 67 4.976 -3.992 1.209 1.00 0.00 H new ATOM 938 N ALA A 68 4.095 -3.902 3.484 1.00 0.00 N ATOM 939 CA ALA A 68 4.171 -2.666 4.252 1.00 0.00 C ATOM 940 C ALA A 68 2.789 -2.048 4.436 1.00 0.00 C ATOM 941 O ALA A 68 1.836 -2.424 3.754 1.00 0.00 O ATOM 942 CB ALA A 68 5.107 -1.678 3.572 1.00 0.00 C ATOM 0 H ALA A 68 3.387 -3.900 2.750 1.00 0.00 H new ATOM 0 HA ALA A 68 4.568 -2.905 5.239 1.00 0.00 H new ATOM 0 HB1 ALA A 68 5.154 -0.759 4.157 1.00 0.00 H new ATOM 0 HB2 ALA A 68 6.104 -2.113 3.499 1.00 0.00 H new ATOM 0 HB3 ALA A 68 4.735 -1.453 2.573 1.00 0.00 H new ATOM 948 N GLU A 69 2.688 -1.099 5.361 1.00 0.00 N ATOM 949 CA GLU A 69 1.420 -0.431 5.634 1.00 0.00 C ATOM 950 C GLU A 69 1.648 0.893 6.358 1.00 0.00 C ATOM 951 O GLU A 69 2.306 0.940 7.397 1.00 0.00 O ATOM 952 CB GLU A 69 0.513 -1.334 6.473 1.00 0.00 C ATOM 953 CG GLU A 69 0.881 -1.367 7.947 1.00 0.00 C ATOM 954 CD GLU A 69 0.367 -2.608 8.649 1.00 0.00 C ATOM 955 OE1 GLU A 69 1.019 -3.667 8.536 1.00 0.00 O ATOM 956 OE2 GLU A 69 -0.688 -2.520 9.311 1.00 0.00 O ATOM 0 H GLU A 69 3.468 -0.775 5.934 1.00 0.00 H new ATOM 0 HA GLU A 69 0.934 -0.225 4.680 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -0.518 -0.994 6.372 1.00 0.00 H new ATOM 0 HB3 GLU A 69 0.555 -2.348 6.074 1.00 0.00 H new ATOM 0 HG2 GLU A 69 1.965 -1.320 8.048 1.00 0.00 H new ATOM 0 HG3 GLU A 69 0.476 -0.482 8.439 1.00 0.00 H new ATOM 963 N VAL A 70 1.099 1.967 5.800 1.00 0.00 N ATOM 964 CA VAL A 70 1.242 3.293 6.391 1.00 0.00 C ATOM 965 C VAL A 70 -0.093 3.803 6.924 1.00 0.00 C ATOM 966 O VAL A 70 -1.063 3.931 6.177 1.00 0.00 O ATOM 967 CB VAL A 70 1.796 4.305 5.372 1.00 0.00 C ATOM 968 CG1 VAL A 70 0.872 4.410 4.167 1.00 0.00 C ATOM 969 CG2 VAL A 70 1.990 5.666 6.025 1.00 0.00 C ATOM 0 H VAL A 70 0.551 1.945 4.940 1.00 0.00 H new ATOM 0 HA VAL A 70 1.947 3.198 7.216 1.00 0.00 H new ATOM 0 HB VAL A 70 2.767 3.951 5.026 1.00 0.00 H new ATOM 0 HG11 VAL A 70 1.280 5.130 3.457 1.00 0.00 H new ATOM 0 HG12 VAL A 70 0.788 3.435 3.687 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -0.114 4.740 4.493 1.00 0.00 H new ATOM 0 HG21 VAL A 70 2.382 6.369 5.290 1.00 0.00 H new ATOM 0 HG22 VAL A 70 1.033 6.029 6.400 1.00 0.00 H new ATOM 0 HG23 VAL A 70 2.694 5.576 6.853 1.00 0.00 H new ATOM 979 N ILE A 71 -0.134 4.092 8.220 1.00 0.00 N ATOM 980 CA ILE A 71 -1.349 4.589 8.853 1.00 0.00 C ATOM 981 C ILE A 71 -1.555 6.071 8.559 1.00 0.00 C ATOM 982 O ILE A 71 -1.886 6.852 9.452 1.00 0.00 O ATOM 983 CB ILE A 71 -1.316 4.380 10.378 1.00 0.00 C ATOM 984 CG1 ILE A 71 -0.866 2.955 10.710 1.00 0.00 C ATOM 985 CG2 ILE A 71 -2.684 4.662 10.982 1.00 0.00 C ATOM 986 CD1 ILE A 71 -1.754 1.886 10.111 1.00 0.00 C ATOM 0 H ILE A 71 0.660 3.991 8.852 1.00 0.00 H new ATOM 0 HA ILE A 71 -2.178 4.019 8.434 1.00 0.00 H new ATOM 0 HB ILE A 71 -0.599 5.078 10.809 1.00 0.00 H new ATOM 0 HG12 ILE A 71 0.153 2.812 10.352 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -0.844 2.833 11.793 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -2.644 4.510 12.061 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -2.969 5.693 10.771 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -3.420 3.986 10.547 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -1.376 0.902 10.387 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -2.770 2.003 10.489 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -1.757 1.982 9.025 1.00 0.00 H new ATOM 998 N PHE A 72 -1.358 6.453 7.302 1.00 0.00 N ATOM 999 CA PHE A 72 -1.522 7.841 6.889 1.00 0.00 C ATOM 1000 C PHE A 72 -2.350 7.935 5.611 1.00 0.00 C ATOM 1001 O PHE A 72 -1.949 7.467 4.545 1.00 0.00 O ATOM 1002 CB PHE A 72 -0.156 8.497 6.674 1.00 0.00 C ATOM 1003 CG PHE A 72 -0.192 9.996 6.749 1.00 0.00 C ATOM 1004 CD1 PHE A 72 -0.871 10.636 7.774 1.00 0.00 C ATOM 1005 CD2 PHE A 72 0.453 10.767 5.795 1.00 0.00 C ATOM 1006 CE1 PHE A 72 -0.906 12.015 7.845 1.00 0.00 C ATOM 1007 CE2 PHE A 72 0.421 12.147 5.861 1.00 0.00 C ATOM 1008 CZ PHE A 72 -0.258 12.772 6.888 1.00 0.00 C ATOM 0 H PHE A 72 -1.084 5.820 6.551 1.00 0.00 H new ATOM 0 HA PHE A 72 -2.050 8.369 7.683 1.00 0.00 H new ATOM 0 HB2 PHE A 72 0.541 8.120 7.423 1.00 0.00 H new ATOM 0 HB3 PHE A 72 0.232 8.199 5.700 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -1.379 10.050 8.526 1.00 0.00 H new ATOM 0 HD2 PHE A 72 0.987 10.284 4.990 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -1.440 12.501 8.648 1.00 0.00 H new ATOM 0 HE2 PHE A 72 0.927 12.736 5.110 1.00 0.00 H new ATOM 0 HZ PHE A 72 -0.283 13.850 6.943 1.00 0.00 H new ATOM 1018 N PRO A 73 -3.536 8.553 5.719 1.00 0.00 N ATOM 1019 CA PRO A 73 -4.446 8.723 4.582 1.00 0.00 C ATOM 1020 C PRO A 73 -3.912 9.714 3.555 1.00 0.00 C ATOM 1021 O PRO A 73 -4.255 9.646 2.374 1.00 0.00 O ATOM 1022 CB PRO A 73 -5.725 9.260 5.230 1.00 0.00 C ATOM 1023 CG PRO A 73 -5.266 9.924 6.481 1.00 0.00 C ATOM 1024 CD PRO A 73 -4.079 9.134 6.958 1.00 0.00 C ATOM 0 HA PRO A 73 -4.589 7.793 4.031 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -6.236 9.964 4.573 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -6.428 8.455 5.444 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -4.994 10.963 6.294 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -6.057 9.932 7.231 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -3.348 9.769 7.458 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -4.370 8.362 7.670 1.00 0.00 H new ATOM 1032 N THR A 74 -3.071 10.637 4.011 1.00 0.00 N ATOM 1033 CA THR A 74 -2.490 11.643 3.131 1.00 0.00 C ATOM 1034 C THR A 74 -1.036 11.319 2.809 1.00 0.00 C ATOM 1035 O THR A 74 -0.253 12.205 2.468 1.00 0.00 O ATOM 1036 CB THR A 74 -2.563 13.048 3.759 1.00 0.00 C ATOM 1037 OG1 THR A 74 -2.148 12.995 5.129 1.00 0.00 O ATOM 1038 CG2 THR A 74 -3.976 13.606 3.674 1.00 0.00 C ATOM 0 H THR A 74 -2.777 10.708 4.985 1.00 0.00 H new ATOM 0 HA THR A 74 -3.074 11.633 2.211 1.00 0.00 H new ATOM 0 HB THR A 74 -1.895 13.705 3.202 1.00 0.00 H new ATOM 0 HG1 THR A 74 -1.240 13.354 5.210 1.00 0.00 H new ATOM 0 HG21 THR A 74 -4.003 14.599 4.124 1.00 0.00 H new ATOM 0 HG22 THR A 74 -4.279 13.673 2.629 1.00 0.00 H new ATOM 0 HG23 THR A 74 -4.660 12.947 4.208 1.00 0.00 H new ATOM 1046 N ALA A 75 -0.681 10.043 2.918 1.00 0.00 N ATOM 1047 CA ALA A 75 0.679 9.601 2.636 1.00 0.00 C ATOM 1048 C ALA A 75 0.914 9.472 1.134 1.00 0.00 C ATOM 1049 O ALA A 75 0.077 8.934 0.409 1.00 0.00 O ATOM 1050 CB ALA A 75 0.959 8.277 3.331 1.00 0.00 C ATOM 0 H ALA A 75 -1.317 9.297 3.200 1.00 0.00 H new ATOM 0 HA ALA A 75 1.366 10.354 3.022 1.00 0.00 H new ATOM 0 HB1 ALA A 75 1.978 7.959 3.111 1.00 0.00 H new ATOM 0 HB2 ALA A 75 0.841 8.399 4.408 1.00 0.00 H new ATOM 0 HB3 ALA A 75 0.259 7.523 2.973 1.00 0.00 H new ATOM 1056 N ASP A 76 2.056 9.971 0.674 1.00 0.00 N ATOM 1057 CA ASP A 76 2.401 9.911 -0.741 1.00 0.00 C ATOM 1058 C ASP A 76 3.687 9.119 -0.955 1.00 0.00 C ATOM 1059 O ASP A 76 4.251 9.115 -2.049 1.00 0.00 O ATOM 1060 CB ASP A 76 2.556 11.323 -1.310 1.00 0.00 C ATOM 1061 CG ASP A 76 3.929 11.907 -1.042 1.00 0.00 C ATOM 1062 OD1 ASP A 76 4.494 11.623 0.034 1.00 0.00 O ATOM 1063 OD2 ASP A 76 4.437 12.650 -1.908 1.00 0.00 O ATOM 0 H ASP A 76 2.758 10.422 1.261 1.00 0.00 H new ATOM 0 HA ASP A 76 1.592 9.403 -1.265 1.00 0.00 H new ATOM 0 HB2 ASP A 76 2.378 11.300 -2.385 1.00 0.00 H new ATOM 0 HB3 ASP A 76 1.797 11.973 -0.875 1.00 0.00 H new ATOM 1068 N SER A 77 4.146 8.451 0.099 1.00 0.00 N ATOM 1069 CA SER A 77 5.369 7.659 0.028 1.00 0.00 C ATOM 1070 C SER A 77 5.570 6.855 1.309 1.00 0.00 C ATOM 1071 O SER A 77 5.482 7.392 2.414 1.00 0.00 O ATOM 1072 CB SER A 77 6.576 8.567 -0.212 1.00 0.00 C ATOM 1073 OG SER A 77 6.743 9.486 0.853 1.00 0.00 O ATOM 0 H SER A 77 3.690 8.442 1.011 1.00 0.00 H new ATOM 0 HA SER A 77 5.275 6.964 -0.806 1.00 0.00 H new ATOM 0 HB2 SER A 77 7.476 7.961 -0.318 1.00 0.00 H new ATOM 0 HB3 SER A 77 6.446 9.110 -1.148 1.00 0.00 H new ATOM 0 HG SER A 77 6.110 10.226 0.749 1.00 0.00 H new ATOM 1079 N THR A 78 5.840 5.563 1.153 1.00 0.00 N ATOM 1080 CA THR A 78 6.053 4.683 2.295 1.00 0.00 C ATOM 1081 C THR A 78 7.227 3.741 2.052 1.00 0.00 C ATOM 1082 O THR A 78 7.582 3.458 0.908 1.00 0.00 O ATOM 1083 CB THR A 78 4.795 3.849 2.603 1.00 0.00 C ATOM 1084 OG1 THR A 78 4.815 3.419 3.969 1.00 0.00 O ATOM 1085 CG2 THR A 78 4.711 2.638 1.686 1.00 0.00 C ATOM 0 H THR A 78 5.916 5.103 0.246 1.00 0.00 H new ATOM 0 HA THR A 78 6.275 5.322 3.150 1.00 0.00 H new ATOM 0 HB THR A 78 3.919 4.475 2.432 1.00 0.00 H new ATOM 0 HG1 THR A 78 4.225 2.644 4.077 1.00 0.00 H new ATOM 0 HG21 THR A 78 3.815 2.064 1.922 1.00 0.00 H new ATOM 0 HG22 THR A 78 4.667 2.970 0.649 1.00 0.00 H new ATOM 0 HG23 THR A 78 5.591 2.011 1.829 1.00 0.00 H new ATOM 1093 N ALA A 79 7.825 3.258 3.136 1.00 0.00 N ATOM 1094 CA ALA A 79 8.958 2.345 3.040 1.00 0.00 C ATOM 1095 C ALA A 79 8.490 0.895 2.976 1.00 0.00 C ATOM 1096 O ALA A 79 7.487 0.528 3.589 1.00 0.00 O ATOM 1097 CB ALA A 79 9.899 2.547 4.219 1.00 0.00 C ATOM 0 H ALA A 79 7.544 3.483 4.090 1.00 0.00 H new ATOM 0 HA ALA A 79 9.496 2.567 2.118 1.00 0.00 H new ATOM 0 HB1 ALA A 79 10.740 1.859 4.135 1.00 0.00 H new ATOM 0 HB2 ALA A 79 10.267 3.573 4.219 1.00 0.00 H new ATOM 0 HB3 ALA A 79 9.364 2.354 5.149 1.00 0.00 H new ATOM 1103 N VAL A 80 9.223 0.074 2.230 1.00 0.00 N ATOM 1104 CA VAL A 80 8.883 -1.336 2.086 1.00 0.00 C ATOM 1105 C VAL A 80 10.138 -2.201 2.030 1.00 0.00 C ATOM 1106 O VAL A 80 11.127 -1.835 1.396 1.00 0.00 O ATOM 1107 CB VAL A 80 8.045 -1.585 0.819 1.00 0.00 C ATOM 1108 CG1 VAL A 80 7.743 -3.068 0.660 1.00 0.00 C ATOM 1109 CG2 VAL A 80 6.759 -0.773 0.863 1.00 0.00 C ATOM 0 H VAL A 80 10.056 0.362 1.716 1.00 0.00 H new ATOM 0 HA VAL A 80 8.294 -1.610 2.961 1.00 0.00 H new ATOM 0 HB VAL A 80 8.623 -1.262 -0.047 1.00 0.00 H new ATOM 0 HG11 VAL A 80 7.150 -3.224 -0.241 1.00 0.00 H new ATOM 0 HG12 VAL A 80 8.678 -3.623 0.580 1.00 0.00 H new ATOM 0 HG13 VAL A 80 7.185 -3.421 1.527 1.00 0.00 H new ATOM 0 HG21 VAL A 80 6.179 -0.961 -0.040 1.00 0.00 H new ATOM 0 HG22 VAL A 80 6.175 -1.063 1.736 1.00 0.00 H new ATOM 0 HG23 VAL A 80 7.001 0.288 0.925 1.00 0.00 H new ATOM 1119 N GLU A 81 10.089 -3.349 2.698 1.00 0.00 N ATOM 1120 CA GLU A 81 11.223 -4.266 2.724 1.00 0.00 C ATOM 1121 C GLU A 81 11.370 -4.987 1.388 1.00 0.00 C ATOM 1122 O GLU A 81 10.415 -5.575 0.878 1.00 0.00 O ATOM 1123 CB GLU A 81 11.056 -5.286 3.852 1.00 0.00 C ATOM 1124 CG GLU A 81 11.612 -4.816 5.185 1.00 0.00 C ATOM 1125 CD GLU A 81 10.889 -5.430 6.368 1.00 0.00 C ATOM 1126 OE1 GLU A 81 9.839 -4.884 6.768 1.00 0.00 O ATOM 1127 OE2 GLU A 81 11.371 -6.454 6.893 1.00 0.00 O ATOM 0 H GLU A 81 9.277 -3.666 3.228 1.00 0.00 H new ATOM 0 HA GLU A 81 12.126 -3.682 2.903 1.00 0.00 H new ATOM 0 HB2 GLU A 81 9.997 -5.514 3.970 1.00 0.00 H new ATOM 0 HB3 GLU A 81 11.552 -6.214 3.568 1.00 0.00 H new ATOM 0 HG2 GLU A 81 12.671 -5.067 5.241 1.00 0.00 H new ATOM 0 HG3 GLU A 81 11.538 -3.730 5.243 1.00 0.00 H new ATOM 1134 N LEU A 82 12.572 -4.938 0.825 1.00 0.00 N ATOM 1135 CA LEU A 82 12.845 -5.587 -0.453 1.00 0.00 C ATOM 1136 C LEU A 82 12.945 -7.100 -0.286 1.00 0.00 C ATOM 1137 O LEU A 82 12.597 -7.859 -1.191 1.00 0.00 O ATOM 1138 CB LEU A 82 14.141 -5.043 -1.057 1.00 0.00 C ATOM 1139 CG LEU A 82 14.072 -3.627 -1.631 1.00 0.00 C ATOM 1140 CD1 LEU A 82 15.419 -3.218 -2.207 1.00 0.00 C ATOM 1141 CD2 LEU A 82 12.986 -3.536 -2.694 1.00 0.00 C ATOM 0 H LEU A 82 13.373 -4.456 1.233 1.00 0.00 H new ATOM 0 HA LEU A 82 12.017 -5.368 -1.127 1.00 0.00 H new ATOM 0 HB2 LEU A 82 14.914 -5.065 -0.288 1.00 0.00 H new ATOM 0 HB3 LEU A 82 14.461 -5.720 -1.850 1.00 0.00 H new ATOM 0 HG LEU A 82 13.822 -2.939 -0.823 1.00 0.00 H new ATOM 0 HD11 LEU A 82 15.350 -2.208 -2.611 1.00 0.00 H new ATOM 0 HD12 LEU A 82 16.174 -3.244 -1.421 1.00 0.00 H new ATOM 0 HD13 LEU A 82 15.699 -3.908 -3.003 1.00 0.00 H new ATOM 0 HD21 LEU A 82 12.950 -2.522 -3.092 1.00 0.00 H new ATOM 0 HD22 LEU A 82 13.207 -4.235 -3.501 1.00 0.00 H new ATOM 0 HD23 LEU A 82 12.022 -3.786 -2.251 1.00 0.00 H new ATOM 1153 N VAL A 83 13.420 -7.531 0.878 1.00 0.00 N ATOM 1154 CA VAL A 83 13.562 -8.954 1.166 1.00 0.00 C ATOM 1155 C VAL A 83 12.236 -9.685 0.991 1.00 0.00 C ATOM 1156 O VAL A 83 12.196 -10.810 0.493 1.00 0.00 O ATOM 1157 CB VAL A 83 14.080 -9.188 2.597 1.00 0.00 C ATOM 1158 CG1 VAL A 83 12.963 -8.988 3.609 1.00 0.00 C ATOM 1159 CG2 VAL A 83 14.683 -10.578 2.724 1.00 0.00 C ATOM 0 H VAL A 83 13.713 -6.916 1.637 1.00 0.00 H new ATOM 0 HA VAL A 83 14.288 -9.350 0.456 1.00 0.00 H new ATOM 0 HB VAL A 83 14.861 -8.457 2.806 1.00 0.00 H new ATOM 0 HG11 VAL A 83 13.348 -9.158 4.614 1.00 0.00 H new ATOM 0 HG12 VAL A 83 12.582 -7.970 3.534 1.00 0.00 H new ATOM 0 HG13 VAL A 83 12.157 -9.693 3.405 1.00 0.00 H new ATOM 0 HG21 VAL A 83 15.044 -10.726 3.742 1.00 0.00 H new ATOM 0 HG22 VAL A 83 13.924 -11.326 2.496 1.00 0.00 H new ATOM 0 HG23 VAL A 83 15.514 -10.679 2.026 1.00 0.00 H new ATOM 1169 N ARG A 84 11.151 -9.038 1.404 1.00 0.00 N ATOM 1170 CA ARG A 84 9.822 -9.627 1.294 1.00 0.00 C ATOM 1171 C ARG A 84 9.481 -9.931 -0.162 1.00 0.00 C ATOM 1172 O ARG A 84 8.722 -10.857 -0.452 1.00 0.00 O ATOM 1173 CB ARG A 84 8.773 -8.685 1.888 1.00 0.00 C ATOM 1174 CG ARG A 84 8.901 -8.501 3.392 1.00 0.00 C ATOM 1175 CD ARG A 84 7.851 -7.541 3.927 1.00 0.00 C ATOM 1176 NE ARG A 84 7.681 -7.665 5.372 1.00 0.00 N ATOM 1177 CZ ARG A 84 7.179 -8.744 5.963 1.00 0.00 C ATOM 1178 NH1 ARG A 84 6.801 -9.786 5.236 1.00 0.00 N ATOM 1179 NH2 ARG A 84 7.056 -8.782 7.284 1.00 0.00 N ATOM 0 H ARG A 84 11.166 -8.106 1.818 1.00 0.00 H new ATOM 0 HA ARG A 84 9.819 -10.563 1.853 1.00 0.00 H new ATOM 0 HB2 ARG A 84 8.855 -7.712 1.403 1.00 0.00 H new ATOM 0 HB3 ARG A 84 7.780 -9.072 1.661 1.00 0.00 H new ATOM 0 HG2 ARG A 84 8.799 -9.466 3.888 1.00 0.00 H new ATOM 0 HG3 ARG A 84 9.896 -8.124 3.630 1.00 0.00 H new ATOM 0 HD2 ARG A 84 8.137 -6.518 3.682 1.00 0.00 H new ATOM 0 HD3 ARG A 84 6.899 -7.733 3.432 1.00 0.00 H new ATOM 0 HE ARG A 84 7.963 -6.881 5.960 1.00 0.00 H new ATOM 0 HH11 ARG A 84 6.895 -9.761 4.221 1.00 0.00 H new ATOM 0 HH12 ARG A 84 6.416 -10.613 5.692 1.00 0.00 H new ATOM 0 HH21 ARG A 84 7.347 -7.982 7.846 1.00 0.00 H new ATOM 0 HH22 ARG A 84 6.670 -9.611 7.737 1.00 0.00 H new ATOM 1193 N LEU A 85 10.046 -9.147 -1.073 1.00 0.00 N ATOM 1194 CA LEU A 85 9.802 -9.332 -2.499 1.00 0.00 C ATOM 1195 C LEU A 85 10.653 -10.469 -3.054 1.00 0.00 C ATOM 1196 O LEU A 85 10.334 -11.047 -4.093 1.00 0.00 O ATOM 1197 CB LEU A 85 10.099 -8.038 -3.259 1.00 0.00 C ATOM 1198 CG LEU A 85 9.570 -6.751 -2.626 1.00 0.00 C ATOM 1199 CD1 LEU A 85 10.294 -5.540 -3.195 1.00 0.00 C ATOM 1200 CD2 LEU A 85 8.069 -6.628 -2.843 1.00 0.00 C ATOM 0 H LEU A 85 10.676 -8.377 -0.850 1.00 0.00 H new ATOM 0 HA LEU A 85 8.752 -9.591 -2.633 1.00 0.00 H new ATOM 0 HB2 LEU A 85 11.179 -7.946 -3.372 1.00 0.00 H new ATOM 0 HB3 LEU A 85 9.680 -8.125 -4.262 1.00 0.00 H new ATOM 0 HG LEU A 85 9.760 -6.791 -1.553 1.00 0.00 H new ATOM 0 HD11 LEU A 85 9.904 -4.633 -2.733 1.00 0.00 H new ATOM 0 HD12 LEU A 85 11.361 -5.623 -2.988 1.00 0.00 H new ATOM 0 HD13 LEU A 85 10.136 -5.495 -4.273 1.00 0.00 H new ATOM 0 HD21 LEU A 85 7.710 -5.706 -2.386 1.00 0.00 H new ATOM 0 HD22 LEU A 85 7.856 -6.610 -3.912 1.00 0.00 H new ATOM 0 HD23 LEU A 85 7.564 -7.480 -2.387 1.00 0.00 H new ATOM 1212 N ARG A 86 11.738 -10.785 -2.354 1.00 0.00 N ATOM 1213 CA ARG A 86 12.635 -11.854 -2.776 1.00 0.00 C ATOM 1214 C ARG A 86 11.982 -13.220 -2.585 1.00 0.00 C ATOM 1215 O ARG A 86 11.877 -14.005 -3.527 1.00 0.00 O ATOM 1216 CB ARG A 86 13.945 -11.789 -1.989 1.00 0.00 C ATOM 1217 CG ARG A 86 14.573 -10.405 -1.963 1.00 0.00 C ATOM 1218 CD ARG A 86 14.900 -9.915 -3.365 1.00 0.00 C ATOM 1219 NE ARG A 86 16.030 -10.634 -3.946 1.00 0.00 N ATOM 1220 CZ ARG A 86 16.262 -10.708 -5.252 1.00 0.00 C ATOM 1221 NH1 ARG A 86 15.445 -10.110 -6.108 1.00 0.00 N ATOM 1222 NH2 ARG A 86 17.312 -11.381 -5.704 1.00 0.00 N ATOM 0 H ARG A 86 12.017 -10.316 -1.492 1.00 0.00 H new ATOM 0 HA ARG A 86 12.848 -11.718 -3.836 1.00 0.00 H new ATOM 0 HB2 ARG A 86 13.760 -12.114 -0.965 1.00 0.00 H new ATOM 0 HB3 ARG A 86 14.655 -12.493 -2.423 1.00 0.00 H new ATOM 0 HG2 ARG A 86 13.891 -9.704 -1.481 1.00 0.00 H new ATOM 0 HG3 ARG A 86 15.483 -10.428 -1.363 1.00 0.00 H new ATOM 0 HD2 ARG A 86 14.026 -10.036 -4.005 1.00 0.00 H new ATOM 0 HD3 ARG A 86 15.126 -8.849 -3.333 1.00 0.00 H new ATOM 0 HE ARG A 86 16.677 -11.106 -3.314 1.00 0.00 H new ATOM 0 HH11 ARG A 86 14.636 -9.592 -5.764 1.00 0.00 H new ATOM 0 HH12 ARG A 86 15.625 -10.168 -7.110 1.00 0.00 H new ATOM 0 HH21 ARG A 86 17.943 -11.843 -5.049 1.00 0.00 H new ATOM 0 HH22 ARG A 86 17.489 -11.437 -6.707 1.00 0.00 H new ATOM 1236 N SER A 87 11.545 -13.495 -1.361 1.00 0.00 N ATOM 1237 CA SER A 87 10.906 -14.767 -1.045 1.00 0.00 C ATOM 1238 C SER A 87 9.772 -15.063 -2.023 1.00 0.00 C ATOM 1239 O SER A 87 9.584 -16.204 -2.447 1.00 0.00 O ATOM 1240 CB SER A 87 10.368 -14.751 0.387 1.00 0.00 C ATOM 1241 OG SER A 87 10.377 -16.051 0.950 1.00 0.00 O ATOM 0 H SER A 87 11.622 -12.854 -0.571 1.00 0.00 H new ATOM 0 HA SER A 87 11.655 -15.553 -1.135 1.00 0.00 H new ATOM 0 HB2 SER A 87 10.974 -14.082 0.999 1.00 0.00 H new ATOM 0 HB3 SER A 87 9.352 -14.356 0.393 1.00 0.00 H new ATOM 0 HG SER A 87 10.030 -16.013 1.866 1.00 0.00 H new ATOM 1247 N LEU A 88 9.020 -14.027 -2.377 1.00 0.00 N ATOM 1248 CA LEU A 88 7.904 -14.173 -3.305 1.00 0.00 C ATOM 1249 C LEU A 88 8.358 -13.945 -4.743 1.00 0.00 C ATOM 1250 O LEU A 88 7.670 -14.328 -5.689 1.00 0.00 O ATOM 1251 CB LEU A 88 6.786 -13.192 -2.948 1.00 0.00 C ATOM 1252 CG LEU A 88 6.357 -13.167 -1.481 1.00 0.00 C ATOM 1253 CD1 LEU A 88 5.863 -11.782 -1.092 1.00 0.00 C ATOM 1254 CD2 LEU A 88 5.280 -14.211 -1.223 1.00 0.00 C ATOM 0 H LEU A 88 9.163 -13.077 -2.036 1.00 0.00 H new ATOM 0 HA LEU A 88 7.525 -15.191 -3.221 1.00 0.00 H new ATOM 0 HB2 LEU A 88 7.107 -12.189 -3.229 1.00 0.00 H new ATOM 0 HB3 LEU A 88 5.914 -13.430 -3.557 1.00 0.00 H new ATOM 0 HG LEU A 88 7.224 -13.407 -0.865 1.00 0.00 H new ATOM 0 HD11 LEU A 88 5.562 -11.784 -0.044 1.00 0.00 H new ATOM 0 HD12 LEU A 88 6.663 -11.056 -1.238 1.00 0.00 H new ATOM 0 HD13 LEU A 88 5.010 -11.512 -1.714 1.00 0.00 H new ATOM 0 HD21 LEU A 88 4.986 -14.179 -0.174 1.00 0.00 H new ATOM 0 HD22 LEU A 88 4.413 -14.001 -1.849 1.00 0.00 H new ATOM 0 HD23 LEU A 88 5.669 -15.201 -1.461 1.00 0.00 H new ATOM 1266 N GLU A 89 9.520 -13.319 -4.899 1.00 0.00 N ATOM 1267 CA GLU A 89 10.066 -13.041 -6.222 1.00 0.00 C ATOM 1268 C GLU A 89 9.171 -12.069 -6.986 1.00 0.00 C ATOM 1269 O GLU A 89 9.013 -12.180 -8.202 1.00 0.00 O ATOM 1270 CB GLU A 89 10.223 -14.339 -7.016 1.00 0.00 C ATOM 1271 CG GLU A 89 11.036 -15.400 -6.294 1.00 0.00 C ATOM 1272 CD GLU A 89 10.730 -16.803 -6.782 1.00 0.00 C ATOM 1273 OE1 GLU A 89 9.535 -17.152 -6.874 1.00 0.00 O ATOM 1274 OE2 GLU A 89 11.687 -17.551 -7.074 1.00 0.00 O ATOM 0 H GLU A 89 10.101 -12.995 -4.126 1.00 0.00 H new ATOM 0 HA GLU A 89 11.046 -12.582 -6.094 1.00 0.00 H new ATOM 0 HB2 GLU A 89 9.234 -14.740 -7.239 1.00 0.00 H new ATOM 0 HB3 GLU A 89 10.699 -14.116 -7.971 1.00 0.00 H new ATOM 0 HG2 GLU A 89 12.098 -15.195 -6.432 1.00 0.00 H new ATOM 0 HG3 GLU A 89 10.836 -15.340 -5.224 1.00 0.00 H new ATOM 1281 N ALA A 90 8.589 -11.118 -6.264 1.00 0.00 N ATOM 1282 CA ALA A 90 7.711 -10.126 -6.873 1.00 0.00 C ATOM 1283 C ALA A 90 8.512 -9.099 -7.667 1.00 0.00 C ATOM 1284 O ALA A 90 9.525 -8.585 -7.193 1.00 0.00 O ATOM 1285 CB ALA A 90 6.875 -9.435 -5.806 1.00 0.00 C ATOM 0 H ALA A 90 8.709 -11.013 -5.257 1.00 0.00 H new ATOM 0 HA ALA A 90 7.044 -10.642 -7.564 1.00 0.00 H new ATOM 0 HB1 ALA A 90 6.224 -8.697 -6.275 1.00 0.00 H new ATOM 0 HB2 ALA A 90 6.268 -10.175 -5.284 1.00 0.00 H new ATOM 0 HB3 ALA A 90 7.533 -8.938 -5.094 1.00 0.00 H new ATOM 1291 N LYS A 91 8.051 -8.804 -8.878 1.00 0.00 N ATOM 1292 CA LYS A 91 8.723 -7.838 -9.739 1.00 0.00 C ATOM 1293 C LYS A 91 7.968 -6.513 -9.762 1.00 0.00 C ATOM 1294 O LYS A 91 8.207 -5.667 -10.623 1.00 0.00 O ATOM 1295 CB LYS A 91 8.848 -8.391 -11.160 1.00 0.00 C ATOM 1296 CG LYS A 91 10.023 -9.336 -11.344 1.00 0.00 C ATOM 1297 CD LYS A 91 11.345 -8.586 -11.357 1.00 0.00 C ATOM 1298 CE LYS A 91 12.473 -9.454 -11.895 1.00 0.00 C ATOM 1299 NZ LYS A 91 12.302 -9.750 -13.344 1.00 0.00 N ATOM 0 H LYS A 91 7.214 -9.221 -9.286 1.00 0.00 H new ATOM 0 HA LYS A 91 9.720 -7.661 -9.336 1.00 0.00 H new ATOM 0 HB2 LYS A 91 7.928 -8.914 -11.419 1.00 0.00 H new ATOM 0 HB3 LYS A 91 8.949 -7.559 -11.857 1.00 0.00 H new ATOM 0 HG2 LYS A 91 10.029 -10.072 -10.540 1.00 0.00 H new ATOM 0 HG3 LYS A 91 9.906 -9.886 -12.278 1.00 0.00 H new ATOM 0 HD2 LYS A 91 11.250 -7.690 -11.970 1.00 0.00 H new ATOM 0 HD3 LYS A 91 11.588 -8.257 -10.347 1.00 0.00 H new ATOM 0 HE2 LYS A 91 13.426 -8.949 -11.737 1.00 0.00 H new ATOM 0 HE3 LYS A 91 12.511 -10.389 -11.335 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 13.216 -10.036 -13.750 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 11.614 -10.521 -13.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 11.957 -8.900 -13.834 1.00 0.00 H new ATOM 1313 N GLY A 92 7.057 -6.339 -8.809 1.00 0.00 N ATOM 1314 CA GLY A 92 6.283 -5.113 -8.738 1.00 0.00 C ATOM 1315 C GLY A 92 5.438 -5.033 -7.482 1.00 0.00 C ATOM 1316 O GLY A 92 5.101 -6.056 -6.886 1.00 0.00 O ATOM 0 H GLY A 92 6.841 -7.025 -8.085 1.00 0.00 H new ATOM 0 HA2 GLY A 92 6.958 -4.258 -8.773 1.00 0.00 H new ATOM 0 HA3 GLY A 92 5.636 -5.044 -9.613 1.00 0.00 H new ATOM 1320 N VAL A 93 5.096 -3.814 -7.078 1.00 0.00 N ATOM 1321 CA VAL A 93 4.285 -3.604 -5.884 1.00 0.00 C ATOM 1322 C VAL A 93 3.082 -2.718 -6.186 1.00 0.00 C ATOM 1323 O VAL A 93 3.008 -2.089 -7.242 1.00 0.00 O ATOM 1324 CB VAL A 93 5.110 -2.963 -4.752 1.00 0.00 C ATOM 1325 CG1 VAL A 93 6.076 -3.975 -4.157 1.00 0.00 C ATOM 1326 CG2 VAL A 93 5.855 -1.739 -5.263 1.00 0.00 C ATOM 0 H VAL A 93 5.368 -2.957 -7.560 1.00 0.00 H new ATOM 0 HA VAL A 93 3.937 -4.585 -5.560 1.00 0.00 H new ATOM 0 HB VAL A 93 4.427 -2.642 -3.965 1.00 0.00 H new ATOM 0 HG11 VAL A 93 6.650 -3.504 -3.359 1.00 0.00 H new ATOM 0 HG12 VAL A 93 5.516 -4.818 -3.752 1.00 0.00 H new ATOM 0 HG13 VAL A 93 6.755 -4.329 -4.932 1.00 0.00 H new ATOM 0 HG21 VAL A 93 6.433 -1.299 -4.450 1.00 0.00 H new ATOM 0 HG22 VAL A 93 6.528 -2.033 -6.069 1.00 0.00 H new ATOM 0 HG23 VAL A 93 5.139 -1.007 -5.637 1.00 0.00 H new ATOM 1336 N THR A 94 2.138 -2.672 -5.250 1.00 0.00 N ATOM 1337 CA THR A 94 0.937 -1.864 -5.415 1.00 0.00 C ATOM 1338 C THR A 94 0.580 -1.139 -4.123 1.00 0.00 C ATOM 1339 O THR A 94 1.215 -1.345 -3.088 1.00 0.00 O ATOM 1340 CB THR A 94 -0.262 -2.724 -5.857 1.00 0.00 C ATOM 1341 OG1 THR A 94 -0.671 -3.581 -4.785 1.00 0.00 O ATOM 1342 CG2 THR A 94 0.092 -3.561 -7.076 1.00 0.00 C ATOM 0 H THR A 94 2.183 -3.185 -4.370 1.00 0.00 H new ATOM 0 HA THR A 94 1.154 -1.130 -6.191 1.00 0.00 H new ATOM 0 HB THR A 94 -1.082 -2.056 -6.121 1.00 0.00 H new ATOM 0 HG1 THR A 94 -0.829 -4.484 -5.131 1.00 0.00 H new ATOM 0 HG21 THR A 94 -0.770 -4.160 -7.369 1.00 0.00 H new ATOM 0 HG22 THR A 94 0.374 -2.904 -7.899 1.00 0.00 H new ATOM 0 HG23 THR A 94 0.926 -4.220 -6.835 1.00 0.00 H new ATOM 1350 N VAL A 95 -0.441 -0.291 -4.188 1.00 0.00 N ATOM 1351 CA VAL A 95 -0.884 0.463 -3.021 1.00 0.00 C ATOM 1352 C VAL A 95 -2.404 0.444 -2.899 1.00 0.00 C ATOM 1353 O VAL A 95 -3.115 0.867 -3.811 1.00 0.00 O ATOM 1354 CB VAL A 95 -0.404 1.926 -3.082 1.00 0.00 C ATOM 1355 CG1 VAL A 95 -0.669 2.631 -1.761 1.00 0.00 C ATOM 1356 CG2 VAL A 95 1.073 1.986 -3.441 1.00 0.00 C ATOM 0 H VAL A 95 -0.977 -0.109 -5.036 1.00 0.00 H new ATOM 0 HA VAL A 95 -0.446 -0.020 -2.148 1.00 0.00 H new ATOM 0 HB VAL A 95 -0.966 2.443 -3.860 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -0.323 3.663 -1.823 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -1.738 2.619 -1.550 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -0.136 2.117 -0.961 1.00 0.00 H new ATOM 0 HG21 VAL A 95 1.396 3.026 -3.480 1.00 0.00 H new ATOM 0 HG22 VAL A 95 1.653 1.454 -2.687 1.00 0.00 H new ATOM 0 HG23 VAL A 95 1.230 1.521 -4.414 1.00 0.00 H new ATOM 1366 N ARG A 96 -2.895 -0.048 -1.767 1.00 0.00 N ATOM 1367 CA ARG A 96 -4.331 -0.123 -1.525 1.00 0.00 C ATOM 1368 C ARG A 96 -4.741 0.814 -0.394 1.00 0.00 C ATOM 1369 O ARG A 96 -4.106 0.849 0.661 1.00 0.00 O ATOM 1370 CB ARG A 96 -4.738 -1.559 -1.186 1.00 0.00 C ATOM 1371 CG ARG A 96 -4.108 -2.601 -2.095 1.00 0.00 C ATOM 1372 CD ARG A 96 -4.867 -3.918 -2.042 1.00 0.00 C ATOM 1373 NE ARG A 96 -4.019 -5.053 -2.395 1.00 0.00 N ATOM 1374 CZ ARG A 96 -4.468 -6.298 -2.510 1.00 0.00 C ATOM 1375 NH1 ARG A 96 -5.750 -6.566 -2.300 1.00 0.00 N ATOM 1376 NH2 ARG A 96 -3.635 -7.278 -2.835 1.00 0.00 N ATOM 0 H ARG A 96 -2.320 -0.401 -1.002 1.00 0.00 H new ATOM 0 HA ARG A 96 -4.845 0.188 -2.435 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -4.459 -1.773 -0.154 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -5.823 -1.644 -1.247 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -4.092 -2.230 -3.120 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -3.072 -2.765 -1.799 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -5.270 -4.064 -1.040 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -5.717 -3.874 -2.724 1.00 0.00 H new ATOM 0 HE ARG A 96 -3.028 -4.881 -2.562 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -6.394 -5.815 -2.050 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -6.092 -7.523 -2.389 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -2.648 -7.076 -2.997 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -3.981 -8.233 -2.923 1.00 0.00 H new ATOM 1390 N THR A 97 -5.809 1.574 -0.619 1.00 0.00 N ATOM 1391 CA THR A 97 -6.304 2.513 0.379 1.00 0.00 C ATOM 1392 C THR A 97 -6.997 1.783 1.524 1.00 0.00 C ATOM 1393 O THR A 97 -8.074 1.213 1.349 1.00 0.00 O ATOM 1394 CB THR A 97 -7.286 3.525 -0.239 1.00 0.00 C ATOM 1395 OG1 THR A 97 -6.842 3.902 -1.547 1.00 0.00 O ATOM 1396 CG2 THR A 97 -7.411 4.762 0.636 1.00 0.00 C ATOM 0 H THR A 97 -6.348 1.557 -1.485 1.00 0.00 H new ATOM 0 HA THR A 97 -5.437 3.050 0.765 1.00 0.00 H new ATOM 0 HB THR A 97 -8.265 3.051 -0.311 1.00 0.00 H new ATOM 0 HG1 THR A 97 -7.479 4.535 -1.939 1.00 0.00 H new ATOM 0 HG21 THR A 97 -8.110 5.462 0.179 1.00 0.00 H new ATOM 0 HG22 THR A 97 -7.778 4.475 1.622 1.00 0.00 H new ATOM 0 HG23 THR A 97 -6.435 5.237 0.736 1.00 0.00 H new ATOM 1404 N LEU A 98 -6.373 1.806 2.697 1.00 0.00 N ATOM 1405 CA LEU A 98 -6.931 1.146 3.873 1.00 0.00 C ATOM 1406 C LEU A 98 -7.929 2.054 4.585 1.00 0.00 C ATOM 1407 O LEU A 98 -7.747 3.271 4.639 1.00 0.00 O ATOM 1408 CB LEU A 98 -5.812 0.744 4.835 1.00 0.00 C ATOM 1409 CG LEU A 98 -4.589 0.081 4.203 1.00 0.00 C ATOM 1410 CD1 LEU A 98 -3.506 -0.147 5.246 1.00 0.00 C ATOM 1411 CD2 LEU A 98 -4.977 -1.232 3.539 1.00 0.00 C ATOM 0 H LEU A 98 -5.481 2.274 2.859 1.00 0.00 H new ATOM 0 HA LEU A 98 -7.456 0.250 3.542 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -5.482 1.635 5.369 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -6.226 0.062 5.578 1.00 0.00 H new ATOM 0 HG LEU A 98 -4.193 0.749 3.438 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -2.643 -0.620 4.777 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -3.207 0.809 5.675 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -3.891 -0.794 6.034 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -4.093 -1.690 3.094 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -5.399 -1.906 4.285 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -5.717 -1.042 2.762 1.00 0.00 H new ATOM 1423 N SER A 99 -8.981 1.455 5.131 1.00 0.00 N ATOM 1424 CA SER A 99 -10.009 2.210 5.839 1.00 0.00 C ATOM 1425 C SER A 99 -10.741 1.323 6.841 1.00 0.00 C ATOM 1426 O SER A 99 -10.433 0.140 6.981 1.00 0.00 O ATOM 1427 CB SER A 99 -11.007 2.809 4.846 1.00 0.00 C ATOM 1428 OG SER A 99 -11.754 1.793 4.198 1.00 0.00 O ATOM 0 H SER A 99 -9.145 0.449 5.097 1.00 0.00 H new ATOM 0 HA SER A 99 -9.521 3.018 6.384 1.00 0.00 H new ATOM 0 HB2 SER A 99 -11.684 3.485 5.369 1.00 0.00 H new ATOM 0 HB3 SER A 99 -10.474 3.403 4.103 1.00 0.00 H new ATOM 0 HG SER A 99 -11.163 1.043 3.977 1.00 0.00 H new ATOM 1434 N ALA A 100 -11.713 1.905 7.537 1.00 0.00 N ATOM 1435 CA ALA A 100 -12.492 1.168 8.525 1.00 0.00 C ATOM 1436 C ALA A 100 -13.307 0.061 7.866 1.00 0.00 C ATOM 1437 O ALA A 100 -13.528 -0.995 8.458 1.00 0.00 O ATOM 1438 CB ALA A 100 -13.404 2.115 9.290 1.00 0.00 C ATOM 0 H ALA A 100 -11.979 2.884 7.435 1.00 0.00 H new ATOM 0 HA ALA A 100 -11.799 0.704 9.226 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -13.980 1.552 10.024 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -12.802 2.867 9.800 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -14.085 2.606 8.594 1.00 0.00 H new ATOM 1444 N GLN A 101 -13.753 0.310 6.639 1.00 0.00 N ATOM 1445 CA GLN A 101 -14.546 -0.666 5.902 1.00 0.00 C ATOM 1446 C GLN A 101 -13.677 -1.826 5.427 1.00 0.00 C ATOM 1447 O GLN A 101 -14.008 -2.991 5.644 1.00 0.00 O ATOM 1448 CB GLN A 101 -15.228 -0.001 4.705 1.00 0.00 C ATOM 1449 CG GLN A 101 -16.346 0.953 5.094 1.00 0.00 C ATOM 1450 CD GLN A 101 -15.838 2.183 5.819 1.00 0.00 C ATOM 1451 OE1 GLN A 101 -14.802 2.745 5.461 1.00 0.00 O ATOM 1452 NE2 GLN A 101 -16.565 2.608 6.845 1.00 0.00 N ATOM 0 H GLN A 101 -13.579 1.179 6.135 1.00 0.00 H new ATOM 0 HA GLN A 101 -15.309 -1.059 6.574 1.00 0.00 H new ATOM 0 HB2 GLN A 101 -14.481 0.544 4.128 1.00 0.00 H new ATOM 0 HB3 GLN A 101 -15.632 -0.774 4.052 1.00 0.00 H new ATOM 0 HG2 GLN A 101 -16.884 1.261 4.197 1.00 0.00 H new ATOM 0 HG3 GLN A 101 -17.060 0.430 5.730 1.00 0.00 H new ATOM 0 HE21 GLN A 101 -17.417 2.112 7.107 1.00 0.00 H new ATOM 0 HE22 GLN A 101 -16.272 3.431 7.372 1.00 0.00 H new ATOM 1461 N GLY A 102 -12.564 -1.499 4.778 1.00 0.00 N ATOM 1462 CA GLY A 102 -11.665 -2.525 4.282 1.00 0.00 C ATOM 1463 C GLY A 102 -10.578 -1.961 3.389 1.00 0.00 C ATOM 1464 O GLY A 102 -10.092 -0.853 3.616 1.00 0.00 O ATOM 0 H GLY A 102 -12.269 -0.542 4.587 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -11.207 -3.041 5.126 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -12.238 -3.268 3.727 1.00 0.00 H new ATOM 1468 N GLU A 103 -10.195 -2.725 2.371 1.00 0.00 N ATOM 1469 CA GLU A 103 -9.156 -2.295 1.443 1.00 0.00 C ATOM 1470 C GLU A 103 -9.724 -2.109 0.039 1.00 0.00 C ATOM 1471 O GLU A 103 -10.796 -2.622 -0.282 1.00 0.00 O ATOM 1472 CB GLU A 103 -8.015 -3.315 1.412 1.00 0.00 C ATOM 1473 CG GLU A 103 -7.486 -3.678 2.789 1.00 0.00 C ATOM 1474 CD GLU A 103 -6.145 -4.384 2.732 1.00 0.00 C ATOM 1475 OE1 GLU A 103 -5.279 -3.950 1.943 1.00 0.00 O ATOM 1476 OE2 GLU A 103 -5.962 -5.370 3.476 1.00 0.00 O ATOM 0 H GLU A 103 -10.588 -3.644 2.168 1.00 0.00 H new ATOM 0 HA GLU A 103 -8.769 -1.337 1.790 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -8.362 -4.221 0.915 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -7.198 -2.915 0.812 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -7.390 -2.772 3.388 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -8.209 -4.319 3.294 1.00 0.00 H new ATOM 1483 N SER A 104 -8.998 -1.370 -0.794 1.00 0.00 N ATOM 1484 CA SER A 104 -9.431 -1.111 -2.162 1.00 0.00 C ATOM 1485 C SER A 104 -8.518 -1.814 -3.162 1.00 0.00 C ATOM 1486 O SER A 104 -7.475 -2.356 -2.795 1.00 0.00 O ATOM 1487 CB SER A 104 -9.446 0.393 -2.438 1.00 0.00 C ATOM 1488 OG SER A 104 -8.187 0.977 -2.154 1.00 0.00 O ATOM 0 H SER A 104 -8.107 -0.940 -0.545 1.00 0.00 H new ATOM 0 HA SER A 104 -10.441 -1.505 -2.279 1.00 0.00 H new ATOM 0 HB2 SER A 104 -9.706 0.572 -3.481 1.00 0.00 H new ATOM 0 HB3 SER A 104 -10.216 0.869 -1.831 1.00 0.00 H new ATOM 0 HG SER A 104 -8.223 1.938 -2.340 1.00 0.00 H new ATOM 1494 N VAL A 105 -8.919 -1.802 -4.430 1.00 0.00 N ATOM 1495 CA VAL A 105 -8.139 -2.437 -5.485 1.00 0.00 C ATOM 1496 C VAL A 105 -6.668 -2.049 -5.389 1.00 0.00 C ATOM 1497 O VAL A 105 -6.310 -1.095 -4.698 1.00 0.00 O ATOM 1498 CB VAL A 105 -8.668 -2.057 -6.880 1.00 0.00 C ATOM 1499 CG1 VAL A 105 -10.109 -2.514 -7.048 1.00 0.00 C ATOM 1500 CG2 VAL A 105 -8.546 -0.557 -7.106 1.00 0.00 C ATOM 0 H VAL A 105 -9.780 -1.359 -4.751 1.00 0.00 H new ATOM 0 HA VAL A 105 -8.238 -3.514 -5.348 1.00 0.00 H new ATOM 0 HB VAL A 105 -8.061 -2.565 -7.630 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -10.465 -2.237 -8.040 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -10.163 -3.597 -6.933 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -10.733 -2.037 -6.292 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -8.925 -0.306 -8.097 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -9.127 -0.027 -6.351 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -7.499 -0.262 -7.032 1.00 0.00 H new ATOM 1510 N ASP A 106 -5.818 -2.796 -6.086 1.00 0.00 N ATOM 1511 CA ASP A 106 -4.385 -2.530 -6.081 1.00 0.00 C ATOM 1512 C ASP A 106 -4.022 -1.484 -7.132 1.00 0.00 C ATOM 1513 O ASP A 106 -4.337 -1.640 -8.312 1.00 0.00 O ATOM 1514 CB ASP A 106 -3.604 -3.820 -6.337 1.00 0.00 C ATOM 1515 CG ASP A 106 -4.332 -5.048 -5.828 1.00 0.00 C ATOM 1516 OD1 ASP A 106 -5.118 -4.915 -4.867 1.00 0.00 O ATOM 1517 OD2 ASP A 106 -4.116 -6.142 -6.390 1.00 0.00 O ATOM 0 H ASP A 106 -6.097 -3.590 -6.661 1.00 0.00 H new ATOM 0 HA ASP A 106 -4.117 -2.141 -5.099 1.00 0.00 H new ATOM 0 HB2 ASP A 106 -3.423 -3.926 -7.407 1.00 0.00 H new ATOM 0 HB3 ASP A 106 -2.629 -3.753 -5.854 1.00 0.00 H new ATOM 1522 N SER A 107 -3.360 -0.418 -6.694 1.00 0.00 N ATOM 1523 CA SER A 107 -2.959 0.655 -7.596 1.00 0.00 C ATOM 1524 C SER A 107 -2.063 0.123 -8.711 1.00 0.00 C ATOM 1525 O SER A 107 -1.719 -1.058 -8.734 1.00 0.00 O ATOM 1526 CB SER A 107 -2.229 1.755 -6.821 1.00 0.00 C ATOM 1527 OG SER A 107 -1.036 1.260 -6.237 1.00 0.00 O ATOM 0 H SER A 107 -3.090 -0.274 -5.721 1.00 0.00 H new ATOM 0 HA SER A 107 -3.860 1.073 -8.046 1.00 0.00 H new ATOM 0 HB2 SER A 107 -1.994 2.582 -7.491 1.00 0.00 H new ATOM 0 HB3 SER A 107 -2.882 2.151 -6.043 1.00 0.00 H new ATOM 0 HG SER A 107 -0.773 0.429 -6.685 1.00 0.00 H new ATOM 1533 N ALA A 108 -1.690 1.004 -9.633 1.00 0.00 N ATOM 1534 CA ALA A 108 -0.834 0.624 -10.750 1.00 0.00 C ATOM 1535 C ALA A 108 0.419 -0.094 -10.261 1.00 0.00 C ATOM 1536 O ALA A 108 1.304 0.518 -9.663 1.00 0.00 O ATOM 1537 CB ALA A 108 -0.457 1.851 -11.567 1.00 0.00 C ATOM 0 H ALA A 108 -1.967 1.986 -9.629 1.00 0.00 H new ATOM 0 HA ALA A 108 -1.391 -0.065 -11.385 1.00 0.00 H new ATOM 0 HB1 ALA A 108 0.182 1.553 -12.398 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -1.360 2.321 -11.955 1.00 0.00 H new ATOM 0 HB3 ALA A 108 0.078 2.559 -10.934 1.00 0.00 H new ATOM 1543 N VAL A 109 0.489 -1.396 -10.519 1.00 0.00 N ATOM 1544 CA VAL A 109 1.634 -2.197 -10.106 1.00 0.00 C ATOM 1545 C VAL A 109 2.942 -1.568 -10.572 1.00 0.00 C ATOM 1546 O VAL A 109 3.289 -1.633 -11.751 1.00 0.00 O ATOM 1547 CB VAL A 109 1.543 -3.633 -10.657 1.00 0.00 C ATOM 1548 CG1 VAL A 109 1.378 -3.615 -12.169 1.00 0.00 C ATOM 1549 CG2 VAL A 109 2.772 -4.436 -10.256 1.00 0.00 C ATOM 0 H VAL A 109 -0.235 -1.918 -11.013 1.00 0.00 H new ATOM 0 HA VAL A 109 1.619 -2.232 -9.017 1.00 0.00 H new ATOM 0 HB VAL A 109 0.666 -4.115 -10.225 1.00 0.00 H new ATOM 0 HG11 VAL A 109 1.316 -4.638 -12.540 1.00 0.00 H new ATOM 0 HG12 VAL A 109 0.466 -3.078 -12.429 1.00 0.00 H new ATOM 0 HG13 VAL A 109 2.234 -3.116 -12.623 1.00 0.00 H new ATOM 0 HG21 VAL A 109 2.691 -5.448 -10.653 1.00 0.00 H new ATOM 0 HG22 VAL A 109 3.666 -3.959 -10.658 1.00 0.00 H new ATOM 0 HG23 VAL A 109 2.841 -4.478 -9.169 1.00 0.00 H new ATOM 1559 N ALA A 110 3.665 -0.958 -9.638 1.00 0.00 N ATOM 1560 CA ALA A 110 4.936 -0.318 -9.952 1.00 0.00 C ATOM 1561 C ALA A 110 6.079 -1.327 -9.926 1.00 0.00 C ATOM 1562 O ALA A 110 6.605 -1.657 -8.864 1.00 0.00 O ATOM 1563 CB ALA A 110 5.211 0.818 -8.977 1.00 0.00 C ATOM 0 H ALA A 110 3.392 -0.894 -8.657 1.00 0.00 H new ATOM 0 HA ALA A 110 4.869 0.091 -10.960 1.00 0.00 H new ATOM 0 HB1 ALA A 110 6.164 1.287 -9.224 1.00 0.00 H new ATOM 0 HB2 ALA A 110 4.414 1.558 -9.046 1.00 0.00 H new ATOM 0 HB3 ALA A 110 5.253 0.424 -7.962 1.00 0.00 H new ATOM 1569 N ALA A 111 6.459 -1.814 -11.103 1.00 0.00 N ATOM 1570 CA ALA A 111 7.541 -2.785 -11.215 1.00 0.00 C ATOM 1571 C ALA A 111 8.823 -2.253 -10.584 1.00 0.00 C ATOM 1572 O ALA A 111 9.413 -1.289 -11.072 1.00 0.00 O ATOM 1573 CB ALA A 111 7.778 -3.145 -12.674 1.00 0.00 C ATOM 0 H ALA A 111 6.034 -1.552 -11.992 1.00 0.00 H new ATOM 0 HA ALA A 111 7.247 -3.684 -10.674 1.00 0.00 H new ATOM 0 HB1 ALA A 111 8.588 -3.871 -12.743 1.00 0.00 H new ATOM 0 HB2 ALA A 111 6.869 -3.575 -13.095 1.00 0.00 H new ATOM 0 HB3 ALA A 111 8.046 -2.247 -13.231 1.00 0.00 H new ATOM 1579 N VAL A 112 9.249 -2.888 -9.497 1.00 0.00 N ATOM 1580 CA VAL A 112 10.462 -2.478 -8.799 1.00 0.00 C ATOM 1581 C VAL A 112 11.698 -2.714 -9.660 1.00 0.00 C ATOM 1582 O VAL A 112 11.840 -3.746 -10.316 1.00 0.00 O ATOM 1583 CB VAL A 112 10.626 -3.235 -7.467 1.00 0.00 C ATOM 1584 CG1 VAL A 112 11.892 -2.788 -6.751 1.00 0.00 C ATOM 1585 CG2 VAL A 112 9.404 -3.030 -6.585 1.00 0.00 C ATOM 0 H VAL A 112 8.773 -3.688 -9.081 1.00 0.00 H new ATOM 0 HA VAL A 112 10.364 -1.412 -8.593 1.00 0.00 H new ATOM 0 HB VAL A 112 10.716 -4.300 -7.682 1.00 0.00 H new ATOM 0 HG11 VAL A 112 11.991 -3.333 -5.812 1.00 0.00 H new ATOM 0 HG12 VAL A 112 12.758 -2.991 -7.382 1.00 0.00 H new ATOM 0 HG13 VAL A 112 11.836 -1.719 -6.545 1.00 0.00 H new ATOM 0 HG21 VAL A 112 9.536 -3.571 -5.648 1.00 0.00 H new ATOM 0 HG22 VAL A 112 9.281 -1.967 -6.376 1.00 0.00 H new ATOM 0 HG23 VAL A 112 8.518 -3.404 -7.098 1.00 0.00 H new ATOM 1595 N PRO A 113 12.615 -1.736 -9.660 1.00 0.00 N ATOM 1596 CA PRO A 113 13.856 -1.814 -10.435 1.00 0.00 C ATOM 1597 C PRO A 113 14.823 -2.854 -9.880 1.00 0.00 C ATOM 1598 O PRO A 113 14.904 -3.079 -8.672 1.00 0.00 O ATOM 1599 CB PRO A 113 14.448 -0.409 -10.301 1.00 0.00 C ATOM 1600 CG PRO A 113 13.886 0.118 -9.026 1.00 0.00 C ATOM 1601 CD PRO A 113 12.511 -0.478 -8.901 1.00 0.00 C ATOM 0 HA PRO A 113 13.673 -2.118 -11.466 1.00 0.00 H new ATOM 0 HB2 PRO A 113 15.537 -0.439 -10.271 1.00 0.00 H new ATOM 0 HB3 PRO A 113 14.170 0.220 -11.146 1.00 0.00 H new ATOM 0 HG2 PRO A 113 14.511 -0.163 -8.179 1.00 0.00 H new ATOM 0 HG3 PRO A 113 13.839 1.207 -9.041 1.00 0.00 H new ATOM 0 HD2 PRO A 113 12.244 -0.658 -7.860 1.00 0.00 H new ATOM 0 HD3 PRO A 113 11.748 0.180 -9.317 1.00 0.00 H new ATOM 1609 N PRO A 114 15.575 -3.505 -10.780 1.00 0.00 N ATOM 1610 CA PRO A 114 16.550 -4.532 -10.401 1.00 0.00 C ATOM 1611 C PRO A 114 17.755 -3.947 -9.673 1.00 0.00 C ATOM 1612 O PRO A 114 18.414 -4.634 -8.893 1.00 0.00 O ATOM 1613 CB PRO A 114 16.976 -5.128 -11.745 1.00 0.00 C ATOM 1614 CG PRO A 114 16.731 -4.043 -12.736 1.00 0.00 C ATOM 1615 CD PRO A 114 15.531 -3.288 -12.235 1.00 0.00 C ATOM 0 HA PRO A 114 16.127 -5.261 -9.710 1.00 0.00 H new ATOM 0 HB2 PRO A 114 18.025 -5.423 -11.732 1.00 0.00 H new ATOM 0 HB3 PRO A 114 16.397 -6.020 -11.984 1.00 0.00 H new ATOM 0 HG2 PRO A 114 17.598 -3.387 -12.819 1.00 0.00 H new ATOM 0 HG3 PRO A 114 16.547 -4.455 -13.728 1.00 0.00 H new ATOM 0 HD2 PRO A 114 15.589 -2.229 -12.485 1.00 0.00 H new ATOM 0 HD3 PRO A 114 14.607 -3.668 -12.670 1.00 0.00 H new ATOM 1623 N GLU A 115 18.037 -2.674 -9.932 1.00 0.00 N ATOM 1624 CA GLU A 115 19.164 -1.997 -9.300 1.00 0.00 C ATOM 1625 C GLU A 115 18.936 -1.848 -7.799 1.00 0.00 C ATOM 1626 O GLU A 115 19.883 -1.861 -7.011 1.00 0.00 O ATOM 1627 CB GLU A 115 19.381 -0.621 -9.933 1.00 0.00 C ATOM 1628 CG GLU A 115 18.324 0.400 -9.549 1.00 0.00 C ATOM 1629 CD GLU A 115 18.775 1.827 -9.790 1.00 0.00 C ATOM 1630 OE1 GLU A 115 19.984 2.101 -9.638 1.00 0.00 O ATOM 1631 OE2 GLU A 115 17.919 2.670 -10.132 1.00 0.00 O ATOM 0 H GLU A 115 17.501 -2.091 -10.575 1.00 0.00 H new ATOM 0 HA GLU A 115 20.055 -2.605 -9.456 1.00 0.00 H new ATOM 0 HB2 GLU A 115 20.361 -0.245 -9.638 1.00 0.00 H new ATOM 0 HB3 GLU A 115 19.394 -0.728 -11.018 1.00 0.00 H new ATOM 0 HG2 GLU A 115 17.416 0.209 -10.120 1.00 0.00 H new ATOM 0 HG3 GLU A 115 18.070 0.276 -8.496 1.00 0.00 H new ATOM 1638 N LEU A 116 17.674 -1.707 -7.409 1.00 0.00 N ATOM 1639 CA LEU A 116 17.320 -1.555 -6.002 1.00 0.00 C ATOM 1640 C LEU A 116 17.136 -2.915 -5.337 1.00 0.00 C ATOM 1641 O LEU A 116 17.422 -3.081 -4.150 1.00 0.00 O ATOM 1642 CB LEU A 116 16.039 -0.730 -5.864 1.00 0.00 C ATOM 1643 CG LEU A 116 16.088 0.687 -6.438 1.00 0.00 C ATOM 1644 CD1 LEU A 116 14.795 1.429 -6.139 1.00 0.00 C ATOM 1645 CD2 LEU A 116 17.283 1.447 -5.882 1.00 0.00 C ATOM 0 H LEU A 116 16.879 -1.695 -8.047 1.00 0.00 H new ATOM 0 HA LEU A 116 18.136 -1.034 -5.502 1.00 0.00 H new ATOM 0 HB2 LEU A 116 15.228 -1.270 -6.352 1.00 0.00 H new ATOM 0 HB3 LEU A 116 15.786 -0.663 -4.806 1.00 0.00 H new ATOM 0 HG LEU A 116 16.200 0.616 -7.520 1.00 0.00 H new ATOM 0 HD11 LEU A 116 14.848 2.435 -6.555 1.00 0.00 H new ATOM 0 HD12 LEU A 116 13.957 0.895 -6.587 1.00 0.00 H new ATOM 0 HD13 LEU A 116 14.651 1.490 -5.060 1.00 0.00 H new ATOM 0 HD21 LEU A 116 17.302 2.453 -6.301 1.00 0.00 H new ATOM 0 HD22 LEU A 116 17.203 1.508 -4.797 1.00 0.00 H new ATOM 0 HD23 LEU A 116 18.202 0.925 -6.149 1.00 0.00 H new ATOM 1657 N LEU A 117 16.661 -3.886 -6.108 1.00 0.00 N ATOM 1658 CA LEU A 117 16.442 -5.233 -5.595 1.00 0.00 C ATOM 1659 C LEU A 117 17.767 -5.913 -5.264 1.00 0.00 C ATOM 1660 O LEU A 117 17.885 -6.608 -4.255 1.00 0.00 O ATOM 1661 CB LEU A 117 15.667 -6.070 -6.615 1.00 0.00 C ATOM 1662 CG LEU A 117 14.215 -5.657 -6.857 1.00 0.00 C ATOM 1663 CD1 LEU A 117 13.756 -6.105 -8.236 1.00 0.00 C ATOM 1664 CD2 LEU A 117 13.310 -6.235 -5.779 1.00 0.00 C ATOM 0 H LEU A 117 16.420 -3.765 -7.092 1.00 0.00 H new ATOM 0 HA LEU A 117 15.857 -5.154 -4.679 1.00 0.00 H new ATOM 0 HB2 LEU A 117 16.198 -6.031 -7.566 1.00 0.00 H new ATOM 0 HB3 LEU A 117 15.678 -7.109 -6.286 1.00 0.00 H new ATOM 0 HG LEU A 117 14.154 -4.570 -6.811 1.00 0.00 H new ATOM 0 HD11 LEU A 117 12.720 -5.803 -8.391 1.00 0.00 H new ATOM 0 HD12 LEU A 117 14.386 -5.644 -8.997 1.00 0.00 H new ATOM 0 HD13 LEU A 117 13.832 -7.190 -8.310 1.00 0.00 H new ATOM 0 HD21 LEU A 117 12.280 -5.931 -5.967 1.00 0.00 H new ATOM 0 HD22 LEU A 117 13.376 -7.323 -5.794 1.00 0.00 H new ATOM 0 HD23 LEU A 117 13.625 -5.866 -4.803 1.00 0.00 H new ATOM 1676 N VAL A 118 18.762 -5.705 -6.120 1.00 0.00 N ATOM 1677 CA VAL A 118 20.080 -6.295 -5.918 1.00 0.00 C ATOM 1678 C VAL A 118 20.878 -5.514 -4.879 1.00 0.00 C ATOM 1679 O VAL A 118 20.887 -4.283 -4.865 1.00 0.00 O ATOM 1680 CB VAL A 118 20.881 -6.344 -7.233 1.00 0.00 C ATOM 1681 CG1 VAL A 118 21.083 -4.943 -7.788 1.00 0.00 C ATOM 1682 CG2 VAL A 118 22.217 -7.038 -7.016 1.00 0.00 C ATOM 0 H VAL A 118 18.681 -5.132 -6.960 1.00 0.00 H new ATOM 0 HA VAL A 118 19.920 -7.312 -5.561 1.00 0.00 H new ATOM 0 HB VAL A 118 20.312 -6.919 -7.964 1.00 0.00 H new ATOM 0 HG11 VAL A 118 21.651 -4.998 -8.717 1.00 0.00 H new ATOM 0 HG12 VAL A 118 20.113 -4.485 -7.982 1.00 0.00 H new ATOM 0 HG13 VAL A 118 21.630 -4.340 -7.063 1.00 0.00 H new ATOM 0 HG21 VAL A 118 22.770 -7.064 -7.955 1.00 0.00 H new ATOM 0 HG22 VAL A 118 22.794 -6.492 -6.270 1.00 0.00 H new ATOM 0 HG23 VAL A 118 22.046 -8.056 -6.668 1.00 0.00 H new