USER MOD reduce.3.24.130724 H: found=0, std=0, add=763, rem=0, adj=19 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 45 THR OG1 : rot 116:sc= -1.01 USER MOD Set 1.2: A 47 THR OG1 : rot 180:sc= 0.0529 USER MOD Set 2.1: A 31 THR OG1 : rot 180:sc= 0.969 USER MOD Set 2.2: A 34 THR OG1 : rot -102:sc= 1.12 USER MOD Single : A 22 GLN : amide:sc= -0.165 K(o=-0.17,f=-2.2!) USER MOD Single : A 25 THR OG1 : rot 180:sc= -0.295 USER MOD Single : A 27 GLN : amide:sc= -0.12 K(o=-0.12,f=-2.2!) USER MOD Single : A 38 SER OG : rot -140:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= -0.142 USER MOD Single : A 51 ASN : amide:sc= -0.991 K(o=-0.99,f=-4.4!) USER MOD Single : A 54 ASN : amide:sc= -2.36 K(o=-2.4,f=-4.5!) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 TYR OH : rot 151:sc= 0.44 USER MOD Single : A 61 TYR OH : rot 21:sc= 0.467 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 GLN : amide:sc= -2.1 X(o=-2.1,f=-2.3) USER MOD Single : A 74 THR OG1 : rot 102:sc= -0.572! USER MOD Single : A 77 SER OG : rot -170:sc= 0.0388 USER MOD Single : A 78 THR OG1 : rot -150:sc= -0.708 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 -130:sc= -0.705 USER MOD Single : A 97 THR OG1 : rot 176:sc= -1.17 USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 101 GLN : amide:sc= -2.76 X(o=-2.8,f=-2.5!) USER MOD Single : A 104 SER OG : rot 153:sc= -0.631 USER MOD Single : A 107 SER OG : rot 0:sc= -2.84! USER MOD ----------------------------------------------------------------- ATOM 185 N GLY A 16 -17.189 2.895 1.260 1.00 0.00 N ATOM 186 CA GLY A 16 -16.153 2.222 0.499 1.00 0.00 C ATOM 187 C GLY A 16 -16.710 1.451 -0.682 1.00 0.00 C ATOM 188 O GLY A 16 -17.919 1.407 -0.907 1.00 0.00 O ATOM 0 HA2 GLY A 16 -15.433 2.958 0.142 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -15.612 1.538 1.153 1.00 0.00 H new ATOM 192 N PRO A 17 -15.814 0.827 -1.461 1.00 0.00 N ATOM 193 CA PRO A 17 -14.372 0.873 -1.204 1.00 0.00 C ATOM 194 C PRO A 17 -13.781 2.254 -1.463 1.00 0.00 C ATOM 195 O PRO A 17 -14.244 3.003 -2.323 1.00 0.00 O ATOM 196 CB PRO A 17 -13.802 -0.147 -2.193 1.00 0.00 C ATOM 197 CG PRO A 17 -14.801 -0.203 -3.297 1.00 0.00 C ATOM 198 CD PRO A 17 -16.141 0.028 -2.655 1.00 0.00 C ATOM 0 HA PRO A 17 -14.137 0.654 -0.162 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -12.823 0.162 -2.560 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -13.674 -1.123 -1.725 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -14.593 0.557 -4.050 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -14.771 -1.169 -3.802 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -16.819 0.561 -3.321 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -16.627 -0.911 -2.390 1.00 0.00 H new ATOM 206 N PRO A 18 -12.732 2.602 -0.702 1.00 0.00 N ATOM 207 CA PRO A 18 -12.054 3.895 -0.832 1.00 0.00 C ATOM 208 C PRO A 18 -11.271 4.011 -2.136 1.00 0.00 C ATOM 209 O PRO A 18 -10.590 3.072 -2.547 1.00 0.00 O ATOM 210 CB PRO A 18 -11.103 3.919 0.367 1.00 0.00 C ATOM 211 CG PRO A 18 -10.854 2.484 0.681 1.00 0.00 C ATOM 212 CD PRO A 18 -12.127 1.759 0.343 1.00 0.00 C ATOM 0 HA PRO A 18 -12.760 4.725 -0.850 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -10.175 4.438 0.126 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -11.548 4.439 1.215 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -10.018 2.097 0.099 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -10.598 2.353 1.732 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -11.931 0.750 -0.018 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -12.779 1.665 1.211 1.00 0.00 H new ATOM 220 N ALA A 19 -11.374 5.168 -2.782 1.00 0.00 N ATOM 221 CA ALA A 19 -10.674 5.406 -4.037 1.00 0.00 C ATOM 222 C ALA A 19 -9.189 5.085 -3.907 1.00 0.00 C ATOM 223 O ALA A 19 -8.475 5.658 -3.084 1.00 0.00 O ATOM 224 CB ALA A 19 -10.867 6.848 -4.484 1.00 0.00 C ATOM 0 H ALA A 19 -11.936 5.955 -2.456 1.00 0.00 H new ATOM 0 HA ALA A 19 -11.097 4.743 -4.792 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -10.338 7.012 -5.423 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -11.929 7.046 -4.626 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -10.472 7.521 -3.723 1.00 0.00 H new ATOM 230 N PRO A 20 -8.711 4.146 -4.738 1.00 0.00 N ATOM 231 CA PRO A 20 -7.306 3.728 -4.734 1.00 0.00 C ATOM 232 C PRO A 20 -6.376 4.813 -5.268 1.00 0.00 C ATOM 233 O PRO A 20 -6.761 5.643 -6.092 1.00 0.00 O ATOM 234 CB PRO A 20 -7.296 2.511 -5.663 1.00 0.00 C ATOM 235 CG PRO A 20 -8.463 2.715 -6.567 1.00 0.00 C ATOM 236 CD PRO A 20 -9.505 3.422 -5.744 1.00 0.00 C ATOM 0 HA PRO A 20 -6.947 3.516 -3.727 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -6.365 2.451 -6.226 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -7.389 1.582 -5.100 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -8.184 3.309 -7.437 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -8.840 1.762 -6.939 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -10.102 4.103 -6.351 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -10.196 2.718 -5.280 1.00 0.00 H new ATOM 244 N PRO A 21 -5.123 4.807 -4.789 1.00 0.00 N ATOM 245 CA PRO A 21 -4.113 5.784 -5.206 1.00 0.00 C ATOM 246 C PRO A 21 -3.667 5.578 -6.649 1.00 0.00 C ATOM 247 O PRO A 21 -4.073 4.616 -7.301 1.00 0.00 O ATOM 248 CB PRO A 21 -2.950 5.524 -4.245 1.00 0.00 C ATOM 249 CG PRO A 21 -3.115 4.103 -3.828 1.00 0.00 C ATOM 250 CD PRO A 21 -4.596 3.847 -3.806 1.00 0.00 C ATOM 0 HA PRO A 21 -4.494 6.804 -5.170 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -1.989 5.684 -4.734 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -2.987 6.195 -3.387 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -2.613 3.431 -4.524 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -2.675 3.931 -2.846 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -4.830 2.819 -4.083 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -5.018 4.014 -2.815 1.00 0.00 H new ATOM 258 N GLN A 22 -2.830 6.486 -7.141 1.00 0.00 N ATOM 259 CA GLN A 22 -2.330 6.402 -8.508 1.00 0.00 C ATOM 260 C GLN A 22 -0.926 6.988 -8.611 1.00 0.00 C ATOM 261 O GLN A 22 -0.381 7.495 -7.630 1.00 0.00 O ATOM 262 CB GLN A 22 -3.272 7.136 -9.464 1.00 0.00 C ATOM 263 CG GLN A 22 -4.634 6.474 -9.603 1.00 0.00 C ATOM 264 CD GLN A 22 -5.313 6.807 -10.917 1.00 0.00 C ATOM 265 OE1 GLN A 22 -4.717 7.429 -11.797 1.00 0.00 O ATOM 266 NE2 GLN A 22 -6.568 6.395 -11.056 1.00 0.00 N ATOM 0 H GLN A 22 -2.484 7.288 -6.614 1.00 0.00 H new ATOM 0 HA GLN A 22 -2.287 5.349 -8.788 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -3.408 8.159 -9.113 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -2.804 7.196 -10.447 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -4.518 5.393 -9.522 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -5.273 6.789 -8.778 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -7.023 5.882 -10.301 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -7.077 6.591 -11.918 1.00 0.00 H new ATOM 275 N ASP A 23 -0.345 6.914 -9.803 1.00 0.00 N ATOM 276 CA ASP A 23 0.996 7.437 -10.034 1.00 0.00 C ATOM 277 C ASP A 23 2.016 6.732 -9.145 1.00 0.00 C ATOM 278 O ASP A 23 3.002 7.331 -8.717 1.00 0.00 O ATOM 279 CB ASP A 23 1.031 8.944 -9.775 1.00 0.00 C ATOM 280 CG ASP A 23 0.712 9.753 -11.017 1.00 0.00 C ATOM 281 OD1 ASP A 23 -0.470 9.778 -11.421 1.00 0.00 O ATOM 282 OD2 ASP A 23 1.643 10.361 -11.583 1.00 0.00 O ATOM 0 H ASP A 23 -0.782 6.497 -10.625 1.00 0.00 H new ATOM 0 HA ASP A 23 1.257 7.249 -11.075 1.00 0.00 H new ATOM 0 HB2 ASP A 23 0.316 9.191 -8.990 1.00 0.00 H new ATOM 0 HB3 ASP A 23 2.018 9.223 -9.407 1.00 0.00 H new ATOM 287 N VAL A 24 1.770 5.455 -8.869 1.00 0.00 N ATOM 288 CA VAL A 24 2.666 4.667 -8.031 1.00 0.00 C ATOM 289 C VAL A 24 4.045 4.541 -8.668 1.00 0.00 C ATOM 290 O VAL A 24 4.168 4.354 -9.879 1.00 0.00 O ATOM 291 CB VAL A 24 2.100 3.258 -7.774 1.00 0.00 C ATOM 292 CG1 VAL A 24 2.970 2.506 -6.778 1.00 0.00 C ATOM 293 CG2 VAL A 24 0.663 3.342 -7.281 1.00 0.00 C ATOM 0 H VAL A 24 0.957 4.944 -9.214 1.00 0.00 H new ATOM 0 HA VAL A 24 2.755 5.193 -7.081 1.00 0.00 H new ATOM 0 HB VAL A 24 2.106 2.707 -8.714 1.00 0.00 H new ATOM 0 HG11 VAL A 24 2.554 1.513 -6.609 1.00 0.00 H new ATOM 0 HG12 VAL A 24 3.981 2.414 -7.175 1.00 0.00 H new ATOM 0 HG13 VAL A 24 2.999 3.052 -5.835 1.00 0.00 H new ATOM 0 HG21 VAL A 24 0.279 2.337 -7.105 1.00 0.00 H new ATOM 0 HG22 VAL A 24 0.630 3.911 -6.352 1.00 0.00 H new ATOM 0 HG23 VAL A 24 0.049 3.838 -8.033 1.00 0.00 H new ATOM 303 N THR A 25 5.083 4.644 -7.843 1.00 0.00 N ATOM 304 CA THR A 25 6.455 4.542 -8.325 1.00 0.00 C ATOM 305 C THR A 25 7.413 4.199 -7.190 1.00 0.00 C ATOM 306 O THR A 25 7.095 4.395 -6.016 1.00 0.00 O ATOM 307 CB THR A 25 6.915 5.852 -8.992 1.00 0.00 C ATOM 308 OG1 THR A 25 8.331 6.005 -8.846 1.00 0.00 O ATOM 309 CG2 THR A 25 6.204 7.049 -8.380 1.00 0.00 C ATOM 0 H THR A 25 4.999 4.798 -6.838 1.00 0.00 H new ATOM 0 HA THR A 25 6.471 3.741 -9.064 1.00 0.00 H new ATOM 0 HB THR A 25 6.663 5.803 -10.051 1.00 0.00 H new ATOM 0 HG1 THR A 25 8.616 6.839 -9.274 1.00 0.00 H new ATOM 0 HG21 THR A 25 6.545 7.963 -8.867 1.00 0.00 H new ATOM 0 HG22 THR A 25 5.128 6.943 -8.519 1.00 0.00 H new ATOM 0 HG23 THR A 25 6.429 7.100 -7.315 1.00 0.00 H new ATOM 317 N VAL A 26 8.587 3.688 -7.546 1.00 0.00 N ATOM 318 CA VAL A 26 9.592 3.320 -6.556 1.00 0.00 C ATOM 319 C VAL A 26 10.854 4.160 -6.716 1.00 0.00 C ATOM 320 O VAL A 26 11.608 3.988 -7.673 1.00 0.00 O ATOM 321 CB VAL A 26 9.964 1.829 -6.661 1.00 0.00 C ATOM 322 CG1 VAL A 26 11.117 1.499 -5.726 1.00 0.00 C ATOM 323 CG2 VAL A 26 8.755 0.956 -6.361 1.00 0.00 C ATOM 0 H VAL A 26 8.866 3.519 -8.513 1.00 0.00 H new ATOM 0 HA VAL A 26 9.155 3.509 -5.576 1.00 0.00 H new ATOM 0 HB VAL A 26 10.287 1.624 -7.682 1.00 0.00 H new ATOM 0 HG11 VAL A 26 11.366 0.441 -5.814 1.00 0.00 H new ATOM 0 HG12 VAL A 26 11.986 2.100 -5.994 1.00 0.00 H new ATOM 0 HG13 VAL A 26 10.827 1.719 -4.699 1.00 0.00 H new ATOM 0 HG21 VAL A 26 9.036 -0.094 -6.440 1.00 0.00 H new ATOM 0 HG22 VAL A 26 8.399 1.162 -5.351 1.00 0.00 H new ATOM 0 HG23 VAL A 26 7.962 1.174 -7.077 1.00 0.00 H new ATOM 333 N GLN A 27 11.077 5.069 -5.772 1.00 0.00 N ATOM 334 CA GLN A 27 12.248 5.936 -5.809 1.00 0.00 C ATOM 335 C GLN A 27 13.447 5.260 -5.151 1.00 0.00 C ATOM 336 O GLN A 27 14.357 4.789 -5.833 1.00 0.00 O ATOM 337 CB GLN A 27 11.949 7.263 -5.108 1.00 0.00 C ATOM 338 CG GLN A 27 10.764 8.009 -5.700 1.00 0.00 C ATOM 339 CD GLN A 27 11.169 8.965 -6.804 1.00 0.00 C ATOM 340 OE1 GLN A 27 12.345 9.299 -6.952 1.00 0.00 O ATOM 341 NE2 GLN A 27 10.195 9.412 -7.588 1.00 0.00 N ATOM 0 H GLN A 27 10.462 5.224 -4.973 1.00 0.00 H new ATOM 0 HA GLN A 27 12.491 6.131 -6.853 1.00 0.00 H new ATOM 0 HB2 GLN A 27 11.757 7.072 -4.052 1.00 0.00 H new ATOM 0 HB3 GLN A 27 12.832 7.900 -5.161 1.00 0.00 H new ATOM 0 HG2 GLN A 27 10.046 7.289 -6.093 1.00 0.00 H new ATOM 0 HG3 GLN A 27 10.258 8.565 -4.911 1.00 0.00 H new ATOM 0 HE21 GLN A 27 9.234 9.109 -7.430 1.00 0.00 H new ATOM 0 HE22 GLN A 27 10.408 10.058 -8.348 1.00 0.00 H new ATOM 350 N ALA A 28 13.441 5.216 -3.823 1.00 0.00 N ATOM 351 CA ALA A 28 14.527 4.596 -3.074 1.00 0.00 C ATOM 352 C ALA A 28 14.227 4.587 -1.579 1.00 0.00 C ATOM 353 O ALA A 28 13.710 5.560 -1.033 1.00 0.00 O ATOM 354 CB ALA A 28 15.837 5.321 -3.347 1.00 0.00 C ATOM 0 H ALA A 28 12.696 5.602 -3.243 1.00 0.00 H new ATOM 0 HA ALA A 28 14.621 3.562 -3.406 1.00 0.00 H new ATOM 0 HB1 ALA A 28 16.640 4.848 -2.781 1.00 0.00 H new ATOM 0 HB2 ALA A 28 16.065 5.271 -4.412 1.00 0.00 H new ATOM 0 HB3 ALA A 28 15.746 6.364 -3.044 1.00 0.00 H new ATOM 360 N GLY A 29 14.556 3.479 -0.921 1.00 0.00 N ATOM 361 CA GLY A 29 14.313 3.363 0.505 1.00 0.00 C ATOM 362 C GLY A 29 15.501 3.811 1.333 1.00 0.00 C ATOM 363 O GLY A 29 16.650 3.570 0.965 1.00 0.00 O ATOM 0 H GLY A 29 14.986 2.660 -1.350 1.00 0.00 H new ATOM 0 HA2 GLY A 29 13.442 3.961 0.772 1.00 0.00 H new ATOM 0 HA3 GLY A 29 14.075 2.327 0.747 1.00 0.00 H new ATOM 367 N VAL A 30 15.223 4.467 2.456 1.00 0.00 N ATOM 368 CA VAL A 30 16.278 4.951 3.338 1.00 0.00 C ATOM 369 C VAL A 30 17.429 3.954 3.418 1.00 0.00 C ATOM 370 O VAL A 30 18.574 4.329 3.673 1.00 0.00 O ATOM 371 CB VAL A 30 15.744 5.216 4.758 1.00 0.00 C ATOM 372 CG1 VAL A 30 16.858 5.717 5.664 1.00 0.00 C ATOM 373 CG2 VAL A 30 14.592 6.209 4.717 1.00 0.00 C ATOM 0 H VAL A 30 14.277 4.675 2.776 1.00 0.00 H new ATOM 0 HA VAL A 30 16.641 5.887 2.913 1.00 0.00 H new ATOM 0 HB VAL A 30 15.371 4.277 5.167 1.00 0.00 H new ATOM 0 HG11 VAL A 30 16.461 5.898 6.663 1.00 0.00 H new ATOM 0 HG12 VAL A 30 17.648 4.968 5.718 1.00 0.00 H new ATOM 0 HG13 VAL A 30 17.265 6.645 5.261 1.00 0.00 H new ATOM 0 HG21 VAL A 30 14.227 6.385 5.729 1.00 0.00 H new ATOM 0 HG22 VAL A 30 14.937 7.149 4.288 1.00 0.00 H new ATOM 0 HG23 VAL A 30 13.785 5.805 4.105 1.00 0.00 H new ATOM 383 N THR A 31 17.117 2.681 3.198 1.00 0.00 N ATOM 384 CA THR A 31 18.125 1.628 3.246 1.00 0.00 C ATOM 385 C THR A 31 18.186 0.867 1.927 1.00 0.00 C ATOM 386 O THR A 31 17.231 0.842 1.151 1.00 0.00 O ATOM 387 CB THR A 31 17.844 0.633 4.387 1.00 0.00 C ATOM 388 OG1 THR A 31 16.440 0.367 4.471 1.00 0.00 O ATOM 389 CG2 THR A 31 18.342 1.180 5.717 1.00 0.00 C ATOM 0 H THR A 31 16.175 2.354 2.985 1.00 0.00 H new ATOM 0 HA THR A 31 19.083 2.115 3.427 1.00 0.00 H new ATOM 0 HB THR A 31 18.376 -0.293 4.171 1.00 0.00 H new ATOM 0 HG1 THR A 31 16.270 -0.268 5.198 1.00 0.00 H new ATOM 0 HG21 THR A 31 18.132 0.460 6.508 1.00 0.00 H new ATOM 0 HG22 THR A 31 19.417 1.354 5.660 1.00 0.00 H new ATOM 0 HG23 THR A 31 17.834 2.119 5.937 1.00 0.00 H new ATOM 397 N PRO A 32 19.337 0.229 1.664 1.00 0.00 N ATOM 398 CA PRO A 32 19.550 -0.546 0.439 1.00 0.00 C ATOM 399 C PRO A 32 18.721 -1.826 0.411 1.00 0.00 C ATOM 400 O PRO A 32 18.702 -2.543 -0.589 1.00 0.00 O ATOM 401 CB PRO A 32 21.044 -0.878 0.484 1.00 0.00 C ATOM 402 CG PRO A 32 21.397 -0.840 1.931 1.00 0.00 C ATOM 403 CD PRO A 32 20.518 0.216 2.544 1.00 0.00 C ATOM 0 HA PRO A 32 19.249 0.007 -0.450 1.00 0.00 H new ATOM 0 HB2 PRO A 32 21.245 -1.859 0.053 1.00 0.00 H new ATOM 0 HB3 PRO A 32 21.628 -0.154 -0.085 1.00 0.00 H new ATOM 0 HG2 PRO A 32 21.227 -1.809 2.400 1.00 0.00 H new ATOM 0 HG3 PRO A 32 22.451 -0.599 2.069 1.00 0.00 H new ATOM 0 HD2 PRO A 32 20.251 -0.030 3.572 1.00 0.00 H new ATOM 0 HD3 PRO A 32 21.013 1.187 2.567 1.00 0.00 H new ATOM 411 N ALA A 33 18.037 -2.106 1.515 1.00 0.00 N ATOM 412 CA ALA A 33 17.204 -3.298 1.615 1.00 0.00 C ATOM 413 C ALA A 33 15.722 -2.936 1.596 1.00 0.00 C ATOM 414 O ALA A 33 14.863 -3.775 1.870 1.00 0.00 O ATOM 415 CB ALA A 33 17.543 -4.074 2.879 1.00 0.00 C ATOM 0 H ALA A 33 18.043 -1.524 2.353 1.00 0.00 H new ATOM 0 HA ALA A 33 17.409 -3.928 0.749 1.00 0.00 H new ATOM 0 HB1 ALA A 33 16.913 -4.962 2.941 1.00 0.00 H new ATOM 0 HB2 ALA A 33 18.591 -4.373 2.852 1.00 0.00 H new ATOM 0 HB3 ALA A 33 17.368 -3.444 3.751 1.00 0.00 H new ATOM 421 N THR A 34 15.429 -1.680 1.273 1.00 0.00 N ATOM 422 CA THR A 34 14.052 -1.206 1.221 1.00 0.00 C ATOM 423 C THR A 34 13.852 -0.223 0.072 1.00 0.00 C ATOM 424 O THR A 34 14.815 0.208 -0.562 1.00 0.00 O ATOM 425 CB THR A 34 13.641 -0.527 2.540 1.00 0.00 C ATOM 426 OG1 THR A 34 14.331 0.720 2.685 1.00 0.00 O ATOM 427 CG2 THR A 34 13.949 -1.423 3.730 1.00 0.00 C ATOM 0 H THR A 34 16.127 -0.973 1.044 1.00 0.00 H new ATOM 0 HA THR A 34 13.422 -2.081 1.061 1.00 0.00 H new ATOM 0 HB THR A 34 12.566 -0.347 2.510 1.00 0.00 H new ATOM 0 HG1 THR A 34 15.076 0.611 3.312 1.00 0.00 H new ATOM 0 HG21 THR A 34 13.650 -0.921 4.650 1.00 0.00 H new ATOM 0 HG22 THR A 34 13.400 -2.359 3.632 1.00 0.00 H new ATOM 0 HG23 THR A 34 15.018 -1.631 3.762 1.00 0.00 H new ATOM 435 N ILE A 35 12.597 0.127 -0.189 1.00 0.00 N ATOM 436 CA ILE A 35 12.272 1.060 -1.260 1.00 0.00 C ATOM 437 C ILE A 35 11.237 2.082 -0.803 1.00 0.00 C ATOM 438 O ILE A 35 10.698 1.985 0.300 1.00 0.00 O ATOM 439 CB ILE A 35 11.738 0.326 -2.504 1.00 0.00 C ATOM 440 CG1 ILE A 35 10.716 -0.737 -2.096 1.00 0.00 C ATOM 441 CG2 ILE A 35 12.884 -0.303 -3.280 1.00 0.00 C ATOM 442 CD1 ILE A 35 9.745 -1.097 -3.198 1.00 0.00 C ATOM 0 H ILE A 35 11.789 -0.222 0.327 1.00 0.00 H new ATOM 0 HA ILE A 35 13.197 1.575 -1.521 1.00 0.00 H new ATOM 0 HB ILE A 35 11.242 1.050 -3.150 1.00 0.00 H new ATOM 0 HG12 ILE A 35 11.245 -1.636 -1.781 1.00 0.00 H new ATOM 0 HG13 ILE A 35 10.156 -0.378 -1.232 1.00 0.00 H new ATOM 0 HG21 ILE A 35 12.491 -0.818 -4.156 1.00 0.00 H new ATOM 0 HG22 ILE A 35 13.578 0.475 -3.598 1.00 0.00 H new ATOM 0 HG23 ILE A 35 13.406 -1.017 -2.643 1.00 0.00 H new ATOM 0 HD11 ILE A 35 9.050 -1.856 -2.837 1.00 0.00 H new ATOM 0 HD12 ILE A 35 9.189 -0.209 -3.497 1.00 0.00 H new ATOM 0 HD13 ILE A 35 10.295 -1.486 -4.055 1.00 0.00 H new ATOM 454 N ARG A 36 10.962 3.061 -1.659 1.00 0.00 N ATOM 455 CA ARG A 36 9.990 4.101 -1.343 1.00 0.00 C ATOM 456 C ARG A 36 8.891 4.157 -2.400 1.00 0.00 C ATOM 457 O ARG A 36 9.074 4.734 -3.472 1.00 0.00 O ATOM 458 CB ARG A 36 10.682 5.462 -1.240 1.00 0.00 C ATOM 459 CG ARG A 36 9.804 6.548 -0.641 1.00 0.00 C ATOM 460 CD ARG A 36 10.629 7.740 -0.180 1.00 0.00 C ATOM 461 NE ARG A 36 9.833 8.692 0.589 1.00 0.00 N ATOM 462 CZ ARG A 36 10.354 9.713 1.260 1.00 0.00 C ATOM 463 NH1 ARG A 36 11.665 9.913 1.256 1.00 0.00 N ATOM 464 NH2 ARG A 36 9.563 10.537 1.936 1.00 0.00 N ATOM 0 H ARG A 36 11.398 3.156 -2.576 1.00 0.00 H new ATOM 0 HA ARG A 36 9.535 3.858 -0.383 1.00 0.00 H new ATOM 0 HB2 ARG A 36 11.581 5.358 -0.633 1.00 0.00 H new ATOM 0 HB3 ARG A 36 11.003 5.773 -2.234 1.00 0.00 H new ATOM 0 HG2 ARG A 36 9.072 6.875 -1.380 1.00 0.00 H new ATOM 0 HG3 ARG A 36 9.246 6.142 0.203 1.00 0.00 H new ATOM 0 HD2 ARG A 36 11.463 7.390 0.428 1.00 0.00 H new ATOM 0 HD3 ARG A 36 11.056 8.242 -1.048 1.00 0.00 H new ATOM 0 HE ARG A 36 8.821 8.566 0.612 1.00 0.00 H new ATOM 0 HH11 ARG A 36 12.276 9.282 0.737 1.00 0.00 H new ATOM 0 HH12 ARG A 36 12.063 10.698 1.772 1.00 0.00 H new ATOM 0 HH21 ARG A 36 8.554 10.386 1.940 1.00 0.00 H new ATOM 0 HH22 ARG A 36 9.964 11.321 2.451 1.00 0.00 H new ATOM 478 N VAL A 37 7.748 3.553 -2.090 1.00 0.00 N ATOM 479 CA VAL A 37 6.619 3.534 -3.012 1.00 0.00 C ATOM 480 C VAL A 37 5.844 4.846 -2.960 1.00 0.00 C ATOM 481 O VAL A 37 4.989 5.040 -2.096 1.00 0.00 O ATOM 482 CB VAL A 37 5.658 2.371 -2.700 1.00 0.00 C ATOM 483 CG1 VAL A 37 4.681 2.163 -3.846 1.00 0.00 C ATOM 484 CG2 VAL A 37 6.439 1.097 -2.416 1.00 0.00 C ATOM 0 H VAL A 37 7.580 3.070 -1.207 1.00 0.00 H new ATOM 0 HA VAL A 37 7.031 3.397 -4.012 1.00 0.00 H new ATOM 0 HB VAL A 37 5.085 2.625 -1.808 1.00 0.00 H new ATOM 0 HG11 VAL A 37 4.011 1.337 -3.607 1.00 0.00 H new ATOM 0 HG12 VAL A 37 4.098 3.072 -3.997 1.00 0.00 H new ATOM 0 HG13 VAL A 37 5.233 1.930 -4.757 1.00 0.00 H new ATOM 0 HG21 VAL A 37 5.745 0.286 -2.198 1.00 0.00 H new ATOM 0 HG22 VAL A 37 7.039 0.836 -3.288 1.00 0.00 H new ATOM 0 HG23 VAL A 37 7.094 1.255 -1.559 1.00 0.00 H new ATOM 494 N SER A 38 6.149 5.745 -3.891 1.00 0.00 N ATOM 495 CA SER A 38 5.484 7.041 -3.949 1.00 0.00 C ATOM 496 C SER A 38 4.217 6.964 -4.796 1.00 0.00 C ATOM 497 O SER A 38 4.192 6.305 -5.835 1.00 0.00 O ATOM 498 CB SER A 38 6.430 8.098 -4.522 1.00 0.00 C ATOM 499 OG SER A 38 7.776 7.817 -4.178 1.00 0.00 O ATOM 0 H SER A 38 6.852 5.599 -4.615 1.00 0.00 H new ATOM 0 HA SER A 38 5.205 7.325 -2.934 1.00 0.00 H new ATOM 0 HB2 SER A 38 6.328 8.132 -5.607 1.00 0.00 H new ATOM 0 HB3 SER A 38 6.153 9.082 -4.144 1.00 0.00 H new ATOM 0 HG SER A 38 8.238 8.652 -3.955 1.00 0.00 H new ATOM 505 N TRP A 39 3.169 7.641 -4.343 1.00 0.00 N ATOM 506 CA TRP A 39 1.898 7.650 -5.058 1.00 0.00 C ATOM 507 C TRP A 39 1.146 8.955 -4.817 1.00 0.00 C ATOM 508 O TRP A 39 1.594 9.806 -4.048 1.00 0.00 O ATOM 509 CB TRP A 39 1.036 6.463 -4.624 1.00 0.00 C ATOM 510 CG TRP A 39 0.695 6.479 -3.164 1.00 0.00 C ATOM 511 CD1 TRP A 39 -0.240 7.262 -2.550 1.00 0.00 C ATOM 512 CD2 TRP A 39 1.288 5.677 -2.137 1.00 0.00 C ATOM 513 NE1 TRP A 39 -0.264 6.995 -1.202 1.00 0.00 N ATOM 514 CE2 TRP A 39 0.662 6.026 -0.924 1.00 0.00 C ATOM 515 CE3 TRP A 39 2.284 4.697 -2.124 1.00 0.00 C ATOM 516 CZ2 TRP A 39 1.003 5.430 0.287 1.00 0.00 C ATOM 517 CZ3 TRP A 39 2.621 4.106 -0.921 1.00 0.00 C ATOM 518 CH2 TRP A 39 1.982 4.473 0.271 1.00 0.00 C ATOM 0 H TRP A 39 3.174 8.191 -3.484 1.00 0.00 H new ATOM 0 HA TRP A 39 2.110 7.566 -6.124 1.00 0.00 H new ATOM 0 HB2 TRP A 39 0.114 6.461 -5.205 1.00 0.00 H new ATOM 0 HB3 TRP A 39 1.562 5.537 -4.857 1.00 0.00 H new ATOM 0 HD1 TRP A 39 -0.868 7.985 -3.050 1.00 0.00 H new ATOM 0 HE1 TRP A 39 -0.873 7.446 -0.519 1.00 0.00 H new ATOM 0 HE3 TRP A 39 2.781 4.407 -3.038 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 0.513 5.713 1.207 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 3.390 3.348 -0.899 1.00 0.00 H new ATOM 0 HH2 TRP A 39 2.267 3.992 1.195 1.00 0.00 H new ATOM 529 N ARG A 40 0.003 9.105 -5.477 1.00 0.00 N ATOM 530 CA ARG A 40 -0.810 10.307 -5.334 1.00 0.00 C ATOM 531 C ARG A 40 -2.154 9.981 -4.691 1.00 0.00 C ATOM 532 O ARG A 40 -3.033 9.374 -5.303 1.00 0.00 O ATOM 533 CB ARG A 40 -1.031 10.964 -6.698 1.00 0.00 C ATOM 534 CG ARG A 40 0.141 11.813 -7.163 1.00 0.00 C ATOM 535 CD ARG A 40 0.103 13.201 -6.545 1.00 0.00 C ATOM 536 NE ARG A 40 1.279 13.991 -6.898 1.00 0.00 N ATOM 537 CZ ARG A 40 1.652 15.087 -6.247 1.00 0.00 C ATOM 538 NH1 ARG A 40 0.943 15.521 -5.214 1.00 0.00 N ATOM 539 NH2 ARG A 40 2.735 15.751 -6.629 1.00 0.00 N ATOM 0 H ARG A 40 -0.381 8.409 -6.116 1.00 0.00 H new ATOM 0 HA ARG A 40 -0.276 11.002 -4.686 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -1.223 10.188 -7.439 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -1.924 11.587 -6.651 1.00 0.00 H new ATOM 0 HG2 ARG A 40 1.076 11.321 -6.897 1.00 0.00 H new ATOM 0 HG3 ARG A 40 0.123 11.897 -8.250 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -0.796 13.721 -6.877 1.00 0.00 H new ATOM 0 HD3 ARG A 40 0.038 13.113 -5.461 1.00 0.00 H new ATOM 0 HE ARG A 40 1.846 13.684 -7.689 1.00 0.00 H new ATOM 0 HH11 ARG A 40 0.110 15.013 -4.918 1.00 0.00 H new ATOM 0 HH12 ARG A 40 1.231 16.363 -4.715 1.00 0.00 H new ATOM 0 HH21 ARG A 40 3.282 15.420 -7.424 1.00 0.00 H new ATOM 0 HH22 ARG A 40 3.020 16.593 -6.128 1.00 0.00 H new ATOM 553 N PRO A 41 -2.320 10.393 -3.425 1.00 0.00 N ATOM 554 CA PRO A 41 -3.554 10.156 -2.670 1.00 0.00 C ATOM 555 C PRO A 41 -4.723 10.983 -3.196 1.00 0.00 C ATOM 556 O PRO A 41 -4.616 12.192 -3.400 1.00 0.00 O ATOM 557 CB PRO A 41 -3.190 10.589 -1.248 1.00 0.00 C ATOM 558 CG PRO A 41 -2.086 11.574 -1.424 1.00 0.00 C ATOM 559 CD PRO A 41 -1.315 11.122 -2.633 1.00 0.00 C ATOM 0 HA PRO A 41 -3.883 9.119 -2.743 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -4.044 11.037 -0.740 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -2.870 9.739 -0.645 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -2.480 12.580 -1.567 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -1.446 11.604 -0.542 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -0.903 11.966 -3.186 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -0.477 10.481 -2.359 1.00 0.00 H new ATOM 567 N PRO A 42 -5.866 10.318 -3.420 1.00 0.00 N ATOM 568 CA PRO A 42 -7.077 10.973 -3.924 1.00 0.00 C ATOM 569 C PRO A 42 -7.705 11.903 -2.891 1.00 0.00 C ATOM 570 O PRO A 42 -7.748 11.588 -1.702 1.00 0.00 O ATOM 571 CB PRO A 42 -8.013 9.801 -4.228 1.00 0.00 C ATOM 572 CG PRO A 42 -7.553 8.705 -3.331 1.00 0.00 C ATOM 573 CD PRO A 42 -6.065 8.876 -3.198 1.00 0.00 C ATOM 0 HA PRO A 42 -6.870 11.606 -4.787 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -9.052 10.063 -4.031 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -7.951 9.507 -5.276 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -8.041 8.766 -2.358 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -7.798 7.729 -3.750 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -5.712 8.568 -2.214 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -5.525 8.278 -3.932 1.00 0.00 H new ATOM 581 N VAL A 43 -8.193 13.050 -3.353 1.00 0.00 N ATOM 582 CA VAL A 43 -8.821 14.025 -2.470 1.00 0.00 C ATOM 583 C VAL A 43 -9.791 13.349 -1.507 1.00 0.00 C ATOM 584 O VAL A 43 -10.552 12.462 -1.896 1.00 0.00 O ATOM 585 CB VAL A 43 -9.575 15.103 -3.270 1.00 0.00 C ATOM 586 CG1 VAL A 43 -10.283 16.068 -2.331 1.00 0.00 C ATOM 587 CG2 VAL A 43 -8.621 15.847 -4.192 1.00 0.00 C ATOM 0 H VAL A 43 -8.165 13.327 -4.334 1.00 0.00 H new ATOM 0 HA VAL A 43 -8.021 14.499 -1.902 1.00 0.00 H new ATOM 0 HB VAL A 43 -10.330 14.613 -3.885 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -10.810 16.823 -2.915 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -10.997 15.520 -1.717 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -9.549 16.554 -1.688 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -9.171 16.605 -4.750 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -7.842 16.326 -3.599 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -8.165 15.143 -4.889 1.00 0.00 H new ATOM 597 N LEU A 44 -9.760 13.775 -0.249 1.00 0.00 N ATOM 598 CA LEU A 44 -10.638 13.212 0.771 1.00 0.00 C ATOM 599 C LEU A 44 -11.675 14.235 1.222 1.00 0.00 C ATOM 600 O LEU A 44 -11.341 15.379 1.534 1.00 0.00 O ATOM 601 CB LEU A 44 -9.818 12.736 1.971 1.00 0.00 C ATOM 602 CG LEU A 44 -8.939 11.507 1.738 1.00 0.00 C ATOM 603 CD1 LEU A 44 -8.113 11.199 2.977 1.00 0.00 C ATOM 604 CD2 LEU A 44 -9.791 10.306 1.352 1.00 0.00 C ATOM 0 H LEU A 44 -9.137 14.508 0.089 1.00 0.00 H new ATOM 0 HA LEU A 44 -11.161 12.361 0.336 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -9.180 13.557 2.299 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -10.503 12.518 2.790 1.00 0.00 H new ATOM 0 HG LEU A 44 -8.257 11.723 0.915 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -7.494 10.321 2.792 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -7.474 12.051 3.210 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -8.778 11.003 3.818 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -9.148 9.441 1.190 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -10.497 10.088 2.153 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -10.338 10.528 0.436 1.00 0.00 H new ATOM 616 N THR A 45 -12.937 13.817 1.257 1.00 0.00 N ATOM 617 CA THR A 45 -14.022 14.696 1.671 1.00 0.00 C ATOM 618 C THR A 45 -13.584 15.614 2.807 1.00 0.00 C ATOM 619 O THR A 45 -12.636 15.327 3.538 1.00 0.00 O ATOM 620 CB THR A 45 -15.256 13.891 2.123 1.00 0.00 C ATOM 621 OG1 THR A 45 -14.871 12.907 3.089 1.00 0.00 O ATOM 622 CG2 THR A 45 -15.923 13.212 0.937 1.00 0.00 C ATOM 0 H THR A 45 -13.232 12.874 1.003 1.00 0.00 H new ATOM 0 HA THR A 45 -14.288 15.299 0.803 1.00 0.00 H new ATOM 0 HB THR A 45 -15.969 14.582 2.573 1.00 0.00 H new ATOM 0 HG1 THR A 45 -15.304 13.103 3.946 1.00 0.00 H new ATOM 0 HG21 THR A 45 -16.791 12.650 1.281 1.00 0.00 H new ATOM 0 HG22 THR A 45 -16.241 13.966 0.217 1.00 0.00 H new ATOM 0 HG23 THR A 45 -15.216 12.532 0.462 1.00 0.00 H new ATOM 630 N PRO A 46 -14.290 16.744 2.961 1.00 0.00 N ATOM 631 CA PRO A 46 -13.992 17.726 4.008 1.00 0.00 C ATOM 632 C PRO A 46 -14.330 17.208 5.402 1.00 0.00 C ATOM 633 O PRO A 46 -14.406 17.978 6.360 1.00 0.00 O ATOM 634 CB PRO A 46 -14.888 18.913 3.646 1.00 0.00 C ATOM 635 CG PRO A 46 -16.015 18.316 2.877 1.00 0.00 C ATOM 636 CD PRO A 46 -15.433 17.150 2.127 1.00 0.00 C ATOM 0 HA PRO A 46 -12.931 17.972 4.046 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -15.246 19.426 4.539 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -14.348 19.649 3.050 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -16.814 17.991 3.544 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -16.448 19.044 2.191 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -16.156 16.342 2.016 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -15.117 17.435 1.124 1.00 0.00 H new ATOM 644 N THR A 47 -14.533 15.899 5.509 1.00 0.00 N ATOM 645 CA THR A 47 -14.863 15.279 6.786 1.00 0.00 C ATOM 646 C THR A 47 -13.920 14.122 7.096 1.00 0.00 C ATOM 647 O THR A 47 -13.885 13.621 8.219 1.00 0.00 O ATOM 648 CB THR A 47 -16.314 14.761 6.799 1.00 0.00 C ATOM 649 OG1 THR A 47 -16.505 13.811 5.744 1.00 0.00 O ATOM 650 CG2 THR A 47 -17.300 15.908 6.640 1.00 0.00 C ATOM 0 H THR A 47 -14.475 15.247 4.726 1.00 0.00 H new ATOM 0 HA THR A 47 -14.752 16.049 7.550 1.00 0.00 H new ATOM 0 HB THR A 47 -16.495 14.278 7.759 1.00 0.00 H new ATOM 0 HG1 THR A 47 -17.429 13.486 5.760 1.00 0.00 H new ATOM 0 HG21 THR A 47 -18.318 15.517 6.652 1.00 0.00 H new ATOM 0 HG22 THR A 47 -17.172 16.614 7.461 1.00 0.00 H new ATOM 0 HG23 THR A 47 -17.118 16.416 5.693 1.00 0.00 H new ATOM 658 N GLY A 48 -13.155 13.702 6.092 1.00 0.00 N ATOM 659 CA GLY A 48 -12.221 12.608 6.279 1.00 0.00 C ATOM 660 C GLY A 48 -12.726 11.307 5.686 1.00 0.00 C ATOM 661 O GLY A 48 -12.902 10.318 6.399 1.00 0.00 O ATOM 0 H GLY A 48 -13.166 14.100 5.153 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -11.267 12.867 5.820 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -12.036 12.470 7.344 1.00 0.00 H new ATOM 665 N LEU A 49 -12.962 11.307 4.379 1.00 0.00 N ATOM 666 CA LEU A 49 -13.451 10.118 3.690 1.00 0.00 C ATOM 667 C LEU A 49 -13.111 10.171 2.204 1.00 0.00 C ATOM 668 O LEU A 49 -13.274 11.205 1.556 1.00 0.00 O ATOM 669 CB LEU A 49 -14.964 9.985 3.874 1.00 0.00 C ATOM 670 CG LEU A 49 -15.482 10.137 5.304 1.00 0.00 C ATOM 671 CD1 LEU A 49 -16.992 10.321 5.308 1.00 0.00 C ATOM 672 CD2 LEU A 49 -15.087 8.933 6.146 1.00 0.00 C ATOM 0 H LEU A 49 -12.823 12.117 3.775 1.00 0.00 H new ATOM 0 HA LEU A 49 -12.960 9.248 4.125 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -15.453 10.733 3.250 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -15.271 9.008 3.500 1.00 0.00 H new ATOM 0 HG LEU A 49 -15.027 11.025 5.742 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -17.343 10.428 6.334 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -17.251 11.215 4.741 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -17.466 9.452 4.851 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -15.464 9.059 7.161 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -15.512 8.029 5.710 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -14.001 8.847 6.171 1.00 0.00 H new ATOM 684 N SER A 50 -12.639 9.049 1.670 1.00 0.00 N ATOM 685 CA SER A 50 -12.274 8.968 0.260 1.00 0.00 C ATOM 686 C SER A 50 -13.504 8.711 -0.605 1.00 0.00 C ATOM 687 O SER A 50 -13.985 9.605 -1.300 1.00 0.00 O ATOM 688 CB SER A 50 -11.242 7.860 0.042 1.00 0.00 C ATOM 689 OG SER A 50 -10.906 7.739 -1.329 1.00 0.00 O ATOM 0 H SER A 50 -12.500 8.184 2.192 1.00 0.00 H new ATOM 0 HA SER A 50 -11.838 9.923 -0.033 1.00 0.00 H new ATOM 0 HB2 SER A 50 -10.345 8.075 0.622 1.00 0.00 H new ATOM 0 HB3 SER A 50 -11.638 6.913 0.408 1.00 0.00 H new ATOM 0 HG SER A 50 -10.244 7.026 -1.442 1.00 0.00 H new ATOM 695 N ASN A 51 -14.007 7.481 -0.558 1.00 0.00 N ATOM 696 CA ASN A 51 -15.180 7.105 -1.338 1.00 0.00 C ATOM 697 C ASN A 51 -16.339 6.719 -0.424 1.00 0.00 C ATOM 698 O ASN A 51 -17.186 5.904 -0.789 1.00 0.00 O ATOM 699 CB ASN A 51 -14.844 5.942 -2.274 1.00 0.00 C ATOM 700 CG ASN A 51 -16.013 5.557 -3.160 1.00 0.00 C ATOM 701 OD1 ASN A 51 -17.034 6.245 -3.194 1.00 0.00 O ATOM 702 ND2 ASN A 51 -15.869 4.452 -3.882 1.00 0.00 N ATOM 0 H ASN A 51 -13.620 6.729 0.012 1.00 0.00 H new ATOM 0 HA ASN A 51 -15.482 7.966 -1.934 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -13.993 6.216 -2.898 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -14.540 5.079 -1.682 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -16.622 4.142 -4.496 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -15.005 3.913 -3.822 1.00 0.00 H new ATOM 709 N GLY A 52 -16.371 7.311 0.766 1.00 0.00 N ATOM 710 CA GLY A 52 -17.430 7.017 1.713 1.00 0.00 C ATOM 711 C GLY A 52 -16.928 6.265 2.930 1.00 0.00 C ATOM 712 O GLY A 52 -17.652 6.106 3.912 1.00 0.00 O ATOM 0 H GLY A 52 -15.682 7.989 1.091 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -17.896 7.949 2.033 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -18.202 6.427 1.218 1.00 0.00 H new ATOM 716 N ALA A 53 -15.685 5.801 2.865 1.00 0.00 N ATOM 717 CA ALA A 53 -15.087 5.062 3.970 1.00 0.00 C ATOM 718 C ALA A 53 -14.051 5.910 4.701 1.00 0.00 C ATOM 719 O ALA A 53 -13.577 6.916 4.175 1.00 0.00 O ATOM 720 CB ALA A 53 -14.454 3.774 3.463 1.00 0.00 C ATOM 0 H ALA A 53 -15.072 5.924 2.059 1.00 0.00 H new ATOM 0 HA ALA A 53 -15.878 4.812 4.677 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -14.011 3.232 4.299 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -15.217 3.154 2.992 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -13.679 4.012 2.734 1.00 0.00 H new ATOM 726 N ASN A 54 -13.706 5.498 5.916 1.00 0.00 N ATOM 727 CA ASN A 54 -12.728 6.221 6.720 1.00 0.00 C ATOM 728 C ASN A 54 -11.318 5.698 6.462 1.00 0.00 C ATOM 729 O ASN A 54 -10.901 4.695 7.043 1.00 0.00 O ATOM 730 CB ASN A 54 -13.066 6.097 8.207 1.00 0.00 C ATOM 731 CG ASN A 54 -13.985 7.204 8.685 1.00 0.00 C ATOM 732 OD1 ASN A 54 -15.157 7.258 8.312 1.00 0.00 O ATOM 733 ND2 ASN A 54 -13.456 8.096 9.515 1.00 0.00 N ATOM 0 H ASN A 54 -14.089 4.667 6.366 1.00 0.00 H new ATOM 0 HA ASN A 54 -12.765 7.272 6.433 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -13.538 5.132 8.390 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -12.145 6.117 8.789 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -14.026 8.864 9.869 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -12.480 8.013 9.798 1.00 0.00 H new ATOM 740 N VAL A 55 -10.588 6.383 5.588 1.00 0.00 N ATOM 741 CA VAL A 55 -9.225 5.989 5.254 1.00 0.00 C ATOM 742 C VAL A 55 -8.267 6.300 6.398 1.00 0.00 C ATOM 743 O VAL A 55 -8.084 7.459 6.773 1.00 0.00 O ATOM 744 CB VAL A 55 -8.732 6.698 3.979 1.00 0.00 C ATOM 745 CG1 VAL A 55 -7.312 6.267 3.643 1.00 0.00 C ATOM 746 CG2 VAL A 55 -9.672 6.419 2.816 1.00 0.00 C ATOM 0 H VAL A 55 -10.918 7.214 5.098 1.00 0.00 H new ATOM 0 HA VAL A 55 -9.241 4.913 5.079 1.00 0.00 H new ATOM 0 HB VAL A 55 -8.726 7.773 4.161 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -6.981 6.778 2.739 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -6.649 6.524 4.469 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -7.288 5.190 3.480 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -9.308 6.928 1.924 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -9.713 5.346 2.630 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -10.670 6.783 3.059 1.00 0.00 H new ATOM 756 N THR A 56 -7.656 5.257 6.952 1.00 0.00 N ATOM 757 CA THR A 56 -6.717 5.419 8.055 1.00 0.00 C ATOM 758 C THR A 56 -5.276 5.289 7.573 1.00 0.00 C ATOM 759 O THR A 56 -4.339 5.640 8.288 1.00 0.00 O ATOM 760 CB THR A 56 -6.971 4.382 9.165 1.00 0.00 C ATOM 761 OG1 THR A 56 -6.814 3.057 8.644 1.00 0.00 O ATOM 762 CG2 THR A 56 -8.368 4.542 9.746 1.00 0.00 C ATOM 0 H THR A 56 -7.795 4.291 6.655 1.00 0.00 H new ATOM 0 HA THR A 56 -6.873 6.419 8.460 1.00 0.00 H new ATOM 0 HB THR A 56 -6.243 4.548 9.959 1.00 0.00 H new ATOM 0 HG1 THR A 56 -6.976 2.404 9.357 1.00 0.00 H new ATOM 0 HG21 THR A 56 -8.524 3.799 10.528 1.00 0.00 H new ATOM 0 HG22 THR A 56 -8.474 5.541 10.169 1.00 0.00 H new ATOM 0 HG23 THR A 56 -9.108 4.401 8.958 1.00 0.00 H new ATOM 770 N GLY A 57 -5.107 4.782 6.356 1.00 0.00 N ATOM 771 CA GLY A 57 -3.777 4.616 5.799 1.00 0.00 C ATOM 772 C GLY A 57 -3.779 3.786 4.531 1.00 0.00 C ATOM 773 O GLY A 57 -4.837 3.496 3.972 1.00 0.00 O ATOM 0 H GLY A 57 -5.867 4.483 5.745 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -3.350 5.596 5.587 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -3.133 4.141 6.539 1.00 0.00 H new ATOM 777 N TYR A 58 -2.591 3.404 4.074 1.00 0.00 N ATOM 778 CA TYR A 58 -2.460 2.607 2.861 1.00 0.00 C ATOM 779 C TYR A 58 -1.736 1.295 3.147 1.00 0.00 C ATOM 780 O TYR A 58 -1.246 1.071 4.253 1.00 0.00 O ATOM 781 CB TYR A 58 -1.707 3.394 1.787 1.00 0.00 C ATOM 782 CG TYR A 58 -2.451 4.616 1.298 1.00 0.00 C ATOM 783 CD1 TYR A 58 -3.437 4.509 0.325 1.00 0.00 C ATOM 784 CD2 TYR A 58 -2.168 5.877 1.808 1.00 0.00 C ATOM 785 CE1 TYR A 58 -4.120 5.623 -0.126 1.00 0.00 C ATOM 786 CE2 TYR A 58 -2.846 6.995 1.364 1.00 0.00 C ATOM 787 CZ TYR A 58 -3.821 6.863 0.398 1.00 0.00 C ATOM 788 OH TYR A 58 -4.498 7.976 -0.048 1.00 0.00 O ATOM 0 H TYR A 58 -1.706 3.634 4.526 1.00 0.00 H new ATOM 0 HA TYR A 58 -3.462 2.377 2.498 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -0.741 3.703 2.185 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -1.508 2.737 0.940 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -3.674 3.539 -0.086 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -1.405 5.985 2.565 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -4.883 5.523 -0.884 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -2.614 7.968 1.771 1.00 0.00 H new ATOM 0 HH TYR A 58 -4.536 8.645 0.668 1.00 0.00 H new ATOM 798 N GLY A 59 -1.671 0.429 2.139 1.00 0.00 N ATOM 799 CA GLY A 59 -1.005 -0.850 2.301 1.00 0.00 C ATOM 800 C GLY A 59 -0.307 -1.304 1.035 1.00 0.00 C ATOM 801 O GLY A 59 -0.890 -1.276 -0.049 1.00 0.00 O ATOM 0 H GLY A 59 -2.068 0.591 1.213 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -0.276 -0.777 3.108 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -1.736 -1.602 2.599 1.00 0.00 H new ATOM 805 N VAL A 60 0.947 -1.723 1.171 1.00 0.00 N ATOM 806 CA VAL A 60 1.727 -2.185 0.028 1.00 0.00 C ATOM 807 C VAL A 60 1.694 -3.705 -0.081 1.00 0.00 C ATOM 808 O VAL A 60 1.833 -4.413 0.916 1.00 0.00 O ATOM 809 CB VAL A 60 3.192 -1.720 0.124 1.00 0.00 C ATOM 810 CG1 VAL A 60 3.908 -1.935 -1.201 1.00 0.00 C ATOM 811 CG2 VAL A 60 3.261 -0.260 0.546 1.00 0.00 C ATOM 0 H VAL A 60 1.445 -1.752 2.061 1.00 0.00 H new ATOM 0 HA VAL A 60 1.273 -1.750 -0.862 1.00 0.00 H new ATOM 0 HB VAL A 60 3.696 -2.318 0.883 1.00 0.00 H new ATOM 0 HG11 VAL A 60 4.942 -1.601 -1.114 1.00 0.00 H new ATOM 0 HG12 VAL A 60 3.889 -2.994 -1.457 1.00 0.00 H new ATOM 0 HG13 VAL A 60 3.406 -1.364 -1.982 1.00 0.00 H new ATOM 0 HG21 VAL A 60 4.304 0.052 0.609 1.00 0.00 H new ATOM 0 HG22 VAL A 60 2.742 0.356 -0.188 1.00 0.00 H new ATOM 0 HG23 VAL A 60 2.787 -0.140 1.520 1.00 0.00 H new ATOM 821 N TYR A 61 1.508 -4.201 -1.300 1.00 0.00 N ATOM 822 CA TYR A 61 1.455 -5.638 -1.540 1.00 0.00 C ATOM 823 C TYR A 61 2.325 -6.023 -2.732 1.00 0.00 C ATOM 824 O TYR A 61 2.464 -5.259 -3.686 1.00 0.00 O ATOM 825 CB TYR A 61 0.011 -6.082 -1.783 1.00 0.00 C ATOM 826 CG TYR A 61 -0.881 -5.928 -0.572 1.00 0.00 C ATOM 827 CD1 TYR A 61 -1.442 -4.698 -0.249 1.00 0.00 C ATOM 828 CD2 TYR A 61 -1.165 -7.013 0.249 1.00 0.00 C ATOM 829 CE1 TYR A 61 -2.257 -4.553 0.856 1.00 0.00 C ATOM 830 CE2 TYR A 61 -1.981 -6.878 1.355 1.00 0.00 C ATOM 831 CZ TYR A 61 -2.524 -5.646 1.655 1.00 0.00 C ATOM 832 OH TYR A 61 -3.337 -5.506 2.757 1.00 0.00 O ATOM 0 H TYR A 61 1.392 -3.629 -2.136 1.00 0.00 H new ATOM 0 HA TYR A 61 1.840 -6.144 -0.654 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -0.405 -5.502 -2.607 1.00 0.00 H new ATOM 0 HB3 TYR A 61 0.008 -7.126 -2.095 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -1.237 -3.841 -0.873 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -0.740 -7.979 0.018 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -2.683 -3.590 1.094 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -2.193 -7.732 1.981 1.00 0.00 H new ATOM 0 HH TYR A 61 -3.893 -4.706 2.653 1.00 0.00 H new ATOM 842 N ALA A 62 2.908 -7.216 -2.670 1.00 0.00 N ATOM 843 CA ALA A 62 3.762 -7.706 -3.744 1.00 0.00 C ATOM 844 C ALA A 62 3.081 -8.829 -4.518 1.00 0.00 C ATOM 845 O ALA A 62 2.618 -8.632 -5.642 1.00 0.00 O ATOM 846 CB ALA A 62 5.095 -8.181 -3.184 1.00 0.00 C ATOM 0 H ALA A 62 2.804 -7.861 -1.887 1.00 0.00 H new ATOM 0 HA ALA A 62 3.943 -6.882 -4.435 1.00 0.00 H new ATOM 0 HB1 ALA A 62 5.723 -8.544 -3.998 1.00 0.00 H new ATOM 0 HB2 ALA A 62 5.595 -7.352 -2.682 1.00 0.00 H new ATOM 0 HB3 ALA A 62 4.923 -8.987 -2.470 1.00 0.00 H new ATOM 852 N LYS A 63 3.024 -10.010 -3.911 1.00 0.00 N ATOM 853 CA LYS A 63 2.399 -11.166 -4.542 1.00 0.00 C ATOM 854 C LYS A 63 1.214 -11.661 -3.719 1.00 0.00 C ATOM 855 O LYS A 63 1.008 -12.865 -3.570 1.00 0.00 O ATOM 856 CB LYS A 63 3.420 -12.293 -4.714 1.00 0.00 C ATOM 857 CG LYS A 63 4.624 -11.900 -5.552 1.00 0.00 C ATOM 858 CD LYS A 63 4.400 -12.197 -7.025 1.00 0.00 C ATOM 859 CE LYS A 63 3.782 -11.009 -7.746 1.00 0.00 C ATOM 860 NZ LYS A 63 3.717 -11.226 -9.218 1.00 0.00 N ATOM 0 H LYS A 63 3.404 -10.191 -2.982 1.00 0.00 H new ATOM 0 HA LYS A 63 2.035 -10.860 -5.523 1.00 0.00 H new ATOM 0 HB2 LYS A 63 3.762 -12.615 -3.731 1.00 0.00 H new ATOM 0 HB3 LYS A 63 2.929 -13.149 -5.177 1.00 0.00 H new ATOM 0 HG2 LYS A 63 4.828 -10.837 -5.421 1.00 0.00 H new ATOM 0 HG3 LYS A 63 5.504 -12.439 -5.201 1.00 0.00 H new ATOM 0 HD2 LYS A 63 5.350 -12.454 -7.494 1.00 0.00 H new ATOM 0 HD3 LYS A 63 3.749 -13.065 -7.127 1.00 0.00 H new ATOM 0 HE2 LYS A 63 2.778 -10.832 -7.360 1.00 0.00 H new ATOM 0 HE3 LYS A 63 4.366 -10.113 -7.536 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 3.290 -10.394 -9.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 4.677 -11.369 -9.591 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 3.138 -12.066 -9.420 1.00 0.00 H new ATOM 874 N GLY A 64 0.436 -10.723 -3.187 1.00 0.00 N ATOM 875 CA GLY A 64 -0.720 -11.084 -2.387 1.00 0.00 C ATOM 876 C GLY A 64 -0.403 -11.147 -0.906 1.00 0.00 C ATOM 877 O GLY A 64 -1.222 -11.603 -0.108 1.00 0.00 O ATOM 0 H GLY A 64 0.586 -9.720 -3.296 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -1.515 -10.358 -2.555 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -1.098 -12.052 -2.716 1.00 0.00 H new ATOM 881 N GLN A 65 0.789 -10.689 -0.537 1.00 0.00 N ATOM 882 CA GLN A 65 1.213 -10.698 0.858 1.00 0.00 C ATOM 883 C GLN A 65 1.599 -9.297 1.318 1.00 0.00 C ATOM 884 O GLN A 65 2.584 -8.727 0.847 1.00 0.00 O ATOM 885 CB GLN A 65 2.391 -11.654 1.049 1.00 0.00 C ATOM 886 CG GLN A 65 2.014 -13.120 0.913 1.00 0.00 C ATOM 887 CD GLN A 65 1.627 -13.494 -0.504 1.00 0.00 C ATOM 888 OE1 GLN A 65 0.562 -14.067 -0.738 1.00 0.00 O ATOM 889 NE2 GLN A 65 2.490 -13.169 -1.459 1.00 0.00 N ATOM 0 H GLN A 65 1.478 -10.307 -1.185 1.00 0.00 H new ATOM 0 HA GLN A 65 0.375 -11.041 1.464 1.00 0.00 H new ATOM 0 HB2 GLN A 65 3.163 -11.417 0.317 1.00 0.00 H new ATOM 0 HB3 GLN A 65 2.825 -11.489 2.035 1.00 0.00 H new ATOM 0 HG2 GLN A 65 2.853 -13.738 1.231 1.00 0.00 H new ATOM 0 HG3 GLN A 65 1.183 -13.341 1.583 1.00 0.00 H new ATOM 0 HE21 GLN A 65 3.361 -12.695 -1.220 1.00 0.00 H new ATOM 0 HE22 GLN A 65 2.282 -13.394 -2.432 1.00 0.00 H new ATOM 898 N ARG A 66 0.818 -8.746 2.242 1.00 0.00 N ATOM 899 CA ARG A 66 1.078 -7.410 2.765 1.00 0.00 C ATOM 900 C ARG A 66 2.523 -7.283 3.237 1.00 0.00 C ATOM 901 O ARG A 66 2.924 -7.908 4.219 1.00 0.00 O ATOM 902 CB ARG A 66 0.124 -7.096 3.918 1.00 0.00 C ATOM 903 CG ARG A 66 -0.132 -5.610 4.110 1.00 0.00 C ATOM 904 CD ARG A 66 -0.446 -5.282 5.561 1.00 0.00 C ATOM 905 NE ARG A 66 -1.739 -5.818 5.976 1.00 0.00 N ATOM 906 CZ ARG A 66 -2.891 -5.179 5.800 1.00 0.00 C ATOM 907 NH1 ARG A 66 -2.909 -3.987 5.219 1.00 0.00 N ATOM 908 NH2 ARG A 66 -4.027 -5.732 6.204 1.00 0.00 N ATOM 0 H ARG A 66 0.000 -9.204 2.644 1.00 0.00 H new ATOM 0 HA ARG A 66 0.912 -6.693 1.960 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -0.826 -7.600 3.739 1.00 0.00 H new ATOM 0 HB3 ARG A 66 0.534 -7.507 4.840 1.00 0.00 H new ATOM 0 HG2 ARG A 66 0.743 -5.045 3.789 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -0.963 -5.298 3.477 1.00 0.00 H new ATOM 0 HD2 ARG A 66 0.337 -5.687 6.202 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -0.441 -4.201 5.697 1.00 0.00 H new ATOM 0 HE ARG A 66 -1.759 -6.733 6.426 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -2.038 -3.559 4.906 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -3.794 -3.498 5.085 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -4.017 -6.649 6.651 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -4.910 -5.240 6.068 1.00 0.00 H new ATOM 922 N VAL A 67 3.302 -6.469 2.531 1.00 0.00 N ATOM 923 CA VAL A 67 4.702 -6.259 2.878 1.00 0.00 C ATOM 924 C VAL A 67 4.871 -5.026 3.759 1.00 0.00 C ATOM 925 O VAL A 67 5.672 -5.024 4.693 1.00 0.00 O ATOM 926 CB VAL A 67 5.575 -6.100 1.618 1.00 0.00 C ATOM 927 CG1 VAL A 67 5.684 -7.421 0.873 1.00 0.00 C ATOM 928 CG2 VAL A 67 5.011 -5.013 0.714 1.00 0.00 C ATOM 0 H VAL A 67 2.987 -5.944 1.715 1.00 0.00 H new ATOM 0 HA VAL A 67 5.028 -7.142 3.428 1.00 0.00 H new ATOM 0 HB VAL A 67 6.577 -5.801 1.926 1.00 0.00 H new ATOM 0 HG11 VAL A 67 6.304 -7.289 -0.014 1.00 0.00 H new ATOM 0 HG12 VAL A 67 6.136 -8.169 1.524 1.00 0.00 H new ATOM 0 HG13 VAL A 67 4.690 -7.753 0.574 1.00 0.00 H new ATOM 0 HG21 VAL A 67 5.639 -4.914 -0.171 1.00 0.00 H new ATOM 0 HG22 VAL A 67 3.998 -5.280 0.412 1.00 0.00 H new ATOM 0 HG23 VAL A 67 4.991 -4.066 1.253 1.00 0.00 H new ATOM 938 N ALA A 68 4.111 -3.979 3.455 1.00 0.00 N ATOM 939 CA ALA A 68 4.175 -2.741 4.221 1.00 0.00 C ATOM 940 C ALA A 68 2.791 -2.119 4.374 1.00 0.00 C ATOM 941 O ALA A 68 1.864 -2.457 3.639 1.00 0.00 O ATOM 942 CB ALA A 68 5.127 -1.758 3.556 1.00 0.00 C ATOM 0 H ALA A 68 3.444 -3.964 2.684 1.00 0.00 H new ATOM 0 HA ALA A 68 4.551 -2.977 5.217 1.00 0.00 H new ATOM 0 HB1 ALA A 68 5.165 -0.838 4.139 1.00 0.00 H new ATOM 0 HB2 ALA A 68 6.124 -2.196 3.503 1.00 0.00 H new ATOM 0 HB3 ALA A 68 4.775 -1.535 2.549 1.00 0.00 H new ATOM 948 N GLU A 69 2.660 -1.209 5.334 1.00 0.00 N ATOM 949 CA GLU A 69 1.388 -0.541 5.584 1.00 0.00 C ATOM 950 C GLU A 69 1.600 0.774 6.328 1.00 0.00 C ATOM 951 O GLU A 69 2.133 0.793 7.438 1.00 0.00 O ATOM 952 CB GLU A 69 0.458 -1.451 6.389 1.00 0.00 C ATOM 953 CG GLU A 69 0.867 -1.604 7.845 1.00 0.00 C ATOM 954 CD GLU A 69 0.435 -2.932 8.436 1.00 0.00 C ATOM 955 OE1 GLU A 69 -0.783 -3.120 8.643 1.00 0.00 O ATOM 956 OE2 GLU A 69 1.313 -3.782 8.692 1.00 0.00 O ATOM 0 H GLU A 69 3.418 -0.918 5.951 1.00 0.00 H new ATOM 0 HA GLU A 69 0.927 -0.323 4.621 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -0.555 -1.051 6.345 1.00 0.00 H new ATOM 0 HB3 GLU A 69 0.433 -2.436 5.922 1.00 0.00 H new ATOM 0 HG2 GLU A 69 1.950 -1.510 7.926 1.00 0.00 H new ATOM 0 HG3 GLU A 69 0.432 -0.792 8.428 1.00 0.00 H new ATOM 963 N VAL A 70 1.181 1.873 5.709 1.00 0.00 N ATOM 964 CA VAL A 70 1.324 3.192 6.311 1.00 0.00 C ATOM 965 C VAL A 70 0.000 3.679 6.890 1.00 0.00 C ATOM 966 O VAL A 70 -1.002 3.774 6.181 1.00 0.00 O ATOM 967 CB VAL A 70 1.834 4.224 5.288 1.00 0.00 C ATOM 968 CG1 VAL A 70 0.851 4.365 4.136 1.00 0.00 C ATOM 969 CG2 VAL A 70 2.075 5.567 5.961 1.00 0.00 C ATOM 0 H VAL A 70 0.739 1.875 4.790 1.00 0.00 H new ATOM 0 HA VAL A 70 2.055 3.095 7.114 1.00 0.00 H new ATOM 0 HB VAL A 70 2.782 3.870 4.884 1.00 0.00 H new ATOM 0 HG11 VAL A 70 1.228 5.098 3.423 1.00 0.00 H new ATOM 0 HG12 VAL A 70 0.733 3.402 3.638 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -0.114 4.695 4.520 1.00 0.00 H new ATOM 0 HG21 VAL A 70 2.435 6.284 5.223 1.00 0.00 H new ATOM 0 HG22 VAL A 70 1.143 5.929 6.394 1.00 0.00 H new ATOM 0 HG23 VAL A 70 2.820 5.451 6.748 1.00 0.00 H new ATOM 979 N ILE A 71 0.003 3.986 8.183 1.00 0.00 N ATOM 980 CA ILE A 71 -1.197 4.464 8.857 1.00 0.00 C ATOM 981 C ILE A 71 -1.431 5.945 8.578 1.00 0.00 C ATOM 982 O ILE A 71 -1.762 6.713 9.481 1.00 0.00 O ATOM 983 CB ILE A 71 -1.112 4.248 10.380 1.00 0.00 C ATOM 984 CG1 ILE A 71 -0.574 2.849 10.689 1.00 0.00 C ATOM 985 CG2 ILE A 71 -2.477 4.449 11.020 1.00 0.00 C ATOM 986 CD1 ILE A 71 -1.396 1.737 10.077 1.00 0.00 C ATOM 0 H ILE A 71 0.824 3.912 8.784 1.00 0.00 H new ATOM 0 HA ILE A 71 -2.032 3.885 8.462 1.00 0.00 H new ATOM 0 HB ILE A 71 -0.424 4.982 10.799 1.00 0.00 H new ATOM 0 HG12 ILE A 71 0.451 2.774 10.326 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -0.540 2.712 11.770 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -2.401 4.293 12.096 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -2.825 5.463 10.824 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -3.185 3.735 10.599 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -0.956 0.774 10.337 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -2.416 1.786 10.459 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -1.409 1.849 8.993 1.00 0.00 H new ATOM 998 N PHE A 72 -1.259 6.338 7.320 1.00 0.00 N ATOM 999 CA PHE A 72 -1.453 7.727 6.921 1.00 0.00 C ATOM 1000 C PHE A 72 -2.305 7.817 5.658 1.00 0.00 C ATOM 1001 O PHE A 72 -1.919 7.353 4.585 1.00 0.00 O ATOM 1002 CB PHE A 72 -0.102 8.406 6.687 1.00 0.00 C ATOM 1003 CG PHE A 72 -0.160 9.904 6.772 1.00 0.00 C ATOM 1004 CD1 PHE A 72 -0.835 10.527 7.810 1.00 0.00 C ATOM 1005 CD2 PHE A 72 0.459 10.691 5.814 1.00 0.00 C ATOM 1006 CE1 PHE A 72 -0.891 11.905 7.890 1.00 0.00 C ATOM 1007 CE2 PHE A 72 0.406 12.070 5.889 1.00 0.00 C ATOM 1008 CZ PHE A 72 -0.269 12.678 6.929 1.00 0.00 C ATOM 0 H PHE A 72 -0.986 5.715 6.560 1.00 0.00 H new ATOM 0 HA PHE A 72 -1.976 8.241 7.728 1.00 0.00 H new ATOM 0 HB2 PHE A 72 0.613 8.036 7.422 1.00 0.00 H new ATOM 0 HB3 PHE A 72 0.274 8.120 5.704 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -1.323 9.928 8.565 1.00 0.00 H new ATOM 0 HD2 PHE A 72 0.989 10.221 4.999 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -1.421 12.378 8.704 1.00 0.00 H new ATOM 0 HE2 PHE A 72 0.892 12.671 5.135 1.00 0.00 H new ATOM 0 HZ PHE A 72 -0.310 13.755 6.991 1.00 0.00 H new ATOM 1018 N PRO A 73 -3.492 8.427 5.788 1.00 0.00 N ATOM 1019 CA PRO A 73 -4.424 8.591 4.668 1.00 0.00 C ATOM 1020 C PRO A 73 -3.915 9.588 3.632 1.00 0.00 C ATOM 1021 O PRO A 73 -4.255 9.501 2.452 1.00 0.00 O ATOM 1022 CB PRO A 73 -5.695 9.120 5.339 1.00 0.00 C ATOM 1023 CG PRO A 73 -5.217 9.786 6.583 1.00 0.00 C ATOM 1024 CD PRO A 73 -4.016 9.003 7.037 1.00 0.00 C ATOM 0 HA PRO A 73 -4.570 7.660 4.120 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -6.222 9.821 4.692 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -6.390 8.311 5.565 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -4.955 10.827 6.392 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -5.994 9.788 7.348 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -3.280 9.643 7.524 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -4.289 8.228 7.753 1.00 0.00 H new ATOM 1032 N THR A 74 -3.097 10.535 4.081 1.00 0.00 N ATOM 1033 CA THR A 74 -2.542 11.548 3.192 1.00 0.00 C ATOM 1034 C THR A 74 -1.089 11.242 2.849 1.00 0.00 C ATOM 1035 O THR A 74 -0.318 12.140 2.511 1.00 0.00 O ATOM 1036 CB THR A 74 -2.624 12.952 3.821 1.00 0.00 C ATOM 1037 OG1 THR A 74 -2.177 12.907 5.181 1.00 0.00 O ATOM 1038 CG2 THR A 74 -4.047 13.487 3.767 1.00 0.00 C ATOM 0 H THR A 74 -2.804 10.621 5.054 1.00 0.00 H new ATOM 0 HA THR A 74 -3.139 11.530 2.280 1.00 0.00 H new ATOM 0 HB THR A 74 -1.980 13.620 3.249 1.00 0.00 H new ATOM 0 HG1 THR A 74 -1.262 13.254 5.236 1.00 0.00 H new ATOM 0 HG21 THR A 74 -4.080 14.479 4.217 1.00 0.00 H new ATOM 0 HG22 THR A 74 -4.374 13.548 2.729 1.00 0.00 H new ATOM 0 HG23 THR A 74 -4.709 12.817 4.317 1.00 0.00 H new ATOM 1046 N ALA A 75 -0.721 9.968 2.937 1.00 0.00 N ATOM 1047 CA ALA A 75 0.640 9.543 2.632 1.00 0.00 C ATOM 1048 C ALA A 75 0.858 9.438 1.127 1.00 0.00 C ATOM 1049 O ALA A 75 0.031 8.877 0.407 1.00 0.00 O ATOM 1050 CB ALA A 75 0.940 8.211 3.305 1.00 0.00 C ATOM 0 H ALA A 75 -1.346 9.212 3.217 1.00 0.00 H new ATOM 0 HA ALA A 75 1.325 10.297 3.020 1.00 0.00 H new ATOM 0 HB1 ALA A 75 1.959 7.905 3.069 1.00 0.00 H new ATOM 0 HB2 ALA A 75 0.834 8.317 4.385 1.00 0.00 H new ATOM 0 HB3 ALA A 75 0.242 7.456 2.944 1.00 0.00 H new ATOM 1056 N ASP A 76 1.976 9.980 0.657 1.00 0.00 N ATOM 1057 CA ASP A 76 2.303 9.947 -0.764 1.00 0.00 C ATOM 1058 C ASP A 76 3.540 9.091 -1.017 1.00 0.00 C ATOM 1059 O ASP A 76 4.051 9.037 -2.135 1.00 0.00 O ATOM 1060 CB ASP A 76 2.533 11.365 -1.289 1.00 0.00 C ATOM 1061 CG ASP A 76 3.724 12.038 -0.638 1.00 0.00 C ATOM 1062 OD1 ASP A 76 4.863 11.796 -1.089 1.00 0.00 O ATOM 1063 OD2 ASP A 76 3.518 12.808 0.324 1.00 0.00 O ATOM 0 H ASP A 76 2.671 10.447 1.239 1.00 0.00 H new ATOM 0 HA ASP A 76 1.461 9.503 -1.295 1.00 0.00 H new ATOM 0 HB2 ASP A 76 2.685 11.330 -2.368 1.00 0.00 H new ATOM 0 HB3 ASP A 76 1.640 11.964 -1.112 1.00 0.00 H new ATOM 1068 N SER A 77 4.017 8.426 0.030 1.00 0.00 N ATOM 1069 CA SER A 77 5.198 7.576 -0.077 1.00 0.00 C ATOM 1070 C SER A 77 5.418 6.787 1.210 1.00 0.00 C ATOM 1071 O SER A 77 5.293 7.324 2.311 1.00 0.00 O ATOM 1072 CB SER A 77 6.434 8.422 -0.388 1.00 0.00 C ATOM 1073 OG SER A 77 6.677 9.368 0.640 1.00 0.00 O ATOM 0 H SER A 77 3.604 8.459 0.962 1.00 0.00 H new ATOM 0 HA SER A 77 5.035 6.870 -0.891 1.00 0.00 H new ATOM 0 HB2 SER A 77 7.303 7.774 -0.503 1.00 0.00 H new ATOM 0 HB3 SER A 77 6.295 8.939 -1.337 1.00 0.00 H new ATOM 0 HG SER A 77 7.370 9.997 0.349 1.00 0.00 H new ATOM 1079 N THR A 78 5.746 5.507 1.063 1.00 0.00 N ATOM 1080 CA THR A 78 5.983 4.642 2.212 1.00 0.00 C ATOM 1081 C THR A 78 7.158 3.704 1.961 1.00 0.00 C ATOM 1082 O THR A 78 7.483 3.394 0.816 1.00 0.00 O ATOM 1083 CB THR A 78 4.735 3.804 2.551 1.00 0.00 C ATOM 1084 OG1 THR A 78 4.793 3.369 3.914 1.00 0.00 O ATOM 1085 CG2 THR A 78 4.628 2.597 1.632 1.00 0.00 C ATOM 0 H THR A 78 5.854 5.047 0.159 1.00 0.00 H new ATOM 0 HA THR A 78 6.215 5.293 3.055 1.00 0.00 H new ATOM 0 HB THR A 78 3.854 4.429 2.407 1.00 0.00 H new ATOM 0 HG1 THR A 78 4.325 2.513 4.004 1.00 0.00 H new ATOM 0 HG21 THR A 78 3.740 2.021 1.890 1.00 0.00 H new ATOM 0 HG22 THR A 78 4.555 2.933 0.598 1.00 0.00 H new ATOM 0 HG23 THR A 78 5.513 1.971 1.749 1.00 0.00 H new ATOM 1093 N ALA A 79 7.791 3.255 3.040 1.00 0.00 N ATOM 1094 CA ALA A 79 8.928 2.349 2.936 1.00 0.00 C ATOM 1095 C ALA A 79 8.473 0.894 2.921 1.00 0.00 C ATOM 1096 O ALA A 79 7.517 0.525 3.605 1.00 0.00 O ATOM 1097 CB ALA A 79 9.899 2.589 4.083 1.00 0.00 C ATOM 0 H ALA A 79 7.536 3.504 3.996 1.00 0.00 H new ATOM 0 HA ALA A 79 9.437 2.551 1.994 1.00 0.00 H new ATOM 0 HB1 ALA A 79 10.744 1.906 3.994 1.00 0.00 H new ATOM 0 HB2 ALA A 79 10.258 3.617 4.046 1.00 0.00 H new ATOM 0 HB3 ALA A 79 9.391 2.416 5.032 1.00 0.00 H new ATOM 1103 N VAL A 80 9.162 0.071 2.137 1.00 0.00 N ATOM 1104 CA VAL A 80 8.828 -1.344 2.034 1.00 0.00 C ATOM 1105 C VAL A 80 10.086 -2.202 1.962 1.00 0.00 C ATOM 1106 O VAL A 80 11.047 -1.855 1.276 1.00 0.00 O ATOM 1107 CB VAL A 80 7.956 -1.626 0.795 1.00 0.00 C ATOM 1108 CG1 VAL A 80 7.660 -3.114 0.678 1.00 0.00 C ATOM 1109 CG2 VAL A 80 6.667 -0.821 0.857 1.00 0.00 C ATOM 0 H VAL A 80 9.955 0.360 1.564 1.00 0.00 H new ATOM 0 HA VAL A 80 8.266 -1.603 2.932 1.00 0.00 H new ATOM 0 HB VAL A 80 8.507 -1.319 -0.094 1.00 0.00 H new ATOM 0 HG11 VAL A 80 7.043 -3.294 -0.202 1.00 0.00 H new ATOM 0 HG12 VAL A 80 8.596 -3.665 0.584 1.00 0.00 H new ATOM 0 HG13 VAL A 80 7.129 -3.450 1.568 1.00 0.00 H new ATOM 0 HG21 VAL A 80 6.063 -1.032 -0.026 1.00 0.00 H new ATOM 0 HG22 VAL A 80 6.109 -1.096 1.752 1.00 0.00 H new ATOM 0 HG23 VAL A 80 6.903 0.243 0.889 1.00 0.00 H new ATOM 1119 N GLU A 81 10.072 -3.325 2.674 1.00 0.00 N ATOM 1120 CA GLU A 81 11.213 -4.232 2.691 1.00 0.00 C ATOM 1121 C GLU A 81 11.367 -4.937 1.346 1.00 0.00 C ATOM 1122 O GLU A 81 10.404 -5.477 0.801 1.00 0.00 O ATOM 1123 CB GLU A 81 11.053 -5.267 3.806 1.00 0.00 C ATOM 1124 CG GLU A 81 11.613 -4.812 5.144 1.00 0.00 C ATOM 1125 CD GLU A 81 10.915 -5.465 6.321 1.00 0.00 C ATOM 1126 OE1 GLU A 81 9.668 -5.540 6.304 1.00 0.00 O ATOM 1127 OE2 GLU A 81 11.614 -5.901 7.258 1.00 0.00 O ATOM 0 H GLU A 81 9.284 -3.628 3.246 1.00 0.00 H new ATOM 0 HA GLU A 81 12.111 -3.643 2.878 1.00 0.00 H new ATOM 0 HB2 GLU A 81 9.995 -5.500 3.925 1.00 0.00 H new ATOM 0 HB3 GLU A 81 11.551 -6.190 3.508 1.00 0.00 H new ATOM 0 HG2 GLU A 81 12.678 -5.042 5.185 1.00 0.00 H new ATOM 0 HG3 GLU A 81 11.517 -3.729 5.225 1.00 0.00 H new ATOM 1134 N LEU A 82 12.585 -4.927 0.816 1.00 0.00 N ATOM 1135 CA LEU A 82 12.867 -5.565 -0.465 1.00 0.00 C ATOM 1136 C LEU A 82 12.980 -7.078 -0.307 1.00 0.00 C ATOM 1137 O LEU A 82 12.647 -7.834 -1.220 1.00 0.00 O ATOM 1138 CB LEU A 82 14.160 -5.005 -1.062 1.00 0.00 C ATOM 1139 CG LEU A 82 14.066 -3.608 -1.676 1.00 0.00 C ATOM 1140 CD1 LEU A 82 15.390 -3.214 -2.311 1.00 0.00 C ATOM 1141 CD2 LEU A 82 12.942 -3.550 -2.701 1.00 0.00 C ATOM 0 H LEU A 82 13.393 -4.484 1.253 1.00 0.00 H new ATOM 0 HA LEU A 82 12.039 -5.350 -1.140 1.00 0.00 H new ATOM 0 HB2 LEU A 82 14.919 -4.986 -0.280 1.00 0.00 H new ATOM 0 HB3 LEU A 82 14.511 -5.695 -1.830 1.00 0.00 H new ATOM 0 HG LEU A 82 13.842 -2.897 -0.881 1.00 0.00 H new ATOM 0 HD11 LEU A 82 15.304 -2.217 -2.743 1.00 0.00 H new ATOM 0 HD12 LEU A 82 16.172 -3.214 -1.552 1.00 0.00 H new ATOM 0 HD13 LEU A 82 15.645 -3.928 -3.094 1.00 0.00 H new ATOM 0 HD21 LEU A 82 12.890 -2.548 -3.128 1.00 0.00 H new ATOM 0 HD22 LEU A 82 13.135 -4.273 -3.494 1.00 0.00 H new ATOM 0 HD23 LEU A 82 11.995 -3.788 -2.216 1.00 0.00 H new ATOM 1153 N VAL A 83 13.449 -7.513 0.858 1.00 0.00 N ATOM 1154 CA VAL A 83 13.603 -8.936 1.137 1.00 0.00 C ATOM 1155 C VAL A 83 12.276 -9.671 0.986 1.00 0.00 C ATOM 1156 O VAL A 83 12.234 -10.805 0.507 1.00 0.00 O ATOM 1157 CB VAL A 83 14.150 -9.173 2.557 1.00 0.00 C ATOM 1158 CG1 VAL A 83 13.028 -9.099 3.581 1.00 0.00 C ATOM 1159 CG2 VAL A 83 14.866 -10.513 2.634 1.00 0.00 C ATOM 0 H VAL A 83 13.729 -6.900 1.624 1.00 0.00 H new ATOM 0 HA VAL A 83 14.316 -9.326 0.411 1.00 0.00 H new ATOM 0 HB VAL A 83 14.870 -8.388 2.786 1.00 0.00 H new ATOM 0 HG11 VAL A 83 13.434 -9.269 4.578 1.00 0.00 H new ATOM 0 HG12 VAL A 83 12.564 -8.114 3.541 1.00 0.00 H new ATOM 0 HG13 VAL A 83 12.281 -9.861 3.358 1.00 0.00 H new ATOM 0 HG21 VAL A 83 15.246 -10.665 3.644 1.00 0.00 H new ATOM 0 HG22 VAL A 83 14.169 -11.313 2.385 1.00 0.00 H new ATOM 0 HG23 VAL A 83 15.697 -10.523 1.928 1.00 0.00 H new ATOM 1169 N ARG A 84 11.194 -9.019 1.396 1.00 0.00 N ATOM 1170 CA ARG A 84 9.865 -9.612 1.307 1.00 0.00 C ATOM 1171 C ARG A 84 9.500 -9.913 -0.144 1.00 0.00 C ATOM 1172 O ARG A 84 8.703 -10.810 -0.421 1.00 0.00 O ATOM 1173 CB ARG A 84 8.823 -8.675 1.922 1.00 0.00 C ATOM 1174 CG ARG A 84 8.918 -8.567 3.435 1.00 0.00 C ATOM 1175 CD ARG A 84 7.623 -8.046 4.039 1.00 0.00 C ATOM 1176 NE ARG A 84 6.673 -9.123 4.308 1.00 0.00 N ATOM 1177 CZ ARG A 84 6.713 -9.883 5.396 1.00 0.00 C ATOM 1178 NH1 ARG A 84 7.651 -9.686 6.313 1.00 0.00 N ATOM 1179 NH2 ARG A 84 5.813 -10.842 5.570 1.00 0.00 N ATOM 0 H ARG A 84 11.211 -8.080 1.793 1.00 0.00 H new ATOM 0 HA ARG A 84 9.875 -10.549 1.863 1.00 0.00 H new ATOM 0 HB2 ARG A 84 8.938 -7.682 1.487 1.00 0.00 H new ATOM 0 HB3 ARG A 84 7.827 -9.027 1.653 1.00 0.00 H new ATOM 0 HG2 ARG A 84 9.150 -9.545 3.857 1.00 0.00 H new ATOM 0 HG3 ARG A 84 9.739 -7.902 3.703 1.00 0.00 H new ATOM 0 HD2 ARG A 84 7.843 -7.516 4.966 1.00 0.00 H new ATOM 0 HD3 ARG A 84 7.170 -7.324 3.359 1.00 0.00 H new ATOM 0 HE ARG A 84 5.939 -9.301 3.622 1.00 0.00 H new ATOM 0 HH11 ARG A 84 8.344 -8.949 6.183 1.00 0.00 H new ATOM 0 HH12 ARG A 84 7.679 -10.271 7.148 1.00 0.00 H new ATOM 0 HH21 ARG A 84 5.090 -10.996 4.868 1.00 0.00 H new ATOM 0 HH22 ARG A 84 5.845 -11.425 6.406 1.00 0.00 H new ATOM 1193 N LEU A 85 10.088 -9.158 -1.065 1.00 0.00 N ATOM 1194 CA LEU A 85 9.825 -9.344 -2.488 1.00 0.00 C ATOM 1195 C LEU A 85 10.703 -10.451 -3.064 1.00 0.00 C ATOM 1196 O LEU A 85 10.344 -11.089 -4.054 1.00 0.00 O ATOM 1197 CB LEU A 85 10.068 -8.038 -3.246 1.00 0.00 C ATOM 1198 CG LEU A 85 9.536 -6.767 -2.583 1.00 0.00 C ATOM 1199 CD1 LEU A 85 10.233 -5.539 -3.147 1.00 0.00 C ATOM 1200 CD2 LEU A 85 8.030 -6.660 -2.766 1.00 0.00 C ATOM 0 H LEU A 85 10.750 -8.412 -0.852 1.00 0.00 H new ATOM 0 HA LEU A 85 8.781 -9.636 -2.605 1.00 0.00 H new ATOM 0 HB2 LEU A 85 11.141 -7.923 -3.396 1.00 0.00 H new ATOM 0 HB3 LEU A 85 9.615 -8.125 -4.234 1.00 0.00 H new ATOM 0 HG LEU A 85 9.748 -6.821 -1.515 1.00 0.00 H new ATOM 0 HD11 LEU A 85 9.841 -4.644 -2.663 1.00 0.00 H new ATOM 0 HD12 LEU A 85 11.305 -5.612 -2.962 1.00 0.00 H new ATOM 0 HD13 LEU A 85 10.053 -5.479 -4.220 1.00 0.00 H new ATOM 0 HD21 LEU A 85 7.669 -5.749 -2.288 1.00 0.00 H new ATOM 0 HD22 LEU A 85 7.794 -6.629 -3.830 1.00 0.00 H new ATOM 0 HD23 LEU A 85 7.546 -7.525 -2.312 1.00 0.00 H new ATOM 1212 N ARG A 86 11.852 -10.674 -2.436 1.00 0.00 N ATOM 1213 CA ARG A 86 12.781 -11.705 -2.886 1.00 0.00 C ATOM 1214 C ARG A 86 12.167 -13.093 -2.733 1.00 0.00 C ATOM 1215 O ARG A 86 12.049 -13.841 -3.703 1.00 0.00 O ATOM 1216 CB ARG A 86 14.088 -11.623 -2.096 1.00 0.00 C ATOM 1217 CG ARG A 86 14.698 -10.231 -2.069 1.00 0.00 C ATOM 1218 CD ARG A 86 15.117 -9.780 -3.459 1.00 0.00 C ATOM 1219 NE ARG A 86 16.218 -10.581 -3.986 1.00 0.00 N ATOM 1220 CZ ARG A 86 17.063 -10.148 -4.915 1.00 0.00 C ATOM 1221 NH1 ARG A 86 16.934 -8.927 -5.416 1.00 0.00 N ATOM 1222 NH2 ARG A 86 18.041 -10.936 -5.343 1.00 0.00 N ATOM 0 H ARG A 86 12.163 -10.155 -1.614 1.00 0.00 H new ATOM 0 HA ARG A 86 12.992 -11.534 -3.942 1.00 0.00 H new ATOM 0 HB2 ARG A 86 13.905 -11.950 -1.072 1.00 0.00 H new ATOM 0 HB3 ARG A 86 14.808 -12.318 -2.529 1.00 0.00 H new ATOM 0 HG2 ARG A 86 13.977 -9.524 -1.658 1.00 0.00 H new ATOM 0 HG3 ARG A 86 15.564 -10.225 -1.407 1.00 0.00 H new ATOM 0 HD2 ARG A 86 14.264 -9.848 -4.134 1.00 0.00 H new ATOM 0 HD3 ARG A 86 15.415 -8.732 -3.426 1.00 0.00 H new ATOM 0 HE ARG A 86 16.345 -11.525 -3.621 1.00 0.00 H new ATOM 0 HH11 ARG A 86 16.185 -8.318 -5.088 1.00 0.00 H new ATOM 0 HH12 ARG A 86 17.584 -8.597 -6.129 1.00 0.00 H new ATOM 0 HH21 ARG A 86 18.144 -11.875 -4.959 1.00 0.00 H new ATOM 0 HH22 ARG A 86 18.689 -10.603 -6.056 1.00 0.00 H new ATOM 1236 N SER A 87 11.779 -13.431 -1.507 1.00 0.00 N ATOM 1237 CA SER A 87 11.181 -14.731 -1.226 1.00 0.00 C ATOM 1238 C SER A 87 10.047 -15.030 -2.202 1.00 0.00 C ATOM 1239 O SER A 87 9.872 -16.169 -2.638 1.00 0.00 O ATOM 1240 CB SER A 87 10.658 -14.776 0.211 1.00 0.00 C ATOM 1241 OG SER A 87 10.690 -16.096 0.725 1.00 0.00 O ATOM 0 H SER A 87 11.868 -12.823 -0.693 1.00 0.00 H new ATOM 0 HA SER A 87 11.952 -15.492 -1.348 1.00 0.00 H new ATOM 0 HB2 SER A 87 11.261 -14.122 0.841 1.00 0.00 H new ATOM 0 HB3 SER A 87 9.637 -14.395 0.242 1.00 0.00 H new ATOM 0 HG SER A 87 10.352 -16.097 1.645 1.00 0.00 H new ATOM 1247 N LEU A 88 9.279 -14.001 -2.540 1.00 0.00 N ATOM 1248 CA LEU A 88 8.161 -14.151 -3.464 1.00 0.00 C ATOM 1249 C LEU A 88 8.597 -13.866 -4.898 1.00 0.00 C ATOM 1250 O LEU A 88 7.873 -14.163 -5.847 1.00 0.00 O ATOM 1251 CB LEU A 88 7.019 -13.213 -3.071 1.00 0.00 C ATOM 1252 CG LEU A 88 6.673 -13.163 -1.582 1.00 0.00 C ATOM 1253 CD1 LEU A 88 6.105 -11.802 -1.211 1.00 0.00 C ATOM 1254 CD2 LEU A 88 5.689 -14.268 -1.226 1.00 0.00 C ATOM 0 H LEU A 88 9.410 -13.053 -2.188 1.00 0.00 H new ATOM 0 HA LEU A 88 7.812 -15.182 -3.408 1.00 0.00 H new ATOM 0 HB2 LEU A 88 7.275 -12.205 -3.398 1.00 0.00 H new ATOM 0 HB3 LEU A 88 6.126 -13.510 -3.621 1.00 0.00 H new ATOM 0 HG LEU A 88 7.588 -13.320 -1.011 1.00 0.00 H new ATOM 0 HD11 LEU A 88 5.865 -11.785 -0.148 1.00 0.00 H new ATOM 0 HD12 LEU A 88 6.842 -11.029 -1.429 1.00 0.00 H new ATOM 0 HD13 LEU A 88 5.201 -11.615 -1.790 1.00 0.00 H new ATOM 0 HD21 LEU A 88 5.454 -14.217 -0.163 1.00 0.00 H new ATOM 0 HD22 LEU A 88 4.775 -14.142 -1.806 1.00 0.00 H new ATOM 0 HD23 LEU A 88 6.132 -15.237 -1.454 1.00 0.00 H new ATOM 1266 N GLU A 89 9.787 -13.291 -5.046 1.00 0.00 N ATOM 1267 CA GLU A 89 10.319 -12.968 -6.364 1.00 0.00 C ATOM 1268 C GLU A 89 9.379 -12.031 -7.117 1.00 0.00 C ATOM 1269 O GLU A 89 9.221 -12.137 -8.332 1.00 0.00 O ATOM 1270 CB GLU A 89 10.540 -14.246 -7.177 1.00 0.00 C ATOM 1271 CG GLU A 89 11.456 -15.250 -6.496 1.00 0.00 C ATOM 1272 CD GLU A 89 11.356 -16.636 -7.103 1.00 0.00 C ATOM 1273 OE1 GLU A 89 11.681 -16.783 -8.299 1.00 0.00 O ATOM 1274 OE2 GLU A 89 10.953 -17.572 -6.382 1.00 0.00 O ATOM 0 H GLU A 89 10.400 -13.040 -4.270 1.00 0.00 H new ATOM 0 HA GLU A 89 11.275 -12.462 -6.227 1.00 0.00 H new ATOM 0 HB2 GLU A 89 9.576 -14.717 -7.367 1.00 0.00 H new ATOM 0 HB3 GLU A 89 10.962 -13.981 -8.147 1.00 0.00 H new ATOM 0 HG2 GLU A 89 12.486 -14.901 -6.564 1.00 0.00 H new ATOM 0 HG3 GLU A 89 11.207 -15.303 -5.436 1.00 0.00 H new ATOM 1281 N ALA A 90 8.757 -11.113 -6.384 1.00 0.00 N ATOM 1282 CA ALA A 90 7.834 -10.156 -6.980 1.00 0.00 C ATOM 1283 C ALA A 90 8.588 -9.037 -7.692 1.00 0.00 C ATOM 1284 O ALA A 90 9.483 -8.415 -7.119 1.00 0.00 O ATOM 1285 CB ALA A 90 6.911 -9.580 -5.917 1.00 0.00 C ATOM 0 H ALA A 90 8.876 -11.012 -5.376 1.00 0.00 H new ATOM 0 HA ALA A 90 7.232 -10.682 -7.721 1.00 0.00 H new ATOM 0 HB1 ALA A 90 6.227 -8.867 -6.377 1.00 0.00 H new ATOM 0 HB2 ALA A 90 6.339 -10.386 -5.456 1.00 0.00 H new ATOM 0 HB3 ALA A 90 7.504 -9.074 -5.155 1.00 0.00 H new ATOM 1291 N LYS A 91 8.220 -8.786 -8.944 1.00 0.00 N ATOM 1292 CA LYS A 91 8.860 -7.741 -9.735 1.00 0.00 C ATOM 1293 C LYS A 91 7.997 -6.485 -9.777 1.00 0.00 C ATOM 1294 O LYS A 91 8.083 -5.692 -10.714 1.00 0.00 O ATOM 1295 CB LYS A 91 9.125 -8.240 -11.157 1.00 0.00 C ATOM 1296 CG LYS A 91 10.328 -9.160 -11.265 1.00 0.00 C ATOM 1297 CD LYS A 91 11.632 -8.390 -11.135 1.00 0.00 C ATOM 1298 CE LYS A 91 11.865 -7.481 -12.332 1.00 0.00 C ATOM 1299 NZ LYS A 91 13.315 -7.264 -12.591 1.00 0.00 N ATOM 0 H LYS A 91 7.482 -9.292 -9.433 1.00 0.00 H new ATOM 0 HA LYS A 91 9.810 -7.491 -9.262 1.00 0.00 H new ATOM 0 HB2 LYS A 91 8.242 -8.767 -11.519 1.00 0.00 H new ATOM 0 HB3 LYS A 91 9.275 -7.382 -11.812 1.00 0.00 H new ATOM 0 HG2 LYS A 91 10.275 -9.922 -10.488 1.00 0.00 H new ATOM 0 HG3 LYS A 91 10.305 -9.680 -12.223 1.00 0.00 H new ATOM 0 HD2 LYS A 91 11.614 -7.794 -10.222 1.00 0.00 H new ATOM 0 HD3 LYS A 91 12.462 -9.091 -11.042 1.00 0.00 H new ATOM 0 HE2 LYS A 91 11.400 -7.918 -13.216 1.00 0.00 H new ATOM 0 HE3 LYS A 91 11.380 -6.521 -12.158 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 13.431 -6.639 -13.414 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 13.754 -6.823 -11.758 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 13.774 -8.177 -12.782 1.00 0.00 H new ATOM 1313 N GLY A 92 7.165 -6.308 -8.755 1.00 0.00 N ATOM 1314 CA GLY A 92 6.299 -5.145 -8.695 1.00 0.00 C ATOM 1315 C GLY A 92 5.418 -5.142 -7.462 1.00 0.00 C ATOM 1316 O GLY A 92 5.091 -6.198 -6.920 1.00 0.00 O ATOM 0 H GLY A 92 7.075 -6.950 -7.967 1.00 0.00 H new ATOM 0 HA2 GLY A 92 6.908 -4.241 -8.705 1.00 0.00 H new ATOM 0 HA3 GLY A 92 5.672 -5.116 -9.586 1.00 0.00 H new ATOM 1320 N VAL A 93 5.033 -3.950 -7.015 1.00 0.00 N ATOM 1321 CA VAL A 93 4.185 -3.813 -5.837 1.00 0.00 C ATOM 1322 C VAL A 93 2.968 -2.944 -6.134 1.00 0.00 C ATOM 1323 O VAL A 93 2.905 -2.276 -7.167 1.00 0.00 O ATOM 1324 CB VAL A 93 4.960 -3.203 -4.654 1.00 0.00 C ATOM 1325 CG1 VAL A 93 5.896 -4.234 -4.041 1.00 0.00 C ATOM 1326 CG2 VAL A 93 5.731 -1.971 -5.102 1.00 0.00 C ATOM 0 H VAL A 93 5.295 -3.066 -7.451 1.00 0.00 H new ATOM 0 HA VAL A 93 3.855 -4.816 -5.567 1.00 0.00 H new ATOM 0 HB VAL A 93 4.244 -2.898 -3.891 1.00 0.00 H new ATOM 0 HG11 VAL A 93 6.435 -3.785 -3.207 1.00 0.00 H new ATOM 0 HG12 VAL A 93 5.316 -5.085 -3.683 1.00 0.00 H new ATOM 0 HG13 VAL A 93 6.608 -4.572 -4.794 1.00 0.00 H new ATOM 0 HG21 VAL A 93 6.273 -1.553 -4.254 1.00 0.00 H new ATOM 0 HG22 VAL A 93 6.438 -2.249 -5.883 1.00 0.00 H new ATOM 0 HG23 VAL A 93 5.035 -1.227 -5.490 1.00 0.00 H new ATOM 1336 N THR A 94 2.000 -2.958 -5.222 1.00 0.00 N ATOM 1337 CA THR A 94 0.784 -2.172 -5.387 1.00 0.00 C ATOM 1338 C THR A 94 0.401 -1.474 -4.087 1.00 0.00 C ATOM 1339 O THR A 94 0.841 -1.867 -3.006 1.00 0.00 O ATOM 1340 CB THR A 94 -0.393 -3.050 -5.851 1.00 0.00 C ATOM 1341 OG1 THR A 94 -0.780 -3.946 -4.803 1.00 0.00 O ATOM 1342 CG2 THR A 94 -0.019 -3.845 -7.093 1.00 0.00 C ATOM 0 H THR A 94 2.035 -3.505 -4.362 1.00 0.00 H new ATOM 0 HA THR A 94 0.992 -1.423 -6.151 1.00 0.00 H new ATOM 0 HB THR A 94 -1.230 -2.396 -6.096 1.00 0.00 H new ATOM 0 HG1 THR A 94 -0.838 -4.858 -5.157 1.00 0.00 H new ATOM 0 HG21 THR A 94 -0.866 -4.457 -7.402 1.00 0.00 H new ATOM 0 HG22 THR A 94 0.246 -3.159 -7.898 1.00 0.00 H new ATOM 0 HG23 THR A 94 0.832 -4.489 -6.870 1.00 0.00 H new ATOM 1350 N VAL A 95 -0.422 -0.436 -4.198 1.00 0.00 N ATOM 1351 CA VAL A 95 -0.867 0.316 -3.031 1.00 0.00 C ATOM 1352 C VAL A 95 -2.386 0.296 -2.909 1.00 0.00 C ATOM 1353 O VAL A 95 -3.099 0.621 -3.858 1.00 0.00 O ATOM 1354 CB VAL A 95 -0.387 1.779 -3.090 1.00 0.00 C ATOM 1355 CG1 VAL A 95 -0.604 2.466 -1.750 1.00 0.00 C ATOM 1356 CG2 VAL A 95 1.076 1.843 -3.501 1.00 0.00 C ATOM 0 H VAL A 95 -0.794 -0.097 -5.085 1.00 0.00 H new ATOM 0 HA VAL A 95 -0.430 -0.168 -2.158 1.00 0.00 H new ATOM 0 HB VAL A 95 -0.975 2.307 -3.841 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -0.259 3.498 -1.810 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -1.665 2.452 -1.501 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -0.043 1.941 -0.977 1.00 0.00 H new ATOM 0 HG21 VAL A 95 1.398 2.884 -3.538 1.00 0.00 H new ATOM 0 HG22 VAL A 95 1.682 1.301 -2.775 1.00 0.00 H new ATOM 0 HG23 VAL A 95 1.198 1.391 -4.485 1.00 0.00 H new ATOM 1366 N ARG A 96 -2.875 -0.089 -1.735 1.00 0.00 N ATOM 1367 CA ARG A 96 -4.311 -0.153 -1.489 1.00 0.00 C ATOM 1368 C ARG A 96 -4.711 0.789 -0.357 1.00 0.00 C ATOM 1369 O ARG A 96 -4.068 0.824 0.693 1.00 0.00 O ATOM 1370 CB ARG A 96 -4.728 -1.584 -1.148 1.00 0.00 C ATOM 1371 CG ARG A 96 -4.136 -2.630 -2.079 1.00 0.00 C ATOM 1372 CD ARG A 96 -4.398 -4.039 -1.572 1.00 0.00 C ATOM 1373 NE ARG A 96 -5.714 -4.529 -1.972 1.00 0.00 N ATOM 1374 CZ ARG A 96 -6.130 -5.773 -1.763 1.00 0.00 C ATOM 1375 NH1 ARG A 96 -5.337 -6.649 -1.162 1.00 0.00 N ATOM 1376 NH2 ARG A 96 -7.343 -6.143 -2.156 1.00 0.00 N ATOM 0 H ARG A 96 -2.298 -0.361 -0.939 1.00 0.00 H new ATOM 0 HA ARG A 96 -4.825 0.161 -2.398 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -4.425 -1.808 -0.125 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -5.815 -1.654 -1.181 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -4.563 -2.515 -3.075 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -3.062 -2.470 -2.172 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -3.630 -4.711 -1.955 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -4.321 -4.053 -0.485 1.00 0.00 H new ATOM 0 HE ARG A 96 -6.349 -3.880 -2.438 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -4.404 -6.368 -0.859 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -5.659 -7.604 -1.003 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -7.956 -5.472 -2.619 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -7.662 -7.098 -1.995 1.00 0.00 H new ATOM 1390 N THR A 97 -5.777 1.552 -0.577 1.00 0.00 N ATOM 1391 CA THR A 97 -6.262 2.495 0.423 1.00 0.00 C ATOM 1392 C THR A 97 -6.943 1.769 1.577 1.00 0.00 C ATOM 1393 O THR A 97 -8.023 1.199 1.415 1.00 0.00 O ATOM 1394 CB THR A 97 -7.251 3.504 -0.190 1.00 0.00 C ATOM 1395 OG1 THR A 97 -6.807 3.895 -1.494 1.00 0.00 O ATOM 1396 CG2 THR A 97 -7.387 4.734 0.695 1.00 0.00 C ATOM 0 H THR A 97 -6.321 1.535 -1.440 1.00 0.00 H new ATOM 0 HA THR A 97 -5.392 3.034 0.799 1.00 0.00 H new ATOM 0 HB THR A 97 -8.226 3.022 -0.268 1.00 0.00 H new ATOM 0 HG1 THR A 97 -7.474 4.485 -1.903 1.00 0.00 H new ATOM 0 HG21 THR A 97 -8.090 5.432 0.242 1.00 0.00 H new ATOM 0 HG22 THR A 97 -7.753 4.437 1.678 1.00 0.00 H new ATOM 0 HG23 THR A 97 -6.415 5.216 0.801 1.00 0.00 H new ATOM 1404 N LEU A 98 -6.308 1.795 2.743 1.00 0.00 N ATOM 1405 CA LEU A 98 -6.854 1.140 3.927 1.00 0.00 C ATOM 1406 C LEU A 98 -7.808 2.068 4.671 1.00 0.00 C ATOM 1407 O LEU A 98 -7.534 3.257 4.833 1.00 0.00 O ATOM 1408 CB LEU A 98 -5.722 0.700 4.858 1.00 0.00 C ATOM 1409 CG LEU A 98 -4.540 -0.004 4.191 1.00 0.00 C ATOM 1410 CD1 LEU A 98 -3.513 -0.423 5.231 1.00 0.00 C ATOM 1411 CD2 LEU A 98 -5.016 -1.209 3.393 1.00 0.00 C ATOM 0 H LEU A 98 -5.414 2.263 2.894 1.00 0.00 H new ATOM 0 HA LEU A 98 -7.411 0.261 3.602 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -5.347 1.579 5.382 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -6.138 0.033 5.613 1.00 0.00 H new ATOM 0 HG LEU A 98 -4.066 0.697 3.503 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -2.679 -0.922 4.738 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -3.148 0.459 5.758 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -3.975 -1.106 5.944 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -4.161 -1.697 2.926 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -5.516 -1.912 4.059 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -5.713 -0.882 2.622 1.00 0.00 H new ATOM 1423 N SER A 99 -8.929 1.516 5.125 1.00 0.00 N ATOM 1424 CA SER A 99 -9.925 2.294 5.851 1.00 0.00 C ATOM 1425 C SER A 99 -10.590 1.450 6.935 1.00 0.00 C ATOM 1426 O SER A 99 -10.313 0.258 7.066 1.00 0.00 O ATOM 1427 CB SER A 99 -10.984 2.833 4.887 1.00 0.00 C ATOM 1428 OG SER A 99 -11.539 1.790 4.104 1.00 0.00 O ATOM 0 H SER A 99 -9.170 0.532 5.003 1.00 0.00 H new ATOM 0 HA SER A 99 -9.418 3.132 6.328 1.00 0.00 H new ATOM 0 HB2 SER A 99 -11.774 3.329 5.450 1.00 0.00 H new ATOM 0 HB3 SER A 99 -10.538 3.584 4.235 1.00 0.00 H new ATOM 0 HG SER A 99 -12.214 2.160 3.497 1.00 0.00 H new ATOM 1434 N ALA A 100 -11.468 2.078 7.710 1.00 0.00 N ATOM 1435 CA ALA A 100 -12.174 1.386 8.781 1.00 0.00 C ATOM 1436 C ALA A 100 -13.104 0.315 8.223 1.00 0.00 C ATOM 1437 O ALA A 100 -13.466 -0.630 8.922 1.00 0.00 O ATOM 1438 CB ALA A 100 -12.956 2.381 9.626 1.00 0.00 C ATOM 0 H ALA A 100 -11.707 3.065 7.616 1.00 0.00 H new ATOM 0 HA ALA A 100 -11.434 0.893 9.412 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -13.479 1.851 10.422 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -12.269 3.106 10.063 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -13.681 2.900 8.999 1.00 0.00 H new ATOM 1444 N GLN A 101 -13.488 0.472 6.960 1.00 0.00 N ATOM 1445 CA GLN A 101 -14.379 -0.483 6.309 1.00 0.00 C ATOM 1446 C GLN A 101 -13.597 -1.675 5.767 1.00 0.00 C ATOM 1447 O GLN A 101 -14.074 -2.808 5.798 1.00 0.00 O ATOM 1448 CB GLN A 101 -15.147 0.197 5.174 1.00 0.00 C ATOM 1449 CG GLN A 101 -16.469 0.805 5.614 1.00 0.00 C ATOM 1450 CD GLN A 101 -16.287 2.065 6.437 1.00 0.00 C ATOM 1451 OE1 GLN A 101 -16.579 3.169 5.976 1.00 0.00 O ATOM 1452 NE2 GLN A 101 -15.802 1.906 7.663 1.00 0.00 N ATOM 0 H GLN A 101 -13.197 1.250 6.368 1.00 0.00 H new ATOM 0 HA GLN A 101 -15.089 -0.845 7.053 1.00 0.00 H new ATOM 0 HB2 GLN A 101 -14.523 0.979 4.741 1.00 0.00 H new ATOM 0 HB3 GLN A 101 -15.336 -0.532 4.386 1.00 0.00 H new ATOM 0 HG2 GLN A 101 -17.070 1.034 4.734 1.00 0.00 H new ATOM 0 HG3 GLN A 101 -17.025 0.072 6.198 1.00 0.00 H new ATOM 0 HE21 GLN A 101 -15.574 0.972 8.004 1.00 0.00 H new ATOM 0 HE22 GLN A 101 -15.658 2.718 8.264 1.00 0.00 H new ATOM 1461 N GLY A 102 -12.392 -1.410 5.270 1.00 0.00 N ATOM 1462 CA GLY A 102 -11.564 -2.471 4.728 1.00 0.00 C ATOM 1463 C GLY A 102 -10.422 -1.941 3.884 1.00 0.00 C ATOM 1464 O GLY A 102 -9.700 -1.037 4.304 1.00 0.00 O ATOM 0 H GLY A 102 -11.975 -0.480 5.233 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -11.161 -3.067 5.547 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -12.181 -3.136 4.123 1.00 0.00 H new ATOM 1468 N GLU A 103 -10.257 -2.506 2.692 1.00 0.00 N ATOM 1469 CA GLU A 103 -9.193 -2.085 1.789 1.00 0.00 C ATOM 1470 C GLU A 103 -9.733 -1.857 0.380 1.00 0.00 C ATOM 1471 O GLU A 103 -10.872 -2.211 0.075 1.00 0.00 O ATOM 1472 CB GLU A 103 -8.078 -3.133 1.756 1.00 0.00 C ATOM 1473 CG GLU A 103 -7.613 -3.571 3.134 1.00 0.00 C ATOM 1474 CD GLU A 103 -6.180 -4.065 3.137 1.00 0.00 C ATOM 1475 OE1 GLU A 103 -5.425 -3.704 2.210 1.00 0.00 O ATOM 1476 OE2 GLU A 103 -5.812 -4.812 4.068 1.00 0.00 O ATOM 0 H GLU A 103 -10.846 -3.256 2.330 1.00 0.00 H new ATOM 0 HA GLU A 103 -8.787 -1.144 2.161 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -8.428 -4.006 1.205 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -7.228 -2.729 1.206 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -7.707 -2.735 3.827 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -8.267 -4.363 3.499 1.00 0.00 H new ATOM 1483 N SER A 104 -8.907 -1.262 -0.475 1.00 0.00 N ATOM 1484 CA SER A 104 -9.302 -0.982 -1.851 1.00 0.00 C ATOM 1485 C SER A 104 -8.476 -1.808 -2.832 1.00 0.00 C ATOM 1486 O SER A 104 -7.517 -2.476 -2.446 1.00 0.00 O ATOM 1487 CB SER A 104 -9.140 0.508 -2.157 1.00 0.00 C ATOM 1488 OG SER A 104 -9.157 0.746 -3.553 1.00 0.00 O ATOM 0 H SER A 104 -7.960 -0.965 -0.239 1.00 0.00 H new ATOM 0 HA SER A 104 -10.351 -1.257 -1.965 1.00 0.00 H new ATOM 0 HB2 SER A 104 -9.943 1.070 -1.679 1.00 0.00 H new ATOM 0 HB3 SER A 104 -8.202 0.869 -1.735 1.00 0.00 H new ATOM 0 HG SER A 104 -9.483 1.654 -3.726 1.00 0.00 H new ATOM 1494 N VAL A 105 -8.854 -1.755 -4.105 1.00 0.00 N ATOM 1495 CA VAL A 105 -8.149 -2.496 -5.144 1.00 0.00 C ATOM 1496 C VAL A 105 -6.662 -2.158 -5.147 1.00 0.00 C ATOM 1497 O VAL A 105 -6.226 -1.225 -4.472 1.00 0.00 O ATOM 1498 CB VAL A 105 -8.734 -2.203 -6.538 1.00 0.00 C ATOM 1499 CG1 VAL A 105 -10.174 -2.685 -6.626 1.00 0.00 C ATOM 1500 CG2 VAL A 105 -8.640 -0.717 -6.853 1.00 0.00 C ATOM 0 H VAL A 105 -9.645 -1.206 -4.442 1.00 0.00 H new ATOM 0 HA VAL A 105 -8.278 -3.555 -4.920 1.00 0.00 H new ATOM 0 HB VAL A 105 -8.149 -2.747 -7.280 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -10.570 -2.469 -7.618 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -10.210 -3.760 -6.447 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -10.776 -2.172 -5.876 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -9.058 -0.528 -7.842 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -9.199 -0.151 -6.108 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -7.595 -0.407 -6.835 1.00 0.00 H new ATOM 1510 N ASP A 106 -5.889 -2.921 -5.911 1.00 0.00 N ATOM 1511 CA ASP A 106 -4.450 -2.702 -6.003 1.00 0.00 C ATOM 1512 C ASP A 106 -4.128 -1.652 -7.062 1.00 0.00 C ATOM 1513 O ASP A 106 -4.511 -1.790 -8.224 1.00 0.00 O ATOM 1514 CB ASP A 106 -3.733 -4.012 -6.332 1.00 0.00 C ATOM 1515 CG ASP A 106 -4.456 -5.223 -5.776 1.00 0.00 C ATOM 1516 OD1 ASP A 106 -5.563 -5.530 -6.265 1.00 0.00 O ATOM 1517 OD2 ASP A 106 -3.915 -5.864 -4.851 1.00 0.00 O ATOM 0 H ASP A 106 -6.234 -3.697 -6.476 1.00 0.00 H new ATOM 0 HA ASP A 106 -4.100 -2.338 -5.037 1.00 0.00 H new ATOM 0 HB2 ASP A 106 -3.642 -4.111 -7.414 1.00 0.00 H new ATOM 0 HB3 ASP A 106 -2.721 -3.980 -5.929 1.00 0.00 H new ATOM 1522 N SER A 107 -3.422 -0.603 -6.652 1.00 0.00 N ATOM 1523 CA SER A 107 -3.053 0.473 -7.564 1.00 0.00 C ATOM 1524 C SER A 107 -2.157 -0.048 -8.685 1.00 0.00 C ATOM 1525 O SER A 107 -1.866 -1.241 -8.757 1.00 0.00 O ATOM 1526 CB SER A 107 -2.338 1.592 -6.804 1.00 0.00 C ATOM 1527 OG SER A 107 -1.110 1.137 -6.262 1.00 0.00 O ATOM 0 H SER A 107 -3.094 -0.476 -5.695 1.00 0.00 H new ATOM 0 HA SER A 107 -3.967 0.870 -8.007 1.00 0.00 H new ATOM 0 HB2 SER A 107 -2.154 2.431 -7.475 1.00 0.00 H new ATOM 0 HB3 SER A 107 -2.979 1.959 -6.002 1.00 0.00 H new ATOM 0 HG SER A 107 -0.981 0.193 -6.491 1.00 0.00 H new ATOM 1533 N ALA A 108 -1.724 0.857 -9.557 1.00 0.00 N ATOM 1534 CA ALA A 108 -0.861 0.490 -10.672 1.00 0.00 C ATOM 1535 C ALA A 108 0.397 -0.219 -10.183 1.00 0.00 C ATOM 1536 O ALA A 108 1.281 0.400 -9.590 1.00 0.00 O ATOM 1537 CB ALA A 108 -0.492 1.725 -11.482 1.00 0.00 C ATOM 0 H ALA A 108 -1.957 1.849 -9.512 1.00 0.00 H new ATOM 0 HA ALA A 108 -1.410 -0.201 -11.312 1.00 0.00 H new ATOM 0 HB1 ALA A 108 0.153 1.436 -12.312 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -1.398 2.189 -11.871 1.00 0.00 H new ATOM 0 HB3 ALA A 108 0.034 2.435 -10.844 1.00 0.00 H new ATOM 1543 N VAL A 109 0.472 -1.522 -10.434 1.00 0.00 N ATOM 1544 CA VAL A 109 1.622 -2.316 -10.019 1.00 0.00 C ATOM 1545 C VAL A 109 2.929 -1.650 -10.437 1.00 0.00 C ATOM 1546 O VAL A 109 3.302 -1.674 -11.609 1.00 0.00 O ATOM 1547 CB VAL A 109 1.569 -3.735 -10.615 1.00 0.00 C ATOM 1548 CG1 VAL A 109 1.470 -3.675 -12.132 1.00 0.00 C ATOM 1549 CG2 VAL A 109 2.786 -4.540 -10.184 1.00 0.00 C ATOM 0 H VAL A 109 -0.251 -2.050 -10.923 1.00 0.00 H new ATOM 0 HA VAL A 109 1.583 -2.385 -8.932 1.00 0.00 H new ATOM 0 HB VAL A 109 0.678 -4.235 -10.236 1.00 0.00 H new ATOM 0 HG11 VAL A 109 1.434 -4.687 -12.535 1.00 0.00 H new ATOM 0 HG12 VAL A 109 0.565 -3.139 -12.417 1.00 0.00 H new ATOM 0 HG13 VAL A 109 2.341 -3.156 -12.533 1.00 0.00 H new ATOM 0 HG21 VAL A 109 2.732 -5.540 -10.614 1.00 0.00 H new ATOM 0 HG22 VAL A 109 3.692 -4.044 -10.532 1.00 0.00 H new ATOM 0 HG23 VAL A 109 2.807 -4.614 -9.097 1.00 0.00 H new ATOM 1559 N ALA A 110 3.620 -1.057 -9.469 1.00 0.00 N ATOM 1560 CA ALA A 110 4.886 -0.387 -9.735 1.00 0.00 C ATOM 1561 C ALA A 110 6.040 -1.384 -9.764 1.00 0.00 C ATOM 1562 O ALA A 110 6.559 -1.777 -8.719 1.00 0.00 O ATOM 1563 CB ALA A 110 5.143 0.691 -8.692 1.00 0.00 C ATOM 0 H ALA A 110 3.324 -1.027 -8.493 1.00 0.00 H new ATOM 0 HA ALA A 110 4.821 0.082 -10.717 1.00 0.00 H new ATOM 0 HB1 ALA A 110 6.092 1.183 -8.904 1.00 0.00 H new ATOM 0 HB2 ALA A 110 4.339 1.426 -8.723 1.00 0.00 H new ATOM 0 HB3 ALA A 110 5.182 0.237 -7.702 1.00 0.00 H new ATOM 1569 N ALA A 111 6.436 -1.789 -10.966 1.00 0.00 N ATOM 1570 CA ALA A 111 7.529 -2.740 -11.129 1.00 0.00 C ATOM 1571 C ALA A 111 8.822 -2.198 -10.528 1.00 0.00 C ATOM 1572 O ALA A 111 9.426 -1.269 -11.064 1.00 0.00 O ATOM 1573 CB ALA A 111 7.727 -3.068 -12.602 1.00 0.00 C ATOM 0 H ALA A 111 6.017 -1.474 -11.841 1.00 0.00 H new ATOM 0 HA ALA A 111 7.266 -3.654 -10.596 1.00 0.00 H new ATOM 0 HB1 ALA A 111 8.546 -3.779 -12.710 1.00 0.00 H new ATOM 0 HB2 ALA A 111 6.813 -3.504 -13.004 1.00 0.00 H new ATOM 0 HB3 ALA A 111 7.964 -2.156 -13.149 1.00 0.00 H new ATOM 1579 N VAL A 112 9.241 -2.785 -9.411 1.00 0.00 N ATOM 1580 CA VAL A 112 10.462 -2.361 -8.737 1.00 0.00 C ATOM 1581 C VAL A 112 11.684 -2.586 -9.621 1.00 0.00 C ATOM 1582 O VAL A 112 11.826 -3.619 -10.276 1.00 0.00 O ATOM 1583 CB VAL A 112 10.659 -3.113 -7.408 1.00 0.00 C ATOM 1584 CG1 VAL A 112 11.966 -2.699 -6.748 1.00 0.00 C ATOM 1585 CG2 VAL A 112 9.481 -2.866 -6.477 1.00 0.00 C ATOM 0 H VAL A 112 8.753 -3.555 -8.954 1.00 0.00 H new ATOM 0 HA VAL A 112 10.357 -1.296 -8.531 1.00 0.00 H new ATOM 0 HB VAL A 112 10.709 -4.181 -7.619 1.00 0.00 H new ATOM 0 HG11 VAL A 112 12.088 -3.241 -5.810 1.00 0.00 H new ATOM 0 HG12 VAL A 112 12.799 -2.931 -7.412 1.00 0.00 H new ATOM 0 HG13 VAL A 112 11.949 -1.628 -6.548 1.00 0.00 H new ATOM 0 HG21 VAL A 112 9.637 -3.405 -5.542 1.00 0.00 H new ATOM 0 HG22 VAL A 112 9.398 -1.799 -6.271 1.00 0.00 H new ATOM 0 HG23 VAL A 112 8.564 -3.217 -6.950 1.00 0.00 H new ATOM 1595 N PRO A 113 12.590 -1.597 -9.642 1.00 0.00 N ATOM 1596 CA PRO A 113 13.817 -1.664 -10.441 1.00 0.00 C ATOM 1597 C PRO A 113 14.806 -2.690 -9.900 1.00 0.00 C ATOM 1598 O PRO A 113 14.902 -2.919 -8.694 1.00 0.00 O ATOM 1599 CB PRO A 113 14.394 -0.251 -10.323 1.00 0.00 C ATOM 1600 CG PRO A 113 13.851 0.274 -9.039 1.00 0.00 C ATOM 1601 CD PRO A 113 12.486 -0.337 -8.886 1.00 0.00 C ATOM 0 HA PRO A 113 13.619 -1.974 -11.467 1.00 0.00 H new ATOM 0 HB2 PRO A 113 15.484 -0.268 -10.314 1.00 0.00 H new ATOM 0 HB3 PRO A 113 14.091 0.372 -11.165 1.00 0.00 H new ATOM 0 HG2 PRO A 113 14.496 0.003 -8.203 1.00 0.00 H new ATOM 0 HG3 PRO A 113 13.792 1.362 -9.056 1.00 0.00 H new ATOM 0 HD2 PRO A 113 12.241 -0.516 -7.839 1.00 0.00 H new ATOM 0 HD3 PRO A 113 11.708 0.311 -9.290 1.00 0.00 H new ATOM 1609 N PRO A 114 15.560 -3.324 -10.810 1.00 0.00 N ATOM 1610 CA PRO A 114 16.556 -4.337 -10.447 1.00 0.00 C ATOM 1611 C PRO A 114 17.758 -3.735 -9.727 1.00 0.00 C ATOM 1612 O PRO A 114 18.464 -4.427 -8.996 1.00 0.00 O ATOM 1613 CB PRO A 114 16.978 -4.919 -11.798 1.00 0.00 C ATOM 1614 CG PRO A 114 16.705 -3.833 -12.781 1.00 0.00 C ATOM 1615 CD PRO A 114 15.498 -3.101 -12.265 1.00 0.00 C ATOM 0 HA PRO A 114 16.152 -5.077 -9.756 1.00 0.00 H new ATOM 0 HB2 PRO A 114 18.032 -5.197 -11.797 1.00 0.00 H new ATOM 0 HB3 PRO A 114 16.411 -5.819 -12.035 1.00 0.00 H new ATOM 0 HG2 PRO A 114 17.560 -3.162 -12.869 1.00 0.00 H new ATOM 0 HG3 PRO A 114 16.518 -4.243 -13.773 1.00 0.00 H new ATOM 0 HD2 PRO A 114 15.536 -2.040 -12.511 1.00 0.00 H new ATOM 0 HD3 PRO A 114 14.576 -3.494 -12.693 1.00 0.00 H new ATOM 1623 N GLU A 115 17.983 -2.442 -9.940 1.00 0.00 N ATOM 1624 CA GLU A 115 19.101 -1.748 -9.311 1.00 0.00 C ATOM 1625 C GLU A 115 18.883 -1.619 -7.806 1.00 0.00 C ATOM 1626 O GLU A 115 19.830 -1.688 -7.022 1.00 0.00 O ATOM 1627 CB GLU A 115 19.284 -0.362 -9.932 1.00 0.00 C ATOM 1628 CG GLU A 115 18.308 0.676 -9.403 1.00 0.00 C ATOM 1629 CD GLU A 115 18.236 1.910 -10.281 1.00 0.00 C ATOM 1630 OE1 GLU A 115 19.298 2.508 -10.553 1.00 0.00 O ATOM 1631 OE2 GLU A 115 17.118 2.278 -10.697 1.00 0.00 O ATOM 0 H GLU A 115 17.407 -1.855 -10.543 1.00 0.00 H new ATOM 0 HA GLU A 115 20.003 -2.336 -9.481 1.00 0.00 H new ATOM 0 HB2 GLU A 115 20.302 -0.020 -9.744 1.00 0.00 H new ATOM 0 HB3 GLU A 115 19.168 -0.439 -11.013 1.00 0.00 H new ATOM 0 HG2 GLU A 115 17.316 0.231 -9.327 1.00 0.00 H new ATOM 0 HG3 GLU A 115 18.605 0.968 -8.396 1.00 0.00 H new ATOM 1638 N LEU A 116 17.629 -1.430 -7.410 1.00 0.00 N ATOM 1639 CA LEU A 116 17.285 -1.290 -5.999 1.00 0.00 C ATOM 1640 C LEU A 116 17.129 -2.656 -5.338 1.00 0.00 C ATOM 1641 O LEU A 116 17.447 -2.829 -4.161 1.00 0.00 O ATOM 1642 CB LEU A 116 15.993 -0.487 -5.846 1.00 0.00 C ATOM 1643 CG LEU A 116 16.009 0.927 -6.428 1.00 0.00 C ATOM 1644 CD1 LEU A 116 14.666 1.609 -6.212 1.00 0.00 C ATOM 1645 CD2 LEU A 116 17.131 1.747 -5.808 1.00 0.00 C ATOM 0 H LEU A 116 16.834 -1.370 -8.046 1.00 0.00 H new ATOM 0 HA LEU A 116 18.097 -0.758 -5.504 1.00 0.00 H new ATOM 0 HB2 LEU A 116 15.184 -1.044 -6.319 1.00 0.00 H new ATOM 0 HB3 LEU A 116 15.755 -0.419 -4.785 1.00 0.00 H new ATOM 0 HG LEU A 116 16.189 0.855 -7.501 1.00 0.00 H new ATOM 0 HD11 LEU A 116 14.696 2.614 -6.633 1.00 0.00 H new ATOM 0 HD12 LEU A 116 13.882 1.033 -6.704 1.00 0.00 H new ATOM 0 HD13 LEU A 116 14.456 1.669 -5.144 1.00 0.00 H new ATOM 0 HD21 LEU A 116 17.127 2.750 -6.234 1.00 0.00 H new ATOM 0 HD22 LEU A 116 16.983 1.810 -4.730 1.00 0.00 H new ATOM 0 HD23 LEU A 116 18.088 1.269 -6.015 1.00 0.00 H new ATOM 1657 N LEU A 117 16.640 -3.625 -6.104 1.00 0.00 N ATOM 1658 CA LEU A 117 16.444 -4.978 -5.594 1.00 0.00 C ATOM 1659 C LEU A 117 17.778 -5.623 -5.234 1.00 0.00 C ATOM 1660 O LEU A 117 17.883 -6.346 -4.244 1.00 0.00 O ATOM 1661 CB LEU A 117 15.713 -5.834 -6.631 1.00 0.00 C ATOM 1662 CG LEU A 117 14.257 -5.458 -6.906 1.00 0.00 C ATOM 1663 CD1 LEU A 117 13.821 -5.974 -8.268 1.00 0.00 C ATOM 1664 CD2 LEU A 117 13.350 -6.001 -5.812 1.00 0.00 C ATOM 0 H LEU A 117 16.372 -3.499 -7.080 1.00 0.00 H new ATOM 0 HA LEU A 117 15.837 -4.915 -4.691 1.00 0.00 H new ATOM 0 HB2 LEU A 117 16.264 -5.781 -7.570 1.00 0.00 H new ATOM 0 HB3 LEU A 117 15.743 -6.873 -6.302 1.00 0.00 H new ATOM 0 HG LEU A 117 14.177 -4.371 -6.910 1.00 0.00 H new ATOM 0 HD11 LEU A 117 12.782 -5.697 -8.446 1.00 0.00 H new ATOM 0 HD12 LEU A 117 14.451 -5.536 -9.042 1.00 0.00 H new ATOM 0 HD13 LEU A 117 13.917 -7.060 -8.293 1.00 0.00 H new ATOM 0 HD21 LEU A 117 12.317 -5.724 -6.024 1.00 0.00 H new ATOM 0 HD22 LEU A 117 13.434 -7.087 -5.776 1.00 0.00 H new ATOM 0 HD23 LEU A 117 13.648 -5.582 -4.851 1.00 0.00 H new ATOM 1676 N VAL A 118 18.797 -5.355 -6.045 1.00 0.00 N ATOM 1677 CA VAL A 118 20.126 -5.906 -5.810 1.00 0.00 C ATOM 1678 C VAL A 118 20.888 -5.083 -4.778 1.00 0.00 C ATOM 1679 O VAL A 118 20.901 -3.852 -4.815 1.00 0.00 O ATOM 1680 CB VAL A 118 20.947 -5.965 -7.112 1.00 0.00 C ATOM 1681 CG1 VAL A 118 21.011 -4.593 -7.766 1.00 0.00 C ATOM 1682 CG2 VAL A 118 22.345 -6.498 -6.836 1.00 0.00 C ATOM 0 H VAL A 118 18.727 -4.760 -6.870 1.00 0.00 H new ATOM 0 HA VAL A 118 19.986 -6.918 -5.431 1.00 0.00 H new ATOM 0 HB VAL A 118 20.452 -6.648 -7.803 1.00 0.00 H new ATOM 0 HG11 VAL A 118 21.595 -4.655 -8.684 1.00 0.00 H new ATOM 0 HG12 VAL A 118 20.002 -4.254 -8.000 1.00 0.00 H new ATOM 0 HG13 VAL A 118 21.482 -3.886 -7.083 1.00 0.00 H new ATOM 0 HG21 VAL A 118 22.911 -6.533 -7.767 1.00 0.00 H new ATOM 0 HG22 VAL A 118 22.851 -5.842 -6.128 1.00 0.00 H new ATOM 0 HG23 VAL A 118 22.275 -7.501 -6.416 1.00 0.00 H new