USER MOD reduce.3.24.130724 H: found=0, std=0, add=509, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 511 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 Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 GLN : amide:sc= -0.0431 K(o=-0.043,f=-1.2) USER MOD Single : A 42 THR OG1 : rot 158:sc= 1.24 USER MOD Single : A 53 THR OG1 : rot 40:sc= 0.102 USER MOD Single : A 56 ASN : amide:sc= -0.315! C(o=-0.31!,f=-6.5!) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 178:sc= 0.604 (180deg=0.501) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 GLN : amide:sc= -0.044 K(o=-0.044,f=-1.1!) USER MOD Single : A 78 GLN :FLIP amide:sc= 0 F(o=-0.86,f=0) USER MOD Single : A 82 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0491) USER MOD ----------------------------------------------------------------- ATOM 189 N ALA A 13 1.091 3.031 14.320 1.00 0.00 N ATOM 190 CA ALA A 13 2.307 3.184 13.469 1.00 0.00 C ATOM 191 C ALA A 13 3.261 2.008 13.694 1.00 0.00 C ATOM 192 O ALA A 13 2.844 0.910 14.006 1.00 0.00 O ATOM 193 CB ALA A 13 2.950 4.492 13.932 1.00 0.00 C ATOM 0 HA ALA A 13 2.069 3.200 12.406 1.00 0.00 H new ATOM 0 HB1 ALA A 13 3.854 4.678 13.353 1.00 0.00 H new ATOM 0 HB2 ALA A 13 2.249 5.314 13.785 1.00 0.00 H new ATOM 0 HB3 ALA A 13 3.205 4.418 14.989 1.00 0.00 H new ATOM 199 N GLY A 14 4.538 2.228 13.538 1.00 0.00 N ATOM 200 CA GLY A 14 5.514 1.122 13.743 1.00 0.00 C ATOM 201 C GLY A 14 6.741 1.351 12.860 1.00 0.00 C ATOM 202 O GLY A 14 7.286 2.436 12.804 1.00 0.00 O ATOM 0 H GLY A 14 4.947 3.125 13.278 1.00 0.00 H new ATOM 0 HA2 GLY A 14 5.811 1.075 14.791 1.00 0.00 H new ATOM 0 HA3 GLY A 14 5.052 0.165 13.500 1.00 0.00 H new ATOM 206 N GLU A 15 7.183 0.335 12.168 1.00 0.00 N ATOM 207 CA GLU A 15 8.377 0.495 11.289 1.00 0.00 C ATOM 208 C GLU A 15 7.945 0.646 9.828 1.00 0.00 C ATOM 209 O GLU A 15 7.135 -0.109 9.327 1.00 0.00 O ATOM 210 CB GLU A 15 9.181 -0.792 11.481 1.00 0.00 C ATOM 211 CG GLU A 15 10.480 -0.476 12.224 1.00 0.00 C ATOM 212 CD GLU A 15 11.509 0.083 11.241 1.00 0.00 C ATOM 213 OE1 GLU A 15 11.548 -0.395 10.120 1.00 0.00 O ATOM 214 OE2 GLU A 15 12.242 0.980 11.627 1.00 0.00 O ATOM 0 H GLU A 15 6.769 -0.597 12.173 1.00 0.00 H new ATOM 0 HA GLU A 15 8.959 1.382 11.539 1.00 0.00 H new ATOM 0 HB2 GLU A 15 8.595 -1.519 12.044 1.00 0.00 H new ATOM 0 HB3 GLU A 15 9.403 -1.242 10.514 1.00 0.00 H new ATOM 0 HG2 GLU A 15 10.290 0.246 13.018 1.00 0.00 H new ATOM 0 HG3 GLU A 15 10.868 -1.377 12.699 1.00 0.00 H new ATOM 221 N GLY A 16 8.483 1.616 9.139 1.00 0.00 N ATOM 222 CA GLY A 16 8.107 1.816 7.711 1.00 0.00 C ATOM 223 C GLY A 16 6.603 2.070 7.604 1.00 0.00 C ATOM 224 O GLY A 16 5.994 1.827 6.581 1.00 0.00 O ATOM 0 H GLY A 16 9.167 2.279 9.504 1.00 0.00 H new ATOM 0 HA2 GLY A 16 8.658 2.659 7.295 1.00 0.00 H new ATOM 0 HA3 GLY A 16 8.379 0.937 7.127 1.00 0.00 H new ATOM 228 N GLU A 17 5.997 2.559 8.651 1.00 0.00 N ATOM 229 CA GLU A 17 4.532 2.828 8.606 1.00 0.00 C ATOM 230 C GLU A 17 4.247 4.078 7.766 1.00 0.00 C ATOM 231 O GLU A 17 5.110 4.906 7.555 1.00 0.00 O ATOM 232 CB GLU A 17 4.124 3.055 10.064 1.00 0.00 C ATOM 233 CG GLU A 17 4.830 4.301 10.609 1.00 0.00 C ATOM 234 CD GLU A 17 3.843 5.470 10.666 1.00 0.00 C ATOM 235 OE1 GLU A 17 2.783 5.359 10.070 1.00 0.00 O ATOM 236 OE2 GLU A 17 4.163 6.459 11.306 1.00 0.00 O ATOM 0 H GLU A 17 6.453 2.784 9.535 1.00 0.00 H new ATOM 0 HA GLU A 17 3.976 2.008 8.151 1.00 0.00 H new ATOM 0 HB2 GLU A 17 3.043 3.177 10.135 1.00 0.00 H new ATOM 0 HB3 GLU A 17 4.386 2.184 10.665 1.00 0.00 H new ATOM 0 HG2 GLU A 17 5.228 4.100 11.604 1.00 0.00 H new ATOM 0 HG3 GLU A 17 5.677 4.558 9.973 1.00 0.00 H new ATOM 243 N ILE A 18 3.042 4.219 7.286 1.00 0.00 N ATOM 244 CA ILE A 18 2.699 5.414 6.463 1.00 0.00 C ATOM 245 C ILE A 18 1.399 6.048 6.976 1.00 0.00 C ATOM 246 O ILE A 18 0.321 5.578 6.670 1.00 0.00 O ATOM 247 CB ILE A 18 2.514 4.875 5.045 1.00 0.00 C ATOM 248 CG1 ILE A 18 3.786 4.141 4.612 1.00 0.00 C ATOM 249 CG2 ILE A 18 2.247 6.037 4.087 1.00 0.00 C ATOM 250 CD1 ILE A 18 3.565 3.491 3.245 1.00 0.00 C ATOM 0 H ILE A 18 2.279 3.557 7.428 1.00 0.00 H new ATOM 0 HA ILE A 18 3.468 6.186 6.506 1.00 0.00 H new ATOM 0 HB ILE A 18 1.669 4.187 5.025 1.00 0.00 H new ATOM 0 HG12 ILE A 18 4.622 4.839 4.563 1.00 0.00 H new ATOM 0 HG13 ILE A 18 4.048 3.382 5.349 1.00 0.00 H new ATOM 0 HG21 ILE A 18 2.115 5.652 3.076 1.00 0.00 H new ATOM 0 HG22 ILE A 18 1.344 6.563 4.396 1.00 0.00 H new ATOM 0 HG23 ILE A 18 3.092 6.725 4.106 1.00 0.00 H new ATOM 0 HD11 ILE A 18 4.472 2.969 2.939 1.00 0.00 H new ATOM 0 HD12 ILE A 18 2.741 2.780 3.309 1.00 0.00 H new ATOM 0 HD13 ILE A 18 3.324 4.260 2.511 1.00 0.00 H new ATOM 262 N PRO A 19 1.543 7.096 7.751 1.00 0.00 N ATOM 263 CA PRO A 19 0.357 7.788 8.314 1.00 0.00 C ATOM 264 C PRO A 19 -0.362 8.595 7.229 1.00 0.00 C ATOM 265 O PRO A 19 0.245 9.360 6.505 1.00 0.00 O ATOM 266 CB PRO A 19 0.950 8.713 9.372 1.00 0.00 C ATOM 267 CG PRO A 19 2.361 8.950 8.936 1.00 0.00 C ATOM 268 CD PRO A 19 2.801 7.730 8.172 1.00 0.00 C ATOM 0 HA PRO A 19 -0.384 7.100 8.721 1.00 0.00 H new ATOM 0 HB2 PRO A 19 0.394 9.649 9.434 1.00 0.00 H new ATOM 0 HB3 PRO A 19 0.914 8.255 10.361 1.00 0.00 H new ATOM 0 HG2 PRO A 19 2.426 9.840 8.310 1.00 0.00 H new ATOM 0 HG3 PRO A 19 3.007 9.118 9.798 1.00 0.00 H new ATOM 0 HD2 PRO A 19 3.418 7.998 7.315 1.00 0.00 H new ATOM 0 HD3 PRO A 19 3.395 7.062 8.796 1.00 0.00 H new ATOM 276 N ALA A 20 -1.652 8.433 7.116 1.00 0.00 N ATOM 277 CA ALA A 20 -2.412 9.193 6.083 1.00 0.00 C ATOM 278 C ALA A 20 -2.605 10.647 6.541 1.00 0.00 C ATOM 279 O ALA A 20 -3.288 10.897 7.513 1.00 0.00 O ATOM 280 CB ALA A 20 -3.761 8.481 5.985 1.00 0.00 C ATOM 0 H ALA A 20 -2.213 7.807 7.694 1.00 0.00 H new ATOM 0 HA ALA A 20 -1.896 9.223 5.123 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -4.383 8.981 5.242 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -3.604 7.444 5.688 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -4.259 8.510 6.954 1.00 0.00 H new ATOM 286 N PRO A 21 -1.995 11.566 5.829 1.00 0.00 N ATOM 287 CA PRO A 21 -2.113 13.000 6.193 1.00 0.00 C ATOM 288 C PRO A 21 -3.513 13.529 5.861 1.00 0.00 C ATOM 289 O PRO A 21 -3.934 14.552 6.366 1.00 0.00 O ATOM 290 CB PRO A 21 -1.055 13.680 5.329 1.00 0.00 C ATOM 291 CG PRO A 21 -0.863 12.767 4.161 1.00 0.00 C ATOM 292 CD PRO A 21 -1.150 11.368 4.641 1.00 0.00 C ATOM 0 HA PRO A 21 -1.968 13.182 7.258 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -1.384 14.668 5.007 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -0.124 13.817 5.880 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -1.532 13.039 3.345 1.00 0.00 H new ATOM 0 HG3 PRO A 21 0.154 12.841 3.777 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -1.664 10.782 3.879 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -0.232 10.835 4.888 1.00 0.00 H new ATOM 300 N LEU A 22 -4.236 12.846 5.017 1.00 0.00 N ATOM 301 CA LEU A 22 -5.605 13.318 4.660 1.00 0.00 C ATOM 302 C LEU A 22 -6.656 12.266 5.034 1.00 0.00 C ATOM 303 O LEU A 22 -7.812 12.381 4.679 1.00 0.00 O ATOM 304 CB LEU A 22 -5.569 13.521 3.145 1.00 0.00 C ATOM 305 CG LEU A 22 -4.777 14.788 2.816 1.00 0.00 C ATOM 306 CD1 LEU A 22 -4.385 14.774 1.337 1.00 0.00 C ATOM 307 CD2 LEU A 22 -5.642 16.017 3.103 1.00 0.00 C ATOM 0 H LEU A 22 -3.940 11.984 4.560 1.00 0.00 H new ATOM 0 HA LEU A 22 -5.874 14.230 5.192 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -5.110 12.658 2.663 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -6.583 13.602 2.755 1.00 0.00 H new ATOM 0 HG LEU A 22 -3.877 14.825 3.430 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -3.821 15.676 1.102 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -3.770 13.898 1.132 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -5.285 14.738 0.722 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -5.079 16.921 2.869 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -6.541 15.980 2.488 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -5.922 16.027 4.156 1.00 0.00 H new ATOM 319 N ALA A 23 -6.270 11.241 5.749 1.00 0.00 N ATOM 320 CA ALA A 23 -7.256 10.191 6.141 1.00 0.00 C ATOM 321 C ALA A 23 -8.019 9.689 4.911 1.00 0.00 C ATOM 322 O ALA A 23 -7.507 9.687 3.809 1.00 0.00 O ATOM 323 CB ALA A 23 -8.206 10.886 7.116 1.00 0.00 C ATOM 0 H ALA A 23 -5.317 11.086 6.078 1.00 0.00 H new ATOM 0 HA ALA A 23 -6.775 9.321 6.589 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -8.964 10.178 7.452 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -7.643 11.250 7.975 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -8.690 11.726 6.617 1.00 0.00 H new ATOM 329 N GLY A 24 -9.239 9.264 5.092 1.00 0.00 N ATOM 330 CA GLY A 24 -10.034 8.763 3.934 1.00 0.00 C ATOM 331 C GLY A 24 -10.868 7.559 4.373 1.00 0.00 C ATOM 332 O GLY A 24 -10.780 7.109 5.498 1.00 0.00 O ATOM 0 H GLY A 24 -9.720 9.242 5.991 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -10.685 9.552 3.557 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -9.369 8.481 3.117 1.00 0.00 H new ATOM 336 N THR A 25 -11.678 7.034 3.495 1.00 0.00 N ATOM 337 CA THR A 25 -12.515 5.857 3.867 1.00 0.00 C ATOM 338 C THR A 25 -12.207 4.681 2.938 1.00 0.00 C ATOM 339 O THR A 25 -12.552 4.689 1.773 1.00 0.00 O ATOM 340 CB THR A 25 -13.965 6.319 3.689 1.00 0.00 C ATOM 341 OG1 THR A 25 -14.054 7.717 3.935 1.00 0.00 O ATOM 342 CG2 THR A 25 -14.864 5.571 4.674 1.00 0.00 C ATOM 0 H THR A 25 -11.797 7.368 2.538 1.00 0.00 H new ATOM 0 HA THR A 25 -12.323 5.520 4.885 1.00 0.00 H new ATOM 0 HB THR A 25 -14.288 6.109 2.669 1.00 0.00 H new ATOM 0 HG1 THR A 25 -14.982 8.011 3.819 1.00 0.00 H new ATOM 0 HG21 THR A 25 -15.895 5.900 4.547 1.00 0.00 H new ATOM 0 HG22 THR A 25 -14.799 4.500 4.485 1.00 0.00 H new ATOM 0 HG23 THR A 25 -14.539 5.780 5.693 1.00 0.00 H new ATOM 350 N VAL A 26 -11.556 3.669 3.444 1.00 0.00 N ATOM 351 CA VAL A 26 -11.220 2.492 2.590 1.00 0.00 C ATOM 352 C VAL A 26 -12.501 1.821 2.089 1.00 0.00 C ATOM 353 O VAL A 26 -13.445 1.632 2.830 1.00 0.00 O ATOM 354 CB VAL A 26 -10.440 1.543 3.503 1.00 0.00 C ATOM 355 CG1 VAL A 26 -9.903 0.371 2.680 1.00 0.00 C ATOM 356 CG2 VAL A 26 -9.268 2.292 4.143 1.00 0.00 C ATOM 0 H VAL A 26 -11.242 3.606 4.412 1.00 0.00 H new ATOM 0 HA VAL A 26 -10.642 2.774 1.710 1.00 0.00 H new ATOM 0 HB VAL A 26 -11.102 1.169 4.284 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -9.347 -0.305 3.330 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -10.735 -0.165 2.225 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -9.243 0.747 1.898 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -8.714 1.614 4.793 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -8.607 2.668 3.362 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -9.648 3.128 4.730 1.00 0.00 H new ATOM 366 N SER A 27 -12.542 1.458 0.836 1.00 0.00 N ATOM 367 CA SER A 27 -13.764 0.799 0.291 1.00 0.00 C ATOM 368 C SER A 27 -13.445 -0.636 -0.140 1.00 0.00 C ATOM 369 O SER A 27 -14.224 -1.545 0.070 1.00 0.00 O ATOM 370 CB SER A 27 -14.166 1.645 -0.916 1.00 0.00 C ATOM 371 OG SER A 27 -15.463 2.188 -0.697 1.00 0.00 O ATOM 0 H SER A 27 -11.784 1.589 0.167 1.00 0.00 H new ATOM 0 HA SER A 27 -14.563 0.737 1.029 1.00 0.00 H new ATOM 0 HB2 SER A 27 -13.444 2.447 -1.069 1.00 0.00 H new ATOM 0 HB3 SER A 27 -14.162 1.036 -1.820 1.00 0.00 H new ATOM 0 HG SER A 27 -15.724 2.733 -1.469 1.00 0.00 H new ATOM 377 N LYS A 28 -12.306 -0.847 -0.742 1.00 0.00 N ATOM 378 CA LYS A 28 -11.943 -2.224 -1.184 1.00 0.00 C ATOM 379 C LYS A 28 -10.435 -2.319 -1.435 1.00 0.00 C ATOM 380 O LYS A 28 -9.829 -1.417 -1.975 1.00 0.00 O ATOM 381 CB LYS A 28 -12.717 -2.438 -2.486 1.00 0.00 C ATOM 382 CG LYS A 28 -13.541 -3.722 -2.387 1.00 0.00 C ATOM 383 CD LYS A 28 -12.909 -4.804 -3.267 1.00 0.00 C ATOM 384 CE LYS A 28 -13.634 -4.856 -4.614 1.00 0.00 C ATOM 385 NZ LYS A 28 -13.726 -6.305 -4.946 1.00 0.00 N ATOM 0 H LYS A 28 -11.613 -0.127 -0.947 1.00 0.00 H new ATOM 0 HA LYS A 28 -12.188 -2.977 -0.435 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -13.372 -1.587 -2.676 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -12.025 -2.502 -3.326 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -13.584 -4.060 -1.352 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -14.567 -3.534 -2.704 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -11.851 -4.591 -3.420 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -12.971 -5.773 -2.771 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -14.623 -4.403 -4.548 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -13.084 -4.310 -5.380 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -14.212 -6.422 -5.858 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -12.769 -6.708 -5.009 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -14.261 -6.798 -4.203 1.00 0.00 H new ATOM 399 N ILE A 29 -9.827 -3.408 -1.047 1.00 0.00 N ATOM 400 CA ILE A 29 -8.359 -3.559 -1.265 1.00 0.00 C ATOM 401 C ILE A 29 -8.084 -4.017 -2.700 1.00 0.00 C ATOM 402 O ILE A 29 -8.877 -4.715 -3.302 1.00 0.00 O ATOM 403 CB ILE A 29 -7.919 -4.632 -0.270 1.00 0.00 C ATOM 404 CG1 ILE A 29 -6.415 -4.869 -0.411 1.00 0.00 C ATOM 405 CG2 ILE A 29 -8.667 -5.935 -0.559 1.00 0.00 C ATOM 406 CD1 ILE A 29 -5.969 -5.930 0.598 1.00 0.00 C ATOM 0 H ILE A 29 -10.282 -4.198 -0.590 1.00 0.00 H new ATOM 0 HA ILE A 29 -7.821 -2.622 -1.119 1.00 0.00 H new ATOM 0 HB ILE A 29 -8.144 -4.301 0.744 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -6.181 -5.194 -1.425 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -5.872 -3.939 -0.241 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -8.353 -6.700 0.151 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -9.740 -5.768 -0.461 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -8.442 -6.266 -1.573 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -4.897 -6.099 0.498 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -6.189 -5.586 1.609 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -6.503 -6.861 0.407 1.00 0.00 H new ATOM 418 N LEU A 30 -6.968 -3.630 -3.253 1.00 0.00 N ATOM 419 CA LEU A 30 -6.647 -4.044 -4.650 1.00 0.00 C ATOM 420 C LEU A 30 -5.576 -5.138 -4.643 1.00 0.00 C ATOM 421 O LEU A 30 -5.686 -6.130 -5.335 1.00 0.00 O ATOM 422 CB LEU A 30 -6.120 -2.779 -5.328 1.00 0.00 C ATOM 423 CG LEU A 30 -6.872 -2.554 -6.641 1.00 0.00 C ATOM 424 CD1 LEU A 30 -6.659 -3.756 -7.563 1.00 0.00 C ATOM 425 CD2 LEU A 30 -8.365 -2.388 -6.352 1.00 0.00 C ATOM 0 H LEU A 30 -6.265 -3.046 -2.800 1.00 0.00 H new ATOM 0 HA LEU A 30 -7.514 -4.452 -5.170 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -6.250 -1.920 -4.670 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -5.051 -2.875 -5.520 1.00 0.00 H new ATOM 0 HG LEU A 30 -6.495 -1.654 -7.126 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -7.195 -3.596 -8.499 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -5.595 -3.872 -7.769 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -7.035 -4.657 -7.079 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -8.901 -2.228 -7.287 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -8.744 -3.287 -5.866 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -8.515 -1.531 -5.696 1.00 0.00 H new ATOM 437 N VAL A 31 -4.540 -4.967 -3.867 1.00 0.00 N ATOM 438 CA VAL A 31 -3.465 -6.003 -3.823 1.00 0.00 C ATOM 439 C VAL A 31 -3.607 -6.865 -2.565 1.00 0.00 C ATOM 440 O VAL A 31 -4.667 -6.953 -1.977 1.00 0.00 O ATOM 441 CB VAL A 31 -2.153 -5.216 -3.790 1.00 0.00 C ATOM 442 CG1 VAL A 31 -2.074 -4.307 -5.016 1.00 0.00 C ATOM 443 CG2 VAL A 31 -2.095 -4.365 -2.519 1.00 0.00 C ATOM 0 H VAL A 31 -4.391 -4.159 -3.263 1.00 0.00 H new ATOM 0 HA VAL A 31 -3.512 -6.680 -4.676 1.00 0.00 H new ATOM 0 HB VAL A 31 -1.314 -5.912 -3.797 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -1.140 -3.746 -4.993 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -2.112 -4.913 -5.921 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -2.914 -3.613 -5.009 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -1.160 -3.806 -2.498 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -2.934 -3.669 -2.508 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -2.150 -5.013 -1.644 1.00 0.00 H new ATOM 453 N LYS A 32 -2.546 -7.500 -2.148 1.00 0.00 N ATOM 454 CA LYS A 32 -2.615 -8.354 -0.927 1.00 0.00 C ATOM 455 C LYS A 32 -1.263 -8.355 -0.210 1.00 0.00 C ATOM 456 O LYS A 32 -0.317 -7.732 -0.648 1.00 0.00 O ATOM 457 CB LYS A 32 -2.952 -9.755 -1.440 1.00 0.00 C ATOM 458 CG LYS A 32 -4.472 -9.914 -1.533 1.00 0.00 C ATOM 459 CD LYS A 32 -4.857 -11.353 -1.182 1.00 0.00 C ATOM 460 CE LYS A 32 -4.752 -12.229 -2.433 1.00 0.00 C ATOM 461 NZ LYS A 32 -4.282 -13.553 -1.937 1.00 0.00 N ATOM 0 H LYS A 32 -1.633 -7.465 -2.601 1.00 0.00 H new ATOM 0 HA LYS A 32 -3.355 -7.995 -0.212 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -2.499 -9.914 -2.418 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -2.537 -10.508 -0.770 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -4.963 -9.219 -0.853 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -4.813 -9.670 -2.539 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -4.201 -11.736 -0.401 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -5.873 -11.383 -0.788 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -5.715 -12.315 -2.937 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -4.052 -11.806 -3.154 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -4.186 -14.209 -2.738 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -3.360 -13.441 -1.468 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -4.972 -13.934 -1.258 1.00 0.00 H new ATOM 475 N GLU A 33 -1.164 -9.048 0.891 1.00 0.00 N ATOM 476 CA GLU A 33 0.128 -9.085 1.635 1.00 0.00 C ATOM 477 C GLU A 33 1.181 -9.852 0.832 1.00 0.00 C ATOM 478 O GLU A 33 0.874 -10.794 0.128 1.00 0.00 O ATOM 479 CB GLU A 33 -0.186 -9.815 2.941 1.00 0.00 C ATOM 480 CG GLU A 33 0.129 -8.901 4.128 1.00 0.00 C ATOM 481 CD GLU A 33 -0.698 -9.328 5.344 1.00 0.00 C ATOM 482 OE1 GLU A 33 -1.275 -10.403 5.299 1.00 0.00 O ATOM 483 OE2 GLU A 33 -0.742 -8.572 6.300 1.00 0.00 O ATOM 0 H GLU A 33 -1.921 -9.590 1.308 1.00 0.00 H new ATOM 0 HA GLU A 33 0.529 -8.087 1.812 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -1.236 -10.107 2.963 1.00 0.00 H new ATOM 0 HB3 GLU A 33 0.401 -10.731 3.008 1.00 0.00 H new ATOM 0 HG2 GLU A 33 1.192 -8.949 4.364 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -0.093 -7.865 3.871 1.00 0.00 H new ATOM 490 N GLY A 34 2.420 -9.456 0.931 1.00 0.00 N ATOM 491 CA GLY A 34 3.491 -10.163 0.174 1.00 0.00 C ATOM 492 C GLY A 34 3.564 -9.628 -1.262 1.00 0.00 C ATOM 493 O GLY A 34 4.401 -10.040 -2.040 1.00 0.00 O ATOM 0 H GLY A 34 2.737 -8.673 1.503 1.00 0.00 H new ATOM 0 HA2 GLY A 34 4.451 -10.024 0.671 1.00 0.00 H new ATOM 0 HA3 GLY A 34 3.291 -11.234 0.161 1.00 0.00 H new ATOM 497 N ASP A 35 2.699 -8.716 -1.624 1.00 0.00 N ATOM 498 CA ASP A 35 2.737 -8.168 -3.009 1.00 0.00 C ATOM 499 C ASP A 35 3.728 -7.005 -3.089 1.00 0.00 C ATOM 500 O ASP A 35 3.898 -6.257 -2.146 1.00 0.00 O ATOM 501 CB ASP A 35 1.315 -7.680 -3.283 1.00 0.00 C ATOM 502 CG ASP A 35 0.904 -8.067 -4.704 1.00 0.00 C ATOM 503 OD1 ASP A 35 1.733 -7.949 -5.591 1.00 0.00 O ATOM 504 OD2 ASP A 35 -0.232 -8.476 -4.882 1.00 0.00 O ATOM 0 H ASP A 35 1.972 -8.330 -1.022 1.00 0.00 H new ATOM 0 HA ASP A 35 3.059 -8.911 -3.738 1.00 0.00 H new ATOM 0 HB2 ASP A 35 0.624 -8.118 -2.562 1.00 0.00 H new ATOM 0 HB3 ASP A 35 1.261 -6.598 -3.160 1.00 0.00 H new ATOM 509 N THR A 36 4.382 -6.847 -4.204 1.00 0.00 N ATOM 510 CA THR A 36 5.361 -5.731 -4.339 1.00 0.00 C ATOM 511 C THR A 36 4.710 -4.545 -5.057 1.00 0.00 C ATOM 512 O THR A 36 4.478 -4.580 -6.248 1.00 0.00 O ATOM 513 CB THR A 36 6.505 -6.307 -5.174 1.00 0.00 C ATOM 514 OG1 THR A 36 7.075 -7.413 -4.490 1.00 0.00 O ATOM 515 CG2 THR A 36 7.573 -5.234 -5.393 1.00 0.00 C ATOM 0 H THR A 36 4.282 -7.441 -5.028 1.00 0.00 H new ATOM 0 HA THR A 36 5.709 -5.364 -3.373 1.00 0.00 H new ATOM 0 HB THR A 36 6.121 -6.634 -6.140 1.00 0.00 H new ATOM 0 HG1 THR A 36 7.808 -7.785 -5.024 1.00 0.00 H new ATOM 0 HG21 THR A 36 8.387 -5.647 -5.988 1.00 0.00 H new ATOM 0 HG22 THR A 36 7.134 -4.385 -5.918 1.00 0.00 H new ATOM 0 HG23 THR A 36 7.960 -4.904 -4.429 1.00 0.00 H new ATOM 523 N VAL A 37 4.417 -3.494 -4.340 1.00 0.00 N ATOM 524 CA VAL A 37 3.781 -2.308 -4.982 1.00 0.00 C ATOM 525 C VAL A 37 4.844 -1.451 -5.671 1.00 0.00 C ATOM 526 O VAL A 37 6.013 -1.519 -5.351 1.00 0.00 O ATOM 527 CB VAL A 37 3.129 -1.534 -3.834 1.00 0.00 C ATOM 528 CG1 VAL A 37 2.107 -2.429 -3.130 1.00 0.00 C ATOM 529 CG2 VAL A 37 4.203 -1.101 -2.834 1.00 0.00 C ATOM 0 H VAL A 37 4.590 -3.405 -3.339 1.00 0.00 H new ATOM 0 HA VAL A 37 3.055 -2.591 -5.744 1.00 0.00 H new ATOM 0 HB VAL A 37 2.627 -0.652 -4.231 1.00 0.00 H new ATOM 0 HG11 VAL A 37 1.643 -1.878 -2.312 1.00 0.00 H new ATOM 0 HG12 VAL A 37 1.341 -2.736 -3.842 1.00 0.00 H new ATOM 0 HG13 VAL A 37 2.609 -3.312 -2.734 1.00 0.00 H new ATOM 0 HG21 VAL A 37 3.738 -0.550 -2.017 1.00 0.00 H new ATOM 0 HG22 VAL A 37 4.707 -1.982 -2.437 1.00 0.00 H new ATOM 0 HG23 VAL A 37 4.930 -0.462 -3.335 1.00 0.00 H new ATOM 539 N LYS A 38 4.446 -0.645 -6.617 1.00 0.00 N ATOM 540 CA LYS A 38 5.435 0.215 -7.326 1.00 0.00 C ATOM 541 C LYS A 38 5.025 1.686 -7.220 1.00 0.00 C ATOM 542 O LYS A 38 3.868 2.006 -7.035 1.00 0.00 O ATOM 543 CB LYS A 38 5.392 -0.251 -8.781 1.00 0.00 C ATOM 544 CG LYS A 38 6.793 -0.680 -9.222 1.00 0.00 C ATOM 545 CD LYS A 38 6.763 -1.088 -10.697 1.00 0.00 C ATOM 546 CE LYS A 38 7.834 -2.149 -10.954 1.00 0.00 C ATOM 547 NZ LYS A 38 7.155 -3.451 -10.702 1.00 0.00 N ATOM 0 H LYS A 38 3.480 -0.545 -6.929 1.00 0.00 H new ATOM 0 HA LYS A 38 6.436 0.133 -6.902 1.00 0.00 H new ATOM 0 HB2 LYS A 38 4.695 -1.083 -8.887 1.00 0.00 H new ATOM 0 HB3 LYS A 38 5.028 0.553 -9.421 1.00 0.00 H new ATOM 0 HG2 LYS A 38 7.498 0.138 -9.074 1.00 0.00 H new ATOM 0 HG3 LYS A 38 7.139 -1.513 -8.610 1.00 0.00 H new ATOM 0 HD2 LYS A 38 5.779 -1.478 -10.957 1.00 0.00 H new ATOM 0 HD3 LYS A 38 6.938 -0.218 -11.330 1.00 0.00 H new ATOM 0 HE2 LYS A 38 8.210 -2.091 -11.976 1.00 0.00 H new ATOM 0 HE3 LYS A 38 8.689 -2.015 -10.292 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 7.827 -4.229 -10.858 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 6.814 -3.480 -9.720 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 6.349 -3.554 -11.352 1.00 0.00 H new ATOM 561 N ALA A 39 5.965 2.582 -7.332 1.00 0.00 N ATOM 562 CA ALA A 39 5.627 4.031 -7.235 1.00 0.00 C ATOM 563 C ALA A 39 4.639 4.422 -8.335 1.00 0.00 C ATOM 564 O ALA A 39 4.980 4.478 -9.500 1.00 0.00 O ATOM 565 CB ALA A 39 6.958 4.761 -7.423 1.00 0.00 C ATOM 0 H ALA A 39 6.952 2.375 -7.486 1.00 0.00 H new ATOM 0 HA ALA A 39 5.155 4.281 -6.285 1.00 0.00 H new ATOM 0 HB1 ALA A 39 6.794 5.837 -7.365 1.00 0.00 H new ATOM 0 HB2 ALA A 39 7.653 4.457 -6.641 1.00 0.00 H new ATOM 0 HB3 ALA A 39 7.376 4.510 -8.398 1.00 0.00 H new ATOM 571 N GLY A 40 3.417 4.699 -7.970 1.00 0.00 N ATOM 572 CA GLY A 40 2.406 5.092 -8.993 1.00 0.00 C ATOM 573 C GLY A 40 1.577 3.871 -9.394 1.00 0.00 C ATOM 574 O GLY A 40 1.170 3.733 -10.530 1.00 0.00 O ATOM 0 H GLY A 40 3.075 4.670 -7.009 1.00 0.00 H new ATOM 0 HA2 GLY A 40 1.755 5.871 -8.595 1.00 0.00 H new ATOM 0 HA3 GLY A 40 2.904 5.509 -9.868 1.00 0.00 H new ATOM 578 N GLN A 41 1.323 2.984 -8.472 1.00 0.00 N ATOM 579 CA GLN A 41 0.519 1.773 -8.806 1.00 0.00 C ATOM 580 C GLN A 41 -0.680 1.661 -7.861 1.00 0.00 C ATOM 581 O GLN A 41 -0.527 1.463 -6.672 1.00 0.00 O ATOM 582 CB GLN A 41 1.472 0.596 -8.605 1.00 0.00 C ATOM 583 CG GLN A 41 0.836 -0.678 -9.167 1.00 0.00 C ATOM 584 CD GLN A 41 1.382 -1.896 -8.420 1.00 0.00 C ATOM 585 OE1 GLN A 41 2.516 -2.283 -8.613 1.00 0.00 O ATOM 586 NE2 GLN A 41 0.615 -2.520 -7.569 1.00 0.00 N ATOM 0 H GLN A 41 1.636 3.044 -7.503 1.00 0.00 H new ATOM 0 HA GLN A 41 0.123 1.806 -9.821 1.00 0.00 H new ATOM 0 HB2 GLN A 41 2.420 0.793 -9.105 1.00 0.00 H new ATOM 0 HB3 GLN A 41 1.691 0.469 -7.545 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -0.248 -0.631 -9.064 1.00 0.00 H new ATOM 0 HG3 GLN A 41 1.052 -0.765 -10.232 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -0.338 -2.194 -7.407 1.00 0.00 H new ATOM 0 HE22 GLN A 41 0.968 -3.334 -7.065 1.00 0.00 H new ATOM 595 N THR A 42 -1.873 1.784 -8.379 1.00 0.00 N ATOM 596 CA THR A 42 -3.082 1.683 -7.507 1.00 0.00 C ATOM 597 C THR A 42 -2.999 0.438 -6.622 1.00 0.00 C ATOM 598 O THR A 42 -3.030 -0.679 -7.099 1.00 0.00 O ATOM 599 CB THR A 42 -4.263 1.576 -8.472 1.00 0.00 C ATOM 600 OG1 THR A 42 -4.336 2.755 -9.261 1.00 0.00 O ATOM 601 CG2 THR A 42 -5.558 1.410 -7.677 1.00 0.00 C ATOM 0 H THR A 42 -2.064 1.950 -9.367 1.00 0.00 H new ATOM 0 HA THR A 42 -3.177 2.539 -6.839 1.00 0.00 H new ATOM 0 HB THR A 42 -4.125 0.712 -9.122 1.00 0.00 H new ATOM 0 HG1 THR A 42 -4.828 2.566 -10.087 1.00 0.00 H new ATOM 0 HG21 THR A 42 -6.400 1.334 -8.365 1.00 0.00 H new ATOM 0 HG22 THR A 42 -5.500 0.505 -7.072 1.00 0.00 H new ATOM 0 HG23 THR A 42 -5.698 2.273 -7.026 1.00 0.00 H new ATOM 609 N VAL A 43 -2.886 0.624 -5.336 1.00 0.00 N ATOM 610 CA VAL A 43 -2.794 -0.545 -4.419 1.00 0.00 C ATOM 611 C VAL A 43 -4.090 -0.707 -3.620 1.00 0.00 C ATOM 612 O VAL A 43 -4.433 -1.795 -3.199 1.00 0.00 O ATOM 613 CB VAL A 43 -1.625 -0.221 -3.485 1.00 0.00 C ATOM 614 CG1 VAL A 43 -1.938 1.044 -2.684 1.00 0.00 C ATOM 615 CG2 VAL A 43 -1.405 -1.389 -2.521 1.00 0.00 C ATOM 0 H VAL A 43 -2.853 1.536 -4.881 1.00 0.00 H new ATOM 0 HA VAL A 43 -2.642 -1.479 -4.960 1.00 0.00 H new ATOM 0 HB VAL A 43 -0.725 -0.060 -4.078 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -1.103 1.271 -2.021 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -2.095 1.878 -3.368 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -2.839 0.886 -2.092 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -0.573 -1.160 -1.855 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -2.308 -1.549 -1.931 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -1.177 -2.291 -3.089 1.00 0.00 H new ATOM 625 N LEU A 44 -4.812 0.362 -3.400 1.00 0.00 N ATOM 626 CA LEU A 44 -6.078 0.240 -2.614 1.00 0.00 C ATOM 627 C LEU A 44 -7.165 1.166 -3.169 1.00 0.00 C ATOM 628 O LEU A 44 -6.936 1.944 -4.073 1.00 0.00 O ATOM 629 CB LEU A 44 -5.700 0.660 -1.194 1.00 0.00 C ATOM 630 CG LEU A 44 -5.313 -0.578 -0.380 1.00 0.00 C ATOM 631 CD1 LEU A 44 -3.854 -0.463 0.070 1.00 0.00 C ATOM 632 CD2 LEU A 44 -6.217 -0.683 0.849 1.00 0.00 C ATOM 0 H LEU A 44 -4.585 1.302 -3.725 1.00 0.00 H new ATOM 0 HA LEU A 44 -6.483 -0.771 -2.657 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -4.869 1.365 -1.221 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -6.537 1.173 -0.720 1.00 0.00 H new ATOM 0 HG LEU A 44 -5.432 -1.468 -0.998 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -3.581 -1.345 0.649 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -3.208 -0.389 -0.805 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -3.733 0.428 0.687 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -5.942 -1.564 1.429 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -6.098 0.208 1.465 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -7.256 -0.768 0.530 1.00 0.00 H new ATOM 644 N VAL A 45 -8.351 1.084 -2.623 1.00 0.00 N ATOM 645 CA VAL A 45 -9.464 1.955 -3.101 1.00 0.00 C ATOM 646 C VAL A 45 -9.908 2.897 -1.980 1.00 0.00 C ATOM 647 O VAL A 45 -9.945 2.524 -0.824 1.00 0.00 O ATOM 648 CB VAL A 45 -10.593 0.993 -3.473 1.00 0.00 C ATOM 649 CG1 VAL A 45 -11.792 1.790 -3.994 1.00 0.00 C ATOM 650 CG2 VAL A 45 -10.108 0.034 -4.561 1.00 0.00 C ATOM 0 H VAL A 45 -8.596 0.449 -1.864 1.00 0.00 H new ATOM 0 HA VAL A 45 -9.169 2.578 -3.946 1.00 0.00 H new ATOM 0 HB VAL A 45 -10.890 0.424 -2.592 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -12.597 1.105 -4.259 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -12.138 2.474 -3.219 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -11.495 2.359 -4.875 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -10.912 -0.652 -4.826 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -9.811 0.603 -5.442 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -9.254 -0.534 -4.191 1.00 0.00 H new ATOM 660 N LEU A 46 -10.243 4.117 -2.306 1.00 0.00 N ATOM 661 CA LEU A 46 -10.679 5.072 -1.244 1.00 0.00 C ATOM 662 C LEU A 46 -11.932 5.836 -1.683 1.00 0.00 C ATOM 663 O LEU A 46 -12.235 5.935 -2.856 1.00 0.00 O ATOM 664 CB LEU A 46 -9.502 6.031 -1.073 1.00 0.00 C ATOM 665 CG LEU A 46 -9.741 6.922 0.147 1.00 0.00 C ATOM 666 CD1 LEU A 46 -9.566 6.096 1.422 1.00 0.00 C ATOM 667 CD2 LEU A 46 -8.734 8.073 0.141 1.00 0.00 C ATOM 0 H LEU A 46 -10.234 4.492 -3.254 1.00 0.00 H new ATOM 0 HA LEU A 46 -10.935 4.562 -0.316 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -8.576 5.469 -0.950 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -9.386 6.644 -1.967 1.00 0.00 H new ATOM 0 HG LEU A 46 -10.753 7.325 0.112 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -9.736 6.730 2.292 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -10.283 5.275 1.425 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -8.554 5.693 1.459 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -8.903 8.709 1.010 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -7.722 7.671 0.177 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -8.859 8.661 -0.768 1.00 0.00 H new ATOM 679 N GLU A 47 -12.660 6.378 -0.744 1.00 0.00 N ATOM 680 CA GLU A 47 -13.893 7.139 -1.095 1.00 0.00 C ATOM 681 C GLU A 47 -14.204 8.165 -0.001 1.00 0.00 C ATOM 682 O GLU A 47 -15.131 8.005 0.769 1.00 0.00 O ATOM 683 CB GLU A 47 -14.999 6.087 -1.174 1.00 0.00 C ATOM 684 CG GLU A 47 -16.245 6.701 -1.816 1.00 0.00 C ATOM 685 CD GLU A 47 -17.323 5.626 -1.969 1.00 0.00 C ATOM 686 OE1 GLU A 47 -17.043 4.618 -2.597 1.00 0.00 O ATOM 687 OE2 GLU A 47 -18.412 5.829 -1.457 1.00 0.00 O ATOM 0 H GLU A 47 -12.453 6.326 0.253 1.00 0.00 H new ATOM 0 HA GLU A 47 -13.789 7.690 -2.030 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -14.660 5.232 -1.758 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -15.236 5.718 -0.176 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -16.618 7.520 -1.201 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -15.995 7.122 -2.790 1.00 0.00 H new ATOM 775 N THR A 53 -10.817 6.723 -5.450 1.00 0.00 N ATOM 776 CA THR A 53 -10.878 5.297 -5.877 1.00 0.00 C ATOM 777 C THR A 53 -9.468 4.735 -6.100 1.00 0.00 C ATOM 778 O THR A 53 -8.848 4.236 -5.188 1.00 0.00 O ATOM 779 CB THR A 53 -11.683 5.310 -7.180 1.00 0.00 C ATOM 780 OG1 THR A 53 -13.014 5.725 -6.907 1.00 0.00 O ATOM 781 CG2 THR A 53 -11.698 3.908 -7.790 1.00 0.00 C ATOM 0 HA THR A 53 -11.340 4.660 -5.123 1.00 0.00 H new ATOM 0 HB THR A 53 -11.222 6.003 -7.884 1.00 0.00 H new ATOM 0 HG1 THR A 53 -13.002 6.452 -6.250 1.00 0.00 H new ATOM 0 HG21 THR A 53 -12.272 3.921 -8.717 1.00 0.00 H new ATOM 0 HG22 THR A 53 -10.676 3.592 -8.000 1.00 0.00 H new ATOM 0 HG23 THR A 53 -12.157 3.211 -7.089 1.00 0.00 H new ATOM 789 N GLU A 54 -8.956 4.797 -7.299 1.00 0.00 N ATOM 790 CA GLU A 54 -7.595 4.245 -7.549 1.00 0.00 C ATOM 791 C GLU A 54 -6.549 4.953 -6.682 1.00 0.00 C ATOM 792 O GLU A 54 -6.168 6.077 -6.943 1.00 0.00 O ATOM 793 CB GLU A 54 -7.327 4.507 -9.031 1.00 0.00 C ATOM 794 CG GLU A 54 -8.016 3.429 -9.873 1.00 0.00 C ATOM 795 CD GLU A 54 -7.186 3.150 -11.126 1.00 0.00 C ATOM 796 OE1 GLU A 54 -6.282 2.336 -11.044 1.00 0.00 O ATOM 797 OE2 GLU A 54 -7.467 3.757 -12.147 1.00 0.00 O ATOM 0 H GLU A 54 -9.419 5.204 -8.112 1.00 0.00 H new ATOM 0 HA GLU A 54 -7.536 3.185 -7.300 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -7.698 5.493 -9.310 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -6.254 4.504 -9.224 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -8.131 2.515 -9.290 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -9.017 3.756 -10.153 1.00 0.00 H new ATOM 804 N ILE A 55 -6.073 4.295 -5.658 1.00 0.00 N ATOM 805 CA ILE A 55 -5.040 4.919 -4.781 1.00 0.00 C ATOM 806 C ILE A 55 -3.669 4.316 -5.100 1.00 0.00 C ATOM 807 O ILE A 55 -3.370 3.197 -4.722 1.00 0.00 O ATOM 808 CB ILE A 55 -5.465 4.576 -3.350 1.00 0.00 C ATOM 809 CG1 ILE A 55 -6.741 5.341 -3.000 1.00 0.00 C ATOM 810 CG2 ILE A 55 -4.357 4.972 -2.369 1.00 0.00 C ATOM 811 CD1 ILE A 55 -6.485 6.844 -3.122 1.00 0.00 C ATOM 0 H ILE A 55 -6.355 3.352 -5.391 1.00 0.00 H new ATOM 0 HA ILE A 55 -4.962 5.997 -4.925 1.00 0.00 H new ATOM 0 HB ILE A 55 -5.646 3.503 -3.279 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -7.550 5.044 -3.667 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -7.058 5.096 -1.986 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -4.665 4.726 -1.353 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -3.444 4.429 -2.613 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -4.172 6.044 -2.442 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -7.395 7.390 -2.872 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -5.688 7.134 -2.437 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -6.189 7.081 -4.144 1.00 0.00 H new ATOM 823 N ASN A 56 -2.840 5.049 -5.797 1.00 0.00 N ATOM 824 CA ASN A 56 -1.488 4.527 -6.154 1.00 0.00 C ATOM 825 C ASN A 56 -0.600 4.431 -4.913 1.00 0.00 C ATOM 826 O ASN A 56 -0.548 5.332 -4.100 1.00 0.00 O ATOM 827 CB ASN A 56 -0.919 5.550 -7.138 1.00 0.00 C ATOM 828 CG ASN A 56 -0.876 6.927 -6.474 1.00 0.00 C ATOM 829 OD1 ASN A 56 -1.862 7.383 -5.931 1.00 0.00 O ATOM 830 ND2 ASN A 56 0.233 7.613 -6.495 1.00 0.00 N ATOM 0 H ASN A 56 -3.042 5.990 -6.135 1.00 0.00 H new ATOM 0 HA ASN A 56 -1.537 3.525 -6.581 1.00 0.00 H new ATOM 0 HB2 ASN A 56 0.083 5.253 -7.449 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -1.534 5.587 -8.037 1.00 0.00 H new ATOM 0 HD21 ASN A 56 0.272 8.533 -6.055 1.00 0.00 H new ATOM 0 HD22 ASN A 56 1.061 7.230 -6.951 1.00 0.00 H new ATOM 837 N ALA A 57 0.104 3.341 -4.768 1.00 0.00 N ATOM 838 CA ALA A 57 0.996 3.181 -3.584 1.00 0.00 C ATOM 839 C ALA A 57 1.945 4.382 -3.470 1.00 0.00 C ATOM 840 O ALA A 57 1.952 5.244 -4.326 1.00 0.00 O ATOM 841 CB ALA A 57 1.784 1.899 -3.852 1.00 0.00 C ATOM 0 H ALA A 57 0.100 2.555 -5.418 1.00 0.00 H new ATOM 0 HA ALA A 57 0.437 3.128 -2.650 1.00 0.00 H new ATOM 0 HB1 ALA A 57 2.466 1.711 -3.023 1.00 0.00 H new ATOM 0 HB2 ALA A 57 1.093 1.061 -3.951 1.00 0.00 H new ATOM 0 HB3 ALA A 57 2.355 2.009 -4.774 1.00 0.00 H new ATOM 847 N PRO A 58 2.716 4.402 -2.409 1.00 0.00 N ATOM 848 CA PRO A 58 3.670 5.517 -2.191 1.00 0.00 C ATOM 849 C PRO A 58 4.898 5.366 -3.095 1.00 0.00 C ATOM 850 O PRO A 58 5.308 6.297 -3.761 1.00 0.00 O ATOM 851 CB PRO A 58 4.060 5.371 -0.723 1.00 0.00 C ATOM 852 CG PRO A 58 3.837 3.927 -0.396 1.00 0.00 C ATOM 853 CD PRO A 58 2.771 3.408 -1.328 1.00 0.00 C ATOM 0 HA PRO A 58 3.243 6.493 -2.423 1.00 0.00 H new ATOM 0 HB2 PRO A 58 5.100 5.654 -0.562 1.00 0.00 H new ATOM 0 HB3 PRO A 58 3.452 6.016 -0.089 1.00 0.00 H new ATOM 0 HG2 PRO A 58 4.760 3.360 -0.517 1.00 0.00 H new ATOM 0 HG3 PRO A 58 3.526 3.813 0.643 1.00 0.00 H new ATOM 0 HD2 PRO A 58 3.024 2.419 -1.710 1.00 0.00 H new ATOM 0 HD3 PRO A 58 1.810 3.318 -0.822 1.00 0.00 H new ATOM 861 N THR A 59 5.491 4.204 -3.119 1.00 0.00 N ATOM 862 CA THR A 59 6.696 3.998 -3.975 1.00 0.00 C ATOM 863 C THR A 59 6.964 2.502 -4.163 1.00 0.00 C ATOM 864 O THR A 59 6.140 1.669 -3.845 1.00 0.00 O ATOM 865 CB THR A 59 7.850 4.659 -3.214 1.00 0.00 C ATOM 866 OG1 THR A 59 7.598 4.598 -1.817 1.00 0.00 O ATOM 867 CG2 THR A 59 7.975 6.121 -3.648 1.00 0.00 C ATOM 0 H THR A 59 5.194 3.388 -2.584 1.00 0.00 H new ATOM 0 HA THR A 59 6.569 4.426 -4.970 1.00 0.00 H new ATOM 0 HB THR A 59 8.778 4.133 -3.436 1.00 0.00 H new ATOM 0 HG1 THR A 59 8.338 5.020 -1.332 1.00 0.00 H new ATOM 0 HG21 THR A 59 8.796 6.592 -3.107 1.00 0.00 H new ATOM 0 HG22 THR A 59 8.172 6.167 -4.719 1.00 0.00 H new ATOM 0 HG23 THR A 59 7.046 6.647 -3.427 1.00 0.00 H new ATOM 875 N ASP A 60 8.114 2.156 -4.676 1.00 0.00 N ATOM 876 CA ASP A 60 8.436 0.714 -4.885 1.00 0.00 C ATOM 877 C ASP A 60 8.742 0.039 -3.545 1.00 0.00 C ATOM 878 O ASP A 60 9.599 0.473 -2.803 1.00 0.00 O ATOM 879 CB ASP A 60 9.675 0.713 -5.781 1.00 0.00 C ATOM 880 CG ASP A 60 9.248 0.602 -7.245 1.00 0.00 C ATOM 881 OD1 ASP A 60 8.921 1.623 -7.827 1.00 0.00 O ATOM 882 OD2 ASP A 60 9.253 -0.504 -7.760 1.00 0.00 O ATOM 0 H ASP A 60 8.844 2.809 -4.959 1.00 0.00 H new ATOM 0 HA ASP A 60 7.607 0.166 -5.333 1.00 0.00 H new ATOM 0 HB2 ASP A 60 10.248 1.627 -5.627 1.00 0.00 H new ATOM 0 HB3 ASP A 60 10.326 -0.120 -5.517 1.00 0.00 H new ATOM 887 N GLY A 61 8.047 -1.021 -3.230 1.00 0.00 N ATOM 888 CA GLY A 61 8.306 -1.718 -1.937 1.00 0.00 C ATOM 889 C GLY A 61 7.374 -2.924 -1.800 1.00 0.00 C ATOM 890 O GLY A 61 6.451 -3.099 -2.570 1.00 0.00 O ATOM 0 H GLY A 61 7.315 -1.433 -3.809 1.00 0.00 H new ATOM 0 HA2 GLY A 61 9.345 -2.043 -1.891 1.00 0.00 H new ATOM 0 HA3 GLY A 61 8.150 -1.031 -1.106 1.00 0.00 H new ATOM 894 N LYS A 62 7.610 -3.757 -0.821 1.00 0.00 N ATOM 895 CA LYS A 62 6.740 -4.953 -0.627 1.00 0.00 C ATOM 896 C LYS A 62 5.852 -4.762 0.604 1.00 0.00 C ATOM 897 O LYS A 62 6.207 -4.070 1.536 1.00 0.00 O ATOM 898 CB LYS A 62 7.710 -6.117 -0.415 1.00 0.00 C ATOM 899 CG LYS A 62 6.920 -7.417 -0.251 1.00 0.00 C ATOM 900 CD LYS A 62 7.878 -8.557 0.099 1.00 0.00 C ATOM 901 CE LYS A 62 7.084 -9.738 0.662 1.00 0.00 C ATOM 902 NZ LYS A 62 6.666 -10.525 -0.531 1.00 0.00 N ATOM 0 H LYS A 62 8.369 -3.660 -0.147 1.00 0.00 H new ATOM 0 HA LYS A 62 6.076 -5.126 -1.474 1.00 0.00 H new ATOM 0 HB2 LYS A 62 8.390 -6.197 -1.263 1.00 0.00 H new ATOM 0 HB3 LYS A 62 8.323 -5.937 0.469 1.00 0.00 H new ATOM 0 HG2 LYS A 62 6.172 -7.303 0.533 1.00 0.00 H new ATOM 0 HG3 LYS A 62 6.384 -7.648 -1.172 1.00 0.00 H new ATOM 0 HD2 LYS A 62 8.431 -8.867 -0.788 1.00 0.00 H new ATOM 0 HD3 LYS A 62 8.612 -8.218 0.830 1.00 0.00 H new ATOM 0 HE2 LYS A 62 7.694 -10.338 1.337 1.00 0.00 H new ATOM 0 HE3 LYS A 62 6.220 -9.397 1.232 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 6.145 -11.371 -0.224 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 6.053 -9.941 -1.135 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 7.508 -10.814 -1.069 1.00 0.00 H new ATOM 916 N VAL A 63 4.694 -5.369 0.616 1.00 0.00 N ATOM 917 CA VAL A 63 3.787 -5.214 1.790 1.00 0.00 C ATOM 918 C VAL A 63 4.152 -6.221 2.885 1.00 0.00 C ATOM 919 O VAL A 63 3.878 -7.400 2.776 1.00 0.00 O ATOM 920 CB VAL A 63 2.378 -5.479 1.241 1.00 0.00 C ATOM 921 CG1 VAL A 63 1.390 -5.730 2.388 1.00 0.00 C ATOM 922 CG2 VAL A 63 1.914 -4.259 0.451 1.00 0.00 C ATOM 0 H VAL A 63 4.339 -5.963 -0.133 1.00 0.00 H new ATOM 0 HA VAL A 63 3.863 -4.226 2.245 1.00 0.00 H new ATOM 0 HB VAL A 63 2.411 -6.361 0.601 1.00 0.00 H new ATOM 0 HG11 VAL A 63 0.397 -5.916 1.979 1.00 0.00 H new ATOM 0 HG12 VAL A 63 1.713 -6.597 2.964 1.00 0.00 H new ATOM 0 HG13 VAL A 63 1.357 -4.855 3.038 1.00 0.00 H new ATOM 0 HG21 VAL A 63 0.914 -4.439 0.058 1.00 0.00 H new ATOM 0 HG22 VAL A 63 1.895 -3.387 1.105 1.00 0.00 H new ATOM 0 HG23 VAL A 63 2.602 -4.077 -0.375 1.00 0.00 H new ATOM 932 N GLU A 64 4.746 -5.759 3.947 1.00 0.00 N ATOM 933 CA GLU A 64 5.101 -6.684 5.056 1.00 0.00 C ATOM 934 C GLU A 64 3.890 -6.874 5.979 1.00 0.00 C ATOM 935 O GLU A 64 3.882 -7.735 6.837 1.00 0.00 O ATOM 936 CB GLU A 64 6.245 -5.994 5.802 1.00 0.00 C ATOM 937 CG GLU A 64 7.413 -5.759 4.843 1.00 0.00 C ATOM 938 CD GLU A 64 8.391 -6.933 4.931 1.00 0.00 C ATOM 939 OE1 GLU A 64 9.077 -7.034 5.935 1.00 0.00 O ATOM 940 OE2 GLU A 64 8.437 -7.712 3.992 1.00 0.00 O ATOM 0 H GLU A 64 5.001 -4.783 4.095 1.00 0.00 H new ATOM 0 HA GLU A 64 5.393 -7.672 4.699 1.00 0.00 H new ATOM 0 HB2 GLU A 64 5.903 -5.045 6.215 1.00 0.00 H new ATOM 0 HB3 GLU A 64 6.569 -6.609 6.642 1.00 0.00 H new ATOM 0 HG2 GLU A 64 7.044 -5.655 3.823 1.00 0.00 H new ATOM 0 HG3 GLU A 64 7.922 -4.828 5.094 1.00 0.00 H new ATOM 947 N LYS A 65 2.860 -6.076 5.808 1.00 0.00 N ATOM 948 CA LYS A 65 1.649 -6.213 6.674 1.00 0.00 C ATOM 949 C LYS A 65 0.617 -5.143 6.304 1.00 0.00 C ATOM 950 O LYS A 65 0.948 -4.117 5.745 1.00 0.00 O ATOM 951 CB LYS A 65 2.145 -5.998 8.107 1.00 0.00 C ATOM 952 CG LYS A 65 2.054 -7.315 8.880 1.00 0.00 C ATOM 953 CD LYS A 65 3.285 -7.465 9.776 1.00 0.00 C ATOM 954 CE LYS A 65 3.155 -6.530 10.980 1.00 0.00 C ATOM 955 NZ LYS A 65 4.191 -6.997 11.943 1.00 0.00 N ATOM 0 H LYS A 65 2.808 -5.338 5.106 1.00 0.00 H new ATOM 0 HA LYS A 65 1.169 -7.184 6.554 1.00 0.00 H new ATOM 0 HB2 LYS A 65 3.174 -5.640 8.097 1.00 0.00 H new ATOM 0 HB3 LYS A 65 1.546 -5.232 8.600 1.00 0.00 H new ATOM 0 HG2 LYS A 65 1.147 -7.333 9.484 1.00 0.00 H new ATOM 0 HG3 LYS A 65 1.992 -8.153 8.186 1.00 0.00 H new ATOM 0 HD2 LYS A 65 3.380 -8.498 10.112 1.00 0.00 H new ATOM 0 HD3 LYS A 65 4.188 -7.228 9.214 1.00 0.00 H new ATOM 0 HE2 LYS A 65 3.322 -5.492 10.693 1.00 0.00 H new ATOM 0 HE3 LYS A 65 2.158 -6.584 11.416 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 4.164 -6.404 12.797 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 4.003 -7.986 12.203 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 5.131 -6.928 11.503 1.00 0.00 H new ATOM 969 N VAL A 66 -0.631 -5.373 6.611 1.00 0.00 N ATOM 970 CA VAL A 66 -1.678 -4.364 6.274 1.00 0.00 C ATOM 971 C VAL A 66 -2.251 -3.745 7.554 1.00 0.00 C ATOM 972 O VAL A 66 -3.160 -4.273 8.162 1.00 0.00 O ATOM 973 CB VAL A 66 -2.759 -5.138 5.513 1.00 0.00 C ATOM 974 CG1 VAL A 66 -2.200 -5.591 4.163 1.00 0.00 C ATOM 975 CG2 VAL A 66 -3.191 -6.366 6.321 1.00 0.00 C ATOM 0 H VAL A 66 -0.971 -6.213 7.079 1.00 0.00 H new ATOM 0 HA VAL A 66 -1.279 -3.543 5.678 1.00 0.00 H new ATOM 0 HB VAL A 66 -3.622 -4.490 5.358 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -2.966 -6.142 3.618 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -1.899 -4.719 3.583 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -1.336 -6.235 4.325 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -3.960 -6.910 5.773 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -2.331 -7.016 6.482 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -3.590 -6.046 7.284 1.00 0.00 H new ATOM 985 N LEU A 67 -1.720 -2.626 7.969 1.00 0.00 N ATOM 986 CA LEU A 67 -2.225 -1.971 9.211 1.00 0.00 C ATOM 987 C LEU A 67 -3.730 -1.711 9.106 1.00 0.00 C ATOM 988 O LEU A 67 -4.527 -2.338 9.776 1.00 0.00 O ATOM 989 CB LEU A 67 -1.461 -0.649 9.300 1.00 0.00 C ATOM 990 CG LEU A 67 -0.248 -0.819 10.216 1.00 0.00 C ATOM 991 CD1 LEU A 67 0.917 0.017 9.679 1.00 0.00 C ATOM 992 CD2 LEU A 67 -0.605 -0.352 11.629 1.00 0.00 C ATOM 0 H LEU A 67 -0.957 -2.136 7.501 1.00 0.00 H new ATOM 0 HA LEU A 67 -2.073 -2.594 10.093 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -1.139 -0.336 8.307 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -2.113 0.135 9.685 1.00 0.00 H new ATOM 0 HG LEU A 67 0.042 -1.869 10.245 1.00 0.00 H new ATOM 0 HD11 LEU A 67 1.782 -0.103 10.331 1.00 0.00 H new ATOM 0 HD12 LEU A 67 1.171 -0.317 8.673 1.00 0.00 H new ATOM 0 HD13 LEU A 67 0.628 1.068 9.650 1.00 0.00 H new ATOM 0 HD21 LEU A 67 0.260 -0.473 12.282 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -0.895 0.698 11.603 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -1.434 -0.948 12.011 1.00 0.00 H new ATOM 1004 N VAL A 68 -4.126 -0.787 8.274 1.00 0.00 N ATOM 1005 CA VAL A 68 -5.579 -0.482 8.134 1.00 0.00 C ATOM 1006 C VAL A 68 -6.328 -1.690 7.567 1.00 0.00 C ATOM 1007 O VAL A 68 -5.735 -2.621 7.060 1.00 0.00 O ATOM 1008 CB VAL A 68 -5.646 0.695 7.158 1.00 0.00 C ATOM 1009 CG1 VAL A 68 -4.879 1.884 7.741 1.00 0.00 C ATOM 1010 CG2 VAL A 68 -5.019 0.287 5.824 1.00 0.00 C ATOM 0 H VAL A 68 -3.507 -0.230 7.685 1.00 0.00 H new ATOM 0 HA VAL A 68 -6.041 -0.246 9.092 1.00 0.00 H new ATOM 0 HB VAL A 68 -6.687 0.977 6.998 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -4.926 2.723 7.047 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -5.326 2.174 8.692 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -3.838 1.603 7.900 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -5.066 1.125 5.128 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -3.978 0.005 5.982 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -5.565 -0.560 5.409 1.00 0.00 H new ATOM 1020 N LYS A 69 -7.631 -1.677 7.647 1.00 0.00 N ATOM 1021 CA LYS A 69 -8.427 -2.819 7.113 1.00 0.00 C ATOM 1022 C LYS A 69 -9.348 -2.333 5.992 1.00 0.00 C ATOM 1023 O LYS A 69 -9.319 -1.180 5.609 1.00 0.00 O ATOM 1024 CB LYS A 69 -9.252 -3.319 8.299 1.00 0.00 C ATOM 1025 CG LYS A 69 -8.337 -4.011 9.311 1.00 0.00 C ATOM 1026 CD LYS A 69 -9.176 -4.548 10.473 1.00 0.00 C ATOM 1027 CE LYS A 69 -8.277 -4.785 11.688 1.00 0.00 C ATOM 1028 NZ LYS A 69 -9.189 -4.712 12.863 1.00 0.00 N ATOM 0 H LYS A 69 -8.180 -0.923 8.060 1.00 0.00 H new ATOM 0 HA LYS A 69 -7.796 -3.604 6.696 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -9.768 -2.484 8.773 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -10.019 -4.013 7.954 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -7.797 -4.827 8.831 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -7.590 -3.309 9.682 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -9.964 -3.838 10.724 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -9.665 -5.478 10.183 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -7.784 -5.755 11.631 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -7.492 -4.032 11.751 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -8.644 -4.865 13.735 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -9.639 -3.775 12.896 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -9.922 -5.445 12.780 1.00 0.00 H new ATOM 1042 N GLU A 70 -10.170 -3.199 5.466 1.00 0.00 N ATOM 1043 CA GLU A 70 -11.094 -2.776 4.376 1.00 0.00 C ATOM 1044 C GLU A 70 -12.378 -2.198 4.973 1.00 0.00 C ATOM 1045 O GLU A 70 -12.847 -2.637 6.006 1.00 0.00 O ATOM 1046 CB GLU A 70 -11.394 -4.051 3.589 1.00 0.00 C ATOM 1047 CG GLU A 70 -11.636 -3.698 2.120 1.00 0.00 C ATOM 1048 CD GLU A 70 -12.837 -4.486 1.595 1.00 0.00 C ATOM 1049 OE1 GLU A 70 -12.711 -5.691 1.447 1.00 0.00 O ATOM 1050 OE2 GLU A 70 -13.862 -3.872 1.349 1.00 0.00 O ATOM 0 H GLU A 70 -10.242 -4.178 5.743 1.00 0.00 H new ATOM 0 HA GLU A 70 -10.660 -2.003 3.742 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -10.561 -4.748 3.674 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -12.270 -4.549 4.004 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -11.817 -2.628 2.018 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -10.750 -3.929 1.529 1.00 0.00 H new ATOM 1057 N ARG A 71 -12.953 -1.215 4.333 1.00 0.00 N ATOM 1058 CA ARG A 71 -14.208 -0.604 4.863 1.00 0.00 C ATOM 1059 C ARG A 71 -13.982 -0.069 6.280 1.00 0.00 C ATOM 1060 O ARG A 71 -14.869 -0.088 7.110 1.00 0.00 O ATOM 1061 CB ARG A 71 -15.238 -1.738 4.874 1.00 0.00 C ATOM 1062 CG ARG A 71 -16.590 -1.204 4.400 1.00 0.00 C ATOM 1063 CD ARG A 71 -17.642 -2.311 4.503 1.00 0.00 C ATOM 1064 NE ARG A 71 -18.370 -2.031 5.772 1.00 0.00 N ATOM 1065 CZ ARG A 71 -18.564 -2.988 6.638 1.00 0.00 C ATOM 1066 NH1 ARG A 71 -17.600 -3.824 6.910 1.00 0.00 N ATOM 1067 NH2 ARG A 71 -19.719 -3.106 7.230 1.00 0.00 N ATOM 0 H ARG A 71 -12.607 -0.808 3.464 1.00 0.00 H new ATOM 0 HA ARG A 71 -14.540 0.238 4.255 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -14.908 -2.550 4.225 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -15.330 -2.150 5.879 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -16.887 -0.348 5.006 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -16.514 -0.855 3.370 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -18.318 -2.295 3.648 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -17.177 -3.297 4.523 1.00 0.00 H new ATOM 0 HE ARG A 71 -18.717 -1.091 5.964 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -16.697 -3.729 6.446 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -17.750 -4.573 7.587 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -20.471 -2.451 7.016 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -19.871 -3.854 7.907 1.00 0.00 H new ATOM 1081 N ASP A 72 -12.802 0.413 6.561 1.00 0.00 N ATOM 1082 CA ASP A 72 -12.522 0.953 7.923 1.00 0.00 C ATOM 1083 C ASP A 72 -12.108 2.424 7.831 1.00 0.00 C ATOM 1084 O ASP A 72 -10.938 2.747 7.749 1.00 0.00 O ATOM 1085 CB ASP A 72 -11.371 0.101 8.460 1.00 0.00 C ATOM 1086 CG ASP A 72 -11.117 0.451 9.928 1.00 0.00 C ATOM 1087 OD1 ASP A 72 -11.191 1.623 10.257 1.00 0.00 O ATOM 1088 OD2 ASP A 72 -10.855 -0.459 10.697 1.00 0.00 O ATOM 0 H ASP A 72 -12.020 0.456 5.907 1.00 0.00 H new ATOM 0 HA ASP A 72 -13.396 0.909 8.574 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -11.613 -0.958 8.364 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -10.470 0.276 7.872 1.00 0.00 H new ATOM 1093 N ALA A 73 -13.058 3.319 7.840 1.00 0.00 N ATOM 1094 CA ALA A 73 -12.724 4.772 7.749 1.00 0.00 C ATOM 1095 C ALA A 73 -11.670 5.146 8.795 1.00 0.00 C ATOM 1096 O ALA A 73 -11.645 4.611 9.886 1.00 0.00 O ATOM 1097 CB ALA A 73 -14.040 5.498 8.031 1.00 0.00 C ATOM 0 H ALA A 73 -14.054 3.108 7.907 1.00 0.00 H new ATOM 0 HA ALA A 73 -12.309 5.038 6.777 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -13.879 6.575 7.983 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -14.782 5.208 7.287 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -14.398 5.229 9.025 1.00 0.00 H new ATOM 1103 N VAL A 74 -10.800 6.065 8.471 1.00 0.00 N ATOM 1104 CA VAL A 74 -9.749 6.478 9.445 1.00 0.00 C ATOM 1105 C VAL A 74 -9.716 8.006 9.568 1.00 0.00 C ATOM 1106 O VAL A 74 -10.171 8.717 8.695 1.00 0.00 O ATOM 1107 CB VAL A 74 -8.437 5.953 8.860 1.00 0.00 C ATOM 1108 CG1 VAL A 74 -8.168 6.627 7.513 1.00 0.00 C ATOM 1109 CG2 VAL A 74 -7.288 6.262 9.822 1.00 0.00 C ATOM 0 H VAL A 74 -10.772 6.548 7.573 1.00 0.00 H new ATOM 0 HA VAL A 74 -9.932 6.084 10.445 1.00 0.00 H new ATOM 0 HB VAL A 74 -8.512 4.875 8.717 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -7.233 6.251 7.098 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -8.985 6.405 6.826 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -8.095 7.705 7.654 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -6.353 5.888 9.405 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -7.215 7.340 9.967 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -7.476 5.779 10.781 1.00 0.00 H new ATOM 1119 N GLN A 75 -9.186 8.514 10.647 1.00 0.00 N ATOM 1120 CA GLN A 75 -9.132 9.995 10.824 1.00 0.00 C ATOM 1121 C GLN A 75 -7.747 10.533 10.446 1.00 0.00 C ATOM 1122 O GLN A 75 -7.330 11.577 10.907 1.00 0.00 O ATOM 1123 CB GLN A 75 -9.407 10.223 12.310 1.00 0.00 C ATOM 1124 CG GLN A 75 -10.064 11.591 12.505 1.00 0.00 C ATOM 1125 CD GLN A 75 -10.619 11.694 13.928 1.00 0.00 C ATOM 1126 OE1 GLN A 75 -11.136 10.732 14.462 1.00 0.00 O ATOM 1127 NE2 GLN A 75 -10.535 12.828 14.568 1.00 0.00 N ATOM 0 H GLN A 75 -8.789 7.970 11.413 1.00 0.00 H new ATOM 0 HA GLN A 75 -9.852 10.510 10.188 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -10.057 9.438 12.695 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -8.476 10.171 12.875 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -9.337 12.384 12.329 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -10.866 11.727 11.780 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -10.101 13.635 14.120 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -10.903 12.907 15.516 1.00 0.00 H new ATOM 1136 N GLY A 76 -7.032 9.832 9.609 1.00 0.00 N ATOM 1137 CA GLY A 76 -5.678 10.309 9.206 1.00 0.00 C ATOM 1138 C GLY A 76 -4.678 10.019 10.324 1.00 0.00 C ATOM 1139 O GLY A 76 -5.045 9.606 11.406 1.00 0.00 O ATOM 0 H GLY A 76 -7.326 8.951 9.187 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -5.365 9.813 8.287 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -5.705 11.379 8.997 1.00 0.00 H new ATOM 1143 N GLY A 77 -3.413 10.229 10.074 1.00 0.00 N ATOM 1144 CA GLY A 77 -2.394 9.960 11.127 1.00 0.00 C ATOM 1145 C GLY A 77 -2.419 8.475 11.487 1.00 0.00 C ATOM 1146 O GLY A 77 -2.208 8.095 12.621 1.00 0.00 O ATOM 0 H GLY A 77 -3.043 10.574 9.188 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -1.403 10.243 10.771 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -2.600 10.564 12.011 1.00 0.00 H new ATOM 1150 N GLN A 78 -2.682 7.631 10.527 1.00 0.00 N ATOM 1151 CA GLN A 78 -2.728 6.168 10.808 1.00 0.00 C ATOM 1152 C GLN A 78 -1.838 5.412 9.817 1.00 0.00 C ATOM 1153 O GLN A 78 -1.926 5.602 8.620 1.00 0.00 O ATOM 1154 CB GLN A 78 -4.194 5.778 10.618 1.00 0.00 C ATOM 1155 CG GLN A 78 -4.741 5.186 11.918 1.00 0.00 C ATOM 1156 CD GLN A 78 -4.731 3.660 11.826 1.00 0.00 C ATOM 1157 OE1 GLN A 78 -3.627 3.047 11.496 1.00 0.00 O flip ATOM 1158 NE2 GLN A 78 -5.736 3.019 12.057 1.00 0.00 N flip ATOM 0 H GLN A 78 -2.867 7.892 9.559 1.00 0.00 H new ATOM 0 HA GLN A 78 -2.367 5.926 11.807 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -4.779 6.652 10.330 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -4.286 5.053 9.810 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -4.135 5.514 12.763 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -5.755 5.544 12.095 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -6.599 3.498 12.315 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -5.718 2.001 11.993 1.00 0.00 H new ATOM 1167 N GLY A 79 -0.983 4.555 10.306 1.00 0.00 N ATOM 1168 CA GLY A 79 -0.091 3.787 9.392 1.00 0.00 C ATOM 1169 C GLY A 79 -0.939 3.005 8.389 1.00 0.00 C ATOM 1170 O GLY A 79 -1.626 2.068 8.741 1.00 0.00 O ATOM 0 H GLY A 79 -0.864 4.354 11.299 1.00 0.00 H new ATOM 0 HA2 GLY A 79 0.580 4.466 8.866 1.00 0.00 H new ATOM 0 HA3 GLY A 79 0.534 3.104 9.966 1.00 0.00 H new ATOM 1174 N LEU A 80 -0.897 3.382 7.140 1.00 0.00 N ATOM 1175 CA LEU A 80 -1.705 2.658 6.117 1.00 0.00 C ATOM 1176 C LEU A 80 -1.165 1.240 5.919 1.00 0.00 C ATOM 1177 O LEU A 80 -1.789 0.269 6.300 1.00 0.00 O ATOM 1178 CB LEU A 80 -1.543 3.473 4.835 1.00 0.00 C ATOM 1179 CG LEU A 80 -2.335 4.775 4.951 1.00 0.00 C ATOM 1180 CD1 LEU A 80 -1.756 5.811 3.986 1.00 0.00 C ATOM 1181 CD2 LEU A 80 -3.801 4.511 4.601 1.00 0.00 C ATOM 0 H LEU A 80 -0.339 4.158 6.784 1.00 0.00 H new ATOM 0 HA LEU A 80 -2.750 2.562 6.412 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -0.489 3.691 4.661 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -1.894 2.897 3.979 1.00 0.00 H new ATOM 0 HG LEU A 80 -2.268 5.153 5.971 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -2.320 6.740 4.068 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -0.712 5.998 4.236 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -1.823 5.435 2.965 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -4.367 5.439 4.683 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -3.869 4.133 3.581 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -4.212 3.773 5.289 1.00 0.00 H new ATOM 1193 N ILE A 81 -0.012 1.112 5.323 1.00 0.00 N ATOM 1194 CA ILE A 81 0.562 -0.245 5.098 1.00 0.00 C ATOM 1195 C ILE A 81 2.032 -0.281 5.527 1.00 0.00 C ATOM 1196 O ILE A 81 2.679 0.741 5.648 1.00 0.00 O ATOM 1197 CB ILE A 81 0.435 -0.479 3.591 1.00 0.00 C ATOM 1198 CG1 ILE A 81 -1.046 -0.538 3.210 1.00 0.00 C ATOM 1199 CG2 ILE A 81 1.108 -1.800 3.216 1.00 0.00 C ATOM 1200 CD1 ILE A 81 -1.196 -0.330 1.702 1.00 0.00 C ATOM 0 H ILE A 81 0.557 1.887 4.982 1.00 0.00 H new ATOM 0 HA ILE A 81 0.048 -1.012 5.677 1.00 0.00 H new ATOM 0 HB ILE A 81 0.920 0.338 3.056 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -1.468 -1.501 3.498 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -1.602 0.228 3.750 1.00 0.00 H new ATOM 0 HG21 ILE A 81 1.016 -1.963 2.142 1.00 0.00 H new ATOM 0 HG22 ILE A 81 2.163 -1.761 3.488 1.00 0.00 H new ATOM 0 HG23 ILE A 81 0.626 -2.619 3.750 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -2.251 -0.372 1.432 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -0.790 0.643 1.427 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -0.654 -1.113 1.171 1.00 0.00 H new ATOM 1212 N LYS A 82 2.561 -1.450 5.760 1.00 0.00 N ATOM 1213 CA LYS A 82 3.987 -1.557 6.182 1.00 0.00 C ATOM 1214 C LYS A 82 4.859 -1.992 5.000 1.00 0.00 C ATOM 1215 O LYS A 82 4.693 -3.066 4.458 1.00 0.00 O ATOM 1216 CB LYS A 82 3.995 -2.624 7.276 1.00 0.00 C ATOM 1217 CG LYS A 82 5.405 -2.754 7.854 1.00 0.00 C ATOM 1218 CD LYS A 82 5.329 -3.354 9.259 1.00 0.00 C ATOM 1219 CE LYS A 82 5.010 -2.253 10.270 1.00 0.00 C ATOM 1220 NZ LYS A 82 4.370 -2.957 11.416 1.00 0.00 N ATOM 0 H LYS A 82 2.067 -2.338 5.676 1.00 0.00 H new ATOM 0 HA LYS A 82 4.386 -0.606 6.536 1.00 0.00 H new ATOM 0 HB2 LYS A 82 3.291 -2.357 8.064 1.00 0.00 H new ATOM 0 HB3 LYS A 82 3.669 -3.581 6.868 1.00 0.00 H new ATOM 0 HG2 LYS A 82 6.016 -3.386 7.210 1.00 0.00 H new ATOM 0 HG3 LYS A 82 5.886 -1.776 7.890 1.00 0.00 H new ATOM 0 HD2 LYS A 82 4.562 -4.127 9.294 1.00 0.00 H new ATOM 0 HD3 LYS A 82 6.275 -3.832 9.513 1.00 0.00 H new ATOM 0 HE2 LYS A 82 5.914 -1.730 10.583 1.00 0.00 H new ATOM 0 HE3 LYS A 82 4.341 -1.506 9.842 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 4.183 -2.277 12.181 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 3.474 -3.383 11.105 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 5.006 -3.703 11.764 1.00 0.00 H new ATOM 1234 N ILE A 83 5.789 -1.169 4.600 1.00 0.00 N ATOM 1235 CA ILE A 83 6.670 -1.539 3.455 1.00 0.00 C ATOM 1236 C ILE A 83 8.131 -1.597 3.910 1.00 0.00 C ATOM 1237 O ILE A 83 9.030 -1.200 3.195 1.00 0.00 O ATOM 1238 CB ILE A 83 6.472 -0.426 2.426 1.00 0.00 C ATOM 1239 CG1 ILE A 83 4.986 -0.306 2.083 1.00 0.00 C ATOM 1240 CG2 ILE A 83 7.262 -0.755 1.159 1.00 0.00 C ATOM 1241 CD1 ILE A 83 4.764 0.923 1.200 1.00 0.00 C ATOM 0 H ILE A 83 5.977 -0.257 5.016 1.00 0.00 H new ATOM 0 HA ILE A 83 6.426 -2.519 3.046 1.00 0.00 H new ATOM 0 HB ILE A 83 6.827 0.518 2.840 1.00 0.00 H new ATOM 0 HG12 ILE A 83 4.647 -1.204 1.566 1.00 0.00 H new ATOM 0 HG13 ILE A 83 4.397 -0.222 2.996 1.00 0.00 H new ATOM 0 HG21 ILE A 83 7.121 0.039 0.426 1.00 0.00 H new ATOM 0 HG22 ILE A 83 8.321 -0.840 1.402 1.00 0.00 H new ATOM 0 HG23 ILE A 83 6.908 -1.699 0.745 1.00 0.00 H new ATOM 0 HD11 ILE A 83 3.705 1.009 0.955 1.00 0.00 H new ATOM 0 HD12 ILE A 83 5.087 1.817 1.733 1.00 0.00 H new ATOM 0 HD13 ILE A 83 5.341 0.820 0.281 1.00 0.00 H new ATOM 1253 N GLY A 84 8.374 -2.088 5.092 1.00 0.00 N ATOM 1254 CA GLY A 84 9.775 -2.173 5.592 1.00 0.00 C ATOM 1255 C GLY A 84 9.777 -2.724 7.018 1.00 0.00 C ATOM 1256 O GLY A 84 10.603 -3.576 7.302 1.00 0.00 O ATOM 1257 OXT GLY A 84 8.950 -2.286 7.802 1.00 0.00 O ATOM 0 H GLY A 84 7.662 -2.435 5.735 1.00 0.00 H new ATOM 0 HA2 GLY A 84 10.366 -2.818 4.941 1.00 0.00 H new ATOM 0 HA3 GLY A 84 10.240 -1.187 5.571 1.00 0.00 H new