USER MOD reduce.3.24.130724 H: found=0, std=0, add=582, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 585 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 833 THR OG1 : rot 88:sc= 1.21 USER MOD Set 1.2: A 867 THR OG1 : rot 76:sc= -0.25 USER MOD Single : A 772 THR OG1 : rot 93:sc= 1.21 USER MOD Single : A 775 THR OG1 : rot 180:sc= 0.0197 USER MOD Single : A 776 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 779 ASN : amide:sc= -0.139 K(o=-0.14,f=-1) USER MOD Single : A 802 THR OG1 : rot 180:sc= 0.0104 USER MOD Single : A 804 THR OG1 : rot 180:sc= 0 USER MOD Single : A 807 THR OG1 : rot 86:sc= 1.21 USER MOD Single : A 809 THR OG1 : rot 180:sc= -0.0112 USER MOD Single : A 811 ASN : amide:sc= -0.0364 K(o=-0.036,f=-1.1) USER MOD Single : A 814 SER OG : rot 180:sc= 0.133 USER MOD Single : A 815 SER OG : rot 140:sc= 0 USER MOD Single : A 816 MET CE :methyl 157:sc= -0.406 (180deg=-0.848) USER MOD Single : A 822 MET CE :methyl 164:sc= -1.76 (180deg=-2.35) USER MOD Single : A 825 GLN : amide:sc= -0.464 K(o=-0.46,f=-1.5) USER MOD Single : A 831 GLN : amide:sc= -0.253 X(o=-0.25,f=-0.25) USER MOD Single : A 834 SER OG : rot 62:sc= 1.31 USER MOD Single : A 838 ASN : amide:sc=-5.97e-05 X(o=-6e-05,f=-0.031) USER MOD Single : A 841 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 858 SER OG : rot 180:sc= 0.106 USER MOD Single : A 861 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 869 LYS NZ :NH3+ 157:sc= 0.875 (180deg=-0.0493!) USER MOD Single : A 870 MET CE :methyl -178:sc= -3.02 (180deg=-3.13) USER MOD Single : A 875 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 220 N GLY A 766 -12.370 -2.661 6.055 1.00 0.00 N ATOM 221 CA GLY A 766 -11.589 -3.207 4.966 1.00 0.00 C ATOM 222 C GLY A 766 -10.519 -2.252 4.482 1.00 0.00 C ATOM 223 O GLY A 766 -9.326 -2.502 4.667 1.00 0.00 O ATOM 0 HA2 GLY A 766 -11.122 -4.137 5.289 1.00 0.00 H new ATOM 0 HA3 GLY A 766 -12.252 -3.455 4.137 1.00 0.00 H new ATOM 227 N VAL A 767 -10.945 -1.141 3.891 1.00 0.00 N ATOM 228 CA VAL A 767 -10.022 -0.182 3.292 1.00 0.00 C ATOM 229 C VAL A 767 -9.146 0.475 4.345 1.00 0.00 C ATOM 230 O VAL A 767 -7.942 0.603 4.158 1.00 0.00 O ATOM 231 CB VAL A 767 -10.762 0.926 2.514 1.00 0.00 C ATOM 232 CG1 VAL A 767 -9.824 1.612 1.534 1.00 0.00 C ATOM 233 CG2 VAL A 767 -11.978 0.364 1.798 1.00 0.00 C ATOM 0 H VAL A 767 -11.928 -0.881 3.813 1.00 0.00 H new ATOM 0 HA VAL A 767 -9.403 -0.752 2.599 1.00 0.00 H new ATOM 0 HB VAL A 767 -11.109 1.671 3.230 1.00 0.00 H new ATOM 0 HG11 VAL A 767 -10.366 2.390 0.996 1.00 0.00 H new ATOM 0 HG12 VAL A 767 -8.993 2.059 2.079 1.00 0.00 H new ATOM 0 HG13 VAL A 767 -9.440 0.879 0.824 1.00 0.00 H new ATOM 0 HG21 VAL A 767 -12.483 1.164 1.257 1.00 0.00 H new ATOM 0 HG22 VAL A 767 -11.662 -0.407 1.095 1.00 0.00 H new ATOM 0 HG23 VAL A 767 -12.662 -0.069 2.528 1.00 0.00 H new ATOM 243 N GLY A 768 -9.758 0.886 5.448 1.00 0.00 N ATOM 244 CA GLY A 768 -9.023 1.555 6.506 1.00 0.00 C ATOM 245 C GLY A 768 -7.859 0.729 7.014 1.00 0.00 C ATOM 246 O GLY A 768 -6.721 1.196 7.038 1.00 0.00 O ATOM 0 H GLY A 768 -10.755 0.768 5.630 1.00 0.00 H new ATOM 0 HA2 GLY A 768 -8.652 2.512 6.138 1.00 0.00 H new ATOM 0 HA3 GLY A 768 -9.699 1.772 7.333 1.00 0.00 H new ATOM 250 N ALA A 769 -8.142 -0.506 7.400 1.00 0.00 N ATOM 251 CA ALA A 769 -7.111 -1.404 7.903 1.00 0.00 C ATOM 252 C ALA A 769 -6.055 -1.689 6.836 1.00 0.00 C ATOM 253 O ALA A 769 -4.858 -1.711 7.126 1.00 0.00 O ATOM 254 CB ALA A 769 -7.736 -2.700 8.391 1.00 0.00 C ATOM 0 H ALA A 769 -9.078 -0.911 7.375 1.00 0.00 H new ATOM 0 HA ALA A 769 -6.615 -0.913 8.740 1.00 0.00 H new ATOM 0 HB1 ALA A 769 -6.955 -3.363 8.764 1.00 0.00 H new ATOM 0 HB2 ALA A 769 -8.443 -2.484 9.192 1.00 0.00 H new ATOM 0 HB3 ALA A 769 -8.259 -3.185 7.567 1.00 0.00 H new ATOM 260 N ALA A 770 -6.504 -1.888 5.601 1.00 0.00 N ATOM 261 CA ALA A 770 -5.601 -2.193 4.497 1.00 0.00 C ATOM 262 C ALA A 770 -4.713 -0.997 4.164 1.00 0.00 C ATOM 263 O ALA A 770 -3.524 -1.151 3.890 1.00 0.00 O ATOM 264 CB ALA A 770 -6.392 -2.624 3.273 1.00 0.00 C ATOM 0 H ALA A 770 -7.489 -1.843 5.339 1.00 0.00 H new ATOM 0 HA ALA A 770 -4.955 -3.015 4.806 1.00 0.00 H new ATOM 0 HB1 ALA A 770 -5.706 -2.849 2.457 1.00 0.00 H new ATOM 0 HB2 ALA A 770 -6.975 -3.513 3.511 1.00 0.00 H new ATOM 0 HB3 ALA A 770 -7.063 -1.820 2.972 1.00 0.00 H new ATOM 270 N ALA A 771 -5.298 0.193 4.193 1.00 0.00 N ATOM 271 CA ALA A 771 -4.563 1.416 3.913 1.00 0.00 C ATOM 272 C ALA A 771 -3.508 1.671 4.983 1.00 0.00 C ATOM 273 O ALA A 771 -2.361 1.997 4.673 1.00 0.00 O ATOM 274 CB ALA A 771 -5.519 2.594 3.815 1.00 0.00 C ATOM 0 H ALA A 771 -6.285 0.336 4.409 1.00 0.00 H new ATOM 0 HA ALA A 771 -4.054 1.300 2.956 1.00 0.00 H new ATOM 0 HB1 ALA A 771 -4.956 3.503 3.605 1.00 0.00 H new ATOM 0 HB2 ALA A 771 -6.234 2.416 3.012 1.00 0.00 H new ATOM 0 HB3 ALA A 771 -6.054 2.708 4.758 1.00 0.00 H new ATOM 280 N THR A 772 -3.899 1.496 6.242 1.00 0.00 N ATOM 281 CA THR A 772 -2.984 1.677 7.362 1.00 0.00 C ATOM 282 C THR A 772 -1.814 0.699 7.268 1.00 0.00 C ATOM 283 O THR A 772 -0.682 1.035 7.618 1.00 0.00 O ATOM 284 CB THR A 772 -3.704 1.488 8.714 1.00 0.00 C ATOM 285 OG1 THR A 772 -4.946 2.206 8.713 1.00 0.00 O ATOM 286 CG2 THR A 772 -2.841 1.979 9.866 1.00 0.00 C ATOM 0 H THR A 772 -4.846 1.228 6.511 1.00 0.00 H new ATOM 0 HA THR A 772 -2.606 2.698 7.309 1.00 0.00 H new ATOM 0 HB THR A 772 -3.893 0.423 8.848 1.00 0.00 H new ATOM 0 HG1 THR A 772 -5.667 1.612 8.418 1.00 0.00 H new ATOM 0 HG21 THR A 772 -3.373 1.834 10.806 1.00 0.00 H new ATOM 0 HG22 THR A 772 -1.907 1.417 9.887 1.00 0.00 H new ATOM 0 HG23 THR A 772 -2.624 3.039 9.732 1.00 0.00 H new ATOM 294 N ALA A 773 -2.092 -0.506 6.772 1.00 0.00 N ATOM 295 CA ALA A 773 -1.059 -1.518 6.586 1.00 0.00 C ATOM 296 C ALA A 773 0.031 -1.009 5.648 1.00 0.00 C ATOM 297 O ALA A 773 1.219 -1.200 5.902 1.00 0.00 O ATOM 298 CB ALA A 773 -1.664 -2.806 6.048 1.00 0.00 C ATOM 0 H ALA A 773 -3.027 -0.803 6.492 1.00 0.00 H new ATOM 0 HA ALA A 773 -0.607 -1.727 7.556 1.00 0.00 H new ATOM 0 HB1 ALA A 773 -0.878 -3.550 5.916 1.00 0.00 H new ATOM 0 HB2 ALA A 773 -2.405 -3.183 6.754 1.00 0.00 H new ATOM 0 HB3 ALA A 773 -2.143 -2.610 5.089 1.00 0.00 H new ATOM 304 N VAL A 774 -0.383 -0.345 4.574 1.00 0.00 N ATOM 305 CA VAL A 774 0.555 0.241 3.623 1.00 0.00 C ATOM 306 C VAL A 774 1.367 1.344 4.290 1.00 0.00 C ATOM 307 O VAL A 774 2.585 1.409 4.137 1.00 0.00 O ATOM 308 CB VAL A 774 -0.170 0.810 2.386 1.00 0.00 C ATOM 309 CG1 VAL A 774 0.819 1.446 1.419 1.00 0.00 C ATOM 310 CG2 VAL A 774 -0.962 -0.283 1.693 1.00 0.00 C ATOM 0 H VAL A 774 -1.365 -0.199 4.340 1.00 0.00 H new ATOM 0 HA VAL A 774 1.223 -0.554 3.292 1.00 0.00 H new ATOM 0 HB VAL A 774 -0.860 1.585 2.721 1.00 0.00 H new ATOM 0 HG11 VAL A 774 0.282 1.839 0.556 1.00 0.00 H new ATOM 0 HG12 VAL A 774 1.346 2.258 1.919 1.00 0.00 H new ATOM 0 HG13 VAL A 774 1.538 0.696 1.088 1.00 0.00 H new ATOM 0 HG21 VAL A 774 -1.469 0.132 0.822 1.00 0.00 H new ATOM 0 HG22 VAL A 774 -0.286 -1.077 1.376 1.00 0.00 H new ATOM 0 HG23 VAL A 774 -1.701 -0.690 2.383 1.00 0.00 H new ATOM 320 N THR A 775 0.683 2.194 5.050 1.00 0.00 N ATOM 321 CA THR A 775 1.341 3.271 5.778 1.00 0.00 C ATOM 322 C THR A 775 2.409 2.719 6.723 1.00 0.00 C ATOM 323 O THR A 775 3.539 3.207 6.751 1.00 0.00 O ATOM 324 CB THR A 775 0.322 4.088 6.595 1.00 0.00 C ATOM 325 OG1 THR A 775 -0.886 4.248 5.840 1.00 0.00 O ATOM 326 CG2 THR A 775 0.883 5.453 6.968 1.00 0.00 C ATOM 0 H THR A 775 -0.328 2.157 5.177 1.00 0.00 H new ATOM 0 HA THR A 775 1.813 3.919 5.040 1.00 0.00 H new ATOM 0 HB THR A 775 0.109 3.546 7.516 1.00 0.00 H new ATOM 0 HG1 THR A 775 -1.532 4.766 6.363 1.00 0.00 H new ATOM 0 HG21 THR A 775 0.141 6.006 7.544 1.00 0.00 H new ATOM 0 HG22 THR A 775 1.785 5.325 7.566 1.00 0.00 H new ATOM 0 HG23 THR A 775 1.125 6.007 6.061 1.00 0.00 H new ATOM 334 N GLN A 776 2.046 1.686 7.479 1.00 0.00 N ATOM 335 CA GLN A 776 2.958 1.081 8.444 1.00 0.00 C ATOM 336 C GLN A 776 4.111 0.370 7.740 1.00 0.00 C ATOM 337 O GLN A 776 5.261 0.464 8.173 1.00 0.00 O ATOM 338 CB GLN A 776 2.207 0.101 9.346 1.00 0.00 C ATOM 339 CG GLN A 776 1.116 0.757 10.177 1.00 0.00 C ATOM 340 CD GLN A 776 1.514 0.950 11.625 1.00 0.00 C ATOM 341 OE1 GLN A 776 2.321 1.822 11.951 1.00 0.00 O ATOM 342 NE2 GLN A 776 0.944 0.145 12.506 1.00 0.00 N ATOM 0 H GLN A 776 1.125 1.250 7.441 1.00 0.00 H new ATOM 0 HA GLN A 776 3.374 1.879 9.058 1.00 0.00 H new ATOM 0 HB2 GLN A 776 1.763 -0.681 8.730 1.00 0.00 H new ATOM 0 HB3 GLN A 776 2.919 -0.385 10.013 1.00 0.00 H new ATOM 0 HG2 GLN A 776 0.867 1.725 9.742 1.00 0.00 H new ATOM 0 HG3 GLN A 776 0.215 0.146 10.132 1.00 0.00 H new ATOM 0 HE21 GLN A 776 0.281 -0.564 12.194 1.00 0.00 H new ATOM 0 HE22 GLN A 776 1.168 0.234 13.497 1.00 0.00 H new ATOM 351 N ALA A 777 3.800 -0.335 6.655 1.00 0.00 N ATOM 352 CA ALA A 777 4.814 -1.051 5.887 1.00 0.00 C ATOM 353 C ALA A 777 5.808 -0.081 5.259 1.00 0.00 C ATOM 354 O ALA A 777 7.021 -0.271 5.359 1.00 0.00 O ATOM 355 CB ALA A 777 4.162 -1.914 4.814 1.00 0.00 C ATOM 0 H ALA A 777 2.853 -0.425 6.288 1.00 0.00 H new ATOM 0 HA ALA A 777 5.360 -1.701 6.571 1.00 0.00 H new ATOM 0 HB1 ALA A 777 4.933 -2.440 4.252 1.00 0.00 H new ATOM 0 HB2 ALA A 777 3.498 -2.639 5.284 1.00 0.00 H new ATOM 0 HB3 ALA A 777 3.588 -1.281 4.137 1.00 0.00 H new ATOM 361 N LEU A 778 5.287 0.962 4.620 1.00 0.00 N ATOM 362 CA LEU A 778 6.123 1.983 4.002 1.00 0.00 C ATOM 363 C LEU A 778 7.002 2.655 5.048 1.00 0.00 C ATOM 364 O LEU A 778 8.200 2.856 4.836 1.00 0.00 O ATOM 365 CB LEU A 778 5.255 3.034 3.309 1.00 0.00 C ATOM 366 CG LEU A 778 6.022 4.063 2.482 1.00 0.00 C ATOM 367 CD1 LEU A 778 6.223 3.558 1.065 1.00 0.00 C ATOM 368 CD2 LEU A 778 5.291 5.395 2.478 1.00 0.00 C ATOM 0 H LEU A 778 4.285 1.122 4.517 1.00 0.00 H new ATOM 0 HA LEU A 778 6.759 1.500 3.260 1.00 0.00 H new ATOM 0 HB2 LEU A 778 4.544 2.524 2.658 1.00 0.00 H new ATOM 0 HB3 LEU A 778 4.674 3.560 4.066 1.00 0.00 H new ATOM 0 HG LEU A 778 7.001 4.213 2.936 1.00 0.00 H new ATOM 0 HD11 LEU A 778 6.771 4.303 0.488 1.00 0.00 H new ATOM 0 HD12 LEU A 778 6.789 2.627 1.087 1.00 0.00 H new ATOM 0 HD13 LEU A 778 5.253 3.381 0.601 1.00 0.00 H new ATOM 0 HD21 LEU A 778 5.852 6.116 1.884 1.00 0.00 H new ATOM 0 HD22 LEU A 778 4.298 5.264 2.047 1.00 0.00 H new ATOM 0 HD23 LEU A 778 5.197 5.762 3.500 1.00 0.00 H new ATOM 380 N ASN A 779 6.393 2.993 6.177 1.00 0.00 N ATOM 381 CA ASN A 779 7.108 3.611 7.286 1.00 0.00 C ATOM 382 C ASN A 779 8.252 2.715 7.746 1.00 0.00 C ATOM 383 O ASN A 779 9.379 3.175 7.936 1.00 0.00 O ATOM 384 CB ASN A 779 6.151 3.858 8.454 1.00 0.00 C ATOM 385 CG ASN A 779 6.170 5.294 8.934 1.00 0.00 C ATOM 386 OD1 ASN A 779 7.167 6.003 8.787 1.00 0.00 O ATOM 387 ND2 ASN A 779 5.067 5.727 9.523 1.00 0.00 N ATOM 0 H ASN A 779 5.398 2.848 6.349 1.00 0.00 H new ATOM 0 HA ASN A 779 7.517 4.562 6.946 1.00 0.00 H new ATOM 0 HB2 ASN A 779 5.138 3.595 8.150 1.00 0.00 H new ATOM 0 HB3 ASN A 779 6.417 3.200 9.281 1.00 0.00 H new ATOM 0 HD21 ASN A 779 5.019 6.683 9.877 1.00 0.00 H new ATOM 0 HD22 ASN A 779 4.265 5.105 9.623 1.00 0.00 H new ATOM 394 N GLU A 780 7.946 1.428 7.893 1.00 0.00 N ATOM 395 CA GLU A 780 8.912 0.434 8.348 1.00 0.00 C ATOM 396 C GLU A 780 10.116 0.383 7.423 1.00 0.00 C ATOM 397 O GLU A 780 11.264 0.452 7.868 1.00 0.00 O ATOM 398 CB GLU A 780 8.251 -0.947 8.395 1.00 0.00 C ATOM 399 CG GLU A 780 9.191 -2.064 8.816 1.00 0.00 C ATOM 400 CD GLU A 780 8.760 -2.730 10.104 1.00 0.00 C ATOM 401 OE1 GLU A 780 8.394 -2.010 11.058 1.00 0.00 O ATOM 402 OE2 GLU A 780 8.778 -3.977 10.166 1.00 0.00 O ATOM 0 H GLU A 780 7.020 1.046 7.700 1.00 0.00 H new ATOM 0 HA GLU A 780 9.249 0.718 9.345 1.00 0.00 H new ATOM 0 HB2 GLU A 780 7.409 -0.913 9.087 1.00 0.00 H new ATOM 0 HB3 GLU A 780 7.845 -1.179 7.410 1.00 0.00 H new ATOM 0 HG2 GLU A 780 9.240 -2.811 8.024 1.00 0.00 H new ATOM 0 HG3 GLU A 780 10.197 -1.662 8.938 1.00 0.00 H new ATOM 409 N LEU A 781 9.837 0.270 6.134 1.00 0.00 N ATOM 410 CA LEU A 781 10.875 0.168 5.124 1.00 0.00 C ATOM 411 C LEU A 781 11.758 1.410 5.112 1.00 0.00 C ATOM 412 O LEU A 781 12.977 1.308 4.987 1.00 0.00 O ATOM 413 CB LEU A 781 10.237 -0.035 3.753 1.00 0.00 C ATOM 414 CG LEU A 781 11.193 0.078 2.572 1.00 0.00 C ATOM 415 CD1 LEU A 781 11.585 -1.303 2.076 1.00 0.00 C ATOM 416 CD2 LEU A 781 10.555 0.894 1.459 1.00 0.00 C ATOM 0 H LEU A 781 8.888 0.247 5.761 1.00 0.00 H new ATOM 0 HA LEU A 781 11.505 -0.688 5.364 1.00 0.00 H new ATOM 0 HB2 LEU A 781 9.770 -1.019 3.729 1.00 0.00 H new ATOM 0 HB3 LEU A 781 9.441 0.699 3.628 1.00 0.00 H new ATOM 0 HG LEU A 781 12.098 0.591 2.897 1.00 0.00 H new ATOM 0 HD11 LEU A 781 12.268 -1.206 1.232 1.00 0.00 H new ATOM 0 HD12 LEU A 781 12.076 -1.852 2.879 1.00 0.00 H new ATOM 0 HD13 LEU A 781 10.692 -1.843 1.760 1.00 0.00 H new ATOM 0 HD21 LEU A 781 11.247 0.968 0.620 1.00 0.00 H new ATOM 0 HD22 LEU A 781 9.637 0.406 1.130 1.00 0.00 H new ATOM 0 HD23 LEU A 781 10.323 1.893 1.828 1.00 0.00 H new ATOM 428 N LEU A 782 11.138 2.575 5.263 1.00 0.00 N ATOM 429 CA LEU A 782 11.858 3.843 5.213 1.00 0.00 C ATOM 430 C LEU A 782 12.971 3.903 6.258 1.00 0.00 C ATOM 431 O LEU A 782 14.097 4.304 5.952 1.00 0.00 O ATOM 432 CB LEU A 782 10.891 5.012 5.405 1.00 0.00 C ATOM 433 CG LEU A 782 10.526 5.761 4.122 1.00 0.00 C ATOM 434 CD1 LEU A 782 9.537 6.878 4.418 1.00 0.00 C ATOM 435 CD2 LEU A 782 11.777 6.313 3.454 1.00 0.00 C ATOM 0 H LEU A 782 10.135 2.668 5.422 1.00 0.00 H new ATOM 0 HA LEU A 782 12.321 3.919 4.229 1.00 0.00 H new ATOM 0 HB2 LEU A 782 9.976 4.636 5.863 1.00 0.00 H new ATOM 0 HB3 LEU A 782 11.332 5.718 6.108 1.00 0.00 H new ATOM 0 HG LEU A 782 10.052 5.059 3.436 1.00 0.00 H new ATOM 0 HD11 LEU A 782 9.289 7.399 3.493 1.00 0.00 H new ATOM 0 HD12 LEU A 782 8.630 6.456 4.851 1.00 0.00 H new ATOM 0 HD13 LEU A 782 9.982 7.581 5.123 1.00 0.00 H new ATOM 0 HD21 LEU A 782 11.499 6.843 2.543 1.00 0.00 H new ATOM 0 HD22 LEU A 782 12.280 7.000 4.134 1.00 0.00 H new ATOM 0 HD23 LEU A 782 12.449 5.492 3.206 1.00 0.00 H new ATOM 701 N ALA A 801 8.976 8.117 -4.465 1.00 0.00 N ATOM 702 CA ALA A 801 8.145 6.920 -4.431 1.00 0.00 C ATOM 703 C ALA A 801 7.370 6.817 -3.120 1.00 0.00 C ATOM 704 O ALA A 801 6.152 6.624 -3.126 1.00 0.00 O ATOM 705 CB ALA A 801 8.998 5.678 -4.643 1.00 0.00 C ATOM 0 HA ALA A 801 7.420 6.993 -5.241 1.00 0.00 H new ATOM 0 HB1 ALA A 801 8.364 4.792 -4.615 1.00 0.00 H new ATOM 0 HB2 ALA A 801 9.494 5.739 -5.611 1.00 0.00 H new ATOM 0 HB3 ALA A 801 9.748 5.613 -3.854 1.00 0.00 H new ATOM 711 N THR A 802 8.073 6.965 -2.000 1.00 0.00 N ATOM 712 CA THR A 802 7.448 6.867 -0.690 1.00 0.00 C ATOM 713 C THR A 802 6.435 7.988 -0.493 1.00 0.00 C ATOM 714 O THR A 802 5.353 7.779 0.062 1.00 0.00 O ATOM 715 CB THR A 802 8.500 6.923 0.437 1.00 0.00 C ATOM 716 OG1 THR A 802 9.463 7.944 0.157 1.00 0.00 O ATOM 717 CG2 THR A 802 9.207 5.584 0.584 1.00 0.00 C ATOM 0 H THR A 802 9.075 7.153 -1.977 1.00 0.00 H new ATOM 0 HA THR A 802 6.936 5.906 -0.643 1.00 0.00 H new ATOM 0 HB THR A 802 7.987 7.152 1.371 1.00 0.00 H new ATOM 0 HG1 THR A 802 10.126 7.975 0.878 1.00 0.00 H new ATOM 0 HG21 THR A 802 9.944 5.648 1.384 1.00 0.00 H new ATOM 0 HG22 THR A 802 8.477 4.811 0.824 1.00 0.00 H new ATOM 0 HG23 THR A 802 9.708 5.332 -0.351 1.00 0.00 H new ATOM 725 N ASP A 803 6.791 9.175 -0.969 1.00 0.00 N ATOM 726 CA ASP A 803 5.924 10.339 -0.865 1.00 0.00 C ATOM 727 C ASP A 803 4.647 10.132 -1.666 1.00 0.00 C ATOM 728 O ASP A 803 3.550 10.389 -1.171 1.00 0.00 O ATOM 729 CB ASP A 803 6.653 11.589 -1.357 1.00 0.00 C ATOM 730 CG ASP A 803 5.986 12.872 -0.910 1.00 0.00 C ATOM 731 OD1 ASP A 803 5.734 13.028 0.305 1.00 0.00 O ATOM 732 OD2 ASP A 803 5.720 13.735 -1.772 1.00 0.00 O ATOM 0 H ASP A 803 7.681 9.356 -1.434 1.00 0.00 H new ATOM 0 HA ASP A 803 5.658 10.474 0.183 1.00 0.00 H new ATOM 0 HB2 ASP A 803 7.680 11.572 -0.992 1.00 0.00 H new ATOM 0 HB3 ASP A 803 6.702 11.571 -2.446 1.00 0.00 H new ATOM 737 N THR A 804 4.789 9.650 -2.898 1.00 0.00 N ATOM 738 CA THR A 804 3.638 9.389 -3.753 1.00 0.00 C ATOM 739 C THR A 804 2.697 8.384 -3.097 1.00 0.00 C ATOM 740 O THR A 804 1.487 8.598 -3.044 1.00 0.00 O ATOM 741 CB THR A 804 4.067 8.859 -5.138 1.00 0.00 C ATOM 742 OG1 THR A 804 5.073 9.711 -5.700 1.00 0.00 O ATOM 743 CG2 THR A 804 2.879 8.782 -6.089 1.00 0.00 C ATOM 0 H THR A 804 5.690 9.433 -3.325 1.00 0.00 H new ATOM 0 HA THR A 804 3.119 10.337 -3.891 1.00 0.00 H new ATOM 0 HB THR A 804 4.469 7.855 -5.003 1.00 0.00 H new ATOM 0 HG1 THR A 804 5.341 9.366 -6.578 1.00 0.00 H new ATOM 0 HG21 THR A 804 3.211 8.406 -7.056 1.00 0.00 H new ATOM 0 HG22 THR A 804 2.126 8.110 -5.677 1.00 0.00 H new ATOM 0 HG23 THR A 804 2.449 9.775 -6.215 1.00 0.00 H new ATOM 751 N ILE A 805 3.268 7.301 -2.576 1.00 0.00 N ATOM 752 CA ILE A 805 2.488 6.279 -1.892 1.00 0.00 C ATOM 753 C ILE A 805 1.714 6.883 -0.728 1.00 0.00 C ATOM 754 O ILE A 805 0.484 6.830 -0.703 1.00 0.00 O ATOM 755 CB ILE A 805 3.392 5.136 -1.375 1.00 0.00 C ATOM 756 CG1 ILE A 805 3.817 4.243 -2.535 1.00 0.00 C ATOM 757 CG2 ILE A 805 2.688 4.310 -0.303 1.00 0.00 C ATOM 758 CD1 ILE A 805 5.192 3.653 -2.352 1.00 0.00 C ATOM 0 H ILE A 805 4.269 7.110 -2.616 1.00 0.00 H new ATOM 0 HA ILE A 805 1.785 5.866 -2.615 1.00 0.00 H new ATOM 0 HB ILE A 805 4.277 5.584 -0.922 1.00 0.00 H new ATOM 0 HG12 ILE A 805 3.094 3.436 -2.649 1.00 0.00 H new ATOM 0 HG13 ILE A 805 3.796 4.822 -3.458 1.00 0.00 H new ATOM 0 HG21 ILE A 805 3.352 3.515 0.038 1.00 0.00 H new ATOM 0 HG22 ILE A 805 2.428 4.952 0.539 1.00 0.00 H new ATOM 0 HG23 ILE A 805 1.781 3.872 -0.719 1.00 0.00 H new ATOM 0 HD11 ILE A 805 5.437 3.027 -3.210 1.00 0.00 H new ATOM 0 HD12 ILE A 805 5.924 4.456 -2.268 1.00 0.00 H new ATOM 0 HD13 ILE A 805 5.211 3.048 -1.445 1.00 0.00 H new ATOM 770 N LEU A 806 2.445 7.481 0.209 1.00 0.00 N ATOM 771 CA LEU A 806 1.845 8.047 1.416 1.00 0.00 C ATOM 772 C LEU A 806 0.739 9.044 1.089 1.00 0.00 C ATOM 773 O LEU A 806 -0.349 8.968 1.653 1.00 0.00 O ATOM 774 CB LEU A 806 2.908 8.726 2.280 1.00 0.00 C ATOM 775 CG LEU A 806 3.209 8.026 3.610 1.00 0.00 C ATOM 776 CD1 LEU A 806 3.913 8.972 4.570 1.00 0.00 C ATOM 777 CD2 LEU A 806 1.928 7.495 4.238 1.00 0.00 C ATOM 0 H LEU A 806 3.458 7.587 0.156 1.00 0.00 H new ATOM 0 HA LEU A 806 1.402 7.219 1.969 1.00 0.00 H new ATOM 0 HB2 LEU A 806 3.832 8.794 1.706 1.00 0.00 H new ATOM 0 HB3 LEU A 806 2.587 9.746 2.489 1.00 0.00 H new ATOM 0 HG LEU A 806 3.872 7.185 3.407 1.00 0.00 H new ATOM 0 HD11 LEU A 806 4.117 8.454 5.507 1.00 0.00 H new ATOM 0 HD12 LEU A 806 4.852 9.306 4.128 1.00 0.00 H new ATOM 0 HD13 LEU A 806 3.276 9.835 4.763 1.00 0.00 H new ATOM 0 HD21 LEU A 806 2.163 7.002 5.181 1.00 0.00 H new ATOM 0 HD22 LEU A 806 1.243 8.323 4.422 1.00 0.00 H new ATOM 0 HD23 LEU A 806 1.460 6.780 3.561 1.00 0.00 H new ATOM 789 N THR A 807 1.016 9.975 0.179 1.00 0.00 N ATOM 790 CA THR A 807 0.027 10.980 -0.194 1.00 0.00 C ATOM 791 C THR A 807 -1.216 10.320 -0.788 1.00 0.00 C ATOM 792 O THR A 807 -2.339 10.727 -0.502 1.00 0.00 O ATOM 793 CB THR A 807 0.593 12.007 -1.199 1.00 0.00 C ATOM 794 OG1 THR A 807 1.935 12.368 -0.839 1.00 0.00 O ATOM 795 CG2 THR A 807 -0.273 13.257 -1.237 1.00 0.00 C ATOM 0 H THR A 807 1.908 10.054 -0.309 1.00 0.00 H new ATOM 0 HA THR A 807 -0.242 11.511 0.719 1.00 0.00 H new ATOM 0 HB THR A 807 0.594 11.547 -2.187 1.00 0.00 H new ATOM 0 HG1 THR A 807 2.563 11.725 -1.230 1.00 0.00 H new ATOM 0 HG21 THR A 807 0.144 13.967 -1.951 1.00 0.00 H new ATOM 0 HG22 THR A 807 -1.285 12.989 -1.540 1.00 0.00 H new ATOM 0 HG23 THR A 807 -0.299 13.712 -0.247 1.00 0.00 H new ATOM 803 N VAL A 808 -1.010 9.284 -1.591 1.00 0.00 N ATOM 804 CA VAL A 808 -2.118 8.563 -2.199 1.00 0.00 C ATOM 805 C VAL A 808 -2.976 7.887 -1.126 1.00 0.00 C ATOM 806 O VAL A 808 -4.201 8.009 -1.139 1.00 0.00 O ATOM 807 CB VAL A 808 -1.614 7.517 -3.223 1.00 0.00 C ATOM 808 CG1 VAL A 808 -2.625 6.399 -3.419 1.00 0.00 C ATOM 809 CG2 VAL A 808 -1.301 8.189 -4.551 1.00 0.00 C ATOM 0 H VAL A 808 -0.087 8.925 -1.835 1.00 0.00 H new ATOM 0 HA VAL A 808 -2.732 9.288 -2.732 1.00 0.00 H new ATOM 0 HB VAL A 808 -0.701 7.073 -2.827 1.00 0.00 H new ATOM 0 HG11 VAL A 808 -2.239 5.682 -4.144 1.00 0.00 H new ATOM 0 HG12 VAL A 808 -2.799 5.895 -2.468 1.00 0.00 H new ATOM 0 HG13 VAL A 808 -3.563 6.817 -3.785 1.00 0.00 H new ATOM 0 HG21 VAL A 808 -0.948 7.442 -5.262 1.00 0.00 H new ATOM 0 HG22 VAL A 808 -2.202 8.663 -4.940 1.00 0.00 H new ATOM 0 HG23 VAL A 808 -0.529 8.944 -4.404 1.00 0.00 H new ATOM 819 N THR A 809 -2.331 7.198 -0.184 1.00 0.00 N ATOM 820 CA THR A 809 -3.051 6.547 0.907 1.00 0.00 C ATOM 821 C THR A 809 -3.769 7.584 1.762 1.00 0.00 C ATOM 822 O THR A 809 -4.918 7.392 2.168 1.00 0.00 O ATOM 823 CB THR A 809 -2.104 5.722 1.801 1.00 0.00 C ATOM 824 OG1 THR A 809 -0.928 5.359 1.071 1.00 0.00 O ATOM 825 CG2 THR A 809 -2.794 4.467 2.305 1.00 0.00 C ATOM 0 H THR A 809 -1.319 7.078 -0.155 1.00 0.00 H new ATOM 0 HA THR A 809 -3.778 5.871 0.457 1.00 0.00 H new ATOM 0 HB THR A 809 -1.825 6.337 2.657 1.00 0.00 H new ATOM 0 HG1 THR A 809 -0.333 4.837 1.648 1.00 0.00 H new ATOM 0 HG21 THR A 809 -2.106 3.901 2.933 1.00 0.00 H new ATOM 0 HG22 THR A 809 -3.673 4.744 2.887 1.00 0.00 H new ATOM 0 HG23 THR A 809 -3.099 3.854 1.457 1.00 0.00 H new ATOM 833 N GLU A 810 -3.082 8.692 2.008 1.00 0.00 N ATOM 834 CA GLU A 810 -3.635 9.806 2.760 1.00 0.00 C ATOM 835 C GLU A 810 -4.893 10.350 2.067 1.00 0.00 C ATOM 836 O GLU A 810 -5.880 10.682 2.726 1.00 0.00 O ATOM 837 CB GLU A 810 -2.558 10.890 2.919 1.00 0.00 C ATOM 838 CG GLU A 810 -3.095 12.306 3.016 1.00 0.00 C ATOM 839 CD GLU A 810 -3.596 12.656 4.401 1.00 0.00 C ATOM 840 OE1 GLU A 810 -3.085 12.087 5.390 1.00 0.00 O ATOM 841 OE2 GLU A 810 -4.504 13.506 4.507 1.00 0.00 O ATOM 0 H GLU A 810 -2.124 8.842 1.690 1.00 0.00 H new ATOM 0 HA GLU A 810 -3.936 9.470 3.752 1.00 0.00 H new ATOM 0 HB2 GLU A 810 -1.974 10.675 3.814 1.00 0.00 H new ATOM 0 HB3 GLU A 810 -1.875 10.832 2.071 1.00 0.00 H new ATOM 0 HG2 GLU A 810 -2.310 13.007 2.732 1.00 0.00 H new ATOM 0 HG3 GLU A 810 -3.907 12.430 2.300 1.00 0.00 H new ATOM 848 N ASN A 811 -4.860 10.406 0.738 1.00 0.00 N ATOM 849 CA ASN A 811 -5.998 10.887 -0.047 1.00 0.00 C ATOM 850 C ASN A 811 -7.161 9.901 0.005 1.00 0.00 C ATOM 851 O ASN A 811 -8.324 10.300 0.043 1.00 0.00 O ATOM 852 CB ASN A 811 -5.594 11.113 -1.507 1.00 0.00 C ATOM 853 CG ASN A 811 -4.675 12.305 -1.693 1.00 0.00 C ATOM 854 OD1 ASN A 811 -4.609 13.201 -0.850 1.00 0.00 O ATOM 855 ND2 ASN A 811 -3.957 12.318 -2.805 1.00 0.00 N ATOM 0 H ASN A 811 -4.055 10.123 0.179 1.00 0.00 H new ATOM 0 HA ASN A 811 -6.317 11.833 0.391 1.00 0.00 H new ATOM 0 HB2 ASN A 811 -5.099 10.218 -1.883 1.00 0.00 H new ATOM 0 HB3 ASN A 811 -6.492 11.257 -2.108 1.00 0.00 H new ATOM 0 HD21 ASN A 811 -3.318 13.091 -2.990 1.00 0.00 H new ATOM 0 HD22 ASN A 811 -4.043 11.555 -3.476 1.00 0.00 H new ATOM 862 N ILE A 812 -6.842 8.609 0.000 1.00 0.00 N ATOM 863 CA ILE A 812 -7.863 7.566 0.074 1.00 0.00 C ATOM 864 C ILE A 812 -8.660 7.689 1.370 1.00 0.00 C ATOM 865 O ILE A 812 -9.857 7.412 1.401 1.00 0.00 O ATOM 866 CB ILE A 812 -7.243 6.149 -0.034 1.00 0.00 C ATOM 867 CG1 ILE A 812 -6.891 5.839 -1.489 1.00 0.00 C ATOM 868 CG2 ILE A 812 -8.187 5.080 0.512 1.00 0.00 C ATOM 869 CD1 ILE A 812 -5.571 5.118 -1.653 1.00 0.00 C ATOM 0 H ILE A 812 -5.885 8.259 -0.054 1.00 0.00 H new ATOM 0 HA ILE A 812 -8.534 7.705 -0.774 1.00 0.00 H new ATOM 0 HB ILE A 812 -6.336 6.136 0.570 1.00 0.00 H new ATOM 0 HG12 ILE A 812 -7.684 5.231 -1.924 1.00 0.00 H new ATOM 0 HG13 ILE A 812 -6.859 6.771 -2.053 1.00 0.00 H new ATOM 0 HG21 ILE A 812 -7.719 4.100 0.420 1.00 0.00 H new ATOM 0 HG22 ILE A 812 -8.399 5.284 1.562 1.00 0.00 H new ATOM 0 HG23 ILE A 812 -9.118 5.092 -0.055 1.00 0.00 H new ATOM 0 HD11 ILE A 812 -5.387 4.931 -2.711 1.00 0.00 H new ATOM 0 HD12 ILE A 812 -4.768 5.733 -1.248 1.00 0.00 H new ATOM 0 HD13 ILE A 812 -5.606 4.169 -1.118 1.00 0.00 H new ATOM 881 N PHE A 813 -7.992 8.121 2.431 1.00 0.00 N ATOM 882 CA PHE A 813 -8.649 8.314 3.717 1.00 0.00 C ATOM 883 C PHE A 813 -9.695 9.421 3.628 1.00 0.00 C ATOM 884 O PHE A 813 -10.793 9.294 4.169 1.00 0.00 O ATOM 885 CB PHE A 813 -7.618 8.646 4.799 1.00 0.00 C ATOM 886 CG PHE A 813 -6.872 7.443 5.302 1.00 0.00 C ATOM 887 CD1 PHE A 813 -7.556 6.336 5.777 1.00 0.00 C ATOM 888 CD2 PHE A 813 -5.486 7.417 5.298 1.00 0.00 C ATOM 889 CE1 PHE A 813 -6.875 5.225 6.235 1.00 0.00 C ATOM 890 CE2 PHE A 813 -4.798 6.309 5.757 1.00 0.00 C ATOM 891 CZ PHE A 813 -5.495 5.212 6.226 1.00 0.00 C ATOM 0 H PHE A 813 -6.997 8.344 2.427 1.00 0.00 H new ATOM 0 HA PHE A 813 -9.152 7.385 3.986 1.00 0.00 H new ATOM 0 HB2 PHE A 813 -6.904 9.367 4.401 1.00 0.00 H new ATOM 0 HB3 PHE A 813 -8.123 9.127 5.636 1.00 0.00 H new ATOM 0 HD1 PHE A 813 -8.636 6.342 5.789 1.00 0.00 H new ATOM 0 HD2 PHE A 813 -4.937 8.272 4.932 1.00 0.00 H new ATOM 0 HE1 PHE A 813 -7.422 4.368 6.600 1.00 0.00 H new ATOM 0 HE2 PHE A 813 -3.718 6.301 5.749 1.00 0.00 H new ATOM 0 HZ PHE A 813 -4.960 4.345 6.585 1.00 0.00 H new ATOM 901 N SER A 814 -9.358 10.498 2.927 1.00 0.00 N ATOM 902 CA SER A 814 -10.263 11.627 2.777 1.00 0.00 C ATOM 903 C SER A 814 -11.400 11.288 1.811 1.00 0.00 C ATOM 904 O SER A 814 -12.549 11.682 2.017 1.00 0.00 O ATOM 905 CB SER A 814 -9.485 12.843 2.278 1.00 0.00 C ATOM 906 OG SER A 814 -8.120 12.517 2.058 1.00 0.00 O ATOM 0 H SER A 814 -8.462 10.611 2.453 1.00 0.00 H new ATOM 0 HA SER A 814 -10.704 11.856 3.747 1.00 0.00 H new ATOM 0 HB2 SER A 814 -9.929 13.209 1.352 1.00 0.00 H new ATOM 0 HB3 SER A 814 -9.557 13.650 3.007 1.00 0.00 H new ATOM 0 HG SER A 814 -7.642 13.310 1.737 1.00 0.00 H new ATOM 912 N SER A 815 -11.073 10.544 0.764 1.00 0.00 N ATOM 913 CA SER A 815 -12.054 10.149 -0.239 1.00 0.00 C ATOM 914 C SER A 815 -12.662 8.783 0.084 1.00 0.00 C ATOM 915 O SER A 815 -13.226 8.119 -0.790 1.00 0.00 O ATOM 916 CB SER A 815 -11.399 10.122 -1.619 1.00 0.00 C ATOM 917 OG SER A 815 -10.779 11.363 -1.911 1.00 0.00 O ATOM 0 H SER A 815 -10.130 10.199 0.586 1.00 0.00 H new ATOM 0 HA SER A 815 -12.861 10.882 -0.234 1.00 0.00 H new ATOM 0 HB2 SER A 815 -10.658 9.323 -1.659 1.00 0.00 H new ATOM 0 HB3 SER A 815 -12.149 9.899 -2.377 1.00 0.00 H new ATOM 0 HG SER A 815 -9.924 11.203 -2.362 1.00 0.00 H new ATOM 923 N MET A 816 -12.548 8.368 1.342 1.00 0.00 N ATOM 924 CA MET A 816 -13.066 7.077 1.774 1.00 0.00 C ATOM 925 C MET A 816 -14.586 7.057 1.707 1.00 0.00 C ATOM 926 O MET A 816 -15.260 7.830 2.387 1.00 0.00 O ATOM 927 CB MET A 816 -12.604 6.757 3.193 1.00 0.00 C ATOM 928 CG MET A 816 -12.340 5.279 3.419 1.00 0.00 C ATOM 929 SD MET A 816 -12.462 4.810 5.154 1.00 0.00 S ATOM 930 CE MET A 816 -10.737 4.528 5.538 1.00 0.00 C ATOM 0 H MET A 816 -12.100 8.910 2.081 1.00 0.00 H new ATOM 0 HA MET A 816 -12.675 6.316 1.098 1.00 0.00 H new ATOM 0 HB2 MET A 816 -11.695 7.318 3.407 1.00 0.00 H new ATOM 0 HB3 MET A 816 -13.362 7.096 3.900 1.00 0.00 H new ATOM 0 HG2 MET A 816 -13.052 4.694 2.837 1.00 0.00 H new ATOM 0 HG3 MET A 816 -11.345 5.031 3.049 1.00 0.00 H new ATOM 0 HE1 MET A 816 -10.581 4.633 6.612 1.00 0.00 H new ATOM 0 HE2 MET A 816 -10.455 3.522 5.227 1.00 0.00 H new ATOM 0 HE3 MET A 816 -10.123 5.257 5.009 1.00 0.00 H new ATOM 940 N GLY A 817 -15.113 6.178 0.875 1.00 0.00 N ATOM 941 CA GLY A 817 -16.546 6.082 0.706 1.00 0.00 C ATOM 942 C GLY A 817 -16.985 6.559 -0.659 1.00 0.00 C ATOM 943 O GLY A 817 -18.102 6.287 -1.090 1.00 0.00 O ATOM 0 H GLY A 817 -14.571 5.524 0.309 1.00 0.00 H new ATOM 0 HA2 GLY A 817 -16.860 5.048 0.848 1.00 0.00 H new ATOM 0 HA3 GLY A 817 -17.043 6.674 1.475 1.00 0.00 H new ATOM 947 N ASP A 818 -16.097 7.269 -1.348 1.00 0.00 N ATOM 948 CA ASP A 818 -16.403 7.796 -2.677 1.00 0.00 C ATOM 949 C ASP A 818 -16.305 6.702 -3.723 1.00 0.00 C ATOM 950 O ASP A 818 -16.900 6.794 -4.800 1.00 0.00 O ATOM 951 CB ASP A 818 -15.464 8.952 -3.031 1.00 0.00 C ATOM 952 CG ASP A 818 -15.636 9.425 -4.463 1.00 0.00 C ATOM 953 OD1 ASP A 818 -16.678 10.037 -4.768 1.00 0.00 O ATOM 954 OD2 ASP A 818 -14.728 9.187 -5.287 1.00 0.00 O ATOM 0 H ASP A 818 -15.161 7.493 -1.010 1.00 0.00 H new ATOM 0 HA ASP A 818 -17.426 8.172 -2.663 1.00 0.00 H new ATOM 0 HB2 ASP A 818 -15.647 9.785 -2.352 1.00 0.00 H new ATOM 0 HB3 ASP A 818 -14.432 8.637 -2.878 1.00 0.00 H new ATOM 959 N ALA A 819 -15.557 5.671 -3.372 1.00 0.00 N ATOM 960 CA ALA A 819 -15.323 4.504 -4.228 1.00 0.00 C ATOM 961 C ALA A 819 -14.458 4.847 -5.443 1.00 0.00 C ATOM 962 O ALA A 819 -13.366 4.307 -5.598 1.00 0.00 O ATOM 963 CB ALA A 819 -16.642 3.876 -4.669 1.00 0.00 C ATOM 0 H ALA A 819 -15.084 5.613 -2.470 1.00 0.00 H new ATOM 0 HA ALA A 819 -14.774 3.776 -3.631 1.00 0.00 H new ATOM 0 HB1 ALA A 819 -16.440 3.013 -5.303 1.00 0.00 H new ATOM 0 HB2 ALA A 819 -17.205 3.558 -3.791 1.00 0.00 H new ATOM 0 HB3 ALA A 819 -17.225 4.608 -5.228 1.00 0.00 H new ATOM 969 N GLY A 820 -14.941 5.759 -6.279 1.00 0.00 N ATOM 970 CA GLY A 820 -14.251 6.102 -7.511 1.00 0.00 C ATOM 971 C GLY A 820 -12.847 6.624 -7.276 1.00 0.00 C ATOM 972 O GLY A 820 -11.881 6.096 -7.832 1.00 0.00 O ATOM 0 H GLY A 820 -15.808 6.273 -6.124 1.00 0.00 H new ATOM 0 HA2 GLY A 820 -14.203 5.222 -8.152 1.00 0.00 H new ATOM 0 HA3 GLY A 820 -14.828 6.855 -8.047 1.00 0.00 H new ATOM 976 N GLU A 821 -12.728 7.653 -6.444 1.00 0.00 N ATOM 977 CA GLU A 821 -11.427 8.226 -6.125 1.00 0.00 C ATOM 978 C GLU A 821 -10.547 7.205 -5.420 1.00 0.00 C ATOM 979 O GLU A 821 -9.330 7.202 -5.578 1.00 0.00 O ATOM 980 CB GLU A 821 -11.590 9.468 -5.249 1.00 0.00 C ATOM 981 CG GLU A 821 -10.421 10.436 -5.341 1.00 0.00 C ATOM 982 CD GLU A 821 -10.343 11.137 -6.684 1.00 0.00 C ATOM 983 OE1 GLU A 821 -10.644 10.504 -7.715 1.00 0.00 O ATOM 984 OE2 GLU A 821 -9.980 12.331 -6.718 1.00 0.00 O ATOM 0 H GLU A 821 -13.515 8.106 -5.980 1.00 0.00 H new ATOM 0 HA GLU A 821 -10.946 8.514 -7.060 1.00 0.00 H new ATOM 0 HB2 GLU A 821 -12.504 9.987 -5.536 1.00 0.00 H new ATOM 0 HB3 GLU A 821 -11.712 9.157 -4.212 1.00 0.00 H new ATOM 0 HG2 GLU A 821 -10.510 11.182 -4.551 1.00 0.00 H new ATOM 0 HG3 GLU A 821 -9.492 9.894 -5.164 1.00 0.00 H new ATOM 991 N MET A 822 -11.176 6.324 -4.657 1.00 0.00 N ATOM 992 CA MET A 822 -10.454 5.298 -3.926 1.00 0.00 C ATOM 993 C MET A 822 -9.801 4.318 -4.888 1.00 0.00 C ATOM 994 O MET A 822 -8.628 3.988 -4.745 1.00 0.00 O ATOM 995 CB MET A 822 -11.391 4.549 -2.984 1.00 0.00 C ATOM 996 CG MET A 822 -11.809 5.356 -1.768 1.00 0.00 C ATOM 997 SD MET A 822 -13.204 4.614 -0.902 1.00 0.00 S ATOM 998 CE MET A 822 -12.678 2.905 -0.853 1.00 0.00 C ATOM 0 H MET A 822 -12.188 6.300 -4.529 1.00 0.00 H new ATOM 0 HA MET A 822 -9.678 5.786 -3.336 1.00 0.00 H new ATOM 0 HB2 MET A 822 -12.283 4.251 -3.535 1.00 0.00 H new ATOM 0 HB3 MET A 822 -10.901 3.634 -2.651 1.00 0.00 H new ATOM 0 HG2 MET A 822 -10.964 5.443 -1.084 1.00 0.00 H new ATOM 0 HG3 MET A 822 -12.073 6.367 -2.079 1.00 0.00 H new ATOM 0 HE1 MET A 822 -13.272 2.362 -0.118 1.00 0.00 H new ATOM 0 HE2 MET A 822 -12.816 2.454 -1.835 1.00 0.00 H new ATOM 0 HE3 MET A 822 -11.625 2.856 -0.576 1.00 0.00 H new ATOM 1008 N VAL A 823 -10.569 3.869 -5.875 1.00 0.00 N ATOM 1009 CA VAL A 823 -10.064 2.943 -6.881 1.00 0.00 C ATOM 1010 C VAL A 823 -8.982 3.612 -7.723 1.00 0.00 C ATOM 1011 O VAL A 823 -7.940 3.015 -8.002 1.00 0.00 O ATOM 1012 CB VAL A 823 -11.198 2.433 -7.800 1.00 0.00 C ATOM 1013 CG1 VAL A 823 -10.643 1.586 -8.936 1.00 0.00 C ATOM 1014 CG2 VAL A 823 -12.219 1.642 -6.997 1.00 0.00 C ATOM 0 H VAL A 823 -11.546 4.133 -5.999 1.00 0.00 H new ATOM 0 HA VAL A 823 -9.638 2.088 -6.357 1.00 0.00 H new ATOM 0 HB VAL A 823 -11.694 3.300 -8.236 1.00 0.00 H new ATOM 0 HG11 VAL A 823 -11.462 1.241 -9.566 1.00 0.00 H new ATOM 0 HG12 VAL A 823 -9.954 2.184 -9.532 1.00 0.00 H new ATOM 0 HG13 VAL A 823 -10.115 0.726 -8.524 1.00 0.00 H new ATOM 0 HG21 VAL A 823 -13.010 1.291 -7.660 1.00 0.00 H new ATOM 0 HG22 VAL A 823 -11.731 0.787 -6.529 1.00 0.00 H new ATOM 0 HG23 VAL A 823 -12.649 2.281 -6.226 1.00 0.00 H new ATOM 1024 N ARG A 824 -9.233 4.859 -8.110 1.00 0.00 N ATOM 1025 CA ARG A 824 -8.273 5.632 -8.890 1.00 0.00 C ATOM 1026 C ARG A 824 -6.960 5.776 -8.130 1.00 0.00 C ATOM 1027 O ARG A 824 -5.891 5.458 -8.655 1.00 0.00 O ATOM 1028 CB ARG A 824 -8.841 7.016 -9.217 1.00 0.00 C ATOM 1029 CG ARG A 824 -8.362 7.571 -10.550 1.00 0.00 C ATOM 1030 CD ARG A 824 -7.619 8.888 -10.375 1.00 0.00 C ATOM 1031 NE ARG A 824 -8.463 9.919 -9.770 1.00 0.00 N ATOM 1032 CZ ARG A 824 -8.897 11.008 -10.407 1.00 0.00 C ATOM 1033 NH1 ARG A 824 -8.577 11.224 -11.677 1.00 0.00 N ATOM 1034 NH2 ARG A 824 -9.667 11.878 -9.771 1.00 0.00 N ATOM 0 H ARG A 824 -10.097 5.357 -7.895 1.00 0.00 H new ATOM 0 HA ARG A 824 -8.083 5.100 -9.822 1.00 0.00 H new ATOM 0 HB2 ARG A 824 -9.930 6.960 -9.226 1.00 0.00 H new ATOM 0 HB3 ARG A 824 -8.564 7.710 -8.423 1.00 0.00 H new ATOM 0 HG2 ARG A 824 -7.708 6.845 -11.033 1.00 0.00 H new ATOM 0 HG3 ARG A 824 -9.216 7.720 -11.211 1.00 0.00 H new ATOM 0 HD2 ARG A 824 -6.740 8.728 -9.751 1.00 0.00 H new ATOM 0 HD3 ARG A 824 -7.263 9.235 -11.345 1.00 0.00 H new ATOM 0 HE ARG A 824 -8.738 9.797 -8.795 1.00 0.00 H new ATOM 0 HH11 ARG A 824 -7.993 10.554 -12.177 1.00 0.00 H new ATOM 0 HH12 ARG A 824 -8.915 12.060 -12.153 1.00 0.00 H new ATOM 0 HH21 ARG A 824 -9.926 11.714 -8.798 1.00 0.00 H new ATOM 0 HH22 ARG A 824 -10.001 12.712 -10.254 1.00 0.00 H new ATOM 1048 N GLN A 825 -7.052 6.242 -6.891 1.00 0.00 N ATOM 1049 CA GLN A 825 -5.880 6.430 -6.049 1.00 0.00 C ATOM 1050 C GLN A 825 -5.171 5.100 -5.803 1.00 0.00 C ATOM 1051 O GLN A 825 -3.948 5.019 -5.884 1.00 0.00 O ATOM 1052 CB GLN A 825 -6.279 7.060 -4.711 1.00 0.00 C ATOM 1053 CG GLN A 825 -6.393 8.583 -4.720 1.00 0.00 C ATOM 1054 CD GLN A 825 -6.341 9.207 -6.104 1.00 0.00 C ATOM 1055 OE1 GLN A 825 -7.311 9.160 -6.860 1.00 0.00 O ATOM 1056 NE2 GLN A 825 -5.210 9.804 -6.441 1.00 0.00 N ATOM 0 H GLN A 825 -7.933 6.498 -6.446 1.00 0.00 H new ATOM 0 HA GLN A 825 -5.195 7.100 -6.568 1.00 0.00 H new ATOM 0 HB2 GLN A 825 -7.237 6.641 -4.401 1.00 0.00 H new ATOM 0 HB3 GLN A 825 -5.546 6.771 -3.958 1.00 0.00 H new ATOM 0 HG2 GLN A 825 -7.330 8.868 -4.241 1.00 0.00 H new ATOM 0 HG3 GLN A 825 -5.587 8.999 -4.116 1.00 0.00 H new ATOM 0 HE21 GLN A 825 -4.428 9.822 -5.786 1.00 0.00 H new ATOM 0 HE22 GLN A 825 -5.120 10.247 -7.356 1.00 0.00 H new ATOM 1065 N ALA A 826 -5.949 4.056 -5.519 1.00 0.00 N ATOM 1066 CA ALA A 826 -5.395 2.732 -5.249 1.00 0.00 C ATOM 1067 C ALA A 826 -4.591 2.214 -6.439 1.00 0.00 C ATOM 1068 O ALA A 826 -3.564 1.555 -6.268 1.00 0.00 O ATOM 1069 CB ALA A 826 -6.506 1.753 -4.895 1.00 0.00 C ATOM 0 H ALA A 826 -6.967 4.103 -5.470 1.00 0.00 H new ATOM 0 HA ALA A 826 -4.718 2.820 -4.399 1.00 0.00 H new ATOM 0 HB1 ALA A 826 -6.076 0.771 -4.697 1.00 0.00 H new ATOM 0 HB2 ALA A 826 -7.032 2.105 -4.007 1.00 0.00 H new ATOM 0 HB3 ALA A 826 -7.206 1.681 -5.727 1.00 0.00 H new ATOM 1075 N ARG A 827 -5.055 2.523 -7.645 1.00 0.00 N ATOM 1076 CA ARG A 827 -4.345 2.135 -8.858 1.00 0.00 C ATOM 1077 C ARG A 827 -2.975 2.809 -8.908 1.00 0.00 C ATOM 1078 O ARG A 827 -1.983 2.204 -9.323 1.00 0.00 O ATOM 1079 CB ARG A 827 -5.157 2.509 -10.096 1.00 0.00 C ATOM 1080 CG ARG A 827 -6.271 1.525 -10.420 1.00 0.00 C ATOM 1081 CD ARG A 827 -7.059 1.947 -11.654 1.00 0.00 C ATOM 1082 NE ARG A 827 -6.390 3.013 -12.404 1.00 0.00 N ATOM 1083 CZ ARG A 827 -7.010 4.081 -12.901 1.00 0.00 C ATOM 1084 NH1 ARG A 827 -8.327 4.209 -12.784 1.00 0.00 N ATOM 1085 NH2 ARG A 827 -6.308 5.010 -13.535 1.00 0.00 N ATOM 0 H ARG A 827 -5.919 3.040 -7.808 1.00 0.00 H new ATOM 0 HA ARG A 827 -4.207 1.054 -8.845 1.00 0.00 H new ATOM 0 HB2 ARG A 827 -5.590 3.498 -9.950 1.00 0.00 H new ATOM 0 HB3 ARG A 827 -4.486 2.578 -10.952 1.00 0.00 H new ATOM 0 HG2 ARG A 827 -5.845 0.535 -10.582 1.00 0.00 H new ATOM 0 HG3 ARG A 827 -6.946 1.446 -9.567 1.00 0.00 H new ATOM 0 HD2 ARG A 827 -7.202 1.084 -12.304 1.00 0.00 H new ATOM 0 HD3 ARG A 827 -8.050 2.286 -11.351 1.00 0.00 H new ATOM 0 HE ARG A 827 -5.385 2.932 -12.555 1.00 0.00 H new ATOM 0 HH11 ARG A 827 -8.870 3.486 -12.311 1.00 0.00 H new ATOM 0 HH12 ARG A 827 -8.796 5.030 -13.167 1.00 0.00 H new ATOM 0 HH21 ARG A 827 -5.299 4.904 -13.640 1.00 0.00 H new ATOM 0 HH22 ARG A 827 -6.777 5.831 -13.918 1.00 0.00 H new ATOM 1099 N ILE A 828 -2.928 4.063 -8.473 1.00 0.00 N ATOM 1100 CA ILE A 828 -1.677 4.806 -8.398 1.00 0.00 C ATOM 1101 C ILE A 828 -0.807 4.256 -7.271 1.00 0.00 C ATOM 1102 O ILE A 828 0.414 4.160 -7.401 1.00 0.00 O ATOM 1103 CB ILE A 828 -1.925 6.315 -8.174 1.00 0.00 C ATOM 1104 CG1 ILE A 828 -2.872 6.864 -9.243 1.00 0.00 C ATOM 1105 CG2 ILE A 828 -0.611 7.088 -8.186 1.00 0.00 C ATOM 1106 CD1 ILE A 828 -3.821 7.925 -8.730 1.00 0.00 C ATOM 0 H ILE A 828 -3.747 4.588 -8.166 1.00 0.00 H new ATOM 0 HA ILE A 828 -1.162 4.685 -9.351 1.00 0.00 H new ATOM 0 HB ILE A 828 -2.389 6.442 -7.196 1.00 0.00 H new ATOM 0 HG12 ILE A 828 -2.282 7.281 -10.059 1.00 0.00 H new ATOM 0 HG13 ILE A 828 -3.453 6.040 -9.659 1.00 0.00 H new ATOM 0 HG21 ILE A 828 -0.811 8.148 -8.026 1.00 0.00 H new ATOM 0 HG22 ILE A 828 0.037 6.717 -7.391 1.00 0.00 H new ATOM 0 HG23 ILE A 828 -0.118 6.953 -9.149 1.00 0.00 H new ATOM 0 HD11 ILE A 828 -4.460 8.266 -9.544 1.00 0.00 H new ATOM 0 HD12 ILE A 828 -4.438 7.507 -7.935 1.00 0.00 H new ATOM 0 HD13 ILE A 828 -3.249 8.767 -8.341 1.00 0.00 H new ATOM 1118 N LEU A 829 -1.454 3.885 -6.170 1.00 0.00 N ATOM 1119 CA LEU A 829 -0.775 3.270 -5.034 1.00 0.00 C ATOM 1120 C LEU A 829 -0.016 2.024 -5.484 1.00 0.00 C ATOM 1121 O LEU A 829 1.167 1.858 -5.179 1.00 0.00 O ATOM 1122 CB LEU A 829 -1.798 2.902 -3.948 1.00 0.00 C ATOM 1123 CG LEU A 829 -1.226 2.598 -2.557 1.00 0.00 C ATOM 1124 CD1 LEU A 829 0.045 3.394 -2.304 1.00 0.00 C ATOM 1125 CD2 LEU A 829 -2.260 2.899 -1.483 1.00 0.00 C ATOM 0 H LEU A 829 -2.459 4.001 -6.040 1.00 0.00 H new ATOM 0 HA LEU A 829 -0.062 3.984 -4.622 1.00 0.00 H new ATOM 0 HB2 LEU A 829 -2.509 3.723 -3.855 1.00 0.00 H new ATOM 0 HB3 LEU A 829 -2.359 2.031 -4.286 1.00 0.00 H new ATOM 0 HG LEU A 829 -0.976 1.538 -2.518 1.00 0.00 H new ATOM 0 HD11 LEU A 829 0.429 3.160 -1.311 1.00 0.00 H new ATOM 0 HD12 LEU A 829 0.793 3.134 -3.053 1.00 0.00 H new ATOM 0 HD13 LEU A 829 -0.175 4.460 -2.366 1.00 0.00 H new ATOM 0 HD21 LEU A 829 -1.840 2.679 -0.502 1.00 0.00 H new ATOM 0 HD22 LEU A 829 -2.538 3.952 -1.531 1.00 0.00 H new ATOM 0 HD23 LEU A 829 -3.144 2.283 -1.646 1.00 0.00 H new ATOM 1137 N ALA A 830 -0.700 1.164 -6.227 1.00 0.00 N ATOM 1138 CA ALA A 830 -0.091 -0.048 -6.755 1.00 0.00 C ATOM 1139 C ALA A 830 1.089 0.287 -7.664 1.00 0.00 C ATOM 1140 O ALA A 830 2.141 -0.344 -7.586 1.00 0.00 O ATOM 1141 CB ALA A 830 -1.123 -0.875 -7.505 1.00 0.00 C ATOM 0 H ALA A 830 -1.681 1.285 -6.478 1.00 0.00 H new ATOM 0 HA ALA A 830 0.284 -0.635 -5.916 1.00 0.00 H new ATOM 0 HB1 ALA A 830 -0.653 -1.778 -7.894 1.00 0.00 H new ATOM 0 HB2 ALA A 830 -1.931 -1.150 -6.827 1.00 0.00 H new ATOM 0 HB3 ALA A 830 -1.526 -0.291 -8.332 1.00 0.00 H new ATOM 1147 N GLN A 831 0.908 1.301 -8.503 1.00 0.00 N ATOM 1148 CA GLN A 831 1.938 1.721 -9.447 1.00 0.00 C ATOM 1149 C GLN A 831 3.188 2.216 -8.720 1.00 0.00 C ATOM 1150 O GLN A 831 4.308 1.816 -9.044 1.00 0.00 O ATOM 1151 CB GLN A 831 1.401 2.826 -10.361 1.00 0.00 C ATOM 1152 CG GLN A 831 2.225 3.028 -11.621 1.00 0.00 C ATOM 1153 CD GLN A 831 2.360 1.758 -12.431 1.00 0.00 C ATOM 1154 OE1 GLN A 831 1.364 1.117 -12.772 1.00 0.00 O ATOM 1155 NE2 GLN A 831 3.589 1.383 -12.749 1.00 0.00 N ATOM 0 H GLN A 831 0.050 1.851 -8.549 1.00 0.00 H new ATOM 0 HA GLN A 831 2.211 0.854 -10.049 1.00 0.00 H new ATOM 0 HB2 GLN A 831 0.375 2.587 -10.642 1.00 0.00 H new ATOM 0 HB3 GLN A 831 1.369 3.763 -9.804 1.00 0.00 H new ATOM 0 HG2 GLN A 831 1.761 3.800 -12.235 1.00 0.00 H new ATOM 0 HG3 GLN A 831 3.217 3.390 -11.349 1.00 0.00 H new ATOM 0 HE21 GLN A 831 4.387 1.942 -12.447 1.00 0.00 H new ATOM 0 HE22 GLN A 831 3.738 0.535 -13.296 1.00 0.00 H new ATOM 1164 N ALA A 832 2.985 3.083 -7.736 1.00 0.00 N ATOM 1165 CA ALA A 832 4.093 3.671 -6.996 1.00 0.00 C ATOM 1166 C ALA A 832 4.868 2.612 -6.218 1.00 0.00 C ATOM 1167 O ALA A 832 6.097 2.564 -6.275 1.00 0.00 O ATOM 1168 CB ALA A 832 3.583 4.758 -6.060 1.00 0.00 C ATOM 0 H ALA A 832 2.062 3.394 -7.432 1.00 0.00 H new ATOM 0 HA ALA A 832 4.779 4.119 -7.715 1.00 0.00 H new ATOM 0 HB1 ALA A 832 4.421 5.190 -5.513 1.00 0.00 H new ATOM 0 HB2 ALA A 832 3.090 5.537 -6.641 1.00 0.00 H new ATOM 0 HB3 ALA A 832 2.873 4.327 -5.355 1.00 0.00 H new ATOM 1174 N THR A 833 4.147 1.752 -5.511 1.00 0.00 N ATOM 1175 CA THR A 833 4.775 0.718 -4.702 1.00 0.00 C ATOM 1176 C THR A 833 5.490 -0.323 -5.565 1.00 0.00 C ATOM 1177 O THR A 833 6.519 -0.868 -5.161 1.00 0.00 O ATOM 1178 CB THR A 833 3.747 0.027 -3.794 1.00 0.00 C ATOM 1179 OG1 THR A 833 2.848 1.006 -3.258 1.00 0.00 O ATOM 1180 CG2 THR A 833 4.440 -0.708 -2.659 1.00 0.00 C ATOM 0 H THR A 833 3.127 1.751 -5.482 1.00 0.00 H new ATOM 0 HA THR A 833 5.521 1.212 -4.079 1.00 0.00 H new ATOM 0 HB THR A 833 3.190 -0.699 -4.386 1.00 0.00 H new ATOM 0 HG1 THR A 833 2.100 1.137 -3.877 1.00 0.00 H new ATOM 0 HG21 THR A 833 3.693 -1.190 -2.028 1.00 0.00 H new ATOM 0 HG22 THR A 833 5.110 -1.463 -3.070 1.00 0.00 H new ATOM 0 HG23 THR A 833 5.015 0.001 -2.063 1.00 0.00 H new ATOM 1188 N SER A 834 4.956 -0.584 -6.759 1.00 0.00 N ATOM 1189 CA SER A 834 5.595 -1.507 -7.693 1.00 0.00 C ATOM 1190 C SER A 834 7.010 -1.035 -8.014 1.00 0.00 C ATOM 1191 O SER A 834 7.949 -1.832 -8.066 1.00 0.00 O ATOM 1192 CB SER A 834 4.779 -1.620 -8.983 1.00 0.00 C ATOM 1193 OG SER A 834 3.542 -2.276 -8.753 1.00 0.00 O ATOM 0 H SER A 834 4.088 -0.171 -7.099 1.00 0.00 H new ATOM 0 HA SER A 834 5.644 -2.490 -7.224 1.00 0.00 H new ATOM 0 HB2 SER A 834 4.596 -0.625 -9.389 1.00 0.00 H new ATOM 0 HB3 SER A 834 5.351 -2.169 -9.731 1.00 0.00 H new ATOM 0 HG SER A 834 3.010 -1.757 -8.114 1.00 0.00 H new ATOM 1199 N ASP A 835 7.154 0.270 -8.209 1.00 0.00 N ATOM 1200 CA ASP A 835 8.452 0.866 -8.496 1.00 0.00 C ATOM 1201 C ASP A 835 9.335 0.838 -7.255 1.00 0.00 C ATOM 1202 O ASP A 835 10.523 0.521 -7.327 1.00 0.00 O ATOM 1203 CB ASP A 835 8.278 2.310 -8.972 1.00 0.00 C ATOM 1204 CG ASP A 835 9.245 2.686 -10.076 1.00 0.00 C ATOM 1205 OD1 ASP A 835 10.460 2.804 -9.803 1.00 0.00 O ATOM 1206 OD2 ASP A 835 8.792 2.871 -11.227 1.00 0.00 O ATOM 0 H ASP A 835 6.384 0.938 -8.173 1.00 0.00 H new ATOM 0 HA ASP A 835 8.930 0.285 -9.285 1.00 0.00 H new ATOM 0 HB2 ASP A 835 7.257 2.450 -9.327 1.00 0.00 H new ATOM 0 HB3 ASP A 835 8.418 2.985 -8.128 1.00 0.00 H new ATOM 1211 N LEU A 836 8.735 1.165 -6.115 1.00 0.00 N ATOM 1212 CA LEU A 836 9.450 1.203 -4.844 1.00 0.00 C ATOM 1213 C LEU A 836 10.080 -0.152 -4.525 1.00 0.00 C ATOM 1214 O LEU A 836 11.283 -0.237 -4.274 1.00 0.00 O ATOM 1215 CB LEU A 836 8.488 1.616 -3.722 1.00 0.00 C ATOM 1216 CG LEU A 836 8.985 1.376 -2.294 1.00 0.00 C ATOM 1217 CD1 LEU A 836 10.038 2.408 -1.916 1.00 0.00 C ATOM 1218 CD2 LEU A 836 7.822 1.420 -1.320 1.00 0.00 C ATOM 0 H LEU A 836 7.747 1.409 -6.046 1.00 0.00 H new ATOM 0 HA LEU A 836 10.253 1.936 -4.922 1.00 0.00 H new ATOM 0 HB2 LEU A 836 8.263 2.677 -3.834 1.00 0.00 H new ATOM 0 HB3 LEU A 836 7.551 1.076 -3.856 1.00 0.00 H new ATOM 0 HG LEU A 836 9.442 0.388 -2.245 1.00 0.00 H new ATOM 0 HD11 LEU A 836 10.380 2.223 -0.898 1.00 0.00 H new ATOM 0 HD12 LEU A 836 10.882 2.334 -2.602 1.00 0.00 H new ATOM 0 HD13 LEU A 836 9.607 3.407 -1.977 1.00 0.00 H new ATOM 0 HD21 LEU A 836 8.188 1.248 -0.308 1.00 0.00 H new ATOM 0 HD22 LEU A 836 7.342 2.397 -1.371 1.00 0.00 H new ATOM 0 HD23 LEU A 836 7.100 0.647 -1.581 1.00 0.00 H new ATOM 1230 N VAL A 837 9.274 -1.205 -4.580 1.00 0.00 N ATOM 1231 CA VAL A 837 9.735 -2.549 -4.246 1.00 0.00 C ATOM 1232 C VAL A 837 10.839 -3.002 -5.199 1.00 0.00 C ATOM 1233 O VAL A 837 11.838 -3.589 -4.775 1.00 0.00 O ATOM 1234 CB VAL A 837 8.567 -3.563 -4.279 1.00 0.00 C ATOM 1235 CG1 VAL A 837 9.066 -4.989 -4.104 1.00 0.00 C ATOM 1236 CG2 VAL A 837 7.537 -3.224 -3.210 1.00 0.00 C ATOM 0 H VAL A 837 8.293 -1.155 -4.854 1.00 0.00 H new ATOM 0 HA VAL A 837 10.138 -2.513 -3.234 1.00 0.00 H new ATOM 0 HB VAL A 837 8.092 -3.493 -5.258 1.00 0.00 H new ATOM 0 HG11 VAL A 837 8.220 -5.676 -4.132 1.00 0.00 H new ATOM 0 HG12 VAL A 837 9.759 -5.233 -4.909 1.00 0.00 H new ATOM 0 HG13 VAL A 837 9.577 -5.081 -3.145 1.00 0.00 H new ATOM 0 HG21 VAL A 837 6.722 -3.947 -3.247 1.00 0.00 H new ATOM 0 HG22 VAL A 837 8.008 -3.258 -2.227 1.00 0.00 H new ATOM 0 HG23 VAL A 837 7.143 -2.224 -3.389 1.00 0.00 H new ATOM 1246 N ASN A 838 10.664 -2.701 -6.480 1.00 0.00 N ATOM 1247 CA ASN A 838 11.630 -3.089 -7.503 1.00 0.00 C ATOM 1248 C ASN A 838 12.988 -2.440 -7.248 1.00 0.00 C ATOM 1249 O ASN A 838 14.027 -3.099 -7.335 1.00 0.00 O ATOM 1250 CB ASN A 838 11.118 -2.695 -8.890 1.00 0.00 C ATOM 1251 CG ASN A 838 12.035 -3.158 -10.004 1.00 0.00 C ATOM 1252 OD1 ASN A 838 12.421 -4.326 -10.066 1.00 0.00 O ATOM 1253 ND2 ASN A 838 12.393 -2.245 -10.891 1.00 0.00 N ATOM 0 H ASN A 838 9.859 -2.187 -6.837 1.00 0.00 H new ATOM 0 HA ASN A 838 11.752 -4.171 -7.459 1.00 0.00 H new ATOM 0 HB2 ASN A 838 10.126 -3.120 -9.041 1.00 0.00 H new ATOM 0 HB3 ASN A 838 11.011 -1.611 -8.939 1.00 0.00 H new ATOM 0 HD21 ASN A 838 13.011 -2.498 -11.662 1.00 0.00 H new ATOM 0 HD22 ASN A 838 12.051 -1.288 -10.804 1.00 0.00 H new ATOM 1260 N ALA A 839 12.967 -1.155 -6.910 1.00 0.00 N ATOM 1261 CA ALA A 839 14.191 -0.401 -6.655 1.00 0.00 C ATOM 1262 C ALA A 839 14.976 -0.997 -5.494 1.00 0.00 C ATOM 1263 O ALA A 839 16.200 -1.127 -5.560 1.00 0.00 O ATOM 1264 CB ALA A 839 13.863 1.055 -6.373 1.00 0.00 C ATOM 0 H ALA A 839 12.111 -0.611 -6.806 1.00 0.00 H new ATOM 0 HA ALA A 839 14.813 -0.460 -7.548 1.00 0.00 H new ATOM 0 HB1 ALA A 839 14.785 1.606 -6.185 1.00 0.00 H new ATOM 0 HB2 ALA A 839 13.352 1.486 -7.234 1.00 0.00 H new ATOM 0 HB3 ALA A 839 13.216 1.119 -5.498 1.00 0.00 H new ATOM 1270 N ILE A 840 14.265 -1.356 -4.433 1.00 0.00 N ATOM 1271 CA ILE A 840 14.890 -1.964 -3.269 1.00 0.00 C ATOM 1272 C ILE A 840 15.439 -3.341 -3.618 1.00 0.00 C ATOM 1273 O ILE A 840 16.573 -3.667 -3.282 1.00 0.00 O ATOM 1274 CB ILE A 840 13.900 -2.094 -2.092 1.00 0.00 C ATOM 1275 CG1 ILE A 840 13.365 -0.720 -1.701 1.00 0.00 C ATOM 1276 CG2 ILE A 840 14.566 -2.764 -0.895 1.00 0.00 C ATOM 1277 CD1 ILE A 840 11.914 -0.733 -1.288 1.00 0.00 C ATOM 0 H ILE A 840 13.255 -1.236 -4.356 1.00 0.00 H new ATOM 0 HA ILE A 840 15.706 -1.309 -2.963 1.00 0.00 H new ATOM 0 HB ILE A 840 13.066 -2.719 -2.411 1.00 0.00 H new ATOM 0 HG12 ILE A 840 13.964 -0.326 -0.880 1.00 0.00 H new ATOM 0 HG13 ILE A 840 13.489 -0.038 -2.542 1.00 0.00 H new ATOM 0 HG21 ILE A 840 13.849 -2.845 -0.078 1.00 0.00 H new ATOM 0 HG22 ILE A 840 14.907 -3.760 -1.178 1.00 0.00 H new ATOM 0 HG23 ILE A 840 15.419 -2.167 -0.572 1.00 0.00 H new ATOM 0 HD11 ILE A 840 11.602 0.277 -1.024 1.00 0.00 H new ATOM 0 HD12 ILE A 840 11.304 -1.097 -2.115 1.00 0.00 H new ATOM 0 HD13 ILE A 840 11.787 -1.389 -0.427 1.00 0.00 H new ATOM 1289 N LYS A 841 14.630 -4.133 -4.314 1.00 0.00 N ATOM 1290 CA LYS A 841 15.009 -5.492 -4.685 1.00 0.00 C ATOM 1291 C LYS A 841 16.288 -5.506 -5.518 1.00 0.00 C ATOM 1292 O LYS A 841 17.195 -6.296 -5.260 1.00 0.00 O ATOM 1293 CB LYS A 841 13.874 -6.164 -5.460 1.00 0.00 C ATOM 1294 CG LYS A 841 13.548 -7.566 -4.970 1.00 0.00 C ATOM 1295 CD LYS A 841 14.403 -8.614 -5.667 1.00 0.00 C ATOM 1296 CE LYS A 841 13.875 -8.923 -7.056 1.00 0.00 C ATOM 1297 NZ LYS A 841 14.880 -9.631 -7.889 1.00 0.00 N ATOM 0 H LYS A 841 13.702 -3.855 -4.634 1.00 0.00 H new ATOM 0 HA LYS A 841 15.197 -6.048 -3.767 1.00 0.00 H new ATOM 0 HB2 LYS A 841 12.979 -5.546 -5.387 1.00 0.00 H new ATOM 0 HB3 LYS A 841 14.144 -6.211 -6.515 1.00 0.00 H new ATOM 0 HG2 LYS A 841 13.708 -7.622 -3.893 1.00 0.00 H new ATOM 0 HG3 LYS A 841 12.494 -7.778 -5.147 1.00 0.00 H new ATOM 0 HD2 LYS A 841 15.431 -8.259 -5.737 1.00 0.00 H new ATOM 0 HD3 LYS A 841 14.421 -9.527 -5.071 1.00 0.00 H new ATOM 0 HE2 LYS A 841 12.976 -9.534 -6.974 1.00 0.00 H new ATOM 0 HE3 LYS A 841 13.585 -7.995 -7.548 1.00 0.00 H new ATOM 0 HZ1 LYS A 841 14.479 -9.823 -8.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 841 15.728 -9.037 -7.989 1.00 0.00 H new ATOM 0 HZ3 LYS A 841 15.138 -10.529 -7.433 1.00 0.00 H new ATOM 1508 N LEU A 856 15.923 -6.537 3.654 1.00 0.00 N ATOM 1509 CA LEU A 856 15.423 -5.509 2.759 1.00 0.00 C ATOM 1510 C LEU A 856 14.396 -6.083 1.795 1.00 0.00 C ATOM 1511 O LEU A 856 13.405 -5.430 1.465 1.00 0.00 O ATOM 1512 CB LEU A 856 16.586 -4.881 2.000 1.00 0.00 C ATOM 1513 CG LEU A 856 17.287 -3.747 2.751 1.00 0.00 C ATOM 1514 CD1 LEU A 856 18.705 -3.548 2.234 1.00 0.00 C ATOM 1515 CD2 LEU A 856 16.490 -2.459 2.632 1.00 0.00 C ATOM 0 HA LEU A 856 14.928 -4.738 3.349 1.00 0.00 H new ATOM 0 HB2 LEU A 856 17.317 -5.657 1.772 1.00 0.00 H new ATOM 0 HB3 LEU A 856 16.219 -4.498 1.048 1.00 0.00 H new ATOM 0 HG LEU A 856 17.346 -4.022 3.804 1.00 0.00 H new ATOM 0 HD11 LEU A 856 19.182 -2.737 2.784 1.00 0.00 H new ATOM 0 HD12 LEU A 856 19.276 -4.466 2.374 1.00 0.00 H new ATOM 0 HD13 LEU A 856 18.674 -3.299 1.173 1.00 0.00 H new ATOM 0 HD21 LEU A 856 17.003 -1.663 3.172 1.00 0.00 H new ATOM 0 HD22 LEU A 856 16.398 -2.184 1.581 1.00 0.00 H new ATOM 0 HD23 LEU A 856 15.497 -2.605 3.057 1.00 0.00 H new ATOM 1527 N LEU A 857 14.629 -7.313 1.365 1.00 0.00 N ATOM 1528 CA LEU A 857 13.715 -7.988 0.462 1.00 0.00 C ATOM 1529 C LEU A 857 12.404 -8.312 1.168 1.00 0.00 C ATOM 1530 O LEU A 857 11.329 -8.159 0.588 1.00 0.00 O ATOM 1531 CB LEU A 857 14.353 -9.262 -0.088 1.00 0.00 C ATOM 1532 CG LEU A 857 15.750 -9.072 -0.676 1.00 0.00 C ATOM 1533 CD1 LEU A 857 16.620 -10.280 -0.375 1.00 0.00 C ATOM 1534 CD2 LEU A 857 15.671 -8.833 -2.175 1.00 0.00 C ATOM 0 H LEU A 857 15.446 -7.864 1.629 1.00 0.00 H new ATOM 0 HA LEU A 857 13.500 -7.319 -0.372 1.00 0.00 H new ATOM 0 HB2 LEU A 857 14.407 -10.000 0.712 1.00 0.00 H new ATOM 0 HB3 LEU A 857 13.702 -9.675 -0.859 1.00 0.00 H new ATOM 0 HG LEU A 857 16.203 -8.195 -0.213 1.00 0.00 H new ATOM 0 HD11 LEU A 857 17.612 -10.129 -0.801 1.00 0.00 H new ATOM 0 HD12 LEU A 857 16.704 -10.408 0.704 1.00 0.00 H new ATOM 0 HD13 LEU A 857 16.169 -11.171 -0.812 1.00 0.00 H new ATOM 0 HD21 LEU A 857 16.676 -8.700 -2.576 1.00 0.00 H new ATOM 0 HD22 LEU A 857 15.199 -9.690 -2.656 1.00 0.00 H new ATOM 0 HD23 LEU A 857 15.081 -7.937 -2.370 1.00 0.00 H new ATOM 1546 N SER A 858 12.498 -8.742 2.424 1.00 0.00 N ATOM 1547 CA SER A 858 11.315 -9.041 3.222 1.00 0.00 C ATOM 1548 C SER A 858 10.490 -7.778 3.451 1.00 0.00 C ATOM 1549 O SER A 858 9.267 -7.797 3.331 1.00 0.00 O ATOM 1550 CB SER A 858 11.722 -9.649 4.563 1.00 0.00 C ATOM 1551 OG SER A 858 13.062 -10.107 4.528 1.00 0.00 O ATOM 0 H SER A 858 13.382 -8.891 2.910 1.00 0.00 H new ATOM 0 HA SER A 858 10.705 -9.761 2.677 1.00 0.00 H new ATOM 0 HB2 SER A 858 11.609 -8.906 5.352 1.00 0.00 H new ATOM 0 HB3 SER A 858 11.057 -10.478 4.807 1.00 0.00 H new ATOM 0 HG SER A 858 13.300 -10.490 5.398 1.00 0.00 H new ATOM 1557 N ALA A 859 11.170 -6.681 3.766 1.00 0.00 N ATOM 1558 CA ALA A 859 10.507 -5.400 3.981 1.00 0.00 C ATOM 1559 C ALA A 859 9.738 -4.971 2.735 1.00 0.00 C ATOM 1560 O ALA A 859 8.584 -4.547 2.818 1.00 0.00 O ATOM 1561 CB ALA A 859 11.523 -4.338 4.370 1.00 0.00 C ATOM 0 H ALA A 859 12.183 -6.653 3.878 1.00 0.00 H new ATOM 0 HA ALA A 859 9.794 -5.517 4.797 1.00 0.00 H new ATOM 0 HB1 ALA A 859 11.014 -3.387 4.527 1.00 0.00 H new ATOM 0 HB2 ALA A 859 12.027 -4.636 5.289 1.00 0.00 H new ATOM 0 HB3 ALA A 859 12.258 -4.228 3.573 1.00 0.00 H new ATOM 1567 N ALA A 860 10.379 -5.103 1.581 1.00 0.00 N ATOM 1568 CA ALA A 860 9.748 -4.765 0.312 1.00 0.00 C ATOM 1569 C ALA A 860 8.616 -5.739 -0.008 1.00 0.00 C ATOM 1570 O ALA A 860 7.655 -5.389 -0.693 1.00 0.00 O ATOM 1571 CB ALA A 860 10.780 -4.755 -0.806 1.00 0.00 C ATOM 0 H ALA A 860 11.337 -5.442 1.498 1.00 0.00 H new ATOM 0 HA ALA A 860 9.320 -3.766 0.397 1.00 0.00 H new ATOM 0 HB1 ALA A 860 10.294 -4.501 -1.748 1.00 0.00 H new ATOM 0 HB2 ALA A 860 11.550 -4.016 -0.584 1.00 0.00 H new ATOM 0 HB3 ALA A 860 11.237 -5.741 -0.888 1.00 0.00 H new ATOM 1577 N LYS A 861 8.727 -6.959 0.509 1.00 0.00 N ATOM 1578 CA LYS A 861 7.700 -7.972 0.303 1.00 0.00 C ATOM 1579 C LYS A 861 6.413 -7.578 1.019 1.00 0.00 C ATOM 1580 O LYS A 861 5.315 -7.811 0.509 1.00 0.00 O ATOM 1581 CB LYS A 861 8.184 -9.339 0.794 1.00 0.00 C ATOM 1582 CG LYS A 861 8.322 -10.374 -0.312 1.00 0.00 C ATOM 1583 CD LYS A 861 9.779 -10.721 -0.572 1.00 0.00 C ATOM 1584 CE LYS A 861 9.922 -12.062 -1.271 1.00 0.00 C ATOM 1585 NZ LYS A 861 10.595 -13.066 -0.407 1.00 0.00 N ATOM 0 H LYS A 861 9.518 -7.269 1.073 1.00 0.00 H new ATOM 0 HA LYS A 861 7.497 -8.042 -0.766 1.00 0.00 H new ATOM 0 HB2 LYS A 861 9.148 -9.217 1.287 1.00 0.00 H new ATOM 0 HB3 LYS A 861 7.487 -9.713 1.544 1.00 0.00 H new ATOM 0 HG2 LYS A 861 7.775 -11.276 -0.038 1.00 0.00 H new ATOM 0 HG3 LYS A 861 7.869 -9.993 -1.227 1.00 0.00 H new ATOM 0 HD2 LYS A 861 10.235 -9.942 -1.183 1.00 0.00 H new ATOM 0 HD3 LYS A 861 10.322 -10.744 0.373 1.00 0.00 H new ATOM 0 HE2 LYS A 861 8.936 -12.430 -1.556 1.00 0.00 H new ATOM 0 HE3 LYS A 861 10.492 -11.933 -2.191 1.00 0.00 H new ATOM 0 HZ1 LYS A 861 10.674 -13.968 -0.919 1.00 0.00 H new ATOM 0 HZ2 LYS A 861 11.545 -12.726 -0.156 1.00 0.00 H new ATOM 0 HZ3 LYS A 861 10.038 -13.208 0.459 1.00 0.00 H new ATOM 1599 N ILE A 862 6.547 -6.977 2.200 1.00 0.00 N ATOM 1600 CA ILE A 862 5.387 -6.477 2.932 1.00 0.00 C ATOM 1601 C ILE A 862 4.752 -5.324 2.172 1.00 0.00 C ATOM 1602 O ILE A 862 3.532 -5.193 2.130 1.00 0.00 O ATOM 1603 CB ILE A 862 5.742 -5.988 4.353 1.00 0.00 C ATOM 1604 CG1 ILE A 862 6.807 -6.877 4.993 1.00 0.00 C ATOM 1605 CG2 ILE A 862 4.494 -5.950 5.224 1.00 0.00 C ATOM 1606 CD1 ILE A 862 7.557 -6.194 6.115 1.00 0.00 C ATOM 0 H ILE A 862 7.441 -6.826 2.667 1.00 0.00 H new ATOM 0 HA ILE A 862 4.694 -7.314 3.025 1.00 0.00 H new ATOM 0 HB ILE A 862 6.149 -4.980 4.271 1.00 0.00 H new ATOM 0 HG12 ILE A 862 6.334 -7.780 5.378 1.00 0.00 H new ATOM 0 HG13 ILE A 862 7.517 -7.191 4.228 1.00 0.00 H new ATOM 0 HG21 ILE A 862 4.758 -5.604 6.223 1.00 0.00 H new ATOM 0 HG22 ILE A 862 3.764 -5.269 4.785 1.00 0.00 H new ATOM 0 HG23 ILE A 862 4.065 -6.950 5.288 1.00 0.00 H new ATOM 0 HD11 ILE A 862 8.298 -6.879 6.527 1.00 0.00 H new ATOM 0 HD12 ILE A 862 8.058 -5.306 5.730 1.00 0.00 H new ATOM 0 HD13 ILE A 862 6.856 -5.905 6.898 1.00 0.00 H new ATOM 1618 N LEU A 863 5.597 -4.494 1.570 1.00 0.00 N ATOM 1619 CA LEU A 863 5.135 -3.364 0.774 1.00 0.00 C ATOM 1620 C LEU A 863 4.221 -3.841 -0.352 1.00 0.00 C ATOM 1621 O LEU A 863 3.092 -3.369 -0.493 1.00 0.00 O ATOM 1622 CB LEU A 863 6.329 -2.604 0.183 1.00 0.00 C ATOM 1623 CG LEU A 863 6.674 -1.273 0.861 1.00 0.00 C ATOM 1624 CD1 LEU A 863 5.420 -0.439 1.086 1.00 0.00 C ATOM 1625 CD2 LEU A 863 7.400 -1.517 2.177 1.00 0.00 C ATOM 0 H LEU A 863 6.612 -4.584 1.619 1.00 0.00 H new ATOM 0 HA LEU A 863 4.574 -2.695 1.426 1.00 0.00 H new ATOM 0 HB2 LEU A 863 7.205 -3.251 0.227 1.00 0.00 H new ATOM 0 HB3 LEU A 863 6.128 -2.412 -0.871 1.00 0.00 H new ATOM 0 HG LEU A 863 7.337 -0.715 0.200 1.00 0.00 H new ATOM 0 HD11 LEU A 863 5.690 0.501 1.568 1.00 0.00 H new ATOM 0 HD12 LEU A 863 4.944 -0.232 0.128 1.00 0.00 H new ATOM 0 HD13 LEU A 863 4.727 -0.988 1.724 1.00 0.00 H new ATOM 0 HD21 LEU A 863 7.637 -0.561 2.644 1.00 0.00 H new ATOM 0 HD22 LEU A 863 6.761 -2.098 2.843 1.00 0.00 H new ATOM 0 HD23 LEU A 863 8.322 -2.067 1.987 1.00 0.00 H new ATOM 1637 N ALA A 864 4.707 -4.798 -1.135 1.00 0.00 N ATOM 1638 CA ALA A 864 3.950 -5.327 -2.265 1.00 0.00 C ATOM 1639 C ALA A 864 2.682 -6.038 -1.797 1.00 0.00 C ATOM 1640 O ALA A 864 1.643 -5.980 -2.458 1.00 0.00 O ATOM 1641 CB ALA A 864 4.817 -6.273 -3.081 1.00 0.00 C ATOM 0 H ALA A 864 5.625 -5.225 -1.008 1.00 0.00 H new ATOM 0 HA ALA A 864 3.651 -4.489 -2.894 1.00 0.00 H new ATOM 0 HB1 ALA A 864 4.241 -6.661 -3.921 1.00 0.00 H new ATOM 0 HB2 ALA A 864 5.688 -5.736 -3.456 1.00 0.00 H new ATOM 0 HB3 ALA A 864 5.144 -7.101 -2.452 1.00 0.00 H new ATOM 1647 N ASP A 865 2.773 -6.704 -0.654 1.00 0.00 N ATOM 1648 CA ASP A 865 1.640 -7.432 -0.094 1.00 0.00 C ATOM 1649 C ASP A 865 0.559 -6.473 0.398 1.00 0.00 C ATOM 1650 O ASP A 865 -0.610 -6.595 0.028 1.00 0.00 O ATOM 1651 CB ASP A 865 2.106 -8.333 1.055 1.00 0.00 C ATOM 1652 CG ASP A 865 0.995 -8.669 2.030 1.00 0.00 C ATOM 1653 OD1 ASP A 865 0.119 -9.488 1.685 1.00 0.00 O ATOM 1654 OD2 ASP A 865 0.995 -8.123 3.153 1.00 0.00 O ATOM 0 H ASP A 865 3.624 -6.756 -0.093 1.00 0.00 H new ATOM 0 HA ASP A 865 1.213 -8.051 -0.883 1.00 0.00 H new ATOM 0 HB2 ASP A 865 2.513 -9.257 0.643 1.00 0.00 H new ATOM 0 HB3 ASP A 865 2.916 -7.839 1.592 1.00 0.00 H new ATOM 1659 N ALA A 866 0.965 -5.505 1.213 1.00 0.00 N ATOM 1660 CA ALA A 866 0.035 -4.557 1.815 1.00 0.00 C ATOM 1661 C ALA A 866 -0.710 -3.762 0.752 1.00 0.00 C ATOM 1662 O ALA A 866 -1.913 -3.540 0.864 1.00 0.00 O ATOM 1663 CB ALA A 866 0.773 -3.620 2.757 1.00 0.00 C ATOM 0 H ALA A 866 1.940 -5.356 1.473 1.00 0.00 H new ATOM 0 HA ALA A 866 -0.701 -5.124 2.385 1.00 0.00 H new ATOM 0 HB1 ALA A 866 0.066 -2.918 3.199 1.00 0.00 H new ATOM 0 HB2 ALA A 866 1.251 -4.200 3.547 1.00 0.00 H new ATOM 0 HB3 ALA A 866 1.532 -3.069 2.202 1.00 0.00 H new ATOM 1669 N THR A 867 0.005 -3.349 -0.284 1.00 0.00 N ATOM 1670 CA THR A 867 -0.594 -2.570 -1.357 1.00 0.00 C ATOM 1671 C THR A 867 -1.651 -3.376 -2.110 1.00 0.00 C ATOM 1672 O THR A 867 -2.664 -2.828 -2.544 1.00 0.00 O ATOM 1673 CB THR A 867 0.473 -2.065 -2.341 1.00 0.00 C ATOM 1674 OG1 THR A 867 1.576 -1.524 -1.610 1.00 0.00 O ATOM 1675 CG2 THR A 867 -0.096 -0.998 -3.264 1.00 0.00 C ATOM 0 H THR A 867 1.000 -3.540 -0.404 1.00 0.00 H new ATOM 0 HA THR A 867 -1.079 -1.711 -0.894 1.00 0.00 H new ATOM 0 HB THR A 867 0.805 -2.905 -2.951 1.00 0.00 H new ATOM 0 HG1 THR A 867 2.117 -2.255 -1.245 1.00 0.00 H new ATOM 0 HG21 THR A 867 0.680 -0.658 -3.950 1.00 0.00 H new ATOM 0 HG22 THR A 867 -0.926 -1.415 -3.834 1.00 0.00 H new ATOM 0 HG23 THR A 867 -0.450 -0.155 -2.671 1.00 0.00 H new ATOM 1683 N ALA A 868 -1.429 -4.678 -2.251 1.00 0.00 N ATOM 1684 CA ALA A 868 -2.412 -5.537 -2.896 1.00 0.00 C ATOM 1685 C ALA A 868 -3.652 -5.660 -2.029 1.00 0.00 C ATOM 1686 O ALA A 868 -4.773 -5.609 -2.527 1.00 0.00 O ATOM 1687 CB ALA A 868 -1.841 -6.911 -3.179 1.00 0.00 C ATOM 0 H ALA A 868 -0.587 -5.157 -1.931 1.00 0.00 H new ATOM 0 HA ALA A 868 -2.683 -5.079 -3.847 1.00 0.00 H new ATOM 0 HB1 ALA A 868 -2.600 -7.528 -3.661 1.00 0.00 H new ATOM 0 HB2 ALA A 868 -0.977 -6.818 -3.838 1.00 0.00 H new ATOM 0 HB3 ALA A 868 -1.535 -7.378 -2.243 1.00 0.00 H new ATOM 1693 N LYS A 869 -3.439 -5.823 -0.727 1.00 0.00 N ATOM 1694 CA LYS A 869 -4.537 -5.861 0.229 1.00 0.00 C ATOM 1695 C LYS A 869 -5.309 -4.551 0.176 1.00 0.00 C ATOM 1696 O LYS A 869 -6.538 -4.535 0.244 1.00 0.00 O ATOM 1697 CB LYS A 869 -4.010 -6.094 1.648 1.00 0.00 C ATOM 1698 CG LYS A 869 -3.258 -7.403 1.817 1.00 0.00 C ATOM 1699 CD LYS A 869 -2.474 -7.430 3.117 1.00 0.00 C ATOM 1700 CE LYS A 869 -2.601 -8.775 3.814 1.00 0.00 C ATOM 1701 NZ LYS A 869 -1.278 -9.394 4.079 1.00 0.00 N ATOM 0 H LYS A 869 -2.514 -5.931 -0.311 1.00 0.00 H new ATOM 0 HA LYS A 869 -5.199 -6.685 -0.035 1.00 0.00 H new ATOM 0 HB2 LYS A 869 -3.351 -5.270 1.920 1.00 0.00 H new ATOM 0 HB3 LYS A 869 -4.848 -6.075 2.344 1.00 0.00 H new ATOM 0 HG2 LYS A 869 -3.963 -8.234 1.799 1.00 0.00 H new ATOM 0 HG3 LYS A 869 -2.577 -7.544 0.977 1.00 0.00 H new ATOM 0 HD2 LYS A 869 -1.424 -7.221 2.914 1.00 0.00 H new ATOM 0 HD3 LYS A 869 -2.834 -6.641 3.777 1.00 0.00 H new ATOM 0 HE2 LYS A 869 -3.135 -8.646 4.755 1.00 0.00 H new ATOM 0 HE3 LYS A 869 -3.198 -9.447 3.198 1.00 0.00 H new ATOM 0 HZ1 LYS A 869 -1.363 -10.073 4.863 1.00 0.00 H new ATOM 0 HZ2 LYS A 869 -0.949 -9.890 3.226 1.00 0.00 H new ATOM 0 HZ3 LYS A 869 -0.593 -8.654 4.335 1.00 0.00 H new ATOM 1715 N MET A 870 -4.568 -3.458 0.039 1.00 0.00 N ATOM 1716 CA MET A 870 -5.147 -2.125 -0.050 1.00 0.00 C ATOM 1717 C MET A 870 -5.978 -1.977 -1.322 1.00 0.00 C ATOM 1718 O MET A 870 -7.145 -1.588 -1.265 1.00 0.00 O ATOM 1719 CB MET A 870 -4.039 -1.068 -0.019 1.00 0.00 C ATOM 1720 CG MET A 870 -4.533 0.330 0.309 1.00 0.00 C ATOM 1721 SD MET A 870 -5.149 1.205 -1.140 1.00 0.00 S ATOM 1722 CE MET A 870 -6.587 2.001 -0.444 1.00 0.00 C ATOM 0 H MET A 870 -3.549 -3.472 -0.013 1.00 0.00 H new ATOM 0 HA MET A 870 -5.804 -1.979 0.807 1.00 0.00 H new ATOM 0 HB2 MET A 870 -3.291 -1.361 0.718 1.00 0.00 H new ATOM 0 HB3 MET A 870 -3.541 -1.049 -0.988 1.00 0.00 H new ATOM 0 HG2 MET A 870 -5.326 0.266 1.054 1.00 0.00 H new ATOM 0 HG3 MET A 870 -3.721 0.903 0.757 1.00 0.00 H new ATOM 0 HE1 MET A 870 -7.107 2.559 -1.223 1.00 0.00 H new ATOM 0 HE2 MET A 870 -7.256 1.247 -0.030 1.00 0.00 H new ATOM 0 HE3 MET A 870 -6.278 2.685 0.346 1.00 0.00 H new ATOM 1732 N VAL A 871 -5.377 -2.307 -2.462 1.00 0.00 N ATOM 1733 CA VAL A 871 -6.052 -2.181 -3.749 1.00 0.00 C ATOM 1734 C VAL A 871 -7.269 -3.102 -3.814 1.00 0.00 C ATOM 1735 O VAL A 871 -8.313 -2.733 -4.352 1.00 0.00 O ATOM 1736 CB VAL A 871 -5.074 -2.458 -4.929 1.00 0.00 C ATOM 1737 CG1 VAL A 871 -5.256 -3.848 -5.528 1.00 0.00 C ATOM 1738 CG2 VAL A 871 -5.233 -1.397 -6.006 1.00 0.00 C ATOM 0 H VAL A 871 -4.423 -2.664 -2.520 1.00 0.00 H new ATOM 0 HA VAL A 871 -6.401 -1.153 -3.846 1.00 0.00 H new ATOM 0 HB VAL A 871 -4.064 -2.415 -4.521 1.00 0.00 H new ATOM 0 HG11 VAL A 871 -4.549 -3.987 -6.346 1.00 0.00 H new ATOM 0 HG12 VAL A 871 -5.076 -4.601 -4.761 1.00 0.00 H new ATOM 0 HG13 VAL A 871 -6.273 -3.951 -5.906 1.00 0.00 H new ATOM 0 HG21 VAL A 871 -4.543 -1.603 -6.825 1.00 0.00 H new ATOM 0 HG22 VAL A 871 -6.256 -1.410 -6.382 1.00 0.00 H new ATOM 0 HG23 VAL A 871 -5.014 -0.416 -5.585 1.00 0.00 H new ATOM 1748 N GLU A 872 -7.139 -4.287 -3.227 1.00 0.00 N ATOM 1749 CA GLU A 872 -8.218 -5.256 -3.215 1.00 0.00 C ATOM 1750 C GLU A 872 -9.356 -4.776 -2.318 1.00 0.00 C ATOM 1751 O GLU A 872 -10.532 -4.967 -2.630 1.00 0.00 O ATOM 1752 CB GLU A 872 -7.695 -6.618 -2.748 1.00 0.00 C ATOM 1753 CG GLU A 872 -7.903 -7.728 -3.766 1.00 0.00 C ATOM 1754 CD GLU A 872 -9.291 -8.329 -3.701 1.00 0.00 C ATOM 1755 OE1 GLU A 872 -9.742 -8.677 -2.589 1.00 0.00 O ATOM 1756 OE2 GLU A 872 -9.940 -8.457 -4.760 1.00 0.00 O ATOM 0 H GLU A 872 -6.291 -4.596 -2.752 1.00 0.00 H new ATOM 0 HA GLU A 872 -8.607 -5.363 -4.228 1.00 0.00 H new ATOM 0 HB2 GLU A 872 -6.631 -6.533 -2.526 1.00 0.00 H new ATOM 0 HB3 GLU A 872 -8.194 -6.891 -1.818 1.00 0.00 H new ATOM 0 HG2 GLU A 872 -7.729 -7.334 -4.767 1.00 0.00 H new ATOM 0 HG3 GLU A 872 -7.164 -8.512 -3.599 1.00 0.00 H new ATOM 1763 N ALA A 873 -9.001 -4.139 -1.209 1.00 0.00 N ATOM 1764 CA ALA A 873 -9.992 -3.619 -0.277 1.00 0.00 C ATOM 1765 C ALA A 873 -10.714 -2.412 -0.861 1.00 0.00 C ATOM 1766 O ALA A 873 -11.937 -2.310 -0.772 1.00 0.00 O ATOM 1767 CB ALA A 873 -9.335 -3.247 1.042 1.00 0.00 C ATOM 0 H ALA A 873 -8.033 -3.970 -0.934 1.00 0.00 H new ATOM 0 HA ALA A 873 -10.728 -4.403 -0.098 1.00 0.00 H new ATOM 0 HB1 ALA A 873 -10.089 -2.860 1.728 1.00 0.00 H new ATOM 0 HB2 ALA A 873 -8.868 -4.130 1.477 1.00 0.00 H new ATOM 0 HB3 ALA A 873 -8.577 -2.484 0.868 1.00 0.00 H new ATOM 1773 N ALA A 874 -9.952 -1.508 -1.467 1.00 0.00 N ATOM 1774 CA ALA A 874 -10.512 -0.289 -2.041 1.00 0.00 C ATOM 1775 C ALA A 874 -11.497 -0.604 -3.160 1.00 0.00 C ATOM 1776 O ALA A 874 -12.573 -0.011 -3.236 1.00 0.00 O ATOM 1777 CB ALA A 874 -9.400 0.613 -2.554 1.00 0.00 C ATOM 0 H ALA A 874 -8.941 -1.597 -1.574 1.00 0.00 H new ATOM 0 HA ALA A 874 -11.056 0.232 -1.253 1.00 0.00 H new ATOM 0 HB1 ALA A 874 -9.833 1.518 -2.979 1.00 0.00 H new ATOM 0 HB2 ALA A 874 -8.738 0.880 -1.730 1.00 0.00 H new ATOM 0 HB3 ALA A 874 -8.831 0.088 -3.321 1.00 0.00 H new ATOM 1783 N LYS A 875 -11.127 -1.542 -4.023 1.00 0.00 N ATOM 1784 CA LYS A 875 -11.983 -1.938 -5.134 1.00 0.00 C ATOM 1785 C LYS A 875 -13.164 -2.768 -4.639 1.00 0.00 C ATOM 1786 O LYS A 875 -14.282 -2.633 -5.137 1.00 0.00 O ATOM 1787 CB LYS A 875 -11.182 -2.733 -6.166 1.00 0.00 C ATOM 1788 CG LYS A 875 -10.519 -1.864 -7.223 1.00 0.00 C ATOM 1789 CD LYS A 875 -9.053 -2.226 -7.403 1.00 0.00 C ATOM 1790 CE LYS A 875 -8.754 -2.653 -8.829 1.00 0.00 C ATOM 1791 NZ LYS A 875 -8.586 -4.126 -8.947 1.00 0.00 N ATOM 0 H LYS A 875 -10.240 -2.043 -3.975 1.00 0.00 H new ATOM 0 HA LYS A 875 -12.368 -1.033 -5.604 1.00 0.00 H new ATOM 0 HB2 LYS A 875 -10.416 -3.312 -5.651 1.00 0.00 H new ATOM 0 HB3 LYS A 875 -11.844 -3.446 -6.657 1.00 0.00 H new ATOM 0 HG2 LYS A 875 -11.043 -1.980 -8.172 1.00 0.00 H new ATOM 0 HG3 LYS A 875 -10.604 -0.815 -6.939 1.00 0.00 H new ATOM 0 HD2 LYS A 875 -8.431 -1.370 -7.141 1.00 0.00 H new ATOM 0 HD3 LYS A 875 -8.790 -3.032 -6.718 1.00 0.00 H new ATOM 0 HE2 LYS A 875 -9.564 -2.327 -9.482 1.00 0.00 H new ATOM 0 HE3 LYS A 875 -7.847 -2.156 -9.173 1.00 0.00 H new ATOM 0 HZ1 LYS A 875 -8.383 -4.374 -9.936 1.00 0.00 H new ATOM 0 HZ2 LYS A 875 -7.797 -4.435 -8.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 875 -9.460 -4.601 -8.643 1.00 0.00 H new ATOM 1805 N GLY A 876 -12.910 -3.619 -3.652 1.00 0.00 N ATOM 1806 CA GLY A 876 -13.950 -4.479 -3.121 1.00 0.00 C ATOM 1807 C GLY A 876 -15.026 -3.712 -2.376 1.00 0.00 C ATOM 1808 O GLY A 876 -16.218 -3.994 -2.527 1.00 0.00 O ATOM 0 H GLY A 876 -11.998 -3.729 -3.208 1.00 0.00 H new ATOM 0 HA2 GLY A 876 -14.408 -5.035 -3.939 1.00 0.00 H new ATOM 0 HA3 GLY A 876 -13.502 -5.211 -2.449 1.00 0.00 H new