USER MOD reduce.3.24.130724 H: found=0, std=0, add=563, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 565 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 768 TYR OH : rot 180:sc= 0 USER MOD Single : A 769 HIS : no HD1:sc= -0.0254 X(o=-0.025,f=-0.11) USER MOD Single : A 779 THR OG1 : rot 180:sc= 0 USER MOD Single : A 801 GLN : amide:sc= -0.706 K(o=-0.71,f=-2.5!) USER MOD Single : A 802 TYR OH : rot 180:sc= 0 USER MOD Single : A 804 SER OG : rot 180:sc= 0 USER MOD Single : A 805 GLN : amide:sc= -0.618 K(o=-0.62,f=-2.2) USER MOD Single : A 808 LYS NZ :NH3+ 153:sc= -0.158 (180deg=-0.792) USER MOD Single : A 809 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 810 SER OG : rot 180:sc= 0 USER MOD Single : A 813 ASN : amide:sc= 0 K(o=0,f=-0.51) USER MOD Single : A 816 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 818 THR OG1 : rot 61:sc= -0.107 USER MOD Single : A 826 THR OG1 : rot 23:sc= 0.546 USER MOD Single : A 834 GLN : amide:sc= -4.55! C(o=-4.6!,f=-7.7!) USER MOD Single : A 837 TYR OH : rot 180:sc= 0 USER MOD Single : A 842 HIS : no HD1:sc= -2.75 K(o=-2.8,f=-2) USER MOD Single : A 849 GLN : amide:sc= -0.0201 K(o=-0.02,f=-1.6!) USER MOD ----------------------------------------------------------------- ATOM 261 N TYR A 768 3.750 17.558 -14.282 1.00 25.13 N ATOM 262 CA TYR A 768 4.545 18.678 -14.770 1.00 42.34 C ATOM 263 C TYR A 768 3.698 19.614 -15.628 1.00 3.14 C ATOM 264 O TYR A 768 3.617 20.814 -15.363 1.00 13.10 O ATOM 265 CB TYR A 768 5.740 18.169 -15.579 1.00 13.20 C ATOM 266 CG TYR A 768 6.500 19.265 -16.292 1.00 32.14 C ATOM 267 CD1 TYR A 768 6.864 19.130 -17.626 1.00 22.13 C ATOM 268 CD2 TYR A 768 6.854 20.435 -15.631 1.00 24.40 C ATOM 269 CE1 TYR A 768 7.559 20.128 -18.281 1.00 23.01 C ATOM 270 CE2 TYR A 768 7.548 21.438 -16.278 1.00 41.45 C ATOM 271 CZ TYR A 768 7.898 21.280 -17.603 1.00 45.42 C ATOM 272 OH TYR A 768 8.591 22.277 -18.251 1.00 52.53 O ATOM 0 HA TYR A 768 4.910 19.235 -13.907 1.00 42.34 H new ATOM 0 HB2 TYR A 768 6.421 17.641 -14.912 1.00 13.20 H new ATOM 0 HB3 TYR A 768 5.388 17.445 -16.314 1.00 13.20 H new ATOM 0 HD1 TYR A 768 6.599 18.229 -18.160 1.00 22.13 H new ATOM 0 HD2 TYR A 768 6.582 20.562 -14.594 1.00 24.40 H new ATOM 0 HE1 TYR A 768 7.835 20.007 -19.318 1.00 23.01 H new ATOM 0 HE2 TYR A 768 7.815 22.341 -15.750 1.00 41.45 H new ATOM 0 HH TYR A 768 8.750 23.020 -17.632 1.00 52.53 H new ATOM 282 N HIS A 769 3.068 19.056 -16.656 1.00 64.24 N ATOM 283 CA HIS A 769 2.226 19.839 -17.553 1.00 72.12 C ATOM 284 C HIS A 769 1.178 20.623 -16.768 1.00 62.52 C ATOM 285 O HIS A 769 0.892 21.779 -17.080 1.00 31.35 O ATOM 286 CB HIS A 769 1.540 18.926 -18.570 1.00 63.22 C ATOM 287 CG HIS A 769 2.491 18.278 -19.530 1.00 14.13 C ATOM 288 ND1 HIS A 769 3.634 18.897 -19.990 1.00 33.11 N ATOM 289 CD2 HIS A 769 2.463 17.058 -20.115 1.00 24.11 C ATOM 290 CE1 HIS A 769 4.268 18.086 -20.818 1.00 74.01 C ATOM 291 NE2 HIS A 769 3.578 16.963 -20.911 1.00 4.02 N ATOM 0 H HIS A 769 3.124 18.065 -16.889 1.00 64.24 H new ATOM 0 HA HIS A 769 2.863 20.547 -18.083 1.00 72.12 H new ATOM 0 HB2 HIS A 769 0.990 18.151 -18.037 1.00 63.22 H new ATOM 0 HB3 HIS A 769 0.808 19.507 -19.132 1.00 63.22 H new ATOM 0 HD2 HIS A 769 1.705 16.300 -19.981 1.00 24.11 H new ATOM 0 HE1 HIS A 769 5.193 18.304 -21.331 1.00 74.01 H new ATOM 0 HE2 HIS A 769 3.832 16.157 -21.481 1.00 4.02 H new ATOM 299 N ARG A 770 0.610 19.985 -15.750 1.00 55.10 N ATOM 300 CA ARG A 770 -0.408 20.622 -14.922 1.00 64.01 C ATOM 301 C ARG A 770 0.163 21.840 -14.201 1.00 54.13 C ATOM 302 O ARG A 770 -0.335 22.956 -14.356 1.00 75.01 O ATOM 303 CB ARG A 770 -0.962 19.626 -13.902 1.00 75.02 C ATOM 304 CG ARG A 770 -1.521 20.283 -12.651 1.00 4.25 C ATOM 305 CD ARG A 770 -2.096 19.254 -11.690 1.00 41.02 C ATOM 306 NE ARG A 770 -3.093 19.837 -10.796 1.00 72.45 N ATOM 307 CZ ARG A 770 -3.926 19.115 -10.055 1.00 11.23 C ATOM 308 NH1 ARG A 770 -3.881 17.791 -10.099 1.00 73.23 N ATOM 309 NH2 ARG A 770 -4.806 19.718 -9.266 1.00 11.43 N ATOM 0 H ARG A 770 0.837 19.028 -15.479 1.00 55.10 H new ATOM 0 HA ARG A 770 -1.217 20.952 -15.574 1.00 64.01 H new ATOM 0 HB2 ARG A 770 -1.747 19.035 -14.373 1.00 75.02 H new ATOM 0 HB3 ARG A 770 -0.170 18.934 -13.616 1.00 75.02 H new ATOM 0 HG2 ARG A 770 -0.733 20.848 -12.152 1.00 4.25 H new ATOM 0 HG3 ARG A 770 -2.297 20.996 -12.929 1.00 4.25 H new ATOM 0 HD2 ARG A 770 -2.549 18.441 -12.258 1.00 41.02 H new ATOM 0 HD3 ARG A 770 -1.290 18.819 -11.099 1.00 41.02 H new ATOM 0 HE ARG A 770 -3.153 20.854 -10.738 1.00 72.45 H new ATOM 0 HH11 ARG A 770 -3.205 17.323 -10.703 1.00 73.23 H new ATOM 0 HH12 ARG A 770 -4.522 17.240 -9.529 1.00 73.23 H new ATOM 0 HH21 ARG A 770 -4.843 20.737 -9.228 1.00 11.43 H new ATOM 0 HH22 ARG A 770 -5.445 19.163 -8.697 1.00 11.43 H new ATOM 323 N LEU A 771 1.209 21.618 -13.413 1.00 53.52 N ATOM 324 CA LEU A 771 1.847 22.698 -12.667 1.00 60.34 C ATOM 325 C LEU A 771 2.154 23.882 -13.579 1.00 33.15 C ATOM 326 O LEU A 771 1.814 25.023 -13.265 1.00 41.02 O ATOM 327 CB LEU A 771 3.135 22.198 -12.011 1.00 30.14 C ATOM 328 CG LEU A 771 2.959 21.307 -10.780 1.00 41.51 C ATOM 329 CD1 LEU A 771 4.305 20.786 -10.302 1.00 22.21 C ATOM 330 CD2 LEU A 771 2.254 22.069 -9.667 1.00 62.00 C ATOM 0 H LEU A 771 1.633 20.701 -13.274 1.00 53.52 H new ATOM 0 HA LEU A 771 1.156 23.030 -11.892 1.00 60.34 H new ATOM 0 HB2 LEU A 771 3.708 21.645 -12.756 1.00 30.14 H new ATOM 0 HB3 LEU A 771 3.734 23.063 -11.726 1.00 30.14 H new ATOM 0 HG LEU A 771 2.340 20.454 -11.058 1.00 41.51 H new ATOM 0 HD11 LEU A 771 4.160 20.154 -9.426 1.00 22.21 H new ATOM 0 HD12 LEU A 771 4.773 20.204 -11.096 1.00 22.21 H new ATOM 0 HD13 LEU A 771 4.949 21.626 -10.041 1.00 22.21 H new ATOM 0 HD21 LEU A 771 2.137 21.420 -8.799 1.00 62.00 H new ATOM 0 HD22 LEU A 771 2.847 22.941 -9.391 1.00 62.00 H new ATOM 0 HD23 LEU A 771 1.272 22.393 -10.013 1.00 62.00 H new ATOM 342 N ARG A 772 2.796 23.602 -14.708 1.00 52.20 N ATOM 343 CA ARG A 772 3.147 24.644 -15.665 1.00 41.23 C ATOM 344 C ARG A 772 1.894 25.295 -16.245 1.00 25.21 C ATOM 345 O ARG A 772 1.891 26.484 -16.562 1.00 50.35 O ATOM 346 CB ARG A 772 4.001 24.063 -16.793 1.00 64.04 C ATOM 347 CG ARG A 772 4.923 25.081 -17.446 1.00 33.31 C ATOM 348 CD ARG A 772 6.051 24.403 -18.208 1.00 74.12 C ATOM 349 NE ARG A 772 7.216 25.272 -18.349 1.00 31.14 N ATOM 350 CZ ARG A 772 7.249 26.334 -19.146 1.00 12.14 C ATOM 351 NH1 ARG A 772 6.186 26.657 -19.869 1.00 51.14 N ATOM 352 NH2 ARG A 772 8.346 27.076 -19.219 1.00 44.12 N ATOM 0 H ARG A 772 3.084 22.663 -14.982 1.00 52.20 H new ATOM 0 HA ARG A 772 3.721 25.407 -15.139 1.00 41.23 H new ATOM 0 HB2 ARG A 772 4.601 23.243 -16.398 1.00 64.04 H new ATOM 0 HB3 ARG A 772 3.344 23.640 -17.553 1.00 64.04 H new ATOM 0 HG2 ARG A 772 4.349 25.709 -18.127 1.00 33.31 H new ATOM 0 HG3 ARG A 772 5.341 25.737 -16.683 1.00 33.31 H new ATOM 0 HD2 ARG A 772 6.341 23.489 -17.689 1.00 74.12 H new ATOM 0 HD3 ARG A 772 5.696 24.110 -19.196 1.00 74.12 H new ATOM 0 HE ARG A 772 8.050 25.051 -17.805 1.00 31.14 H new ATOM 0 HH11 ARG A 772 5.340 26.090 -19.814 1.00 51.14 H new ATOM 0 HH12 ARG A 772 6.214 27.473 -20.480 1.00 51.14 H new ATOM 0 HH21 ARG A 772 9.165 26.831 -18.663 1.00 44.12 H new ATOM 0 HH22 ARG A 772 8.370 27.891 -19.831 1.00 44.12 H new ATOM 366 N ASP A 773 0.834 24.507 -16.380 1.00 74.21 N ATOM 367 CA ASP A 773 -0.425 25.006 -16.921 1.00 35.21 C ATOM 368 C ASP A 773 -1.011 26.091 -16.022 1.00 60.42 C ATOM 369 O ASP A 773 -1.267 27.210 -16.468 1.00 71.12 O ATOM 370 CB ASP A 773 -1.427 23.861 -17.078 1.00 31.31 C ATOM 371 CG ASP A 773 -2.665 24.276 -17.848 1.00 70.15 C ATOM 372 OD1 ASP A 773 -3.740 23.687 -17.607 1.00 1.42 O ATOM 373 OD2 ASP A 773 -2.559 25.190 -18.692 1.00 71.15 O ATOM 0 H ASP A 773 0.821 23.520 -16.122 1.00 74.21 H new ATOM 0 HA ASP A 773 -0.224 25.440 -17.901 1.00 35.21 H new ATOM 0 HB2 ASP A 773 -0.946 23.029 -17.591 1.00 31.31 H new ATOM 0 HB3 ASP A 773 -1.720 23.501 -16.092 1.00 31.31 H new ATOM 378 N LEU A 774 -1.222 25.752 -14.755 1.00 65.11 N ATOM 379 CA LEU A 774 -1.778 26.697 -13.793 1.00 32.30 C ATOM 380 C LEU A 774 -0.875 27.917 -13.643 1.00 72.21 C ATOM 381 O LEU A 774 -1.337 29.057 -13.711 1.00 73.44 O ATOM 382 CB LEU A 774 -1.969 26.019 -12.435 1.00 3.12 C ATOM 383 CG LEU A 774 -3.060 26.607 -11.539 1.00 24.52 C ATOM 384 CD1 LEU A 774 -4.428 26.426 -12.176 1.00 55.55 C ATOM 385 CD2 LEU A 774 -3.022 25.962 -10.161 1.00 13.12 C ATOM 0 H LEU A 774 -1.017 24.830 -14.370 1.00 65.11 H new ATOM 0 HA LEU A 774 -2.747 27.030 -14.166 1.00 32.30 H new ATOM 0 HB2 LEU A 774 -2.195 24.966 -12.605 1.00 3.12 H new ATOM 0 HB3 LEU A 774 -1.023 26.059 -11.895 1.00 3.12 H new ATOM 0 HG LEU A 774 -2.874 27.675 -11.424 1.00 24.52 H new ATOM 0 HD11 LEU A 774 -5.192 26.850 -11.524 1.00 55.55 H new ATOM 0 HD12 LEU A 774 -4.450 26.934 -13.140 1.00 55.55 H new ATOM 0 HD13 LEU A 774 -4.624 25.364 -12.321 1.00 55.55 H new ATOM 0 HD21 LEU A 774 -3.805 26.392 -9.536 1.00 13.12 H new ATOM 0 HD22 LEU A 774 -3.183 24.888 -10.257 1.00 13.12 H new ATOM 0 HD23 LEU A 774 -2.050 26.143 -9.701 1.00 13.12 H new ATOM 397 N LEU A 775 0.414 27.671 -13.441 1.00 23.44 N ATOM 398 CA LEU A 775 1.384 28.749 -13.284 1.00 12.45 C ATOM 399 C LEU A 775 1.421 29.633 -14.526 1.00 11.40 C ATOM 400 O LEU A 775 1.674 30.836 -14.438 1.00 63.44 O ATOM 401 CB LEU A 775 2.775 28.175 -13.010 1.00 41.42 C ATOM 402 CG LEU A 775 3.740 29.087 -12.252 1.00 44.42 C ATOM 403 CD1 LEU A 775 3.227 29.357 -10.846 1.00 50.23 C ATOM 404 CD2 LEU A 775 5.131 28.471 -12.205 1.00 72.20 C ATOM 0 H LEU A 775 0.812 26.734 -13.382 1.00 23.44 H new ATOM 0 HA LEU A 775 1.077 29.360 -12.435 1.00 12.45 H new ATOM 0 HB2 LEU A 775 2.660 27.251 -12.444 1.00 41.42 H new ATOM 0 HB3 LEU A 775 3.231 27.910 -13.964 1.00 41.42 H new ATOM 0 HG LEU A 775 3.803 30.037 -12.782 1.00 44.42 H new ATOM 0 HD11 LEU A 775 3.927 30.008 -10.322 1.00 50.23 H new ATOM 0 HD12 LEU A 775 2.252 29.842 -10.901 1.00 50.23 H new ATOM 0 HD13 LEU A 775 3.133 28.415 -10.306 1.00 50.23 H new ATOM 0 HD21 LEU A 775 5.804 29.134 -11.662 1.00 72.20 H new ATOM 0 HD22 LEU A 775 5.085 27.507 -11.699 1.00 72.20 H new ATOM 0 HD23 LEU A 775 5.501 28.331 -13.221 1.00 72.20 H new ATOM 416 N LEU A 776 1.165 29.031 -15.682 1.00 11.00 N ATOM 417 CA LEU A 776 1.167 29.764 -16.943 1.00 74.24 C ATOM 418 C LEU A 776 -0.014 30.727 -17.015 1.00 4.51 C ATOM 419 O LEU A 776 0.167 31.934 -17.185 1.00 71.45 O ATOM 420 CB LEU A 776 1.117 28.790 -18.122 1.00 35.22 C ATOM 421 CG LEU A 776 0.871 29.412 -19.497 1.00 22.01 C ATOM 422 CD1 LEU A 776 1.734 28.735 -20.551 1.00 2.44 C ATOM 423 CD2 LEU A 776 -0.601 29.318 -19.870 1.00 32.31 C ATOM 0 H LEU A 776 0.953 28.037 -15.772 1.00 11.00 H new ATOM 0 HA LEU A 776 2.089 30.343 -16.996 1.00 74.24 H new ATOM 0 HB2 LEU A 776 2.060 28.244 -18.156 1.00 35.22 H new ATOM 0 HB3 LEU A 776 0.331 28.059 -17.930 1.00 35.22 H new ATOM 0 HG LEU A 776 1.147 30.466 -19.452 1.00 22.01 H new ATOM 0 HD11 LEU A 776 1.546 29.191 -21.523 1.00 2.44 H new ATOM 0 HD12 LEU A 776 2.786 28.855 -20.292 1.00 2.44 H new ATOM 0 HD13 LEU A 776 1.490 27.674 -20.594 1.00 2.44 H new ATOM 0 HD21 LEU A 776 -0.757 29.766 -20.852 1.00 32.31 H new ATOM 0 HD22 LEU A 776 -0.904 28.271 -19.896 1.00 32.31 H new ATOM 0 HD23 LEU A 776 -1.199 29.850 -19.130 1.00 32.31 H new ATOM 435 N ILE A 777 -1.220 30.188 -16.881 1.00 73.33 N ATOM 436 CA ILE A 777 -2.429 31.000 -16.927 1.00 55.45 C ATOM 437 C ILE A 777 -2.405 32.083 -15.854 1.00 53.31 C ATOM 438 O ILE A 777 -2.910 33.187 -16.059 1.00 51.21 O ATOM 439 CB ILE A 777 -3.694 30.140 -16.744 1.00 65.12 C ATOM 440 CG1 ILE A 777 -3.600 29.326 -15.452 1.00 10.22 C ATOM 441 CG2 ILE A 777 -3.887 29.222 -17.942 1.00 34.23 C ATOM 442 CD1 ILE A 777 -4.807 28.449 -15.202 1.00 24.15 C ATOM 0 H ILE A 777 -1.386 29.192 -16.740 1.00 73.33 H new ATOM 0 HA ILE A 777 -2.457 31.467 -17.911 1.00 55.45 H new ATOM 0 HB ILE A 777 -4.558 30.800 -16.673 1.00 65.12 H new ATOM 0 HG12 ILE A 777 -2.708 28.701 -15.490 1.00 10.22 H new ATOM 0 HG13 ILE A 777 -3.476 30.008 -14.611 1.00 10.22 H new ATOM 0 HG21 ILE A 777 -4.785 28.620 -17.799 1.00 34.23 H new ATOM 0 HG22 ILE A 777 -3.992 29.821 -18.846 1.00 34.23 H new ATOM 0 HG23 ILE A 777 -3.022 28.566 -18.040 1.00 34.23 H new ATOM 0 HD11 ILE A 777 -4.672 27.901 -14.269 1.00 24.15 H new ATOM 0 HD12 ILE A 777 -5.700 29.070 -15.132 1.00 24.15 H new ATOM 0 HD13 ILE A 777 -4.920 27.743 -16.025 1.00 24.15 H new ATOM 454 N VAL A 778 -1.813 31.760 -14.709 1.00 12.44 N ATOM 455 CA VAL A 778 -1.720 32.706 -13.603 1.00 1.30 C ATOM 456 C VAL A 778 -0.793 33.866 -13.949 1.00 1.12 C ATOM 457 O VAL A 778 -1.220 35.020 -14.013 1.00 63.52 O ATOM 458 CB VAL A 778 -1.211 32.022 -12.320 1.00 74.12 C ATOM 459 CG1 VAL A 778 -0.897 33.057 -11.251 1.00 51.21 C ATOM 460 CG2 VAL A 778 -2.232 31.014 -11.814 1.00 72.12 C ATOM 0 H VAL A 778 -1.390 30.851 -14.523 1.00 12.44 H new ATOM 0 HA VAL A 778 -2.726 33.088 -13.428 1.00 1.30 H new ATOM 0 HB VAL A 778 -0.291 31.487 -12.555 1.00 74.12 H new ATOM 0 HG11 VAL A 778 -0.539 32.555 -10.352 1.00 51.21 H new ATOM 0 HG12 VAL A 778 -0.128 33.737 -11.618 1.00 51.21 H new ATOM 0 HG13 VAL A 778 -1.799 33.622 -11.016 1.00 51.21 H new ATOM 0 HG21 VAL A 778 -1.857 30.540 -10.907 1.00 72.12 H new ATOM 0 HG22 VAL A 778 -3.170 31.525 -11.595 1.00 72.12 H new ATOM 0 HG23 VAL A 778 -2.402 30.254 -12.577 1.00 72.12 H new ATOM 470 N THR A 779 0.480 33.553 -14.172 1.00 11.25 N ATOM 471 CA THR A 779 1.469 34.569 -14.510 1.00 73.24 C ATOM 472 C THR A 779 1.034 35.373 -15.730 1.00 45.52 C ATOM 473 O THR A 779 1.378 36.548 -15.865 1.00 71.01 O ATOM 474 CB THR A 779 2.847 33.940 -14.788 1.00 42.24 C ATOM 475 OG1 THR A 779 3.850 34.961 -14.836 1.00 24.12 O ATOM 476 CG2 THR A 779 2.837 33.171 -16.101 1.00 15.12 C ATOM 0 H THR A 779 0.850 32.604 -14.125 1.00 11.25 H new ATOM 0 HA THR A 779 1.548 35.233 -13.649 1.00 73.24 H new ATOM 0 HB THR A 779 3.074 33.245 -13.980 1.00 42.24 H new ATOM 0 HG1 THR A 779 4.724 34.553 -15.012 1.00 24.12 H new ATOM 0 HG21 THR A 779 3.821 32.736 -16.275 1.00 15.12 H new ATOM 0 HG22 THR A 779 2.093 32.376 -16.052 1.00 15.12 H new ATOM 0 HG23 THR A 779 2.590 33.849 -16.918 1.00 15.12 H new ATOM 484 N ARG A 780 0.277 34.734 -16.616 1.00 2.51 N ATOM 485 CA ARG A 780 -0.204 35.392 -17.825 1.00 64.42 C ATOM 486 C ARG A 780 -1.249 36.451 -17.489 1.00 42.34 C ATOM 487 O ARG A 780 -1.072 37.631 -17.796 1.00 22.33 O ATOM 488 CB ARG A 780 -0.797 34.362 -18.789 1.00 43.31 C ATOM 489 CG ARG A 780 -0.982 34.888 -20.203 1.00 52.01 C ATOM 490 CD ARG A 780 -2.371 35.474 -20.402 1.00 13.12 C ATOM 491 NE ARG A 780 -3.385 34.436 -20.564 1.00 73.32 N ATOM 492 CZ ARG A 780 -4.569 34.646 -21.129 1.00 12.54 C ATOM 493 NH1 ARG A 780 -4.886 35.851 -21.582 1.00 41.34 N ATOM 494 NH2 ARG A 780 -5.439 33.651 -21.240 1.00 70.33 N ATOM 0 H ARG A 780 -0.016 33.762 -16.519 1.00 2.51 H new ATOM 0 HA ARG A 780 0.643 35.883 -18.304 1.00 64.42 H new ATOM 0 HB2 ARG A 780 -0.147 33.487 -18.818 1.00 43.31 H new ATOM 0 HB3 ARG A 780 -1.761 34.030 -18.405 1.00 43.31 H new ATOM 0 HG2 ARG A 780 -0.231 35.651 -20.410 1.00 52.01 H new ATOM 0 HG3 ARG A 780 -0.821 34.080 -20.917 1.00 52.01 H new ATOM 0 HD2 ARG A 780 -2.626 36.100 -19.547 1.00 13.12 H new ATOM 0 HD3 ARG A 780 -2.370 36.120 -21.280 1.00 13.12 H new ATOM 0 HE ARG A 780 -3.173 33.498 -20.225 1.00 73.32 H new ATOM 0 HH11 ARG A 780 -4.220 36.619 -21.497 1.00 41.34 H new ATOM 0 HH12 ARG A 780 -5.796 36.010 -22.015 1.00 41.34 H new ATOM 0 HH21 ARG A 780 -5.200 32.723 -20.891 1.00 70.33 H new ATOM 0 HH22 ARG A 780 -6.348 33.814 -21.674 1.00 70.33 H new ATOM 508 N ILE A 781 -2.337 36.022 -16.859 1.00 51.41 N ATOM 509 CA ILE A 781 -3.410 36.934 -16.482 1.00 2.34 C ATOM 510 C ILE A 781 -2.896 38.036 -15.560 1.00 74.43 C ATOM 511 O ILE A 781 -3.371 39.171 -15.607 1.00 71.41 O ATOM 512 CB ILE A 781 -4.561 36.189 -15.781 1.00 12.44 C ATOM 513 CG1 ILE A 781 -5.201 35.180 -16.736 1.00 54.42 C ATOM 514 CG2 ILE A 781 -5.600 37.178 -15.272 1.00 43.11 C ATOM 515 CD1 ILE A 781 -5.895 35.823 -17.917 1.00 62.53 C ATOM 0 H ILE A 781 -2.499 35.049 -16.599 1.00 51.41 H new ATOM 0 HA ILE A 781 -3.784 37.380 -17.404 1.00 2.34 H new ATOM 0 HB ILE A 781 -4.156 35.646 -14.927 1.00 12.44 H new ATOM 0 HG12 ILE A 781 -4.432 34.500 -17.103 1.00 54.42 H new ATOM 0 HG13 ILE A 781 -5.923 34.577 -16.185 1.00 54.42 H new ATOM 0 HG21 ILE A 781 -6.407 36.636 -14.779 1.00 43.11 H new ATOM 0 HG22 ILE A 781 -5.135 37.861 -14.562 1.00 43.11 H new ATOM 0 HG23 ILE A 781 -6.003 37.746 -16.110 1.00 43.11 H new ATOM 0 HD11 ILE A 781 -6.326 35.049 -18.552 1.00 62.53 H new ATOM 0 HD12 ILE A 781 -6.687 36.481 -17.560 1.00 62.53 H new ATOM 0 HD13 ILE A 781 -5.173 36.403 -18.492 1.00 62.53 H new ATOM 527 N VAL A 782 -1.922 37.693 -14.724 1.00 2.33 N ATOM 528 CA VAL A 782 -1.341 38.654 -13.793 1.00 21.51 C ATOM 529 C VAL A 782 -0.438 39.645 -14.518 1.00 70.13 C ATOM 530 O VAL A 782 -0.409 40.829 -14.187 1.00 4.53 O ATOM 531 CB VAL A 782 -0.528 37.947 -12.692 1.00 35.34 C ATOM 532 CG1 VAL A 782 0.120 38.967 -11.768 1.00 35.21 C ATOM 533 CG2 VAL A 782 -1.415 36.991 -11.907 1.00 5.45 C ATOM 0 H VAL A 782 -1.518 36.758 -14.672 1.00 2.33 H new ATOM 0 HA VAL A 782 -2.171 39.191 -13.334 1.00 21.51 H new ATOM 0 HB VAL A 782 0.264 37.367 -13.165 1.00 35.34 H new ATOM 0 HG11 VAL A 782 0.690 38.449 -10.997 1.00 35.21 H new ATOM 0 HG12 VAL A 782 0.788 39.607 -12.344 1.00 35.21 H new ATOM 0 HG13 VAL A 782 -0.653 39.577 -11.300 1.00 35.21 H new ATOM 0 HG21 VAL A 782 -0.825 36.500 -11.133 1.00 5.45 H new ATOM 0 HG22 VAL A 782 -2.230 37.548 -11.444 1.00 5.45 H new ATOM 0 HG23 VAL A 782 -1.826 36.240 -12.581 1.00 5.45 H new ATOM 543 N GLU A 783 0.297 39.152 -15.510 1.00 71.52 N ATOM 544 CA GLU A 783 1.201 39.995 -16.283 1.00 4.15 C ATOM 545 C GLU A 783 0.427 40.858 -17.274 1.00 53.14 C ATOM 546 O GLU A 783 0.858 41.956 -17.629 1.00 64.34 O ATOM 547 CB GLU A 783 2.224 39.136 -17.028 1.00 24.40 C ATOM 548 CG GLU A 783 3.280 39.945 -17.762 1.00 3.22 C ATOM 549 CD GLU A 783 4.252 40.628 -16.819 1.00 33.03 C ATOM 550 OE1 GLU A 783 4.753 39.954 -15.894 1.00 53.21 O ATOM 551 OE2 GLU A 783 4.511 41.835 -17.005 1.00 13.24 O ATOM 0 H GLU A 783 0.284 38.173 -15.797 1.00 71.52 H new ATOM 0 HA GLU A 783 1.726 40.652 -15.589 1.00 4.15 H new ATOM 0 HB2 GLU A 783 2.716 38.473 -16.316 1.00 24.40 H new ATOM 0 HB3 GLU A 783 1.701 38.503 -17.744 1.00 24.40 H new ATOM 0 HG2 GLU A 783 3.832 39.289 -18.435 1.00 3.22 H new ATOM 0 HG3 GLU A 783 2.791 40.697 -18.381 1.00 3.22 H new ATOM 850 N LEU A 800 -19.214 51.055 -10.410 1.00 44.44 N ATOM 851 CA LEU A 800 -19.551 51.314 -9.015 1.00 32.11 C ATOM 852 C LEU A 800 -20.480 52.518 -8.893 1.00 70.33 C ATOM 853 O LEU A 800 -21.587 52.408 -8.366 1.00 42.24 O ATOM 854 CB LEU A 800 -18.280 51.552 -8.198 1.00 31.53 C ATOM 855 CG LEU A 800 -18.483 51.836 -6.709 1.00 44.21 C ATOM 856 CD1 LEU A 800 -17.315 51.295 -5.899 1.00 1.54 C ATOM 857 CD2 LEU A 800 -18.654 53.329 -6.470 1.00 51.21 C ATOM 0 HA LEU A 800 -20.068 50.438 -8.624 1.00 32.11 H new ATOM 0 HB2 LEU A 800 -17.639 50.676 -8.296 1.00 31.53 H new ATOM 0 HB3 LEU A 800 -17.741 52.392 -8.637 1.00 31.53 H new ATOM 0 HG LEU A 800 -19.391 51.329 -6.382 1.00 44.21 H new ATOM 0 HD11 LEU A 800 -17.477 51.506 -4.842 1.00 1.54 H new ATOM 0 HD12 LEU A 800 -17.238 50.218 -6.046 1.00 1.54 H new ATOM 0 HD13 LEU A 800 -16.392 51.773 -6.228 1.00 1.54 H new ATOM 0 HD21 LEU A 800 -18.797 53.513 -5.405 1.00 51.21 H new ATOM 0 HD22 LEU A 800 -17.764 53.857 -6.813 1.00 51.21 H new ATOM 0 HD23 LEU A 800 -19.523 53.688 -7.021 1.00 51.21 H new ATOM 869 N GLN A 801 -20.022 53.664 -9.386 1.00 52.00 N ATOM 870 CA GLN A 801 -20.813 54.888 -9.334 1.00 34.35 C ATOM 871 C GLN A 801 -22.138 54.712 -10.069 1.00 22.41 C ATOM 872 O GLN A 801 -23.174 55.211 -9.630 1.00 50.55 O ATOM 873 CB GLN A 801 -20.030 56.053 -9.941 1.00 32.12 C ATOM 874 CG GLN A 801 -18.892 56.544 -9.062 1.00 5.43 C ATOM 875 CD GLN A 801 -19.370 57.052 -7.716 1.00 35.32 C ATOM 876 OE1 GLN A 801 -20.571 57.211 -7.491 1.00 5.42 O ATOM 877 NE2 GLN A 801 -18.432 57.308 -6.812 1.00 35.05 N ATOM 0 H GLN A 801 -19.108 53.771 -9.826 1.00 52.00 H new ATOM 0 HA GLN A 801 -21.026 55.109 -8.288 1.00 34.35 H new ATOM 0 HB2 GLN A 801 -19.626 55.745 -10.906 1.00 32.12 H new ATOM 0 HB3 GLN A 801 -20.714 56.880 -10.131 1.00 32.12 H new ATOM 0 HG2 GLN A 801 -18.181 55.732 -8.908 1.00 5.43 H new ATOM 0 HG3 GLN A 801 -18.358 57.342 -9.578 1.00 5.43 H new ATOM 0 HE21 GLN A 801 -17.449 57.162 -7.042 1.00 35.05 H new ATOM 0 HE22 GLN A 801 -18.694 57.651 -5.888 1.00 35.05 H new ATOM 886 N TYR A 802 -22.096 53.999 -11.189 1.00 34.30 N ATOM 887 CA TYR A 802 -23.293 53.759 -11.987 1.00 41.01 C ATOM 888 C TYR A 802 -24.397 53.135 -11.139 1.00 54.33 C ATOM 889 O TYR A 802 -25.479 53.704 -10.993 1.00 51.52 O ATOM 890 CB TYR A 802 -22.967 52.847 -13.171 1.00 53.33 C ATOM 891 CG TYR A 802 -23.004 53.554 -14.508 1.00 31.05 C ATOM 892 CD1 TYR A 802 -24.106 54.312 -14.884 1.00 71.25 C ATOM 893 CD2 TYR A 802 -21.938 53.463 -15.393 1.00 43.24 C ATOM 894 CE1 TYR A 802 -24.145 54.959 -16.105 1.00 24.34 C ATOM 895 CE2 TYR A 802 -21.967 54.108 -16.615 1.00 21.12 C ATOM 896 CZ TYR A 802 -23.072 54.854 -16.966 1.00 15.11 C ATOM 897 OH TYR A 802 -23.106 55.497 -18.182 1.00 60.43 O ATOM 0 H TYR A 802 -21.247 53.577 -11.565 1.00 34.30 H new ATOM 0 HA TYR A 802 -23.647 54.719 -12.363 1.00 41.01 H new ATOM 0 HB2 TYR A 802 -21.977 52.416 -13.025 1.00 53.33 H new ATOM 0 HB3 TYR A 802 -23.676 52.019 -13.187 1.00 53.33 H new ATOM 0 HD1 TYR A 802 -24.946 54.397 -14.211 1.00 71.25 H new ATOM 0 HD2 TYR A 802 -21.071 52.878 -15.122 1.00 43.24 H new ATOM 0 HE1 TYR A 802 -25.010 55.543 -16.383 1.00 24.34 H new ATOM 0 HE2 TYR A 802 -21.129 54.028 -17.291 1.00 21.12 H new ATOM 0 HH TYR A 802 -22.273 55.323 -18.668 1.00 60.43 H new ATOM 907 N TRP A 803 -24.116 51.963 -10.583 1.00 23.04 N ATOM 908 CA TRP A 803 -25.084 51.261 -9.748 1.00 73.12 C ATOM 909 C TRP A 803 -25.496 52.116 -8.555 1.00 52.21 C ATOM 910 O TRP A 803 -26.683 52.249 -8.255 1.00 44.32 O ATOM 911 CB TRP A 803 -24.502 49.933 -9.263 1.00 21.45 C ATOM 912 CG TRP A 803 -24.027 49.049 -10.377 1.00 12.45 C ATOM 913 CD1 TRP A 803 -22.785 48.498 -10.513 1.00 11.40 C ATOM 914 CD2 TRP A 803 -24.787 48.618 -11.511 1.00 23.43 C ATOM 915 NE1 TRP A 803 -22.727 47.750 -11.664 1.00 23.12 N ATOM 916 CE2 TRP A 803 -23.942 47.806 -12.293 1.00 41.23 C ATOM 917 CE3 TRP A 803 -26.098 48.835 -11.940 1.00 54.44 C ATOM 918 CZ2 TRP A 803 -24.368 47.215 -13.480 1.00 0.31 C ATOM 919 CZ3 TRP A 803 -26.520 48.249 -13.118 1.00 64.54 C ATOM 920 CH2 TRP A 803 -25.657 47.446 -13.877 1.00 32.32 C ATOM 0 H TRP A 803 -23.226 51.478 -10.695 1.00 23.04 H new ATOM 0 HA TRP A 803 -25.970 51.062 -10.351 1.00 73.12 H new ATOM 0 HB2 TRP A 803 -23.670 50.134 -8.589 1.00 21.45 H new ATOM 0 HB3 TRP A 803 -25.259 49.402 -8.686 1.00 21.45 H new ATOM 0 HD1 TRP A 803 -21.969 48.631 -9.818 1.00 11.40 H new ATOM 0 HE1 TRP A 803 -21.911 47.236 -11.996 1.00 23.12 H new ATOM 0 HE3 TRP A 803 -26.771 49.450 -11.361 1.00 54.44 H new ATOM 0 HZ2 TRP A 803 -23.705 46.596 -14.066 1.00 0.31 H new ATOM 0 HZ3 TRP A 803 -27.531 48.412 -13.460 1.00 64.54 H new ATOM 0 HH2 TRP A 803 -26.017 47.001 -14.793 1.00 32.32 H new ATOM 931 N SER A 804 -24.509 52.694 -7.878 1.00 12.11 N ATOM 932 CA SER A 804 -24.770 53.534 -6.715 1.00 2.13 C ATOM 933 C SER A 804 -25.802 54.609 -7.041 1.00 74.21 C ATOM 934 O SER A 804 -26.874 54.657 -6.438 1.00 52.24 O ATOM 935 CB SER A 804 -23.474 54.187 -6.230 1.00 22.53 C ATOM 936 OG SER A 804 -23.578 54.581 -4.873 1.00 20.55 O ATOM 0 H SER A 804 -23.522 52.596 -8.115 1.00 12.11 H new ATOM 0 HA SER A 804 -25.169 52.900 -5.923 1.00 2.13 H new ATOM 0 HB2 SER A 804 -22.645 53.488 -6.347 1.00 22.53 H new ATOM 0 HB3 SER A 804 -23.248 55.056 -6.848 1.00 22.53 H new ATOM 0 HG SER A 804 -22.737 54.994 -4.587 1.00 20.55 H new ATOM 942 N GLN A 805 -25.470 55.468 -7.999 1.00 52.20 N ATOM 943 CA GLN A 805 -26.368 56.543 -8.405 1.00 61.14 C ATOM 944 C GLN A 805 -27.707 55.985 -8.876 1.00 31.12 C ATOM 945 O GLN A 805 -28.752 56.604 -8.676 1.00 62.43 O ATOM 946 CB GLN A 805 -25.730 57.376 -9.518 1.00 64.45 C ATOM 947 CG GLN A 805 -26.667 58.412 -10.117 1.00 31.11 C ATOM 948 CD GLN A 805 -27.152 59.420 -9.094 1.00 1.21 C ATOM 949 OE1 GLN A 805 -27.842 59.068 -8.137 1.00 13.00 O ATOM 950 NE2 GLN A 805 -26.792 60.683 -9.290 1.00 51.25 N ATOM 0 H GLN A 805 -24.587 55.441 -8.508 1.00 52.20 H new ATOM 0 HA GLN A 805 -26.545 57.181 -7.539 1.00 61.14 H new ATOM 0 HB2 GLN A 805 -24.849 57.881 -9.122 1.00 64.45 H new ATOM 0 HB3 GLN A 805 -25.387 56.709 -10.309 1.00 64.45 H new ATOM 0 HG2 GLN A 805 -26.155 58.936 -10.924 1.00 31.11 H new ATOM 0 HG3 GLN A 805 -27.526 57.907 -10.560 1.00 31.11 H new ATOM 0 HE21 GLN A 805 -26.219 60.931 -10.097 1.00 51.25 H new ATOM 0 HE22 GLN A 805 -27.088 61.405 -8.634 1.00 51.25 H new ATOM 959 N GLU A 806 -27.667 54.813 -9.501 1.00 74.44 N ATOM 960 CA GLU A 806 -28.879 54.173 -10.001 1.00 64.30 C ATOM 961 C GLU A 806 -29.859 53.900 -8.864 1.00 1.33 C ATOM 962 O GLU A 806 -31.038 54.245 -8.949 1.00 53.23 O ATOM 963 CB GLU A 806 -28.533 52.865 -10.716 1.00 34.43 C ATOM 964 CG GLU A 806 -28.822 52.891 -12.207 1.00 41.33 C ATOM 965 CD GLU A 806 -30.260 52.535 -12.530 1.00 30.32 C ATOM 966 OE1 GLU A 806 -30.987 52.108 -11.609 1.00 21.23 O ATOM 967 OE2 GLU A 806 -30.658 52.683 -13.704 1.00 53.02 O ATOM 0 H GLU A 806 -26.810 54.287 -9.673 1.00 74.44 H new ATOM 0 HA GLU A 806 -29.352 54.852 -10.710 1.00 64.30 H new ATOM 0 HB2 GLU A 806 -27.476 52.646 -10.563 1.00 34.43 H new ATOM 0 HB3 GLU A 806 -29.096 52.051 -10.259 1.00 34.43 H new ATOM 0 HG2 GLU A 806 -28.601 53.884 -12.599 1.00 41.33 H new ATOM 0 HG3 GLU A 806 -28.156 52.193 -12.714 1.00 41.33 H new ATOM 974 N LEU A 807 -29.363 53.279 -7.799 1.00 41.04 N ATOM 975 CA LEU A 807 -30.194 52.959 -6.644 1.00 10.00 C ATOM 976 C LEU A 807 -30.624 54.228 -5.914 1.00 63.41 C ATOM 977 O LEU A 807 -31.736 54.311 -5.393 1.00 20.21 O ATOM 978 CB LEU A 807 -29.437 52.037 -5.686 1.00 51.41 C ATOM 979 CG LEU A 807 -29.637 50.537 -5.900 1.00 33.41 C ATOM 980 CD1 LEU A 807 -28.826 50.055 -7.093 1.00 34.53 C ATOM 981 CD2 LEU A 807 -29.256 49.764 -4.646 1.00 21.32 C ATOM 0 H LEU A 807 -28.390 52.987 -7.712 1.00 41.04 H new ATOM 0 HA LEU A 807 -31.088 52.447 -7.001 1.00 10.00 H new ATOM 0 HB2 LEU A 807 -28.372 52.257 -5.768 1.00 51.41 H new ATOM 0 HB3 LEU A 807 -29.736 52.281 -4.667 1.00 51.41 H new ATOM 0 HG LEU A 807 -30.692 50.356 -6.107 1.00 33.41 H new ATOM 0 HD11 LEU A 807 -28.981 48.985 -7.230 1.00 34.53 H new ATOM 0 HD12 LEU A 807 -29.147 50.586 -7.989 1.00 34.53 H new ATOM 0 HD13 LEU A 807 -27.768 50.249 -6.916 1.00 34.53 H new ATOM 0 HD21 LEU A 807 -29.405 48.698 -4.817 1.00 21.32 H new ATOM 0 HD22 LEU A 807 -28.209 49.951 -4.408 1.00 21.32 H new ATOM 0 HD23 LEU A 807 -29.881 50.089 -3.814 1.00 21.32 H new ATOM 993 N LYS A 808 -29.735 55.215 -5.882 1.00 54.23 N ATOM 994 CA LYS A 808 -30.022 56.482 -5.220 1.00 14.11 C ATOM 995 C LYS A 808 -31.126 57.240 -5.951 1.00 2.42 C ATOM 996 O LYS A 808 -32.172 57.538 -5.377 1.00 12.24 O ATOM 997 CB LYS A 808 -28.759 57.342 -5.149 1.00 45.12 C ATOM 998 CG LYS A 808 -28.723 58.273 -3.950 1.00 1.50 C ATOM 999 CD LYS A 808 -28.322 57.536 -2.683 1.00 43.52 C ATOM 1000 CE LYS A 808 -26.810 57.479 -2.527 1.00 1.01 C ATOM 1001 NZ LYS A 808 -26.212 58.838 -2.411 1.00 12.10 N ATOM 0 H LYS A 808 -28.809 55.162 -6.307 1.00 54.23 H new ATOM 0 HA LYS A 808 -30.363 56.265 -4.208 1.00 14.11 H new ATOM 0 HB2 LYS A 808 -27.887 56.689 -5.118 1.00 45.12 H new ATOM 0 HB3 LYS A 808 -28.681 57.934 -6.061 1.00 45.12 H new ATOM 0 HG2 LYS A 808 -28.019 59.084 -4.139 1.00 1.50 H new ATOM 0 HG3 LYS A 808 -29.704 58.728 -3.812 1.00 1.50 H new ATOM 0 HD2 LYS A 808 -28.760 58.033 -1.817 1.00 43.52 H new ATOM 0 HD3 LYS A 808 -28.725 56.523 -2.707 1.00 43.52 H new ATOM 0 HE2 LYS A 808 -26.558 56.895 -1.642 1.00 1.01 H new ATOM 0 HE3 LYS A 808 -26.376 56.963 -3.384 1.00 1.01 H new ATOM 0 HZ1 LYS A 808 -25.324 58.782 -1.872 1.00 12.10 H new ATOM 0 HZ2 LYS A 808 -26.018 59.214 -3.361 1.00 12.10 H new ATOM 0 HZ3 LYS A 808 -26.876 59.469 -1.918 1.00 12.10 H new ATOM 1015 N ASN A 809 -30.885 57.548 -7.221 1.00 44.50 N ATOM 1016 CA ASN A 809 -31.859 58.271 -8.030 1.00 42.35 C ATOM 1017 C ASN A 809 -33.190 57.527 -8.073 1.00 61.13 C ATOM 1018 O ASN A 809 -34.254 58.129 -7.931 1.00 72.23 O ATOM 1019 CB ASN A 809 -31.326 58.469 -9.451 1.00 73.12 C ATOM 1020 CG ASN A 809 -32.408 58.909 -10.418 1.00 53.31 C ATOM 1021 OD1 ASN A 809 -33.078 59.919 -10.200 1.00 33.25 O ATOM 1022 ND2 ASN A 809 -32.584 58.152 -11.494 1.00 61.44 N ATOM 0 H ASN A 809 -30.024 57.308 -7.712 1.00 44.50 H new ATOM 0 HA ASN A 809 -32.023 59.246 -7.571 1.00 42.35 H new ATOM 0 HB2 ASN A 809 -30.530 59.214 -9.437 1.00 73.12 H new ATOM 0 HB3 ASN A 809 -30.884 57.537 -9.804 1.00 73.12 H new ATOM 0 HD21 ASN A 809 -33.297 58.399 -12.180 1.00 61.44 H new ATOM 0 HD22 ASN A 809 -32.006 57.323 -11.635 1.00 61.44 H new ATOM 1029 N SER A 810 -33.121 56.214 -8.269 1.00 54.13 N ATOM 1030 CA SER A 810 -34.321 55.387 -8.334 1.00 2.30 C ATOM 1031 C SER A 810 -35.069 55.410 -7.004 1.00 64.13 C ATOM 1032 O SER A 810 -36.271 55.668 -6.960 1.00 41.12 O ATOM 1033 CB SER A 810 -33.955 53.948 -8.702 1.00 4.13 C ATOM 1034 OG SER A 810 -35.077 53.091 -8.588 1.00 15.11 O ATOM 0 H SER A 810 -32.248 55.700 -8.385 1.00 54.13 H new ATOM 0 HA SER A 810 -34.974 55.796 -9.105 1.00 2.30 H new ATOM 0 HB2 SER A 810 -33.572 53.917 -9.722 1.00 4.13 H new ATOM 0 HB3 SER A 810 -33.156 53.595 -8.050 1.00 4.13 H new ATOM 0 HG SER A 810 -34.817 52.178 -8.830 1.00 15.11 H new ATOM 1040 N ALA A 811 -34.347 55.137 -5.922 1.00 42.32 N ATOM 1041 CA ALA A 811 -34.940 55.128 -4.591 1.00 30.13 C ATOM 1042 C ALA A 811 -35.713 56.415 -4.325 1.00 2.40 C ATOM 1043 O ALA A 811 -36.881 56.382 -3.938 1.00 72.55 O ATOM 1044 CB ALA A 811 -33.863 54.929 -3.535 1.00 30.05 C ATOM 0 H ALA A 811 -33.351 54.919 -5.942 1.00 42.32 H new ATOM 0 HA ALA A 811 -35.643 54.296 -4.539 1.00 30.13 H new ATOM 0 HB1 ALA A 811 -34.320 54.924 -2.545 1.00 30.05 H new ATOM 0 HB2 ALA A 811 -33.357 53.979 -3.706 1.00 30.05 H new ATOM 0 HB3 ALA A 811 -33.139 55.741 -3.596 1.00 30.05 H new ATOM 1050 N VAL A 812 -35.053 57.550 -4.534 1.00 1.21 N ATOM 1051 CA VAL A 812 -35.678 58.849 -4.317 1.00 53.32 C ATOM 1052 C VAL A 812 -36.858 59.055 -5.260 1.00 51.44 C ATOM 1053 O VAL A 812 -37.874 59.638 -4.882 1.00 64.23 O ATOM 1054 CB VAL A 812 -34.671 59.997 -4.515 1.00 4.32 C ATOM 1055 CG1 VAL A 812 -35.340 61.342 -4.278 1.00 52.42 C ATOM 1056 CG2 VAL A 812 -33.473 59.819 -3.594 1.00 12.14 C ATOM 0 H VAL A 812 -34.085 57.596 -4.853 1.00 1.21 H new ATOM 0 HA VAL A 812 -36.033 58.861 -3.286 1.00 53.32 H new ATOM 0 HB VAL A 812 -34.316 59.972 -5.545 1.00 4.32 H new ATOM 0 HG11 VAL A 812 -34.613 62.141 -4.423 1.00 52.42 H new ATOM 0 HG12 VAL A 812 -36.162 61.468 -4.982 1.00 52.42 H new ATOM 0 HG13 VAL A 812 -35.725 61.382 -3.259 1.00 52.42 H new ATOM 0 HG21 VAL A 812 -32.771 60.639 -3.747 1.00 12.14 H new ATOM 0 HG22 VAL A 812 -33.808 59.817 -2.557 1.00 12.14 H new ATOM 0 HG23 VAL A 812 -32.980 58.873 -3.817 1.00 12.14 H new ATOM 1066 N ASN A 813 -36.716 58.573 -6.491 1.00 35.23 N ATOM 1067 CA ASN A 813 -37.771 58.704 -7.489 1.00 52.13 C ATOM 1068 C ASN A 813 -38.996 57.884 -7.098 1.00 34.34 C ATOM 1069 O ASN A 813 -40.134 58.294 -7.333 1.00 44.35 O ATOM 1070 CB ASN A 813 -37.262 58.257 -8.861 1.00 42.52 C ATOM 1071 CG ASN A 813 -38.231 58.599 -9.977 1.00 24.31 C ATOM 1072 OD1 ASN A 813 -38.831 59.673 -9.985 1.00 53.24 O ATOM 1073 ND2 ASN A 813 -38.387 57.683 -10.925 1.00 62.54 N ATOM 0 H ASN A 813 -35.881 58.089 -6.821 1.00 35.23 H new ATOM 0 HA ASN A 813 -38.060 59.754 -7.539 1.00 52.13 H new ATOM 0 HB2 ASN A 813 -36.301 58.730 -9.061 1.00 42.52 H new ATOM 0 HB3 ASN A 813 -37.091 57.181 -8.849 1.00 42.52 H new ATOM 0 HD21 ASN A 813 -39.026 57.856 -11.701 1.00 62.54 H new ATOM 0 HD22 ASN A 813 -37.868 56.806 -10.877 1.00 62.54 H new ATOM 1080 N LEU A 814 -38.757 56.723 -6.498 1.00 30.12 N ATOM 1081 CA LEU A 814 -39.841 55.844 -6.072 1.00 24.11 C ATOM 1082 C LEU A 814 -40.586 56.437 -4.881 1.00 33.44 C ATOM 1083 O LEU A 814 -41.817 56.414 -4.831 1.00 21.53 O ATOM 1084 CB LEU A 814 -39.291 54.463 -5.709 1.00 10.44 C ATOM 1085 CG LEU A 814 -40.275 53.298 -5.821 1.00 41.35 C ATOM 1086 CD1 LEU A 814 -41.415 53.465 -4.829 1.00 75.25 C ATOM 1087 CD2 LEU A 814 -40.812 53.189 -7.241 1.00 41.41 C ATOM 0 H LEU A 814 -37.822 56.368 -6.295 1.00 30.12 H new ATOM 0 HA LEU A 814 -40.541 55.743 -6.901 1.00 24.11 H new ATOM 0 HB2 LEU A 814 -38.436 54.254 -6.352 1.00 10.44 H new ATOM 0 HB3 LEU A 814 -38.918 54.500 -4.686 1.00 10.44 H new ATOM 0 HG LEU A 814 -39.746 52.376 -5.582 1.00 41.35 H new ATOM 0 HD11 LEU A 814 -42.105 52.627 -4.923 1.00 75.25 H new ATOM 0 HD12 LEU A 814 -41.014 53.493 -3.816 1.00 75.25 H new ATOM 0 HD13 LEU A 814 -41.944 54.395 -5.036 1.00 75.25 H new ATOM 0 HD21 LEU A 814 -41.511 52.355 -7.303 1.00 41.41 H new ATOM 0 HD22 LEU A 814 -41.325 54.113 -7.508 1.00 41.41 H new ATOM 0 HD23 LEU A 814 -39.985 53.021 -7.931 1.00 41.41 H new ATOM 1099 N LEU A 815 -39.834 56.969 -3.924 1.00 10.01 N ATOM 1100 CA LEU A 815 -40.424 57.571 -2.733 1.00 25.21 C ATOM 1101 C LEU A 815 -41.275 58.782 -3.099 1.00 43.33 C ATOM 1102 O LEU A 815 -42.433 58.883 -2.698 1.00 52.51 O ATOM 1103 CB LEU A 815 -39.327 57.983 -1.749 1.00 63.53 C ATOM 1104 CG LEU A 815 -38.437 56.855 -1.226 1.00 22.33 C ATOM 1105 CD1 LEU A 815 -37.095 57.403 -0.766 1.00 42.13 C ATOM 1106 CD2 LEU A 815 -39.128 56.113 -0.091 1.00 73.44 C ATOM 0 H LEU A 815 -38.815 56.996 -3.949 1.00 10.01 H new ATOM 0 HA LEU A 815 -41.067 56.828 -2.261 1.00 25.21 H new ATOM 0 HB2 LEU A 815 -38.692 58.725 -2.233 1.00 63.53 H new ATOM 0 HB3 LEU A 815 -39.797 58.473 -0.896 1.00 63.53 H new ATOM 0 HG LEU A 815 -38.260 56.152 -2.040 1.00 22.33 H new ATOM 0 HD11 LEU A 815 -36.475 56.586 -0.397 1.00 42.13 H new ATOM 0 HD12 LEU A 815 -36.594 57.889 -1.603 1.00 42.13 H new ATOM 0 HD13 LEU A 815 -37.252 58.128 0.033 1.00 42.13 H new ATOM 0 HD21 LEU A 815 -38.480 55.314 0.269 1.00 73.44 H new ATOM 0 HD22 LEU A 815 -39.336 56.807 0.724 1.00 73.44 H new ATOM 0 HD23 LEU A 815 -40.064 55.687 -0.452 1.00 73.44 H new ATOM 1118 N ASN A 816 -40.692 59.698 -3.866 1.00 41.40 N ATOM 1119 CA ASN A 816 -41.398 60.903 -4.288 1.00 63.34 C ATOM 1120 C ASN A 816 -42.645 60.549 -5.092 1.00 71.43 C ATOM 1121 O ASN A 816 -43.759 60.919 -4.724 1.00 33.33 O ATOM 1122 CB ASN A 816 -40.475 61.793 -5.123 1.00 52.32 C ATOM 1123 CG ASN A 816 -40.597 63.259 -4.754 1.00 54.13 C ATOM 1124 OD1 ASN A 816 -39.786 63.789 -3.995 1.00 41.55 O ATOM 1125 ND2 ASN A 816 -41.616 63.921 -5.291 1.00 42.21 N ATOM 0 H ASN A 816 -39.733 59.629 -4.208 1.00 41.40 H new ATOM 0 HA ASN A 816 -41.705 61.446 -3.394 1.00 63.34 H new ATOM 0 HB2 ASN A 816 -39.443 61.471 -4.986 1.00 52.32 H new ATOM 0 HB3 ASN A 816 -40.711 61.666 -6.180 1.00 52.32 H new ATOM 0 HD21 ASN A 816 -41.750 64.910 -5.079 1.00 42.21 H new ATOM 0 HD22 ASN A 816 -42.264 63.441 -5.915 1.00 42.21 H new ATOM 1132 N ALA A 817 -42.449 59.829 -6.192 1.00 61.22 N ATOM 1133 CA ALA A 817 -43.557 59.422 -7.047 1.00 15.12 C ATOM 1134 C ALA A 817 -44.674 58.780 -6.230 1.00 2.52 C ATOM 1135 O ALA A 817 -45.854 59.059 -6.444 1.00 51.14 O ATOM 1136 CB ALA A 817 -43.070 58.463 -8.123 1.00 11.12 C ATOM 0 H ALA A 817 -41.533 59.516 -6.512 1.00 61.22 H new ATOM 0 HA ALA A 817 -43.959 60.314 -7.527 1.00 15.12 H new ATOM 0 HB1 ALA A 817 -43.908 58.168 -8.754 1.00 11.12 H new ATOM 0 HB2 ALA A 817 -42.313 58.955 -8.733 1.00 11.12 H new ATOM 0 HB3 ALA A 817 -42.640 57.578 -7.654 1.00 11.12 H new ATOM 1142 N THR A 818 -44.294 57.919 -5.292 1.00 20.55 N ATOM 1143 CA THR A 818 -45.263 57.236 -4.444 1.00 22.34 C ATOM 1144 C THR A 818 -46.047 58.229 -3.594 1.00 4.41 C ATOM 1145 O THR A 818 -47.256 58.089 -3.415 1.00 21.13 O ATOM 1146 CB THR A 818 -44.577 56.214 -3.517 1.00 1.22 C ATOM 1147 OG1 THR A 818 -44.010 55.152 -4.292 1.00 55.25 O ATOM 1148 CG2 THR A 818 -45.568 55.644 -2.513 1.00 65.53 C ATOM 0 H THR A 818 -43.322 57.678 -5.100 1.00 20.55 H new ATOM 0 HA THR A 818 -45.949 56.710 -5.109 1.00 22.34 H new ATOM 0 HB THR A 818 -43.785 56.726 -2.971 1.00 1.22 H new ATOM 0 HG1 THR A 818 -43.339 55.517 -4.906 1.00 55.25 H new ATOM 0 HG21 THR A 818 -45.061 54.925 -1.869 1.00 65.53 H new ATOM 0 HG22 THR A 818 -45.975 56.452 -1.905 1.00 65.53 H new ATOM 0 HG23 THR A 818 -46.379 55.146 -3.045 1.00 65.53 H new ATOM 1156 N ALA A 819 -45.350 59.234 -3.073 1.00 40.43 N ATOM 1157 CA ALA A 819 -45.982 60.253 -2.245 1.00 0.45 C ATOM 1158 C ALA A 819 -46.926 61.123 -3.068 1.00 45.21 C ATOM 1159 O ALA A 819 -47.953 61.584 -2.570 1.00 52.13 O ATOM 1160 CB ALA A 819 -44.925 61.113 -1.567 1.00 20.20 C ATOM 0 H ALA A 819 -44.348 59.364 -3.210 1.00 40.43 H new ATOM 0 HA ALA A 819 -46.571 59.748 -1.479 1.00 0.45 H new ATOM 0 HB1 ALA A 819 -45.412 61.870 -0.952 1.00 20.20 H new ATOM 0 HB2 ALA A 819 -44.294 60.485 -0.938 1.00 20.20 H new ATOM 0 HB3 ALA A 819 -44.312 61.601 -2.325 1.00 20.20 H new ATOM 1166 N ILE A 820 -46.570 61.344 -4.329 1.00 43.31 N ATOM 1167 CA ILE A 820 -47.386 62.159 -5.221 1.00 23.21 C ATOM 1168 C ILE A 820 -48.661 61.425 -5.623 1.00 2.34 C ATOM 1169 O ILE A 820 -49.713 62.039 -5.799 1.00 2.15 O ATOM 1170 CB ILE A 820 -46.610 62.551 -6.492 1.00 71.15 C ATOM 1171 CG1 ILE A 820 -45.391 63.401 -6.131 1.00 3.25 C ATOM 1172 CG2 ILE A 820 -47.518 63.300 -7.457 1.00 2.04 C ATOM 1173 CD1 ILE A 820 -45.739 64.668 -5.381 1.00 45.43 C ATOM 0 H ILE A 820 -45.722 60.970 -4.756 1.00 43.31 H new ATOM 0 HA ILE A 820 -47.648 63.063 -4.672 1.00 23.21 H new ATOM 0 HB ILE A 820 -46.262 61.642 -6.982 1.00 71.15 H new ATOM 0 HG12 ILE A 820 -44.709 62.805 -5.524 1.00 3.25 H new ATOM 0 HG13 ILE A 820 -44.858 63.664 -7.045 1.00 3.25 H new ATOM 0 HG21 ILE A 820 -46.955 63.570 -8.350 1.00 2.04 H new ATOM 0 HG22 ILE A 820 -48.357 62.663 -7.736 1.00 2.04 H new ATOM 0 HG23 ILE A 820 -47.893 64.204 -6.977 1.00 2.04 H new ATOM 0 HD11 ILE A 820 -44.827 65.221 -5.158 1.00 45.43 H new ATOM 0 HD12 ILE A 820 -46.396 65.285 -5.994 1.00 45.43 H new ATOM 0 HD13 ILE A 820 -46.245 64.412 -4.450 1.00 45.43 H new ATOM 1185 N ALA A 821 -48.559 60.108 -5.764 1.00 74.24 N ATOM 1186 CA ALA A 821 -49.705 59.290 -6.141 1.00 73.43 C ATOM 1187 C ALA A 821 -50.547 58.929 -4.922 1.00 52.11 C ATOM 1188 O ALA A 821 -51.747 58.676 -5.036 1.00 65.42 O ATOM 1189 CB ALA A 821 -49.241 58.029 -6.856 1.00 54.23 C ATOM 0 H ALA A 821 -47.695 59.585 -5.623 1.00 74.24 H new ATOM 0 HA ALA A 821 -50.327 59.872 -6.821 1.00 73.43 H new ATOM 0 HB1 ALA A 821 -50.107 57.427 -7.132 1.00 54.23 H new ATOM 0 HB2 ALA A 821 -48.688 58.303 -7.755 1.00 54.23 H new ATOM 0 HB3 ALA A 821 -48.595 57.452 -6.194 1.00 54.23 H new ATOM 1195 N VAL A 822 -49.911 58.907 -3.755 1.00 13.20 N ATOM 1196 CA VAL A 822 -50.602 58.578 -2.514 1.00 72.10 C ATOM 1197 C VAL A 822 -51.242 59.816 -1.896 1.00 73.12 C ATOM 1198 O VAL A 822 -52.229 59.719 -1.167 1.00 61.31 O ATOM 1199 CB VAL A 822 -49.643 57.944 -1.489 1.00 73.51 C ATOM 1200 CG1 VAL A 822 -48.918 59.021 -0.698 1.00 10.32 C ATOM 1201 CG2 VAL A 822 -50.401 57.007 -0.560 1.00 2.01 C ATOM 0 H VAL A 822 -48.918 59.113 -3.643 1.00 13.20 H new ATOM 0 HA VAL A 822 -51.380 57.858 -2.767 1.00 72.10 H new ATOM 0 HB VAL A 822 -48.897 57.360 -2.028 1.00 73.51 H new ATOM 0 HG11 VAL A 822 -48.245 58.554 0.021 1.00 10.32 H new ATOM 0 HG12 VAL A 822 -48.343 59.648 -1.379 1.00 10.32 H new ATOM 0 HG13 VAL A 822 -49.646 59.635 -0.168 1.00 10.32 H new ATOM 0 HG21 VAL A 822 -49.708 56.568 0.158 1.00 2.01 H new ATOM 0 HG22 VAL A 822 -51.170 57.566 -0.027 1.00 2.01 H new ATOM 0 HG23 VAL A 822 -50.869 56.215 -1.145 1.00 2.01 H new ATOM 1211 N ALA A 823 -50.674 60.980 -2.193 1.00 71.15 N ATOM 1212 CA ALA A 823 -51.191 62.238 -1.669 1.00 42.14 C ATOM 1213 C ALA A 823 -52.548 62.571 -2.279 1.00 72.25 C ATOM 1214 O ALA A 823 -53.344 63.298 -1.685 1.00 61.55 O ATOM 1215 CB ALA A 823 -50.202 63.365 -1.931 1.00 70.51 C ATOM 0 H ALA A 823 -49.856 61.078 -2.794 1.00 71.15 H new ATOM 0 HA ALA A 823 -51.323 62.127 -0.593 1.00 42.14 H new ATOM 0 HB1 ALA A 823 -50.601 64.299 -1.534 1.00 70.51 H new ATOM 0 HB2 ALA A 823 -49.254 63.139 -1.442 1.00 70.51 H new ATOM 0 HB3 ALA A 823 -50.041 63.466 -3.004 1.00 70.51 H new ATOM 1243 N THR A 826 -57.440 59.911 -0.108 1.00 74.34 N ATOM 1244 CA THR A 826 -57.998 60.412 1.141 1.00 34.33 C ATOM 1245 C THR A 826 -57.338 59.747 2.344 1.00 50.22 C ATOM 1246 O THR A 826 -57.428 60.244 3.467 1.00 43.34 O ATOM 1247 CB THR A 826 -59.519 60.178 1.211 1.00 74.10 C ATOM 1248 OG1 THR A 826 -60.083 60.223 -0.105 1.00 2.03 O ATOM 1249 CG2 THR A 826 -60.188 61.224 2.091 1.00 62.35 C ATOM 0 HA THR A 826 -57.801 61.484 1.167 1.00 34.33 H new ATOM 0 HB THR A 826 -59.693 59.194 1.647 1.00 74.10 H new ATOM 0 HG1 THR A 826 -59.385 60.034 -0.767 1.00 2.03 H new ATOM 0 HG21 THR A 826 -61.261 61.038 2.125 1.00 62.35 H new ATOM 0 HG22 THR A 826 -59.778 61.167 3.099 1.00 62.35 H new ATOM 0 HG23 THR A 826 -60.005 62.217 1.680 1.00 62.35 H new ATOM 1257 N ASP A 827 -56.674 58.622 2.102 1.00 55.24 N ATOM 1258 CA ASP A 827 -55.997 57.890 3.165 1.00 3.14 C ATOM 1259 C ASP A 827 -54.982 58.780 3.876 1.00 12.25 C ATOM 1260 O ASP A 827 -54.809 58.692 5.092 1.00 22.11 O ATOM 1261 CB ASP A 827 -55.299 56.653 2.598 1.00 51.02 C ATOM 1262 CG ASP A 827 -54.869 55.683 3.681 1.00 74.24 C ATOM 1263 OD1 ASP A 827 -54.544 54.525 3.344 1.00 11.24 O ATOM 1264 OD2 ASP A 827 -54.859 56.081 4.865 1.00 73.15 O ATOM 0 H ASP A 827 -56.590 58.197 1.178 1.00 55.24 H new ATOM 0 HA ASP A 827 -56.748 57.574 3.889 1.00 3.14 H new ATOM 0 HB2 ASP A 827 -55.971 56.146 1.906 1.00 51.02 H new ATOM 0 HB3 ASP A 827 -54.426 56.963 2.025 1.00 51.02 H new ATOM 1269 N ARG A 828 -54.314 59.636 3.110 1.00 0.13 N ATOM 1270 CA ARG A 828 -53.315 60.541 3.667 1.00 60.53 C ATOM 1271 C ARG A 828 -53.958 61.534 4.631 1.00 65.34 C ATOM 1272 O ARG A 828 -53.612 61.581 5.811 1.00 0.42 O ATOM 1273 CB ARG A 828 -52.597 61.294 2.545 1.00 21.53 C ATOM 1274 CG ARG A 828 -51.420 60.533 1.957 1.00 22.42 C ATOM 1275 CD ARG A 828 -50.136 60.813 2.723 1.00 35.13 C ATOM 1276 NE ARG A 828 -49.187 59.708 2.623 1.00 21.23 N ATOM 1277 CZ ARG A 828 -47.894 59.821 2.908 1.00 14.41 C ATOM 1278 NH1 ARG A 828 -47.400 60.985 3.309 1.00 73.31 N ATOM 1279 NH2 ARG A 828 -47.093 58.770 2.793 1.00 74.13 N ATOM 0 H ARG A 828 -54.446 59.722 2.102 1.00 0.13 H new ATOM 0 HA ARG A 828 -52.588 59.945 4.219 1.00 60.53 H new ATOM 0 HB2 ARG A 828 -53.311 61.512 1.751 1.00 21.53 H new ATOM 0 HB3 ARG A 828 -52.245 62.251 2.929 1.00 21.53 H new ATOM 0 HG2 ARG A 828 -51.631 59.464 1.976 1.00 22.42 H new ATOM 0 HG3 ARG A 828 -51.290 60.813 0.912 1.00 22.42 H new ATOM 0 HD2 ARG A 828 -49.675 61.723 2.338 1.00 35.13 H new ATOM 0 HD3 ARG A 828 -50.372 60.995 3.772 1.00 35.13 H new ATOM 0 HE ARG A 828 -49.536 58.799 2.318 1.00 21.23 H new ATOM 0 HH11 ARG A 828 -48.013 61.795 3.399 1.00 73.31 H new ATOM 0 HH12 ARG A 828 -46.407 61.070 3.527 1.00 73.31 H new ATOM 0 HH21 ARG A 828 -47.469 57.873 2.485 1.00 74.13 H new ATOM 0 HH22 ARG A 828 -46.101 58.859 3.012 1.00 74.13 H new ATOM 1293 N VAL A 829 -54.894 62.326 4.119 1.00 72.13 N ATOM 1294 CA VAL A 829 -55.586 63.318 4.934 1.00 63.35 C ATOM 1295 C VAL A 829 -56.213 62.676 6.166 1.00 62.21 C ATOM 1296 O VAL A 829 -56.085 63.189 7.278 1.00 21.42 O ATOM 1297 CB VAL A 829 -56.683 64.039 4.129 1.00 74.42 C ATOM 1298 CG1 VAL A 829 -57.307 65.153 4.955 1.00 5.41 C ATOM 1299 CG2 VAL A 829 -56.118 64.582 2.825 1.00 10.14 C ATOM 0 H VAL A 829 -55.191 62.300 3.144 1.00 72.13 H new ATOM 0 HA VAL A 829 -54.839 64.047 5.248 1.00 63.35 H new ATOM 0 HB VAL A 829 -57.464 63.318 3.887 1.00 74.42 H new ATOM 0 HG11 VAL A 829 -58.080 65.651 4.369 1.00 5.41 H new ATOM 0 HG12 VAL A 829 -57.750 64.732 5.858 1.00 5.41 H new ATOM 0 HG13 VAL A 829 -56.539 65.875 5.231 1.00 5.41 H new ATOM 0 HG21 VAL A 829 -56.907 65.088 2.269 1.00 10.14 H new ATOM 0 HG22 VAL A 829 -55.317 65.288 3.042 1.00 10.14 H new ATOM 0 HG23 VAL A 829 -55.725 63.759 2.228 1.00 10.14 H new ATOM 1309 N ILE A 830 -56.890 61.551 5.961 1.00 52.44 N ATOM 1310 CA ILE A 830 -57.536 60.838 7.056 1.00 40.43 C ATOM 1311 C ILE A 830 -56.506 60.289 8.037 1.00 71.11 C ATOM 1312 O ILE A 830 -56.747 60.242 9.243 1.00 72.14 O ATOM 1313 CB ILE A 830 -58.405 59.677 6.537 1.00 44.32 C ATOM 1314 CG1 ILE A 830 -59.476 60.202 5.579 1.00 73.10 C ATOM 1315 CG2 ILE A 830 -59.044 58.933 7.700 1.00 51.53 C ATOM 1316 CD1 ILE A 830 -60.059 59.134 4.680 1.00 24.42 C ATOM 0 H ILE A 830 -57.005 61.114 5.047 1.00 52.44 H new ATOM 0 HA ILE A 830 -58.175 61.558 7.568 1.00 40.43 H new ATOM 0 HB ILE A 830 -57.768 58.980 5.992 1.00 44.32 H new ATOM 0 HG12 ILE A 830 -60.280 60.656 6.159 1.00 73.10 H new ATOM 0 HG13 ILE A 830 -59.045 60.990 4.961 1.00 73.10 H new ATOM 0 HG21 ILE A 830 -59.655 58.115 7.317 1.00 51.53 H new ATOM 0 HG22 ILE A 830 -58.264 58.531 8.347 1.00 51.53 H new ATOM 0 HG23 ILE A 830 -59.671 59.619 8.270 1.00 51.53 H new ATOM 0 HD11 ILE A 830 -60.811 59.578 4.028 1.00 24.42 H new ATOM 0 HD12 ILE A 830 -59.266 58.696 4.074 1.00 24.42 H new ATOM 0 HD13 ILE A 830 -60.520 58.357 5.290 1.00 24.42 H new ATOM 1328 N GLU A 831 -55.357 59.876 7.511 1.00 31.11 N ATOM 1329 CA GLU A 831 -54.290 59.331 8.342 1.00 61.42 C ATOM 1330 C GLU A 831 -53.761 60.385 9.310 1.00 14.00 C ATOM 1331 O GLU A 831 -53.645 60.139 10.511 1.00 73.03 O ATOM 1332 CB GLU A 831 -53.149 58.808 7.467 1.00 44.23 C ATOM 1333 CG GLU A 831 -51.924 58.377 8.257 1.00 53.04 C ATOM 1334 CD GLU A 831 -50.961 57.545 7.432 1.00 13.11 C ATOM 1335 OE1 GLU A 831 -49.754 57.543 7.751 1.00 12.44 O ATOM 1336 OE2 GLU A 831 -51.416 56.895 6.467 1.00 2.22 O ATOM 0 H GLU A 831 -55.142 59.908 6.515 1.00 31.11 H new ATOM 0 HA GLU A 831 -54.702 58.505 8.922 1.00 61.42 H new ATOM 0 HB2 GLU A 831 -53.510 57.962 6.882 1.00 44.23 H new ATOM 0 HB3 GLU A 831 -52.860 59.585 6.759 1.00 44.23 H new ATOM 0 HG2 GLU A 831 -51.407 59.261 8.630 1.00 53.04 H new ATOM 0 HG3 GLU A 831 -52.241 57.803 9.127 1.00 53.04 H new ATOM 1343 N VAL A 832 -53.442 61.561 8.779 1.00 62.24 N ATOM 1344 CA VAL A 832 -52.926 62.654 9.594 1.00 30.44 C ATOM 1345 C VAL A 832 -54.002 63.200 10.526 1.00 75.33 C ATOM 1346 O VAL A 832 -53.715 63.614 11.649 1.00 1.24 O ATOM 1347 CB VAL A 832 -52.389 63.802 8.720 1.00 62.14 C ATOM 1348 CG1 VAL A 832 -53.474 64.314 7.785 1.00 10.10 C ATOM 1349 CG2 VAL A 832 -51.849 64.926 9.590 1.00 2.51 C ATOM 0 H VAL A 832 -53.532 61.781 7.787 1.00 62.24 H new ATOM 0 HA VAL A 832 -52.108 62.246 10.187 1.00 30.44 H new ATOM 0 HB VAL A 832 -51.570 63.419 8.111 1.00 62.14 H new ATOM 0 HG11 VAL A 832 -53.076 65.125 7.175 1.00 10.10 H new ATOM 0 HG12 VAL A 832 -53.808 63.504 7.137 1.00 10.10 H new ATOM 0 HG13 VAL A 832 -54.316 64.681 8.371 1.00 10.10 H new ATOM 0 HG21 VAL A 832 -51.474 65.729 8.956 1.00 2.51 H new ATOM 0 HG22 VAL A 832 -52.647 65.309 10.226 1.00 2.51 H new ATOM 0 HG23 VAL A 832 -51.039 64.547 10.213 1.00 2.51 H new ATOM 1359 N LEU A 833 -55.244 63.197 10.052 1.00 65.10 N ATOM 1360 CA LEU A 833 -56.365 63.692 10.843 1.00 73.35 C ATOM 1361 C LEU A 833 -56.549 62.860 12.108 1.00 63.22 C ATOM 1362 O LEU A 833 -56.481 63.382 13.220 1.00 3.10 O ATOM 1363 CB LEU A 833 -57.650 63.668 10.012 1.00 22.12 C ATOM 1364 CG LEU A 833 -58.765 64.606 10.474 1.00 12.13 C ATOM 1365 CD1 LEU A 833 -58.279 66.047 10.489 1.00 51.14 C ATOM 1366 CD2 LEU A 833 -59.988 64.463 9.579 1.00 23.35 C ATOM 0 H LEU A 833 -55.499 62.857 9.125 1.00 65.10 H new ATOM 0 HA LEU A 833 -56.146 64.719 11.135 1.00 73.35 H new ATOM 0 HB2 LEU A 833 -57.397 63.917 8.981 1.00 22.12 H new ATOM 0 HB3 LEU A 833 -58.038 62.649 10.008 1.00 22.12 H new ATOM 0 HG LEU A 833 -59.048 64.329 11.490 1.00 12.13 H new ATOM 0 HD11 LEU A 833 -59.086 66.700 10.820 1.00 51.14 H new ATOM 0 HD12 LEU A 833 -57.434 66.139 11.172 1.00 51.14 H new ATOM 0 HD13 LEU A 833 -57.967 66.336 9.485 1.00 51.14 H new ATOM 0 HD21 LEU A 833 -60.772 65.138 9.923 1.00 23.35 H new ATOM 0 HD22 LEU A 833 -59.719 64.712 8.553 1.00 23.35 H new ATOM 0 HD23 LEU A 833 -60.351 63.436 9.620 1.00 23.35 H new ATOM 1378 N GLN A 834 -56.779 61.563 11.929 1.00 53.10 N ATOM 1379 CA GLN A 834 -56.971 60.659 13.057 1.00 42.11 C ATOM 1380 C GLN A 834 -55.720 60.602 13.927 1.00 4.12 C ATOM 1381 O GLN A 834 -55.804 60.627 15.155 1.00 40.43 O ATOM 1382 CB GLN A 834 -57.325 59.257 12.559 1.00 24.43 C ATOM 1383 CG GLN A 834 -56.277 58.657 11.635 1.00 32.32 C ATOM 1384 CD GLN A 834 -56.882 57.763 10.570 1.00 4.11 C ATOM 1385 OE1 GLN A 834 -58.054 57.901 10.220 1.00 50.02 O ATOM 1386 NE2 GLN A 834 -56.083 56.840 10.048 1.00 24.23 N ATOM 0 H GLN A 834 -56.837 61.115 11.014 1.00 53.10 H new ATOM 0 HA GLN A 834 -57.794 61.041 13.661 1.00 42.11 H new ATOM 0 HB2 GLN A 834 -57.460 58.599 13.417 1.00 24.43 H new ATOM 0 HB3 GLN A 834 -58.280 59.297 12.035 1.00 24.43 H new ATOM 0 HG2 GLN A 834 -55.718 59.460 11.155 1.00 32.32 H new ATOM 0 HG3 GLN A 834 -55.564 58.081 12.225 1.00 32.32 H new ATOM 0 HE21 GLN A 834 -55.118 56.761 10.368 1.00 24.23 H new ATOM 0 HE22 GLN A 834 -56.434 56.210 9.327 1.00 24.23 H new ATOM 1395 N ALA A 835 -54.560 60.525 13.283 1.00 22.41 N ATOM 1396 CA ALA A 835 -53.291 60.466 13.998 1.00 31.44 C ATOM 1397 C ALA A 835 -53.087 61.709 14.858 1.00 34.41 C ATOM 1398 O ALA A 835 -52.892 61.612 16.069 1.00 21.22 O ATOM 1399 CB ALA A 835 -52.139 60.305 13.018 1.00 51.34 C ATOM 0 H ALA A 835 -54.473 60.502 12.267 1.00 22.41 H new ATOM 0 HA ALA A 835 -53.315 59.599 14.658 1.00 31.44 H new ATOM 0 HB1 ALA A 835 -51.198 60.262 13.566 1.00 51.34 H new ATOM 0 HB2 ALA A 835 -52.270 59.384 12.450 1.00 51.34 H new ATOM 0 HB3 ALA A 835 -52.122 61.153 12.334 1.00 51.34 H new ATOM 1405 N ALA A 836 -53.134 62.875 14.224 1.00 44.35 N ATOM 1406 CA ALA A 836 -52.955 64.137 14.931 1.00 53.21 C ATOM 1407 C ALA A 836 -53.928 64.253 16.100 1.00 44.41 C ATOM 1408 O ALA A 836 -53.515 64.395 17.251 1.00 31.24 O ATOM 1409 CB ALA A 836 -53.134 65.308 13.975 1.00 24.23 C ATOM 0 H ALA A 836 -53.295 62.972 13.221 1.00 44.35 H new ATOM 0 HA ALA A 836 -51.941 64.161 15.331 1.00 53.21 H new ATOM 0 HB1 ALA A 836 -52.998 66.244 14.517 1.00 24.23 H new ATOM 0 HB2 ALA A 836 -52.397 65.241 13.175 1.00 24.23 H new ATOM 0 HB3 ALA A 836 -54.136 65.279 13.548 1.00 24.23 H new ATOM 1415 N TYR A 837 -55.219 64.194 15.797 1.00 75.41 N ATOM 1416 CA TYR A 837 -56.251 64.295 16.823 1.00 43.33 C ATOM 1417 C TYR A 837 -56.011 63.283 17.939 1.00 45.42 C ATOM 1418 O TYR A 837 -56.004 63.634 19.119 1.00 75.10 O ATOM 1419 CB TYR A 837 -57.634 64.075 16.208 1.00 11.14 C ATOM 1420 CG TYR A 837 -58.767 64.224 17.199 1.00 61.53 C ATOM 1421 CD1 TYR A 837 -59.933 63.480 17.067 1.00 31.01 C ATOM 1422 CD2 TYR A 837 -58.670 65.107 18.267 1.00 74.10 C ATOM 1423 CE1 TYR A 837 -60.971 63.613 17.969 1.00 2.01 C ATOM 1424 CE2 TYR A 837 -59.703 65.245 19.175 1.00 45.42 C ATOM 1425 CZ TYR A 837 -60.851 64.497 19.021 1.00 23.33 C ATOM 1426 OH TYR A 837 -61.882 64.631 19.923 1.00 44.11 O ATOM 0 H TYR A 837 -55.577 64.077 14.849 1.00 75.41 H new ATOM 0 HA TYR A 837 -56.206 65.297 17.250 1.00 43.33 H new ATOM 0 HB2 TYR A 837 -57.778 64.786 15.394 1.00 11.14 H new ATOM 0 HB3 TYR A 837 -57.674 63.077 15.771 1.00 11.14 H new ATOM 0 HD1 TYR A 837 -60.030 62.786 16.245 1.00 31.01 H new ATOM 0 HD2 TYR A 837 -57.773 65.695 18.390 1.00 74.10 H new ATOM 0 HE1 TYR A 837 -61.871 63.028 17.851 1.00 2.01 H new ATOM 0 HE2 TYR A 837 -59.611 65.935 20.001 1.00 45.42 H new ATOM 0 HH TYR A 837 -61.638 65.293 20.603 1.00 44.11 H new ATOM 1436 N ARG A 838 -55.812 62.026 17.556 1.00 13.21 N ATOM 1437 CA ARG A 838 -55.572 60.962 18.523 1.00 10.03 C ATOM 1438 C ARG A 838 -54.514 61.380 19.540 1.00 45.03 C ATOM 1439 O ARG A 838 -54.764 61.387 20.744 1.00 14.45 O ATOM 1440 CB ARG A 838 -55.131 59.684 17.808 1.00 61.20 C ATOM 1441 CG ARG A 838 -54.770 58.550 18.754 1.00 75.11 C ATOM 1442 CD ARG A 838 -54.630 57.229 18.013 1.00 53.52 C ATOM 1443 NE ARG A 838 -55.882 56.477 17.993 1.00 2.14 N ATOM 1444 CZ ARG A 838 -55.955 55.180 17.718 1.00 31.43 C ATOM 1445 NH1 ARG A 838 -54.855 54.494 17.441 1.00 4.14 N ATOM 1446 NH2 ARG A 838 -57.131 54.565 17.720 1.00 12.14 N ATOM 0 H ARG A 838 -55.812 61.720 16.583 1.00 13.21 H new ATOM 0 HA ARG A 838 -56.505 60.770 19.053 1.00 10.03 H new ATOM 0 HB2 ARG A 838 -55.932 59.353 17.147 1.00 61.20 H new ATOM 0 HB3 ARG A 838 -54.270 59.909 17.178 1.00 61.20 H new ATOM 0 HG2 ARG A 838 -53.835 58.783 19.263 1.00 75.11 H new ATOM 0 HG3 ARG A 838 -55.537 58.458 19.523 1.00 75.11 H new ATOM 0 HD2 ARG A 838 -54.305 57.420 16.990 1.00 53.52 H new ATOM 0 HD3 ARG A 838 -53.854 56.628 18.487 1.00 53.52 H new ATOM 0 HE ARG A 838 -56.747 56.975 18.202 1.00 2.14 H new ATOM 0 HH11 ARG A 838 -53.949 54.962 17.439 1.00 4.14 H new ATOM 0 HH12 ARG A 838 -54.915 53.498 17.230 1.00 4.14 H new ATOM 0 HH21 ARG A 838 -57.980 55.089 17.933 1.00 12.14 H new ATOM 0 HH22 ARG A 838 -57.186 53.569 17.509 1.00 12.14 H new ATOM 1460 N ALA A 839 -53.330 61.727 19.045 1.00 62.30 N ATOM 1461 CA ALA A 839 -52.234 62.147 19.909 1.00 0.14 C ATOM 1462 C ALA A 839 -52.671 63.271 20.842 1.00 0.44 C ATOM 1463 O ALA A 839 -52.667 63.114 22.064 1.00 64.04 O ATOM 1464 CB ALA A 839 -51.041 62.586 19.073 1.00 1.14 C ATOM 0 H ALA A 839 -53.106 61.725 18.050 1.00 62.30 H new ATOM 0 HA ALA A 839 -51.940 61.295 20.522 1.00 0.14 H new ATOM 0 HB1 ALA A 839 -50.230 62.897 19.731 1.00 1.14 H new ATOM 0 HB2 ALA A 839 -50.706 61.755 18.452 1.00 1.14 H new ATOM 0 HB3 ALA A 839 -51.331 63.421 18.435 1.00 1.14 H new ATOM 1470 N ILE A 840 -53.047 64.405 20.260 1.00 61.12 N ATOM 1471 CA ILE A 840 -53.487 65.555 21.040 1.00 61.20 C ATOM 1472 C ILE A 840 -54.575 65.161 22.033 1.00 10.41 C ATOM 1473 O ILE A 840 -54.754 65.812 23.063 1.00 32.30 O ATOM 1474 CB ILE A 840 -54.018 66.681 20.133 1.00 61.50 C ATOM 1475 CG1 ILE A 840 -52.857 67.398 19.441 1.00 11.55 C ATOM 1476 CG2 ILE A 840 -54.850 67.664 20.942 1.00 41.41 C ATOM 1477 CD1 ILE A 840 -53.244 68.050 18.132 1.00 65.30 C ATOM 0 H ILE A 840 -53.056 64.552 19.251 1.00 61.12 H new ATOM 0 HA ILE A 840 -52.616 65.919 21.584 1.00 61.20 H new ATOM 0 HB ILE A 840 -54.656 66.241 19.367 1.00 61.50 H new ATOM 0 HG12 ILE A 840 -52.458 68.158 20.112 1.00 11.55 H new ATOM 0 HG13 ILE A 840 -52.056 66.682 19.258 1.00 11.55 H new ATOM 0 HG21 ILE A 840 -55.218 68.454 20.287 1.00 41.41 H new ATOM 0 HG22 ILE A 840 -55.695 67.142 21.392 1.00 41.41 H new ATOM 0 HG23 ILE A 840 -54.234 68.102 21.728 1.00 41.41 H new ATOM 0 HD11 ILE A 840 -52.372 68.539 17.697 1.00 65.30 H new ATOM 0 HD12 ILE A 840 -53.615 67.291 17.443 1.00 65.30 H new ATOM 0 HD13 ILE A 840 -54.024 68.790 18.311 1.00 65.30 H new ATOM 1489 N ARG A 841 -55.298 64.092 21.717 1.00 31.15 N ATOM 1490 CA ARG A 841 -56.369 63.611 22.582 1.00 24.14 C ATOM 1491 C ARG A 841 -55.806 63.071 23.894 1.00 34.50 C ATOM 1492 O ARG A 841 -56.195 63.511 24.976 1.00 23.05 O ATOM 1493 CB ARG A 841 -57.175 62.521 21.874 1.00 53.45 C ATOM 1494 CG ARG A 841 -58.591 62.370 22.404 1.00 34.42 C ATOM 1495 CD ARG A 841 -59.538 63.370 21.759 1.00 32.34 C ATOM 1496 NE ARG A 841 -60.597 63.789 22.674 1.00 43.42 N ATOM 1497 CZ ARG A 841 -61.635 63.026 22.996 1.00 22.14 C ATOM 1498 NH1 ARG A 841 -61.753 61.810 22.482 1.00 63.32 N ATOM 1499 NH2 ARG A 841 -62.557 63.478 23.836 1.00 54.51 N ATOM 0 H ARG A 841 -55.162 63.542 20.869 1.00 31.15 H new ATOM 0 HA ARG A 841 -57.026 64.451 22.806 1.00 24.14 H new ATOM 0 HB2 ARG A 841 -57.217 62.746 20.808 1.00 53.45 H new ATOM 0 HB3 ARG A 841 -56.654 61.570 21.978 1.00 53.45 H new ATOM 0 HG2 ARG A 841 -58.946 61.357 22.214 1.00 34.42 H new ATOM 0 HG3 ARG A 841 -58.593 62.511 23.485 1.00 34.42 H new ATOM 0 HD2 ARG A 841 -58.975 64.244 21.432 1.00 32.34 H new ATOM 0 HD3 ARG A 841 -59.983 62.926 20.869 1.00 32.34 H new ATOM 0 HE ARG A 841 -60.536 64.719 23.088 1.00 43.42 H new ATOM 0 HH11 ARG A 841 -61.045 61.458 21.837 1.00 63.32 H new ATOM 0 HH12 ARG A 841 -62.551 61.226 22.731 1.00 63.32 H new ATOM 0 HH21 ARG A 841 -62.469 64.413 24.235 1.00 54.51 H new ATOM 0 HH22 ARG A 841 -63.354 62.891 24.083 1.00 54.51 H new ATOM 1513 N HIS A 842 -54.890 62.113 23.789 1.00 12.14 N ATOM 1514 CA HIS A 842 -54.274 61.512 24.967 1.00 13.32 C ATOM 1515 C HIS A 842 -53.005 62.263 25.359 1.00 61.51 C ATOM 1516 O HIS A 842 -52.258 61.823 26.233 1.00 24.23 O ATOM 1517 CB HIS A 842 -53.951 60.041 24.705 1.00 0.13 C ATOM 1518 CG HIS A 842 -52.930 59.835 23.629 1.00 21.42 C ATOM 1519 ND1 HIS A 842 -53.176 59.100 22.489 1.00 74.13 N ATOM 1520 CD2 HIS A 842 -51.654 60.273 23.524 1.00 43.32 C ATOM 1521 CE1 HIS A 842 -52.096 59.094 21.729 1.00 25.02 C ATOM 1522 NE2 HIS A 842 -51.157 59.799 22.334 1.00 11.45 N ATOM 0 H HIS A 842 -54.558 61.737 22.901 1.00 12.14 H new ATOM 0 HA HIS A 842 -54.983 61.578 25.792 1.00 13.32 H new ATOM 0 HB2 HIS A 842 -53.591 59.587 25.628 1.00 0.13 H new ATOM 0 HB3 HIS A 842 -54.868 59.520 24.429 1.00 0.13 H new ATOM 0 HD2 HIS A 842 -51.125 60.882 24.242 1.00 43.32 H new ATOM 0 HE1 HIS A 842 -51.997 58.597 20.775 1.00 25.02 H new ATOM 0 HE2 HIS A 842 -50.216 59.965 21.976 1.00 11.45 H new ATOM 1630 N ARG A 848 -55.476 73.066 19.752 1.00 72.50 N ATOM 1631 CA ARG A 848 -56.688 73.527 19.086 1.00 14.13 C ATOM 1632 C ARG A 848 -57.011 74.965 19.481 1.00 51.44 C ATOM 1633 O ARG A 848 -57.636 75.702 18.718 1.00 35.14 O ATOM 1634 CB ARG A 848 -57.866 72.615 19.435 1.00 70.02 C ATOM 1635 CG ARG A 848 -58.055 71.465 18.459 1.00 13.01 C ATOM 1636 CD ARG A 848 -57.256 70.241 18.878 1.00 4.42 C ATOM 1637 NE ARG A 848 -56.970 69.361 17.749 1.00 70.14 N ATOM 1638 CZ ARG A 848 -57.880 68.580 17.177 1.00 52.41 C ATOM 1639 NH1 ARG A 848 -59.127 68.572 17.626 1.00 35.45 N ATOM 1640 NH2 ARG A 848 -57.544 67.807 16.153 1.00 65.23 N ATOM 0 HA ARG A 848 -56.517 73.493 18.010 1.00 14.13 H new ATOM 0 HB2 ARG A 848 -57.717 72.210 20.436 1.00 70.02 H new ATOM 0 HB3 ARG A 848 -58.779 73.210 19.464 1.00 70.02 H new ATOM 0 HG2 ARG A 848 -59.112 71.207 18.399 1.00 13.01 H new ATOM 0 HG3 ARG A 848 -57.746 71.778 17.462 1.00 13.01 H new ATOM 0 HD2 ARG A 848 -56.319 70.559 19.336 1.00 4.42 H new ATOM 0 HD3 ARG A 848 -57.810 69.689 19.637 1.00 4.42 H new ATOM 0 HE ARG A 848 -56.020 69.345 17.379 1.00 70.14 H new ATOM 0 HH11 ARG A 848 -59.390 69.166 18.412 1.00 35.45 H new ATOM 0 HH12 ARG A 848 -59.824 67.972 17.185 1.00 35.45 H new ATOM 0 HH21 ARG A 848 -56.586 67.811 15.803 1.00 65.23 H new ATOM 0 HH22 ARG A 848 -58.244 67.208 15.715 1.00 65.23 H new ATOM 1654 N GLN A 849 -56.581 75.357 20.676 1.00 64.25 N ATOM 1655 CA GLN A 849 -56.825 76.706 21.171 1.00 51.22 C ATOM 1656 C GLN A 849 -56.374 77.749 20.154 1.00 40.42 C ATOM 1657 O GLN A 849 -57.157 78.601 19.734 1.00 24.20 O ATOM 1658 CB GLN A 849 -56.099 76.924 22.499 1.00 3.12 C ATOM 1659 CG GLN A 849 -56.920 76.526 23.714 1.00 34.25 C ATOM 1660 CD GLN A 849 -56.079 76.386 24.968 1.00 40.23 C ATOM 1661 OE1 GLN A 849 -54.849 76.395 24.908 1.00 51.32 O ATOM 1662 NE2 GLN A 849 -56.739 76.256 26.113 1.00 42.13 N ATOM 0 H GLN A 849 -56.062 74.759 21.319 1.00 64.25 H new ATOM 0 HA GLN A 849 -57.898 76.819 21.329 1.00 51.22 H new ATOM 0 HB2 GLN A 849 -55.171 76.352 22.494 1.00 3.12 H new ATOM 0 HB3 GLN A 849 -55.824 77.975 22.585 1.00 3.12 H new ATOM 0 HG2 GLN A 849 -57.696 77.272 23.883 1.00 34.25 H new ATOM 0 HG3 GLN A 849 -57.425 75.581 23.513 1.00 34.25 H new ATOM 0 HE21 GLN A 849 -57.759 76.254 26.116 1.00 42.13 H new ATOM 0 HE22 GLN A 849 -56.226 76.158 26.989 1.00 42.13 H new ATOM 1671 N GLY A 850 -55.105 77.677 19.762 1.00 75.12 N ATOM 1672 CA GLY A 850 -54.572 78.621 18.798 1.00 41.25 C ATOM 1673 C GLY A 850 -55.110 78.389 17.400 1.00 71.24 C ATOM 1674 O GLY A 850 -55.401 79.339 16.672 1.00 11.32 O ATOM 0 H GLY A 850 -54.437 76.982 20.095 1.00 75.12 H new ATOM 0 HA2 GLY A 850 -54.816 79.635 19.114 1.00 41.25 H new ATOM 0 HA3 GLY A 850 -53.485 78.545 18.783 1.00 41.25 H new ATOM 1678 N LEU A 851 -55.242 77.122 17.021 1.00 3.22 N ATOM 1679 CA LEU A 851 -55.747 76.767 15.700 1.00 52.24 C ATOM 1680 C LEU A 851 -57.105 77.413 15.445 1.00 74.24 C ATOM 1681 O LEU A 851 -57.354 77.951 14.366 1.00 33.14 O ATOM 1682 CB LEU A 851 -55.859 75.247 15.566 1.00 0.50 C ATOM 1683 CG LEU A 851 -55.802 74.693 14.142 1.00 32.22 C ATOM 1684 CD1 LEU A 851 -55.313 73.253 14.149 1.00 4.03 C ATOM 1685 CD2 LEU A 851 -57.167 74.791 13.477 1.00 73.41 C ATOM 0 H LEU A 851 -55.006 76.324 17.610 1.00 3.22 H new ATOM 0 HA LEU A 851 -55.042 77.140 14.957 1.00 52.24 H new ATOM 0 HB2 LEU A 851 -55.055 74.791 16.144 1.00 0.50 H new ATOM 0 HB3 LEU A 851 -56.798 74.930 16.020 1.00 0.50 H new ATOM 0 HG LEU A 851 -55.096 75.292 13.567 1.00 32.22 H new ATOM 0 HD11 LEU A 851 -55.279 72.875 13.127 1.00 4.03 H new ATOM 0 HD12 LEU A 851 -54.315 73.210 14.585 1.00 4.03 H new ATOM 0 HD13 LEU A 851 -55.994 72.640 14.740 1.00 4.03 H new ATOM 0 HD21 LEU A 851 -57.108 74.392 12.464 1.00 73.41 H new ATOM 0 HD22 LEU A 851 -57.894 74.216 14.051 1.00 73.41 H new ATOM 0 HD23 LEU A 851 -57.479 75.835 13.438 1.00 73.41 H new ATOM 1697 N GLU A 852 -57.979 77.356 16.445 1.00 10.40 N ATOM 1698 CA GLU A 852 -59.311 77.937 16.328 1.00 15.25 C ATOM 1699 C GLU A 852 -59.282 79.432 16.633 1.00 1.23 C ATOM 1700 O GLU A 852 -60.067 80.204 16.083 1.00 43.35 O ATOM 1701 CB GLU A 852 -60.284 77.232 17.276 1.00 73.45 C ATOM 1702 CG GLU A 852 -60.091 77.605 18.736 1.00 63.33 C ATOM 1703 CD GLU A 852 -60.887 76.719 19.675 1.00 41.35 C ATOM 1704 OE1 GLU A 852 -60.403 76.459 20.796 1.00 31.51 O ATOM 1705 OE2 GLU A 852 -61.993 76.287 19.288 1.00 1.13 O ATOM 0 H GLU A 852 -57.789 76.914 17.344 1.00 10.40 H new ATOM 0 HA GLU A 852 -59.650 77.799 15.301 1.00 15.25 H new ATOM 0 HB2 GLU A 852 -61.305 77.473 16.980 1.00 73.45 H new ATOM 0 HB3 GLU A 852 -60.167 76.154 17.167 1.00 73.45 H new ATOM 0 HG2 GLU A 852 -59.033 77.536 18.988 1.00 63.33 H new ATOM 0 HG3 GLU A 852 -60.387 78.643 18.884 1.00 63.33 H new ATOM 1712 N ARG A 853 -58.371 79.832 17.515 1.00 53.43 N ATOM 1713 CA ARG A 853 -58.240 81.234 17.895 1.00 70.23 C ATOM 1714 C ARG A 853 -57.910 82.098 16.681 1.00 24.50 C ATOM 1715 O ARG A 853 -58.406 83.217 16.550 1.00 30.20 O ATOM 1716 CB ARG A 853 -57.154 81.396 18.960 1.00 33.22 C ATOM 1717 CG ARG A 853 -56.865 82.844 19.320 1.00 73.00 C ATOM 1718 CD ARG A 853 -58.043 83.486 20.036 1.00 74.21 C ATOM 1719 NE ARG A 853 -57.811 84.901 20.311 1.00 15.22 N ATOM 1720 CZ ARG A 853 -57.879 85.851 19.385 1.00 62.23 C ATOM 1721 NH1 ARG A 853 -58.170 85.538 18.130 1.00 72.32 N ATOM 1722 NH2 ARG A 853 -57.655 87.117 19.713 1.00 21.21 N ATOM 0 H ARG A 853 -57.713 79.206 17.979 1.00 53.43 H new ATOM 0 HA ARG A 853 -59.194 81.564 18.305 1.00 70.23 H new ATOM 0 HB2 ARG A 853 -57.457 80.860 19.860 1.00 33.22 H new ATOM 0 HB3 ARG A 853 -56.236 80.929 18.604 1.00 33.22 H new ATOM 0 HG2 ARG A 853 -55.981 82.892 19.956 1.00 73.00 H new ATOM 0 HG3 ARG A 853 -56.638 83.407 18.415 1.00 73.00 H new ATOM 0 HD2 ARG A 853 -58.940 83.378 19.427 1.00 74.21 H new ATOM 0 HD3 ARG A 853 -58.228 82.960 20.973 1.00 74.21 H new ATOM 0 HE ARG A 853 -57.584 85.175 21.267 1.00 15.22 H new ATOM 0 HH11 ARG A 853 -58.342 84.566 17.874 1.00 72.32 H new ATOM 0 HH12 ARG A 853 -58.222 86.269 17.421 1.00 72.32 H new ATOM 0 HH21 ARG A 853 -57.430 87.362 20.677 1.00 21.21 H new ATOM 0 HH22 ARG A 853 -57.708 87.845 19.001 1.00 21.21 H new ATOM 1736 N ILE A 854 -57.069 81.570 15.797 1.00 1.44 N ATOM 1737 CA ILE A 854 -56.673 82.293 14.595 1.00 72.10 C ATOM 1738 C ILE A 854 -57.705 82.121 13.486 1.00 55.42 C ATOM 1739 O ILE A 854 -57.888 83.008 12.650 1.00 34.22 O ATOM 1740 CB ILE A 854 -55.300 81.821 14.081 1.00 74.23 C ATOM 1741 CG1 ILE A 854 -55.384 80.373 13.594 1.00 73.24 C ATOM 1742 CG2 ILE A 854 -54.250 81.958 15.173 1.00 41.14 C ATOM 1743 CD1 ILE A 854 -54.076 79.841 13.051 1.00 53.11 C ATOM 0 H ILE A 854 -56.649 80.645 15.891 1.00 1.44 H new ATOM 0 HA ILE A 854 -56.607 83.346 14.867 1.00 72.10 H new ATOM 0 HB ILE A 854 -55.007 82.451 13.241 1.00 74.23 H new ATOM 0 HG12 ILE A 854 -55.710 79.739 14.419 1.00 73.24 H new ATOM 0 HG13 ILE A 854 -56.146 80.303 12.817 1.00 73.24 H new ATOM 0 HG21 ILE A 854 -53.285 81.620 14.794 1.00 41.14 H new ATOM 0 HG22 ILE A 854 -54.175 83.002 15.477 1.00 41.14 H new ATOM 0 HG23 ILE A 854 -54.536 81.350 16.031 1.00 41.14 H new ATOM 0 HD11 ILE A 854 -54.210 78.810 12.724 1.00 53.11 H new ATOM 0 HD12 ILE A 854 -53.758 80.451 12.205 1.00 53.11 H new ATOM 0 HD13 ILE A 854 -53.316 79.878 13.831 1.00 53.11 H new ATOM 1755 N LEU A 855 -58.379 80.977 13.484 1.00 35.35 N ATOM 1756 CA LEU A 855 -59.396 80.689 12.479 1.00 72.42 C ATOM 1757 C LEU A 855 -60.541 81.693 12.559 1.00 52.33 C ATOM 1758 O LEU A 855 -60.795 82.438 11.611 1.00 0.42 O ATOM 1759 CB LEU A 855 -59.935 79.269 12.662 1.00 61.32 C ATOM 1760 CG LEU A 855 -60.165 78.468 11.380 1.00 73.22 C ATOM 1761 CD1 LEU A 855 -60.808 77.127 11.697 1.00 73.54 C ATOM 1762 CD2 LEU A 855 -61.027 79.257 10.405 1.00 0.43 C ATOM 0 H LEU A 855 -58.240 80.233 14.168 1.00 35.35 H new ATOM 0 HA LEU A 855 -58.933 80.772 11.496 1.00 72.42 H new ATOM 0 HB2 LEU A 855 -59.239 78.716 13.292 1.00 61.32 H new ATOM 0 HB3 LEU A 855 -60.879 79.327 13.205 1.00 61.32 H new ATOM 0 HG LEU A 855 -59.198 78.283 10.912 1.00 73.22 H new ATOM 0 HD11 LEU A 855 -60.964 76.571 10.773 1.00 73.54 H new ATOM 0 HD12 LEU A 855 -60.154 76.557 12.357 1.00 73.54 H new ATOM 0 HD13 LEU A 855 -61.767 77.290 12.188 1.00 73.54 H new ATOM 0 HD21 LEU A 855 -61.180 78.671 9.499 1.00 0.43 H new ATOM 0 HD22 LEU A 855 -61.991 79.473 10.865 1.00 0.43 H new ATOM 0 HD23 LEU A 855 -60.528 80.192 10.153 1.00 0.43 H new