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 179:sc= 0.496 USER MOD Set 1.2: A 867 THR OG1 : rot 63:sc= 0.851 USER MOD Single : A 772 THR OG1 : rot 87:sc= 1.22 USER MOD Single : A 775 THR OG1 : rot 75:sc= 1.09 USER MOD Single : A 776 GLN : amide:sc= -0.498 X(o=-0.5,f=-0.5) USER MOD Single : A 779 ASN : amide:sc= 0.59 K(o=0.59,f=0) USER MOD Single : A 802 THR OG1 : rot -119:sc= -0.385 USER MOD Single : A 804 THR OG1 : rot 180:sc= 0 USER MOD Single : A 807 THR OG1 : rot 83:sc= 1.27 USER MOD Single : A 809 THR OG1 : rot 180:sc= 0.0262 USER MOD Single : A 811 ASN : amide:sc=-0.00893 X(o=-0.0089,f=-0.23) USER MOD Single : A 814 SER OG : rot 72:sc= 0.704 USER MOD Single : A 815 SER OG : rot -159:sc= 1.24 USER MOD Single : A 816 MET CE :methyl -174:sc= -2.09 (180deg=-2.16) USER MOD Single : A 822 MET CE :methyl 154:sc= -0.189 (180deg=-1.24) USER MOD Single : A 825 GLN : amide:sc= -0.495 X(o=-0.5,f=-0.98) USER MOD Single : A 831 GLN : amide:sc= -0.17 X(o=-0.17,f=-0.17) USER MOD Single : A 834 SER OG : rot 93:sc= 1.23 USER MOD Single : A 838 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 841 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 858 SER OG : rot 180:sc= 0 USER MOD Single : A 861 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 869 LYS NZ :NH3+ -108:sc= 1.2 (180deg=-0.59) USER MOD Single : A 870 MET CE :methyl 153:sc= -2.38 (180deg=-5.07!) USER MOD Single : A 875 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 220 N GLY A 766 -12.206 -2.618 6.167 1.00 0.00 N ATOM 221 CA GLY A 766 -11.378 -3.196 5.129 1.00 0.00 C ATOM 222 C GLY A 766 -10.329 -2.233 4.622 1.00 0.00 C ATOM 223 O GLY A 766 -9.131 -2.461 4.798 1.00 0.00 O ATOM 0 HA2 GLY A 766 -10.889 -4.091 5.515 1.00 0.00 H new ATOM 0 HA3 GLY A 766 -12.009 -3.511 4.298 1.00 0.00 H new ATOM 227 N VAL A 767 -10.778 -1.145 4.007 1.00 0.00 N ATOM 228 CA VAL A 767 -9.871 -0.173 3.406 1.00 0.00 C ATOM 229 C VAL A 767 -8.989 0.479 4.461 1.00 0.00 C ATOM 230 O VAL A 767 -7.788 0.627 4.265 1.00 0.00 O ATOM 231 CB VAL A 767 -10.628 0.930 2.640 1.00 0.00 C ATOM 232 CG1 VAL A 767 -9.785 1.456 1.491 1.00 0.00 C ATOM 233 CG2 VAL A 767 -11.968 0.420 2.138 1.00 0.00 C ATOM 0 H VAL A 767 -11.767 -0.913 3.911 1.00 0.00 H new ATOM 0 HA VAL A 767 -9.252 -0.727 2.700 1.00 0.00 H new ATOM 0 HB VAL A 767 -10.819 1.753 3.329 1.00 0.00 H new ATOM 0 HG11 VAL A 767 -10.336 2.234 0.962 1.00 0.00 H new ATOM 0 HG12 VAL A 767 -8.856 1.871 1.882 1.00 0.00 H new ATOM 0 HG13 VAL A 767 -9.558 0.641 0.804 1.00 0.00 H new ATOM 0 HG21 VAL A 767 -12.483 1.217 1.601 1.00 0.00 H new ATOM 0 HG22 VAL A 767 -11.808 -0.425 1.468 1.00 0.00 H new ATOM 0 HG23 VAL A 767 -12.576 0.101 2.984 1.00 0.00 H new ATOM 243 N GLY A 768 -9.595 0.865 5.577 1.00 0.00 N ATOM 244 CA GLY A 768 -8.847 1.475 6.660 1.00 0.00 C ATOM 245 C GLY A 768 -7.711 0.596 7.145 1.00 0.00 C ATOM 246 O GLY A 768 -6.570 1.048 7.256 1.00 0.00 O ATOM 0 H GLY A 768 -10.595 0.766 5.752 1.00 0.00 H new ATOM 0 HA2 GLY A 768 -8.445 2.432 6.327 1.00 0.00 H new ATOM 0 HA3 GLY A 768 -9.521 1.684 7.491 1.00 0.00 H new ATOM 250 N ALA A 769 -8.017 -0.665 7.415 1.00 0.00 N ATOM 251 CA ALA A 769 -7.016 -1.611 7.887 1.00 0.00 C ATOM 252 C ALA A 769 -5.941 -1.844 6.830 1.00 0.00 C ATOM 253 O ALA A 769 -4.747 -1.840 7.133 1.00 0.00 O ATOM 254 CB ALA A 769 -7.674 -2.925 8.280 1.00 0.00 C ATOM 0 H ALA A 769 -8.953 -1.057 7.315 1.00 0.00 H new ATOM 0 HA ALA A 769 -6.534 -1.185 8.767 1.00 0.00 H new ATOM 0 HB1 ALA A 769 -6.913 -3.622 8.631 1.00 0.00 H new ATOM 0 HB2 ALA A 769 -8.397 -2.746 9.076 1.00 0.00 H new ATOM 0 HB3 ALA A 769 -8.184 -3.349 7.415 1.00 0.00 H new ATOM 260 N ALA A 770 -6.370 -2.032 5.587 1.00 0.00 N ATOM 261 CA ALA A 770 -5.445 -2.277 4.487 1.00 0.00 C ATOM 262 C ALA A 770 -4.540 -1.070 4.248 1.00 0.00 C ATOM 263 O ALA A 770 -3.336 -1.216 4.038 1.00 0.00 O ATOM 264 CB ALA A 770 -6.209 -2.628 3.220 1.00 0.00 C ATOM 0 H ALA A 770 -7.353 -2.019 5.316 1.00 0.00 H new ATOM 0 HA ALA A 770 -4.813 -3.122 4.760 1.00 0.00 H new ATOM 0 HB1 ALA A 770 -5.504 -2.808 2.408 1.00 0.00 H new ATOM 0 HB2 ALA A 770 -6.803 -3.526 3.390 1.00 0.00 H new ATOM 0 HB3 ALA A 770 -6.868 -1.802 2.952 1.00 0.00 H new ATOM 270 N ALA A 771 -5.126 0.120 4.295 1.00 0.00 N ATOM 271 CA ALA A 771 -4.381 1.354 4.092 1.00 0.00 C ATOM 272 C ALA A 771 -3.342 1.552 5.188 1.00 0.00 C ATOM 273 O ALA A 771 -2.203 1.942 4.920 1.00 0.00 O ATOM 274 CB ALA A 771 -5.332 2.539 4.037 1.00 0.00 C ATOM 0 H ALA A 771 -6.121 0.256 4.473 1.00 0.00 H new ATOM 0 HA ALA A 771 -3.855 1.283 3.140 1.00 0.00 H new ATOM 0 HB1 ALA A 771 -4.762 3.456 3.885 1.00 0.00 H new ATOM 0 HB2 ALA A 771 -6.032 2.406 3.212 1.00 0.00 H new ATOM 0 HB3 ALA A 771 -5.884 2.606 4.974 1.00 0.00 H new ATOM 280 N THR A 772 -3.732 1.271 6.426 1.00 0.00 N ATOM 281 CA THR A 772 -2.818 1.395 7.550 1.00 0.00 C ATOM 282 C THR A 772 -1.678 0.385 7.430 1.00 0.00 C ATOM 283 O THR A 772 -0.541 0.672 7.805 1.00 0.00 O ATOM 284 CB THR A 772 -3.547 1.206 8.895 1.00 0.00 C ATOM 285 OG1 THR A 772 -4.755 1.981 8.907 1.00 0.00 O ATOM 286 CG2 THR A 772 -2.660 1.630 10.058 1.00 0.00 C ATOM 0 H THR A 772 -4.670 0.958 6.674 1.00 0.00 H new ATOM 0 HA THR A 772 -2.406 2.404 7.526 1.00 0.00 H new ATOM 0 HB THR A 772 -3.787 0.149 9.008 1.00 0.00 H new ATOM 0 HG1 THR A 772 -5.484 1.457 8.515 1.00 0.00 H new ATOM 0 HG21 THR A 772 -3.197 1.487 10.996 1.00 0.00 H new ATOM 0 HG22 THR A 772 -1.753 1.025 10.063 1.00 0.00 H new ATOM 0 HG23 THR A 772 -2.394 2.681 9.948 1.00 0.00 H new ATOM 294 N ALA A 773 -1.983 -0.787 6.877 1.00 0.00 N ATOM 295 CA ALA A 773 -0.972 -1.812 6.642 1.00 0.00 C ATOM 296 C ALA A 773 0.119 -1.292 5.707 1.00 0.00 C ATOM 297 O ALA A 773 1.308 -1.512 5.943 1.00 0.00 O ATOM 298 CB ALA A 773 -1.614 -3.069 6.070 1.00 0.00 C ATOM 0 H ALA A 773 -2.924 -1.049 6.583 1.00 0.00 H new ATOM 0 HA ALA A 773 -0.509 -2.063 7.596 1.00 0.00 H new ATOM 0 HB1 ALA A 773 -0.847 -3.824 5.900 1.00 0.00 H new ATOM 0 HB2 ALA A 773 -2.352 -3.453 6.774 1.00 0.00 H new ATOM 0 HB3 ALA A 773 -2.103 -2.830 5.126 1.00 0.00 H new ATOM 304 N VAL A 774 -0.292 -0.592 4.654 1.00 0.00 N ATOM 305 CA VAL A 774 0.653 0.021 3.723 1.00 0.00 C ATOM 306 C VAL A 774 1.431 1.131 4.413 1.00 0.00 C ATOM 307 O VAL A 774 2.654 1.211 4.303 1.00 0.00 O ATOM 308 CB VAL A 774 -0.056 0.604 2.482 1.00 0.00 C ATOM 309 CG1 VAL A 774 0.957 1.104 1.462 1.00 0.00 C ATOM 310 CG2 VAL A 774 -0.972 -0.430 1.859 1.00 0.00 C ATOM 0 H VAL A 774 -1.273 -0.434 4.423 1.00 0.00 H new ATOM 0 HA VAL A 774 1.333 -0.766 3.395 1.00 0.00 H new ATOM 0 HB VAL A 774 -0.660 1.453 2.804 1.00 0.00 H new ATOM 0 HG11 VAL A 774 0.432 1.510 0.597 1.00 0.00 H new ATOM 0 HG12 VAL A 774 1.572 1.883 1.912 1.00 0.00 H new ATOM 0 HG13 VAL A 774 1.593 0.277 1.145 1.00 0.00 H new ATOM 0 HG21 VAL A 774 -1.463 -0.002 0.985 1.00 0.00 H new ATOM 0 HG22 VAL A 774 -0.387 -1.299 1.557 1.00 0.00 H new ATOM 0 HG23 VAL A 774 -1.725 -0.734 2.586 1.00 0.00 H new ATOM 320 N THR A 775 0.707 1.977 5.136 1.00 0.00 N ATOM 321 CA THR A 775 1.307 3.080 5.876 1.00 0.00 C ATOM 322 C THR A 775 2.381 2.575 6.845 1.00 0.00 C ATOM 323 O THR A 775 3.449 3.178 6.980 1.00 0.00 O ATOM 324 CB THR A 775 0.227 3.858 6.656 1.00 0.00 C ATOM 325 OG1 THR A 775 -0.863 4.190 5.782 1.00 0.00 O ATOM 326 CG2 THR A 775 0.795 5.131 7.267 1.00 0.00 C ATOM 0 H THR A 775 -0.307 1.918 5.226 1.00 0.00 H new ATOM 0 HA THR A 775 1.778 3.747 5.154 1.00 0.00 H new ATOM 0 HB THR A 775 -0.129 3.219 7.464 1.00 0.00 H new ATOM 0 HG1 THR A 775 -1.400 3.389 5.610 1.00 0.00 H new ATOM 0 HG21 THR A 775 0.009 5.656 7.810 1.00 0.00 H new ATOM 0 HG22 THR A 775 1.602 4.876 7.954 1.00 0.00 H new ATOM 0 HG23 THR A 775 1.181 5.774 6.476 1.00 0.00 H new ATOM 334 N GLN A 776 2.097 1.458 7.502 1.00 0.00 N ATOM 335 CA GLN A 776 3.030 0.867 8.448 1.00 0.00 C ATOM 336 C GLN A 776 4.195 0.196 7.724 1.00 0.00 C ATOM 337 O GLN A 776 5.346 0.331 8.136 1.00 0.00 O ATOM 338 CB GLN A 776 2.308 -0.141 9.340 1.00 0.00 C ATOM 339 CG GLN A 776 1.643 0.495 10.548 1.00 0.00 C ATOM 340 CD GLN A 776 2.588 1.391 11.325 1.00 0.00 C ATOM 341 OE1 GLN A 776 3.617 0.937 11.827 1.00 0.00 O ATOM 342 NE2 GLN A 776 2.249 2.665 11.426 1.00 0.00 N ATOM 0 H GLN A 776 1.223 0.942 7.395 1.00 0.00 H new ATOM 0 HA GLN A 776 3.435 1.665 9.071 1.00 0.00 H new ATOM 0 HB2 GLN A 776 1.553 -0.662 8.751 1.00 0.00 H new ATOM 0 HB3 GLN A 776 3.022 -0.892 9.680 1.00 0.00 H new ATOM 0 HG2 GLN A 776 0.782 1.077 10.220 1.00 0.00 H new ATOM 0 HG3 GLN A 776 1.266 -0.288 11.206 1.00 0.00 H new ATOM 0 HE21 GLN A 776 1.387 2.999 10.995 1.00 0.00 H new ATOM 0 HE22 GLN A 776 2.849 3.314 11.935 1.00 0.00 H new ATOM 351 N ALA A 777 3.891 -0.520 6.647 1.00 0.00 N ATOM 352 CA ALA A 777 4.917 -1.195 5.856 1.00 0.00 C ATOM 353 C ALA A 777 5.918 -0.193 5.291 1.00 0.00 C ATOM 354 O ALA A 777 7.131 -0.401 5.360 1.00 0.00 O ATOM 355 CB ALA A 777 4.279 -1.992 4.729 1.00 0.00 C ATOM 0 H ALA A 777 2.941 -0.649 6.300 1.00 0.00 H new ATOM 0 HA ALA A 777 5.453 -1.880 6.513 1.00 0.00 H new ATOM 0 HB1 ALA A 777 5.057 -2.489 4.149 1.00 0.00 H new ATOM 0 HB2 ALA A 777 3.605 -2.740 5.148 1.00 0.00 H new ATOM 0 HB3 ALA A 777 3.717 -1.320 4.081 1.00 0.00 H new ATOM 361 N LEU A 778 5.397 0.898 4.746 1.00 0.00 N ATOM 362 CA LEU A 778 6.229 1.954 4.190 1.00 0.00 C ATOM 363 C LEU A 778 7.099 2.583 5.273 1.00 0.00 C ATOM 364 O LEU A 778 8.267 2.895 5.043 1.00 0.00 O ATOM 365 CB LEU A 778 5.353 3.024 3.541 1.00 0.00 C ATOM 366 CG LEU A 778 6.084 3.964 2.589 1.00 0.00 C ATOM 367 CD1 LEU A 778 5.948 3.480 1.156 1.00 0.00 C ATOM 368 CD2 LEU A 778 5.551 5.380 2.732 1.00 0.00 C ATOM 0 H LEU A 778 4.395 1.074 4.677 1.00 0.00 H new ATOM 0 HA LEU A 778 6.880 1.516 3.434 1.00 0.00 H new ATOM 0 HB2 LEU A 778 4.548 2.532 2.995 1.00 0.00 H new ATOM 0 HB3 LEU A 778 4.888 3.618 4.328 1.00 0.00 H new ATOM 0 HG LEU A 778 7.143 3.968 2.848 1.00 0.00 H new ATOM 0 HD11 LEU A 778 6.476 4.163 0.490 1.00 0.00 H new ATOM 0 HD12 LEU A 778 6.377 2.482 1.067 1.00 0.00 H new ATOM 0 HD13 LEU A 778 4.894 3.448 0.881 1.00 0.00 H new ATOM 0 HD21 LEU A 778 6.082 6.040 2.046 1.00 0.00 H new ATOM 0 HD22 LEU A 778 4.487 5.394 2.497 1.00 0.00 H new ATOM 0 HD23 LEU A 778 5.701 5.724 3.755 1.00 0.00 H new ATOM 380 N ASN A 779 6.518 2.750 6.456 1.00 0.00 N ATOM 381 CA ASN A 779 7.229 3.326 7.592 1.00 0.00 C ATOM 382 C ASN A 779 8.445 2.474 7.946 1.00 0.00 C ATOM 383 O ASN A 779 9.517 2.995 8.261 1.00 0.00 O ATOM 384 CB ASN A 779 6.297 3.425 8.804 1.00 0.00 C ATOM 385 CG ASN A 779 5.900 4.854 9.117 1.00 0.00 C ATOM 386 OD1 ASN A 779 6.544 5.527 9.919 1.00 0.00 O ATOM 387 ND2 ASN A 779 4.825 5.321 8.499 1.00 0.00 N ATOM 0 H ASN A 779 5.551 2.493 6.654 1.00 0.00 H new ATOM 0 HA ASN A 779 7.566 4.326 7.317 1.00 0.00 H new ATOM 0 HB2 ASN A 779 5.400 2.835 8.617 1.00 0.00 H new ATOM 0 HB3 ASN A 779 6.790 2.990 9.673 1.00 0.00 H new ATOM 0 HD21 ASN A 779 4.504 6.272 8.682 1.00 0.00 H new ATOM 0 HD22 ASN A 779 4.318 4.730 7.840 1.00 0.00 H new ATOM 394 N GLU A 780 8.263 1.159 7.878 1.00 0.00 N ATOM 395 CA GLU A 780 9.329 0.208 8.177 1.00 0.00 C ATOM 396 C GLU A 780 10.463 0.324 7.168 1.00 0.00 C ATOM 397 O GLU A 780 11.628 0.467 7.535 1.00 0.00 O ATOM 398 CB GLU A 780 8.781 -1.220 8.153 1.00 0.00 C ATOM 399 CG GLU A 780 7.743 -1.493 9.227 1.00 0.00 C ATOM 400 CD GLU A 780 8.362 -1.894 10.548 1.00 0.00 C ATOM 401 OE1 GLU A 780 9.324 -2.694 10.545 1.00 0.00 O ATOM 402 OE2 GLU A 780 7.889 -1.418 11.600 1.00 0.00 O ATOM 0 H GLU A 780 7.378 0.724 7.616 1.00 0.00 H new ATOM 0 HA GLU A 780 9.715 0.439 9.170 1.00 0.00 H new ATOM 0 HB2 GLU A 780 8.339 -1.414 7.176 1.00 0.00 H new ATOM 0 HB3 GLU A 780 9.608 -1.919 8.273 1.00 0.00 H new ATOM 0 HG2 GLU A 780 7.133 -0.601 9.372 1.00 0.00 H new ATOM 0 HG3 GLU A 780 7.075 -2.285 8.888 1.00 0.00 H new ATOM 409 N LEU A 781 10.103 0.265 5.895 1.00 0.00 N ATOM 410 CA LEU A 781 11.078 0.285 4.815 1.00 0.00 C ATOM 411 C LEU A 781 11.841 1.603 4.778 1.00 0.00 C ATOM 412 O LEU A 781 13.051 1.614 4.569 1.00 0.00 O ATOM 413 CB LEU A 781 10.377 0.053 3.479 1.00 0.00 C ATOM 414 CG LEU A 781 11.286 0.085 2.254 1.00 0.00 C ATOM 415 CD1 LEU A 781 11.606 -1.329 1.794 1.00 0.00 C ATOM 416 CD2 LEU A 781 10.634 0.884 1.138 1.00 0.00 C ATOM 0 H LEU A 781 9.134 0.202 5.583 1.00 0.00 H new ATOM 0 HA LEU A 781 11.796 -0.515 4.995 1.00 0.00 H new ATOM 0 HB2 LEU A 781 9.875 -0.914 3.514 1.00 0.00 H new ATOM 0 HB3 LEU A 781 9.603 0.810 3.357 1.00 0.00 H new ATOM 0 HG LEU A 781 12.223 0.573 2.523 1.00 0.00 H new ATOM 0 HD11 LEU A 781 12.255 -1.289 0.919 1.00 0.00 H new ATOM 0 HD12 LEU A 781 12.111 -1.867 2.596 1.00 0.00 H new ATOM 0 HD13 LEU A 781 10.682 -1.846 1.536 1.00 0.00 H new ATOM 0 HD21 LEU A 781 11.292 0.900 0.269 1.00 0.00 H new ATOM 0 HD22 LEU A 781 9.685 0.422 0.866 1.00 0.00 H new ATOM 0 HD23 LEU A 781 10.456 1.905 1.477 1.00 0.00 H new ATOM 428 N LEU A 782 11.133 2.705 4.997 1.00 0.00 N ATOM 429 CA LEU A 782 11.730 4.035 4.913 1.00 0.00 C ATOM 430 C LEU A 782 12.949 4.165 5.820 1.00 0.00 C ATOM 431 O LEU A 782 14.042 4.498 5.357 1.00 0.00 O ATOM 432 CB LEU A 782 10.697 5.101 5.270 1.00 0.00 C ATOM 433 CG LEU A 782 10.099 5.838 4.073 1.00 0.00 C ATOM 434 CD1 LEU A 782 8.989 6.771 4.525 1.00 0.00 C ATOM 435 CD2 LEU A 782 11.182 6.604 3.326 1.00 0.00 C ATOM 0 H LEU A 782 10.141 2.705 5.235 1.00 0.00 H new ATOM 0 HA LEU A 782 12.062 4.183 3.885 1.00 0.00 H new ATOM 0 HB2 LEU A 782 9.889 4.631 5.830 1.00 0.00 H new ATOM 0 HB3 LEU A 782 11.162 5.831 5.933 1.00 0.00 H new ATOM 0 HG LEU A 782 9.669 5.104 3.391 1.00 0.00 H new ATOM 0 HD11 LEU A 782 8.574 7.288 3.660 1.00 0.00 H new ATOM 0 HD12 LEU A 782 8.204 6.193 5.013 1.00 0.00 H new ATOM 0 HD13 LEU A 782 9.391 7.502 5.226 1.00 0.00 H new ATOM 0 HD21 LEU A 782 10.740 7.124 2.476 1.00 0.00 H new ATOM 0 HD22 LEU A 782 11.642 7.330 3.996 1.00 0.00 H new ATOM 0 HD23 LEU A 782 11.941 5.907 2.970 1.00 0.00 H new ATOM 701 N ALA A 801 9.097 8.898 -3.754 1.00 0.00 N ATOM 702 CA ALA A 801 8.266 7.765 -4.125 1.00 0.00 C ATOM 703 C ALA A 801 7.438 7.293 -2.936 1.00 0.00 C ATOM 704 O ALA A 801 6.225 7.101 -3.048 1.00 0.00 O ATOM 705 CB ALA A 801 9.132 6.638 -4.664 1.00 0.00 C ATOM 0 HA ALA A 801 7.577 8.078 -4.909 1.00 0.00 H new ATOM 0 HB1 ALA A 801 8.500 5.793 -4.939 1.00 0.00 H new ATOM 0 HB2 ALA A 801 9.676 6.985 -5.542 1.00 0.00 H new ATOM 0 HB3 ALA A 801 9.841 6.326 -3.898 1.00 0.00 H new ATOM 711 N THR A 802 8.090 7.139 -1.789 1.00 0.00 N ATOM 712 CA THR A 802 7.409 6.721 -0.576 1.00 0.00 C ATOM 713 C THR A 802 6.383 7.767 -0.157 1.00 0.00 C ATOM 714 O THR A 802 5.275 7.433 0.266 1.00 0.00 O ATOM 715 CB THR A 802 8.405 6.487 0.574 1.00 0.00 C ATOM 716 OG1 THR A 802 9.398 7.517 0.576 1.00 0.00 O ATOM 717 CG2 THR A 802 9.083 5.131 0.436 1.00 0.00 C ATOM 0 H THR A 802 9.091 7.298 -1.677 1.00 0.00 H new ATOM 0 HA THR A 802 6.902 5.780 -0.790 1.00 0.00 H new ATOM 0 HB THR A 802 7.852 6.508 1.513 1.00 0.00 H new ATOM 0 HG1 THR A 802 10.283 7.118 0.443 1.00 0.00 H new ATOM 0 HG21 THR A 802 9.782 4.988 1.260 1.00 0.00 H new ATOM 0 HG22 THR A 802 8.330 4.344 0.459 1.00 0.00 H new ATOM 0 HG23 THR A 802 9.623 5.089 -0.510 1.00 0.00 H new ATOM 725 N ASP A 803 6.751 9.038 -0.300 1.00 0.00 N ATOM 726 CA ASP A 803 5.838 10.130 0.013 1.00 0.00 C ATOM 727 C ASP A 803 4.628 10.089 -0.905 1.00 0.00 C ATOM 728 O ASP A 803 3.503 10.290 -0.460 1.00 0.00 O ATOM 729 CB ASP A 803 6.523 11.490 -0.112 1.00 0.00 C ATOM 730 CG ASP A 803 5.645 12.615 0.402 1.00 0.00 C ATOM 731 OD1 ASP A 803 5.287 12.596 1.598 1.00 0.00 O ATOM 732 OD2 ASP A 803 5.304 13.524 -0.387 1.00 0.00 O ATOM 0 H ASP A 803 7.670 9.334 -0.629 1.00 0.00 H new ATOM 0 HA ASP A 803 5.518 9.999 1.047 1.00 0.00 H new ATOM 0 HB2 ASP A 803 7.460 11.477 0.445 1.00 0.00 H new ATOM 0 HB3 ASP A 803 6.776 11.675 -1.156 1.00 0.00 H new ATOM 737 N THR A 804 4.861 9.809 -2.184 1.00 0.00 N ATOM 738 CA THR A 804 3.773 9.679 -3.144 1.00 0.00 C ATOM 739 C THR A 804 2.815 8.572 -2.709 1.00 0.00 C ATOM 740 O THR A 804 1.600 8.755 -2.720 1.00 0.00 O ATOM 741 CB THR A 804 4.300 9.384 -4.565 1.00 0.00 C ATOM 742 OG1 THR A 804 5.315 10.337 -4.918 1.00 0.00 O ATOM 743 CG2 THR A 804 3.175 9.438 -5.588 1.00 0.00 C ATOM 0 H THR A 804 5.791 9.668 -2.578 1.00 0.00 H new ATOM 0 HA THR A 804 3.242 10.631 -3.171 1.00 0.00 H new ATOM 0 HB THR A 804 4.722 8.379 -4.567 1.00 0.00 H new ATOM 0 HG1 THR A 804 5.646 10.143 -5.820 1.00 0.00 H new ATOM 0 HG21 THR A 804 3.575 9.226 -6.580 1.00 0.00 H new ATOM 0 HG22 THR A 804 2.418 8.695 -5.336 1.00 0.00 H new ATOM 0 HG23 THR A 804 2.725 10.431 -5.582 1.00 0.00 H new ATOM 751 N ILE A 805 3.375 7.437 -2.295 1.00 0.00 N ATOM 752 CA ILE A 805 2.577 6.332 -1.768 1.00 0.00 C ATOM 753 C ILE A 805 1.765 6.792 -0.564 1.00 0.00 C ATOM 754 O ILE A 805 0.547 6.634 -0.532 1.00 0.00 O ATOM 755 CB ILE A 805 3.469 5.138 -1.358 1.00 0.00 C ATOM 756 CG1 ILE A 805 3.929 4.381 -2.599 1.00 0.00 C ATOM 757 CG2 ILE A 805 2.741 4.200 -0.401 1.00 0.00 C ATOM 758 CD1 ILE A 805 5.365 3.931 -2.516 1.00 0.00 C ATOM 0 H ILE A 805 4.379 7.258 -2.314 1.00 0.00 H new ATOM 0 HA ILE A 805 1.904 6.006 -2.561 1.00 0.00 H new ATOM 0 HB ILE A 805 4.341 5.531 -0.835 1.00 0.00 H new ATOM 0 HG12 ILE A 805 3.289 3.511 -2.745 1.00 0.00 H new ATOM 0 HG13 ILE A 805 3.804 5.019 -3.474 1.00 0.00 H new ATOM 0 HG21 ILE A 805 3.397 3.372 -0.133 1.00 0.00 H new ATOM 0 HG22 ILE A 805 2.460 4.746 0.500 1.00 0.00 H new ATOM 0 HG23 ILE A 805 1.845 3.811 -0.884 1.00 0.00 H new ATOM 0 HD11 ILE A 805 5.633 3.398 -3.429 1.00 0.00 H new ATOM 0 HD12 ILE A 805 6.013 4.800 -2.400 1.00 0.00 H new ATOM 0 HD13 ILE A 805 5.490 3.269 -1.659 1.00 0.00 H new ATOM 770 N LEU A 806 2.447 7.381 0.412 1.00 0.00 N ATOM 771 CA LEU A 806 1.789 7.883 1.613 1.00 0.00 C ATOM 772 C LEU A 806 0.691 8.881 1.263 1.00 0.00 C ATOM 773 O LEU A 806 -0.379 8.864 1.861 1.00 0.00 O ATOM 774 CB LEU A 806 2.800 8.531 2.561 1.00 0.00 C ATOM 775 CG LEU A 806 3.065 7.756 3.855 1.00 0.00 C ATOM 776 CD1 LEU A 806 3.820 8.620 4.851 1.00 0.00 C ATOM 777 CD2 LEU A 806 1.758 7.265 4.463 1.00 0.00 C ATOM 0 H LEU A 806 3.457 7.523 0.395 1.00 0.00 H new ATOM 0 HA LEU A 806 1.334 7.030 2.117 1.00 0.00 H new ATOM 0 HB2 LEU A 806 3.744 8.656 2.031 1.00 0.00 H new ATOM 0 HB3 LEU A 806 2.445 9.529 2.819 1.00 0.00 H new ATOM 0 HG LEU A 806 3.681 6.890 3.613 1.00 0.00 H new ATOM 0 HD11 LEU A 806 3.999 8.052 5.764 1.00 0.00 H new ATOM 0 HD12 LEU A 806 4.774 8.923 4.420 1.00 0.00 H new ATOM 0 HD13 LEU A 806 3.230 9.506 5.085 1.00 0.00 H new ATOM 0 HD21 LEU A 806 1.967 6.717 5.382 1.00 0.00 H new ATOM 0 HD22 LEU A 806 1.118 8.118 4.688 1.00 0.00 H new ATOM 0 HD23 LEU A 806 1.252 6.608 3.756 1.00 0.00 H new ATOM 789 N THR A 807 0.951 9.737 0.283 1.00 0.00 N ATOM 790 CA THR A 807 -0.045 10.701 -0.171 1.00 0.00 C ATOM 791 C THR A 807 -1.245 9.987 -0.793 1.00 0.00 C ATOM 792 O THR A 807 -2.378 10.438 -0.664 1.00 0.00 O ATOM 793 CB THR A 807 0.548 11.697 -1.192 1.00 0.00 C ATOM 794 OG1 THR A 807 1.787 12.230 -0.702 1.00 0.00 O ATOM 795 CG2 THR A 807 -0.416 12.843 -1.466 1.00 0.00 C ATOM 0 H THR A 807 1.841 9.784 -0.212 1.00 0.00 H new ATOM 0 HA THR A 807 -0.371 11.261 0.705 1.00 0.00 H new ATOM 0 HB THR A 807 0.722 11.155 -2.122 1.00 0.00 H new ATOM 0 HG1 THR A 807 2.514 11.604 -0.902 1.00 0.00 H new ATOM 0 HG21 THR A 807 0.029 13.528 -2.188 1.00 0.00 H new ATOM 0 HG22 THR A 807 -1.348 12.446 -1.868 1.00 0.00 H new ATOM 0 HG23 THR A 807 -0.620 13.377 -0.538 1.00 0.00 H new ATOM 803 N VAL A 808 -0.990 8.867 -1.457 1.00 0.00 N ATOM 804 CA VAL A 808 -2.052 8.089 -2.079 1.00 0.00 C ATOM 805 C VAL A 808 -2.903 7.382 -1.026 1.00 0.00 C ATOM 806 O VAL A 808 -4.128 7.475 -1.046 1.00 0.00 O ATOM 807 CB VAL A 808 -1.486 7.050 -3.068 1.00 0.00 C ATOM 808 CG1 VAL A 808 -2.563 6.065 -3.478 1.00 0.00 C ATOM 809 CG2 VAL A 808 -0.900 7.738 -4.289 1.00 0.00 C ATOM 0 H VAL A 808 -0.055 8.477 -1.578 1.00 0.00 H new ATOM 0 HA VAL A 808 -2.679 8.789 -2.631 1.00 0.00 H new ATOM 0 HB VAL A 808 -0.688 6.500 -2.569 1.00 0.00 H new ATOM 0 HG11 VAL A 808 -2.146 5.339 -4.176 1.00 0.00 H new ATOM 0 HG12 VAL A 808 -2.937 5.546 -2.595 1.00 0.00 H new ATOM 0 HG13 VAL A 808 -3.382 6.600 -3.958 1.00 0.00 H new ATOM 0 HG21 VAL A 808 -0.506 6.988 -4.975 1.00 0.00 H new ATOM 0 HG22 VAL A 808 -1.678 8.315 -4.790 1.00 0.00 H new ATOM 0 HG23 VAL A 808 -0.096 8.405 -3.980 1.00 0.00 H new ATOM 819 N THR A 809 -2.254 6.678 -0.110 1.00 0.00 N ATOM 820 CA THR A 809 -2.963 6.008 0.972 1.00 0.00 C ATOM 821 C THR A 809 -3.733 7.022 1.817 1.00 0.00 C ATOM 822 O THR A 809 -4.894 6.801 2.174 1.00 0.00 O ATOM 823 CB THR A 809 -1.991 5.210 1.862 1.00 0.00 C ATOM 824 OG1 THR A 809 -0.766 4.977 1.156 1.00 0.00 O ATOM 825 CG2 THR A 809 -2.598 3.880 2.262 1.00 0.00 C ATOM 0 H THR A 809 -1.241 6.556 -0.093 1.00 0.00 H new ATOM 0 HA THR A 809 -3.671 5.310 0.525 1.00 0.00 H new ATOM 0 HB THR A 809 -1.794 5.793 2.762 1.00 0.00 H new ATOM 0 HG1 THR A 809 -0.151 4.471 1.727 1.00 0.00 H new ATOM 0 HG21 THR A 809 -1.895 3.333 2.890 1.00 0.00 H new ATOM 0 HG22 THR A 809 -3.521 4.053 2.816 1.00 0.00 H new ATOM 0 HG23 THR A 809 -2.816 3.296 1.368 1.00 0.00 H new ATOM 833 N GLU A 810 -3.086 8.147 2.103 1.00 0.00 N ATOM 834 CA GLU A 810 -3.713 9.246 2.820 1.00 0.00 C ATOM 835 C GLU A 810 -4.883 9.812 2.008 1.00 0.00 C ATOM 836 O GLU A 810 -5.911 10.201 2.565 1.00 0.00 O ATOM 837 CB GLU A 810 -2.668 10.331 3.108 1.00 0.00 C ATOM 838 CG GLU A 810 -3.253 11.690 3.441 1.00 0.00 C ATOM 839 CD GLU A 810 -3.451 11.889 4.926 1.00 0.00 C ATOM 840 OE1 GLU A 810 -2.475 11.746 5.685 1.00 0.00 O ATOM 841 OE2 GLU A 810 -4.583 12.208 5.341 1.00 0.00 O ATOM 0 H GLU A 810 -2.115 8.320 1.844 1.00 0.00 H new ATOM 0 HA GLU A 810 -4.109 8.882 3.768 1.00 0.00 H new ATOM 0 HB2 GLU A 810 -2.042 10.005 3.939 1.00 0.00 H new ATOM 0 HB3 GLU A 810 -2.017 10.432 2.239 1.00 0.00 H new ATOM 0 HG2 GLU A 810 -2.594 12.469 3.058 1.00 0.00 H new ATOM 0 HG3 GLU A 810 -4.210 11.804 2.932 1.00 0.00 H new ATOM 848 N ASN A 811 -4.718 9.832 0.686 1.00 0.00 N ATOM 849 CA ASN A 811 -5.768 10.274 -0.230 1.00 0.00 C ATOM 850 C ASN A 811 -7.015 9.427 -0.049 1.00 0.00 C ATOM 851 O ASN A 811 -8.111 9.949 0.124 1.00 0.00 O ATOM 852 CB ASN A 811 -5.292 10.160 -1.680 1.00 0.00 C ATOM 853 CG ASN A 811 -5.304 11.479 -2.420 1.00 0.00 C ATOM 854 OD1 ASN A 811 -6.225 12.282 -2.279 1.00 0.00 O ATOM 855 ND2 ASN A 811 -4.279 11.705 -3.227 1.00 0.00 N ATOM 0 H ASN A 811 -3.857 9.544 0.222 1.00 0.00 H new ATOM 0 HA ASN A 811 -6.000 11.315 -0.005 1.00 0.00 H new ATOM 0 HB2 ASN A 811 -4.281 9.754 -1.692 1.00 0.00 H new ATOM 0 HB3 ASN A 811 -5.927 9.449 -2.209 1.00 0.00 H new ATOM 0 HD21 ASN A 811 -4.232 12.573 -3.761 1.00 0.00 H new ATOM 0 HD22 ASN A 811 -3.536 11.012 -3.314 1.00 0.00 H new ATOM 862 N ILE A 812 -6.833 8.112 -0.074 1.00 0.00 N ATOM 863 CA ILE A 812 -7.936 7.179 0.108 1.00 0.00 C ATOM 864 C ILE A 812 -8.609 7.408 1.461 1.00 0.00 C ATOM 865 O ILE A 812 -9.828 7.303 1.582 1.00 0.00 O ATOM 866 CB ILE A 812 -7.452 5.715 -0.003 1.00 0.00 C ATOM 867 CG1 ILE A 812 -7.133 5.375 -1.460 1.00 0.00 C ATOM 868 CG2 ILE A 812 -8.494 4.749 0.548 1.00 0.00 C ATOM 869 CD1 ILE A 812 -5.751 4.788 -1.661 1.00 0.00 C ATOM 0 H ILE A 812 -5.927 7.667 -0.219 1.00 0.00 H new ATOM 0 HA ILE A 812 -8.662 7.359 -0.685 1.00 0.00 H new ATOM 0 HB ILE A 812 -6.546 5.611 0.594 1.00 0.00 H new ATOM 0 HG12 ILE A 812 -7.876 4.668 -1.829 1.00 0.00 H new ATOM 0 HG13 ILE A 812 -7.225 6.278 -2.063 1.00 0.00 H new ATOM 0 HG21 ILE A 812 -8.127 3.727 0.457 1.00 0.00 H new ATOM 0 HG22 ILE A 812 -8.681 4.975 1.598 1.00 0.00 H new ATOM 0 HG23 ILE A 812 -9.421 4.853 -0.016 1.00 0.00 H new ATOM 0 HD11 ILE A 812 -5.597 4.573 -2.718 1.00 0.00 H new ATOM 0 HD12 ILE A 812 -5.000 5.502 -1.323 1.00 0.00 H new ATOM 0 HD13 ILE A 812 -5.660 3.866 -1.086 1.00 0.00 H new ATOM 881 N PHE A 813 -7.806 7.742 2.467 1.00 0.00 N ATOM 882 CA PHE A 813 -8.321 8.045 3.798 1.00 0.00 C ATOM 883 C PHE A 813 -9.207 9.291 3.764 1.00 0.00 C ATOM 884 O PHE A 813 -10.214 9.368 4.467 1.00 0.00 O ATOM 885 CB PHE A 813 -7.170 8.255 4.785 1.00 0.00 C ATOM 886 CG PHE A 813 -6.685 6.990 5.430 1.00 0.00 C ATOM 887 CD1 PHE A 813 -7.584 6.047 5.903 1.00 0.00 C ATOM 888 CD2 PHE A 813 -5.329 6.746 5.567 1.00 0.00 C ATOM 889 CE1 PHE A 813 -7.138 4.884 6.498 1.00 0.00 C ATOM 890 CE2 PHE A 813 -4.877 5.585 6.161 1.00 0.00 C ATOM 891 CZ PHE A 813 -5.784 4.652 6.627 1.00 0.00 C ATOM 0 H PHE A 813 -6.792 7.810 2.385 1.00 0.00 H new ATOM 0 HA PHE A 813 -8.920 7.196 4.128 1.00 0.00 H new ATOM 0 HB2 PHE A 813 -6.338 8.727 4.263 1.00 0.00 H new ATOM 0 HB3 PHE A 813 -7.493 8.947 5.563 1.00 0.00 H new ATOM 0 HD1 PHE A 813 -8.645 6.224 5.805 1.00 0.00 H new ATOM 0 HD2 PHE A 813 -4.617 7.473 5.205 1.00 0.00 H new ATOM 0 HE1 PHE A 813 -7.848 4.156 6.862 1.00 0.00 H new ATOM 0 HE2 PHE A 813 -3.817 5.406 6.261 1.00 0.00 H new ATOM 0 HZ PHE A 813 -5.433 3.742 7.092 1.00 0.00 H new ATOM 901 N SER A 814 -8.832 10.256 2.940 1.00 0.00 N ATOM 902 CA SER A 814 -9.594 11.489 2.808 1.00 0.00 C ATOM 903 C SER A 814 -10.834 11.275 1.933 1.00 0.00 C ATOM 904 O SER A 814 -11.909 11.813 2.211 1.00 0.00 O ATOM 905 CB SER A 814 -8.699 12.584 2.224 1.00 0.00 C ATOM 906 OG SER A 814 -7.455 12.638 2.906 1.00 0.00 O ATOM 0 H SER A 814 -8.001 10.209 2.350 1.00 0.00 H new ATOM 0 HA SER A 814 -9.937 11.799 3.795 1.00 0.00 H new ATOM 0 HB2 SER A 814 -8.529 12.394 1.164 1.00 0.00 H new ATOM 0 HB3 SER A 814 -9.201 13.548 2.299 1.00 0.00 H new ATOM 0 HG SER A 814 -6.915 11.856 2.665 1.00 0.00 H new ATOM 912 N SER A 815 -10.684 10.476 0.888 1.00 0.00 N ATOM 913 CA SER A 815 -11.783 10.184 -0.022 1.00 0.00 C ATOM 914 C SER A 815 -12.519 8.908 0.385 1.00 0.00 C ATOM 915 O SER A 815 -13.089 8.216 -0.458 1.00 0.00 O ATOM 916 CB SER A 815 -11.249 10.052 -1.450 1.00 0.00 C ATOM 917 OG SER A 815 -10.220 10.997 -1.692 1.00 0.00 O ATOM 0 H SER A 815 -9.806 10.015 0.647 1.00 0.00 H new ATOM 0 HA SER A 815 -12.494 11.008 0.026 1.00 0.00 H new ATOM 0 HB2 SER A 815 -10.867 9.043 -1.609 1.00 0.00 H new ATOM 0 HB3 SER A 815 -12.061 10.201 -2.162 1.00 0.00 H new ATOM 0 HG SER A 815 -10.122 11.134 -2.657 1.00 0.00 H new ATOM 923 N MET A 816 -12.503 8.609 1.681 1.00 0.00 N ATOM 924 CA MET A 816 -13.183 7.431 2.221 1.00 0.00 C ATOM 925 C MET A 816 -14.688 7.532 1.999 1.00 0.00 C ATOM 926 O MET A 816 -15.407 8.149 2.789 1.00 0.00 O ATOM 927 CB MET A 816 -12.893 7.295 3.719 1.00 0.00 C ATOM 928 CG MET A 816 -11.656 6.485 4.035 1.00 0.00 C ATOM 929 SD MET A 816 -12.036 4.871 4.738 1.00 0.00 S ATOM 930 CE MET A 816 -10.435 4.081 4.619 1.00 0.00 C ATOM 0 H MET A 816 -12.022 9.171 2.384 1.00 0.00 H new ATOM 0 HA MET A 816 -12.808 6.550 1.700 1.00 0.00 H new ATOM 0 HB2 MET A 816 -12.783 8.290 4.149 1.00 0.00 H new ATOM 0 HB3 MET A 816 -13.752 6.832 4.204 1.00 0.00 H new ATOM 0 HG2 MET A 816 -11.073 6.351 3.124 1.00 0.00 H new ATOM 0 HG3 MET A 816 -11.032 7.042 4.734 1.00 0.00 H new ATOM 0 HE1 MET A 816 -10.522 3.036 4.915 1.00 0.00 H new ATOM 0 HE2 MET A 816 -10.076 4.138 3.591 1.00 0.00 H new ATOM 0 HE3 MET A 816 -9.730 4.587 5.278 1.00 0.00 H new ATOM 940 N GLY A 817 -15.160 6.925 0.926 1.00 0.00 N ATOM 941 CA GLY A 817 -16.563 7.003 0.588 1.00 0.00 C ATOM 942 C GLY A 817 -16.772 7.199 -0.892 1.00 0.00 C ATOM 943 O GLY A 817 -17.859 6.953 -1.412 1.00 0.00 O ATOM 0 H GLY A 817 -14.594 6.376 0.279 1.00 0.00 H new ATOM 0 HA2 GLY A 817 -17.065 6.090 0.908 1.00 0.00 H new ATOM 0 HA3 GLY A 817 -17.023 7.828 1.132 1.00 0.00 H new ATOM 947 N ASP A 818 -15.729 7.650 -1.568 1.00 0.00 N ATOM 948 CA ASP A 818 -15.758 7.780 -3.015 1.00 0.00 C ATOM 949 C ASP A 818 -15.064 6.586 -3.641 1.00 0.00 C ATOM 950 O ASP A 818 -13.855 6.608 -3.865 1.00 0.00 O ATOM 951 CB ASP A 818 -15.087 9.076 -3.470 1.00 0.00 C ATOM 952 CG ASP A 818 -15.488 9.464 -4.881 1.00 0.00 C ATOM 953 OD1 ASP A 818 -15.223 8.684 -5.826 1.00 0.00 O ATOM 954 OD2 ASP A 818 -16.072 10.555 -5.054 1.00 0.00 O ATOM 0 H ASP A 818 -14.849 7.933 -1.137 1.00 0.00 H new ATOM 0 HA ASP A 818 -16.798 7.813 -3.339 1.00 0.00 H new ATOM 0 HB2 ASP A 818 -15.352 9.881 -2.784 1.00 0.00 H new ATOM 0 HB3 ASP A 818 -14.004 8.959 -3.421 1.00 0.00 H new ATOM 959 N ALA A 819 -15.842 5.545 -3.910 1.00 0.00 N ATOM 960 CA ALA A 819 -15.312 4.284 -4.412 1.00 0.00 C ATOM 961 C ALA A 819 -14.479 4.485 -5.673 1.00 0.00 C ATOM 962 O ALA A 819 -13.399 3.914 -5.807 1.00 0.00 O ATOM 963 CB ALA A 819 -16.450 3.312 -4.676 1.00 0.00 C ATOM 0 H ALA A 819 -16.855 5.551 -3.787 1.00 0.00 H new ATOM 0 HA ALA A 819 -14.654 3.868 -3.649 1.00 0.00 H new ATOM 0 HB1 ALA A 819 -16.046 2.372 -5.051 1.00 0.00 H new ATOM 0 HB2 ALA A 819 -16.995 3.129 -3.750 1.00 0.00 H new ATOM 0 HB3 ALA A 819 -17.127 3.737 -5.417 1.00 0.00 H new ATOM 969 N GLY A 820 -14.974 5.322 -6.577 1.00 0.00 N ATOM 970 CA GLY A 820 -14.284 5.559 -7.829 1.00 0.00 C ATOM 971 C GLY A 820 -12.931 6.212 -7.626 1.00 0.00 C ATOM 972 O GLY A 820 -11.918 5.735 -8.145 1.00 0.00 O ATOM 0 H GLY A 820 -15.844 5.842 -6.464 1.00 0.00 H new ATOM 0 HA2 GLY A 820 -14.153 4.613 -8.354 1.00 0.00 H new ATOM 0 HA3 GLY A 820 -14.900 6.194 -8.466 1.00 0.00 H new ATOM 976 N GLU A 821 -12.909 7.296 -6.857 1.00 0.00 N ATOM 977 CA GLU A 821 -11.668 8.002 -6.576 1.00 0.00 C ATOM 978 C GLU A 821 -10.719 7.118 -5.778 1.00 0.00 C ATOM 979 O GLU A 821 -9.505 7.140 -5.991 1.00 0.00 O ATOM 980 CB GLU A 821 -11.944 9.295 -5.809 1.00 0.00 C ATOM 981 CG GLU A 821 -10.743 10.222 -5.739 1.00 0.00 C ATOM 982 CD GLU A 821 -11.054 11.528 -5.042 1.00 0.00 C ATOM 983 OE1 GLU A 821 -12.076 12.161 -5.375 1.00 0.00 O ATOM 984 OE2 GLU A 821 -10.273 11.929 -4.155 1.00 0.00 O ATOM 0 H GLU A 821 -13.736 7.703 -6.419 1.00 0.00 H new ATOM 0 HA GLU A 821 -11.199 8.253 -7.528 1.00 0.00 H new ATOM 0 HB2 GLU A 821 -12.772 9.821 -6.284 1.00 0.00 H new ATOM 0 HB3 GLU A 821 -12.262 9.047 -4.796 1.00 0.00 H new ATOM 0 HG2 GLU A 821 -9.931 9.719 -5.214 1.00 0.00 H new ATOM 0 HG3 GLU A 821 -10.390 10.429 -6.749 1.00 0.00 H new ATOM 991 N MET A 822 -11.283 6.337 -4.865 1.00 0.00 N ATOM 992 CA MET A 822 -10.503 5.423 -4.042 1.00 0.00 C ATOM 993 C MET A 822 -9.825 4.370 -4.908 1.00 0.00 C ATOM 994 O MET A 822 -8.627 4.128 -4.773 1.00 0.00 O ATOM 995 CB MET A 822 -11.394 4.739 -3.008 1.00 0.00 C ATOM 996 CG MET A 822 -11.591 5.548 -1.737 1.00 0.00 C ATOM 997 SD MET A 822 -13.019 4.997 -0.785 1.00 0.00 S ATOM 998 CE MET A 822 -12.715 3.233 -0.721 1.00 0.00 C ATOM 0 H MET A 822 -12.285 6.319 -4.676 1.00 0.00 H new ATOM 0 HA MET A 822 -9.739 6.003 -3.524 1.00 0.00 H new ATOM 0 HB2 MET A 822 -12.368 4.540 -3.456 1.00 0.00 H new ATOM 0 HB3 MET A 822 -10.959 3.774 -2.749 1.00 0.00 H new ATOM 0 HG2 MET A 822 -10.696 5.473 -1.120 1.00 0.00 H new ATOM 0 HG3 MET A 822 -11.714 6.600 -1.995 1.00 0.00 H new ATOM 0 HE1 MET A 822 -13.194 2.813 0.164 1.00 0.00 H new ATOM 0 HE2 MET A 822 -13.124 2.761 -1.614 1.00 0.00 H new ATOM 0 HE3 MET A 822 -11.641 3.050 -0.674 1.00 0.00 H new ATOM 1008 N VAL A 823 -10.599 3.754 -5.797 1.00 0.00 N ATOM 1009 CA VAL A 823 -10.069 2.754 -6.718 1.00 0.00 C ATOM 1010 C VAL A 823 -8.973 3.362 -7.589 1.00 0.00 C ATOM 1011 O VAL A 823 -7.904 2.774 -7.756 1.00 0.00 O ATOM 1012 CB VAL A 823 -11.184 2.164 -7.616 1.00 0.00 C ATOM 1013 CG1 VAL A 823 -10.599 1.413 -8.805 1.00 0.00 C ATOM 1014 CG2 VAL A 823 -12.089 1.246 -6.808 1.00 0.00 C ATOM 0 H VAL A 823 -11.598 3.931 -5.899 1.00 0.00 H new ATOM 0 HA VAL A 823 -9.649 1.945 -6.120 1.00 0.00 H new ATOM 0 HB VAL A 823 -11.776 2.995 -8.000 1.00 0.00 H new ATOM 0 HG11 VAL A 823 -11.408 1.011 -9.415 1.00 0.00 H new ATOM 0 HG12 VAL A 823 -9.996 2.095 -9.405 1.00 0.00 H new ATOM 0 HG13 VAL A 823 -9.974 0.595 -8.447 1.00 0.00 H new ATOM 0 HG21 VAL A 823 -12.867 0.840 -7.455 1.00 0.00 H new ATOM 0 HG22 VAL A 823 -11.500 0.429 -6.392 1.00 0.00 H new ATOM 0 HG23 VAL A 823 -12.549 1.811 -5.997 1.00 0.00 H new ATOM 1024 N ARG A 824 -9.241 4.549 -8.123 1.00 0.00 N ATOM 1025 CA ARG A 824 -8.270 5.256 -8.946 1.00 0.00 C ATOM 1026 C ARG A 824 -6.994 5.527 -8.156 1.00 0.00 C ATOM 1027 O ARG A 824 -5.892 5.264 -8.637 1.00 0.00 O ATOM 1028 CB ARG A 824 -8.861 6.569 -9.457 1.00 0.00 C ATOM 1029 CG ARG A 824 -8.346 6.970 -10.828 1.00 0.00 C ATOM 1030 CD ARG A 824 -7.905 8.424 -10.850 1.00 0.00 C ATOM 1031 NE ARG A 824 -6.785 8.650 -11.764 1.00 0.00 N ATOM 1032 CZ ARG A 824 -6.479 9.837 -12.284 1.00 0.00 C ATOM 1033 NH1 ARG A 824 -7.189 10.912 -11.961 1.00 0.00 N ATOM 1034 NH2 ARG A 824 -5.452 9.946 -13.119 1.00 0.00 N ATOM 0 H ARG A 824 -10.126 5.042 -7.999 1.00 0.00 H new ATOM 0 HA ARG A 824 -8.022 4.627 -9.801 1.00 0.00 H new ATOM 0 HB2 ARG A 824 -9.947 6.479 -9.497 1.00 0.00 H new ATOM 0 HB3 ARG A 824 -8.633 7.363 -8.745 1.00 0.00 H new ATOM 0 HG2 ARG A 824 -7.509 6.330 -11.106 1.00 0.00 H new ATOM 0 HG3 ARG A 824 -9.127 6.814 -11.572 1.00 0.00 H new ATOM 0 HD2 ARG A 824 -8.745 9.052 -11.146 1.00 0.00 H new ATOM 0 HD3 ARG A 824 -7.618 8.730 -9.844 1.00 0.00 H new ATOM 0 HE ARG A 824 -6.204 7.851 -12.018 1.00 0.00 H new ATOM 0 HH11 ARG A 824 -7.972 10.830 -11.312 1.00 0.00 H new ATOM 0 HH12 ARG A 824 -6.951 11.819 -12.362 1.00 0.00 H new ATOM 0 HH21 ARG A 824 -4.901 9.122 -13.360 1.00 0.00 H new ATOM 0 HH22 ARG A 824 -5.214 10.854 -13.519 1.00 0.00 H new ATOM 1048 N GLN A 825 -7.152 6.032 -6.937 1.00 0.00 N ATOM 1049 CA GLN A 825 -6.014 6.319 -6.070 1.00 0.00 C ATOM 1050 C GLN A 825 -5.242 5.036 -5.776 1.00 0.00 C ATOM 1051 O GLN A 825 -4.021 4.999 -5.886 1.00 0.00 O ATOM 1052 CB GLN A 825 -6.479 6.953 -4.754 1.00 0.00 C ATOM 1053 CG GLN A 825 -6.629 8.473 -4.779 1.00 0.00 C ATOM 1054 CD GLN A 825 -6.269 9.115 -6.102 1.00 0.00 C ATOM 1055 OE1 GLN A 825 -5.156 9.610 -6.279 1.00 0.00 O ATOM 1056 NE2 GLN A 825 -7.213 9.139 -7.027 1.00 0.00 N ATOM 0 H GLN A 825 -8.059 6.252 -6.526 1.00 0.00 H new ATOM 0 HA GLN A 825 -5.362 7.024 -6.586 1.00 0.00 H new ATOM 0 HB2 GLN A 825 -7.438 6.514 -4.477 1.00 0.00 H new ATOM 0 HB3 GLN A 825 -5.769 6.687 -3.971 1.00 0.00 H new ATOM 0 HG2 GLN A 825 -7.660 8.728 -4.534 1.00 0.00 H new ATOM 0 HG3 GLN A 825 -6.000 8.901 -3.998 1.00 0.00 H new ATOM 0 HE21 GLN A 825 -8.122 8.717 -6.839 1.00 0.00 H new ATOM 0 HE22 GLN A 825 -7.032 9.580 -7.929 1.00 0.00 H new ATOM 1065 N ALA A 826 -5.969 3.982 -5.422 1.00 0.00 N ATOM 1066 CA ALA A 826 -5.362 2.695 -5.099 1.00 0.00 C ATOM 1067 C ALA A 826 -4.575 2.138 -6.284 1.00 0.00 C ATOM 1068 O ALA A 826 -3.575 1.442 -6.107 1.00 0.00 O ATOM 1069 CB ALA A 826 -6.429 1.705 -4.655 1.00 0.00 C ATOM 0 H ALA A 826 -6.986 3.994 -5.351 1.00 0.00 H new ATOM 0 HA ALA A 826 -4.662 2.850 -4.278 1.00 0.00 H new ATOM 0 HB1 ALA A 826 -5.962 0.749 -4.417 1.00 0.00 H new ATOM 0 HB2 ALA A 826 -6.938 2.090 -3.771 1.00 0.00 H new ATOM 0 HB3 ALA A 826 -7.153 1.565 -5.458 1.00 0.00 H new ATOM 1075 N ARG A 827 -5.025 2.453 -7.491 1.00 0.00 N ATOM 1076 CA ARG A 827 -4.332 2.025 -8.699 1.00 0.00 C ATOM 1077 C ARG A 827 -3.028 2.799 -8.865 1.00 0.00 C ATOM 1078 O ARG A 827 -2.028 2.259 -9.345 1.00 0.00 O ATOM 1079 CB ARG A 827 -5.226 2.210 -9.922 1.00 0.00 C ATOM 1080 CG ARG A 827 -6.322 1.166 -10.022 1.00 0.00 C ATOM 1081 CD ARG A 827 -7.289 1.484 -11.145 1.00 0.00 C ATOM 1082 NE ARG A 827 -7.194 0.514 -12.230 1.00 0.00 N ATOM 1083 CZ ARG A 827 -8.091 0.388 -13.203 1.00 0.00 C ATOM 1084 NH1 ARG A 827 -9.144 1.194 -13.254 1.00 0.00 N ATOM 1085 NH2 ARG A 827 -7.915 -0.537 -14.134 1.00 0.00 N ATOM 0 H ARG A 827 -5.867 3.003 -7.660 1.00 0.00 H new ATOM 0 HA ARG A 827 -4.095 0.965 -8.606 1.00 0.00 H new ATOM 0 HB2 ARG A 827 -5.679 3.201 -9.887 1.00 0.00 H new ATOM 0 HB3 ARG A 827 -4.613 2.171 -10.822 1.00 0.00 H new ATOM 0 HG2 ARG A 827 -5.878 0.185 -10.190 1.00 0.00 H new ATOM 0 HG3 ARG A 827 -6.864 1.113 -9.078 1.00 0.00 H new ATOM 0 HD2 ARG A 827 -8.307 1.496 -10.756 1.00 0.00 H new ATOM 0 HD3 ARG A 827 -7.083 2.483 -11.531 1.00 0.00 H new ATOM 0 HE ARG A 827 -6.386 -0.109 -12.243 1.00 0.00 H new ATOM 0 HH11 ARG A 827 -9.269 1.916 -12.544 1.00 0.00 H new ATOM 0 HH12 ARG A 827 -9.829 1.092 -14.003 1.00 0.00 H new ATOM 0 HH21 ARG A 827 -7.097 -1.145 -14.101 1.00 0.00 H new ATOM 0 HH22 ARG A 827 -8.598 -0.641 -14.885 1.00 0.00 H new ATOM 1099 N ILE A 828 -3.048 4.064 -8.461 1.00 0.00 N ATOM 1100 CA ILE A 828 -1.842 4.882 -8.427 1.00 0.00 C ATOM 1101 C ILE A 828 -0.877 4.320 -7.385 1.00 0.00 C ATOM 1102 O ILE A 828 0.334 4.249 -7.607 1.00 0.00 O ATOM 1103 CB ILE A 828 -2.178 6.356 -8.091 1.00 0.00 C ATOM 1104 CG1 ILE A 828 -3.029 6.972 -9.201 1.00 0.00 C ATOM 1105 CG2 ILE A 828 -0.914 7.176 -7.880 1.00 0.00 C ATOM 1106 CD1 ILE A 828 -4.115 7.895 -8.693 1.00 0.00 C ATOM 0 H ILE A 828 -3.891 4.547 -8.151 1.00 0.00 H new ATOM 0 HA ILE A 828 -1.378 4.857 -9.413 1.00 0.00 H new ATOM 0 HB ILE A 828 -2.746 6.367 -7.161 1.00 0.00 H new ATOM 0 HG12 ILE A 828 -2.380 7.527 -9.879 1.00 0.00 H new ATOM 0 HG13 ILE A 828 -3.487 6.172 -9.782 1.00 0.00 H new ATOM 0 HG21 ILE A 828 -1.183 8.206 -7.646 1.00 0.00 H new ATOM 0 HG22 ILE A 828 -0.340 6.754 -7.055 1.00 0.00 H new ATOM 0 HG23 ILE A 828 -0.312 7.156 -8.788 1.00 0.00 H new ATOM 0 HD11 ILE A 828 -4.677 8.294 -9.537 1.00 0.00 H new ATOM 0 HD12 ILE A 828 -4.787 7.340 -8.039 1.00 0.00 H new ATOM 0 HD13 ILE A 828 -3.664 8.716 -8.137 1.00 0.00 H new ATOM 1118 N LEU A 829 -1.442 3.903 -6.254 1.00 0.00 N ATOM 1119 CA LEU A 829 -0.683 3.258 -5.188 1.00 0.00 C ATOM 1120 C LEU A 829 0.027 2.019 -5.720 1.00 0.00 C ATOM 1121 O LEU A 829 1.230 1.850 -5.527 1.00 0.00 O ATOM 1122 CB LEU A 829 -1.635 2.873 -4.044 1.00 0.00 C ATOM 1123 CG LEU A 829 -0.992 2.234 -2.807 1.00 0.00 C ATOM 1124 CD1 LEU A 829 0.307 2.936 -2.442 1.00 0.00 C ATOM 1125 CD2 LEU A 829 -1.958 2.274 -1.632 1.00 0.00 C ATOM 0 H LEU A 829 -2.437 4.003 -6.052 1.00 0.00 H new ATOM 0 HA LEU A 829 0.069 3.952 -4.813 1.00 0.00 H new ATOM 0 HB2 LEU A 829 -2.168 3.769 -3.727 1.00 0.00 H new ATOM 0 HB3 LEU A 829 -2.380 2.181 -4.438 1.00 0.00 H new ATOM 0 HG LEU A 829 -0.762 1.195 -3.043 1.00 0.00 H new ATOM 0 HD11 LEU A 829 0.741 2.463 -1.562 1.00 0.00 H new ATOM 0 HD12 LEU A 829 1.006 2.864 -3.275 1.00 0.00 H new ATOM 0 HD13 LEU A 829 0.106 3.986 -2.227 1.00 0.00 H new ATOM 0 HD21 LEU A 829 -1.490 1.817 -0.760 1.00 0.00 H new ATOM 0 HD22 LEU A 829 -2.214 3.309 -1.406 1.00 0.00 H new ATOM 0 HD23 LEU A 829 -2.864 1.724 -1.887 1.00 0.00 H new ATOM 1137 N ALA A 830 -0.720 1.177 -6.425 1.00 0.00 N ATOM 1138 CA ALA A 830 -0.179 -0.057 -6.980 1.00 0.00 C ATOM 1139 C ALA A 830 1.016 0.224 -7.883 1.00 0.00 C ATOM 1140 O ALA A 830 2.046 -0.445 -7.791 1.00 0.00 O ATOM 1141 CB ALA A 830 -1.259 -0.809 -7.741 1.00 0.00 C ATOM 0 H ALA A 830 -1.708 1.329 -6.626 1.00 0.00 H new ATOM 0 HA ALA A 830 0.166 -0.679 -6.154 1.00 0.00 H new ATOM 0 HB1 ALA A 830 -0.842 -1.729 -8.151 1.00 0.00 H new ATOM 0 HB2 ALA A 830 -2.079 -1.052 -7.065 1.00 0.00 H new ATOM 0 HB3 ALA A 830 -1.632 -0.186 -8.554 1.00 0.00 H new ATOM 1147 N GLN A 831 0.878 1.228 -8.738 1.00 0.00 N ATOM 1148 CA GLN A 831 1.938 1.596 -9.668 1.00 0.00 C ATOM 1149 C GLN A 831 3.181 2.074 -8.920 1.00 0.00 C ATOM 1150 O GLN A 831 4.301 1.665 -9.231 1.00 0.00 O ATOM 1151 CB GLN A 831 1.449 2.688 -10.622 1.00 0.00 C ATOM 1152 CG GLN A 831 2.322 2.848 -11.858 1.00 0.00 C ATOM 1153 CD GLN A 831 2.318 1.612 -12.738 1.00 0.00 C ATOM 1154 OE1 GLN A 831 1.291 1.246 -13.306 1.00 0.00 O ATOM 1155 NE2 GLN A 831 3.467 0.966 -12.861 1.00 0.00 N ATOM 0 H GLN A 831 0.039 1.804 -8.807 1.00 0.00 H new ATOM 0 HA GLN A 831 2.205 0.711 -10.245 1.00 0.00 H new ATOM 0 HB2 GLN A 831 0.430 2.458 -10.934 1.00 0.00 H new ATOM 0 HB3 GLN A 831 1.412 3.637 -10.087 1.00 0.00 H new ATOM 0 HG2 GLN A 831 1.973 3.703 -12.437 1.00 0.00 H new ATOM 0 HG3 GLN A 831 3.344 3.067 -11.550 1.00 0.00 H new ATOM 0 HE21 GLN A 831 4.296 1.303 -12.372 1.00 0.00 H new ATOM 0 HE22 GLN A 831 3.523 0.131 -13.444 1.00 0.00 H new ATOM 1164 N ALA A 832 2.974 2.919 -7.920 1.00 0.00 N ATOM 1165 CA ALA A 832 4.078 3.506 -7.172 1.00 0.00 C ATOM 1166 C ALA A 832 4.861 2.447 -6.400 1.00 0.00 C ATOM 1167 O ALA A 832 6.091 2.393 -6.484 1.00 0.00 O ATOM 1168 CB ALA A 832 3.564 4.582 -6.230 1.00 0.00 C ATOM 0 H ALA A 832 2.049 3.214 -7.607 1.00 0.00 H new ATOM 0 HA ALA A 832 4.761 3.961 -7.889 1.00 0.00 H new ATOM 0 HB1 ALA A 832 4.400 5.012 -5.678 1.00 0.00 H new ATOM 0 HB2 ALA A 832 3.069 5.364 -6.806 1.00 0.00 H new ATOM 0 HB3 ALA A 832 2.854 4.143 -5.529 1.00 0.00 H new ATOM 1174 N THR A 833 4.153 1.603 -5.656 1.00 0.00 N ATOM 1175 CA THR A 833 4.798 0.570 -4.857 1.00 0.00 C ATOM 1176 C THR A 833 5.509 -0.464 -5.730 1.00 0.00 C ATOM 1177 O THR A 833 6.582 -0.947 -5.370 1.00 0.00 O ATOM 1178 CB THR A 833 3.793 -0.147 -3.944 1.00 0.00 C ATOM 1179 OG1 THR A 833 2.851 0.796 -3.424 1.00 0.00 O ATOM 1180 CG2 THR A 833 4.512 -0.836 -2.796 1.00 0.00 C ATOM 0 H THR A 833 3.135 1.615 -5.591 1.00 0.00 H new ATOM 0 HA THR A 833 5.539 1.079 -4.241 1.00 0.00 H new ATOM 0 HB THR A 833 3.268 -0.900 -4.531 1.00 0.00 H new ATOM 0 HG1 THR A 833 2.205 0.332 -2.851 1.00 0.00 H new ATOM 0 HG21 THR A 833 3.784 -1.339 -2.160 1.00 0.00 H new ATOM 0 HG22 THR A 833 5.214 -1.569 -3.194 1.00 0.00 H new ATOM 0 HG23 THR A 833 5.055 -0.095 -2.210 1.00 0.00 H new ATOM 1188 N SER A 834 4.918 -0.795 -6.876 1.00 0.00 N ATOM 1189 CA SER A 834 5.527 -1.752 -7.797 1.00 0.00 C ATOM 1190 C SER A 834 6.914 -1.278 -8.219 1.00 0.00 C ATOM 1191 O SER A 834 7.849 -2.072 -8.341 1.00 0.00 O ATOM 1192 CB SER A 834 4.639 -1.951 -9.026 1.00 0.00 C ATOM 1193 OG SER A 834 3.388 -2.512 -8.664 1.00 0.00 O ATOM 0 H SER A 834 4.023 -0.417 -7.188 1.00 0.00 H new ATOM 0 HA SER A 834 5.628 -2.708 -7.282 1.00 0.00 H new ATOM 0 HB2 SER A 834 4.482 -0.994 -9.524 1.00 0.00 H new ATOM 0 HB3 SER A 834 5.141 -2.604 -9.740 1.00 0.00 H new ATOM 0 HG SER A 834 2.738 -1.794 -8.516 1.00 0.00 H new ATOM 1199 N ASP A 835 7.038 0.028 -8.419 1.00 0.00 N ATOM 1200 CA ASP A 835 8.316 0.638 -8.759 1.00 0.00 C ATOM 1201 C ASP A 835 9.254 0.607 -7.555 1.00 0.00 C ATOM 1202 O ASP A 835 10.415 0.215 -7.667 1.00 0.00 O ATOM 1203 CB ASP A 835 8.100 2.083 -9.212 1.00 0.00 C ATOM 1204 CG ASP A 835 9.397 2.861 -9.315 1.00 0.00 C ATOM 1205 OD1 ASP A 835 10.235 2.518 -10.172 1.00 0.00 O ATOM 1206 OD2 ASP A 835 9.582 3.819 -8.533 1.00 0.00 O ATOM 0 H ASP A 835 6.263 0.688 -8.351 1.00 0.00 H new ATOM 0 HA ASP A 835 8.769 0.072 -9.573 1.00 0.00 H new ATOM 0 HB2 ASP A 835 7.601 2.085 -10.181 1.00 0.00 H new ATOM 0 HB3 ASP A 835 7.434 2.585 -8.510 1.00 0.00 H new ATOM 1211 N LEU A 836 8.723 1.004 -6.403 1.00 0.00 N ATOM 1212 CA LEU A 836 9.490 1.061 -5.161 1.00 0.00 C ATOM 1213 C LEU A 836 10.118 -0.292 -4.832 1.00 0.00 C ATOM 1214 O LEU A 836 11.325 -0.389 -4.608 1.00 0.00 O ATOM 1215 CB LEU A 836 8.575 1.521 -4.015 1.00 0.00 C ATOM 1216 CG LEU A 836 9.136 1.371 -2.598 1.00 0.00 C ATOM 1217 CD1 LEU A 836 10.319 2.308 -2.391 1.00 0.00 C ATOM 1218 CD2 LEU A 836 8.049 1.651 -1.573 1.00 0.00 C ATOM 0 H LEU A 836 7.751 1.295 -6.303 1.00 0.00 H new ATOM 0 HA LEU A 836 10.302 1.777 -5.288 1.00 0.00 H new ATOM 0 HB2 LEU A 836 8.327 2.570 -4.175 1.00 0.00 H new ATOM 0 HB3 LEU A 836 7.643 0.960 -4.075 1.00 0.00 H new ATOM 0 HG LEU A 836 9.484 0.346 -2.467 1.00 0.00 H new ATOM 0 HD11 LEU A 836 10.705 2.188 -1.379 1.00 0.00 H new ATOM 0 HD12 LEU A 836 11.103 2.068 -3.109 1.00 0.00 H new ATOM 0 HD13 LEU A 836 9.996 3.339 -2.537 1.00 0.00 H new ATOM 0 HD21 LEU A 836 8.459 1.541 -0.569 1.00 0.00 H new ATOM 0 HD22 LEU A 836 7.678 2.667 -1.705 1.00 0.00 H new ATOM 0 HD23 LEU A 836 7.230 0.945 -1.709 1.00 0.00 H new ATOM 1230 N VAL A 837 9.296 -1.333 -4.831 1.00 0.00 N ATOM 1231 CA VAL A 837 9.746 -2.673 -4.473 1.00 0.00 C ATOM 1232 C VAL A 837 10.857 -3.158 -5.407 1.00 0.00 C ATOM 1233 O VAL A 837 11.811 -3.803 -4.969 1.00 0.00 O ATOM 1234 CB VAL A 837 8.570 -3.676 -4.488 1.00 0.00 C ATOM 1235 CG1 VAL A 837 9.052 -5.099 -4.251 1.00 0.00 C ATOM 1236 CG2 VAL A 837 7.529 -3.289 -3.446 1.00 0.00 C ATOM 0 H VAL A 837 8.308 -1.275 -5.076 1.00 0.00 H new ATOM 0 HA VAL A 837 10.147 -2.618 -3.461 1.00 0.00 H new ATOM 0 HB VAL A 837 8.112 -3.638 -5.476 1.00 0.00 H new ATOM 0 HG11 VAL A 837 8.200 -5.779 -4.268 1.00 0.00 H new ATOM 0 HG12 VAL A 837 9.756 -5.380 -5.034 1.00 0.00 H new ATOM 0 HG13 VAL A 837 9.545 -5.159 -3.281 1.00 0.00 H new ATOM 0 HG21 VAL A 837 6.707 -4.005 -3.469 1.00 0.00 H new ATOM 0 HG22 VAL A 837 7.986 -3.293 -2.456 1.00 0.00 H new ATOM 0 HG23 VAL A 837 7.148 -2.292 -3.666 1.00 0.00 H new ATOM 1246 N ASN A 838 10.748 -2.819 -6.687 1.00 0.00 N ATOM 1247 CA ASN A 838 11.737 -3.248 -7.672 1.00 0.00 C ATOM 1248 C ASN A 838 13.092 -2.606 -7.397 1.00 0.00 C ATOM 1249 O ASN A 838 14.133 -3.252 -7.530 1.00 0.00 O ATOM 1250 CB ASN A 838 11.286 -2.903 -9.091 1.00 0.00 C ATOM 1251 CG ASN A 838 12.119 -3.612 -10.142 1.00 0.00 C ATOM 1252 OD1 ASN A 838 11.929 -4.800 -10.404 1.00 0.00 O ATOM 1253 ND2 ASN A 838 13.049 -2.892 -10.747 1.00 0.00 N ATOM 0 H ASN A 838 9.990 -2.252 -7.066 1.00 0.00 H new ATOM 0 HA ASN A 838 11.833 -4.330 -7.587 1.00 0.00 H new ATOM 0 HB2 ASN A 838 10.238 -3.176 -9.214 1.00 0.00 H new ATOM 0 HB3 ASN A 838 11.354 -1.826 -9.241 1.00 0.00 H new ATOM 0 HD21 ASN A 838 13.641 -3.319 -11.460 1.00 0.00 H new ATOM 0 HD22 ASN A 838 13.174 -1.910 -10.501 1.00 0.00 H new ATOM 1260 N ALA A 839 13.068 -1.338 -7.002 1.00 0.00 N ATOM 1261 CA ALA A 839 14.290 -0.610 -6.689 1.00 0.00 C ATOM 1262 C ALA A 839 15.053 -1.291 -5.563 1.00 0.00 C ATOM 1263 O ALA A 839 16.259 -1.513 -5.661 1.00 0.00 O ATOM 1264 CB ALA A 839 13.967 0.829 -6.319 1.00 0.00 C ATOM 0 H ALA A 839 12.213 -0.793 -6.891 1.00 0.00 H new ATOM 0 HA ALA A 839 14.924 -0.609 -7.576 1.00 0.00 H new ATOM 0 HB1 ALA A 839 14.890 1.361 -6.088 1.00 0.00 H new ATOM 0 HB2 ALA A 839 13.467 1.317 -7.156 1.00 0.00 H new ATOM 0 HB3 ALA A 839 13.312 0.842 -5.448 1.00 0.00 H new ATOM 1270 N ILE A 840 14.335 -1.641 -4.503 1.00 0.00 N ATOM 1271 CA ILE A 840 14.931 -2.321 -3.359 1.00 0.00 C ATOM 1272 C ILE A 840 15.421 -3.713 -3.754 1.00 0.00 C ATOM 1273 O ILE A 840 16.486 -4.156 -3.320 1.00 0.00 O ATOM 1274 CB ILE A 840 13.925 -2.430 -2.192 1.00 0.00 C ATOM 1275 CG1 ILE A 840 13.560 -1.036 -1.681 1.00 0.00 C ATOM 1276 CG2 ILE A 840 14.490 -3.279 -1.060 1.00 0.00 C ATOM 1277 CD1 ILE A 840 12.072 -0.785 -1.627 1.00 0.00 C ATOM 0 H ILE A 840 13.335 -1.464 -4.412 1.00 0.00 H new ATOM 0 HA ILE A 840 15.783 -1.727 -3.028 1.00 0.00 H new ATOM 0 HB ILE A 840 13.024 -2.919 -2.562 1.00 0.00 H new ATOM 0 HG12 ILE A 840 13.980 -0.902 -0.684 1.00 0.00 H new ATOM 0 HG13 ILE A 840 14.023 -0.289 -2.325 1.00 0.00 H new ATOM 0 HG21 ILE A 840 13.761 -3.339 -0.252 1.00 0.00 H new ATOM 0 HG22 ILE A 840 14.705 -4.282 -1.430 1.00 0.00 H new ATOM 0 HG23 ILE A 840 15.408 -2.825 -0.688 1.00 0.00 H new ATOM 0 HD11 ILE A 840 11.886 0.223 -1.255 1.00 0.00 H new ATOM 0 HD12 ILE A 840 11.649 -0.887 -2.627 1.00 0.00 H new ATOM 0 HD13 ILE A 840 11.605 -1.509 -0.960 1.00 0.00 H new ATOM 1289 N LYS A 841 14.645 -4.388 -4.596 1.00 0.00 N ATOM 1290 CA LYS A 841 15.004 -5.718 -5.079 1.00 0.00 C ATOM 1291 C LYS A 841 16.331 -5.683 -5.833 1.00 0.00 C ATOM 1292 O LYS A 841 17.147 -6.602 -5.726 1.00 0.00 O ATOM 1293 CB LYS A 841 13.904 -6.265 -5.990 1.00 0.00 C ATOM 1294 CG LYS A 841 13.020 -7.306 -5.324 1.00 0.00 C ATOM 1295 CD LYS A 841 11.604 -7.265 -5.873 1.00 0.00 C ATOM 1296 CE LYS A 841 11.494 -8.002 -7.198 1.00 0.00 C ATOM 1297 NZ LYS A 841 10.525 -9.125 -7.127 1.00 0.00 N ATOM 0 H LYS A 841 13.760 -4.035 -4.960 1.00 0.00 H new ATOM 0 HA LYS A 841 15.113 -6.374 -4.215 1.00 0.00 H new ATOM 0 HB2 LYS A 841 13.282 -5.437 -6.331 1.00 0.00 H new ATOM 0 HB3 LYS A 841 14.363 -6.704 -6.876 1.00 0.00 H new ATOM 0 HG2 LYS A 841 13.443 -8.298 -5.480 1.00 0.00 H new ATOM 0 HG3 LYS A 841 13.000 -7.133 -4.248 1.00 0.00 H new ATOM 0 HD2 LYS A 841 10.920 -7.711 -5.151 1.00 0.00 H new ATOM 0 HD3 LYS A 841 11.295 -6.228 -6.006 1.00 0.00 H new ATOM 0 HE2 LYS A 841 11.185 -7.305 -7.977 1.00 0.00 H new ATOM 0 HE3 LYS A 841 12.474 -8.385 -7.483 1.00 0.00 H new ATOM 0 HZ1 LYS A 841 10.479 -9.602 -8.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 841 10.833 -9.804 -6.401 1.00 0.00 H new ATOM 0 HZ3 LYS A 841 9.584 -8.757 -6.880 1.00 0.00 H new ATOM 1508 N LEU A 856 15.550 -6.265 3.870 1.00 0.00 N ATOM 1509 CA LEU A 856 15.162 -5.302 2.857 1.00 0.00 C ATOM 1510 C LEU A 856 14.089 -5.862 1.945 1.00 0.00 C ATOM 1511 O LEU A 856 13.048 -5.241 1.724 1.00 0.00 O ATOM 1512 CB LEU A 856 16.393 -4.952 2.033 1.00 0.00 C ATOM 1513 CG LEU A 856 17.122 -3.690 2.492 1.00 0.00 C ATOM 1514 CD1 LEU A 856 18.545 -3.667 1.956 1.00 0.00 C ATOM 1515 CD2 LEU A 856 16.367 -2.441 2.064 1.00 0.00 C ATOM 0 HA LEU A 856 14.756 -4.417 3.347 1.00 0.00 H new ATOM 0 HB2 LEU A 856 17.088 -5.791 2.066 1.00 0.00 H new ATOM 0 HB3 LEU A 856 16.095 -4.826 0.992 1.00 0.00 H new ATOM 0 HG LEU A 856 17.166 -3.702 3.581 1.00 0.00 H new ATOM 0 HD11 LEU A 856 19.047 -2.760 2.294 1.00 0.00 H new ATOM 0 HD12 LEU A 856 19.086 -4.539 2.323 1.00 0.00 H new ATOM 0 HD13 LEU A 856 18.524 -3.685 0.866 1.00 0.00 H new ATOM 0 HD21 LEU A 856 16.906 -1.556 2.403 1.00 0.00 H new ATOM 0 HD22 LEU A 856 16.283 -2.421 0.977 1.00 0.00 H new ATOM 0 HD23 LEU A 856 15.370 -2.449 2.505 1.00 0.00 H new ATOM 1527 N LEU A 857 14.346 -7.049 1.445 1.00 0.00 N ATOM 1528 CA LEU A 857 13.452 -7.692 0.507 1.00 0.00 C ATOM 1529 C LEU A 857 12.221 -8.247 1.209 1.00 0.00 C ATOM 1530 O LEU A 857 11.174 -8.440 0.588 1.00 0.00 O ATOM 1531 CB LEU A 857 14.219 -8.764 -0.248 1.00 0.00 C ATOM 1532 CG LEU A 857 15.529 -8.253 -0.856 1.00 0.00 C ATOM 1533 CD1 LEU A 857 16.611 -9.321 -0.772 1.00 0.00 C ATOM 1534 CD2 LEU A 857 15.309 -7.834 -2.300 1.00 0.00 C ATOM 0 H LEU A 857 15.176 -7.595 1.675 1.00 0.00 H new ATOM 0 HA LEU A 857 13.084 -6.959 -0.211 1.00 0.00 H new ATOM 0 HB2 LEU A 857 14.438 -9.590 0.429 1.00 0.00 H new ATOM 0 HB3 LEU A 857 13.588 -9.162 -1.043 1.00 0.00 H new ATOM 0 HG LEU A 857 15.860 -7.385 -0.286 1.00 0.00 H new ATOM 0 HD11 LEU A 857 17.534 -8.939 -1.209 1.00 0.00 H new ATOM 0 HD12 LEU A 857 16.785 -9.582 0.272 1.00 0.00 H new ATOM 0 HD13 LEU A 857 16.290 -10.208 -1.319 1.00 0.00 H new ATOM 0 HD21 LEU A 857 16.247 -7.473 -2.721 1.00 0.00 H new ATOM 0 HD22 LEU A 857 14.958 -8.689 -2.877 1.00 0.00 H new ATOM 0 HD23 LEU A 857 14.564 -7.039 -2.339 1.00 0.00 H new ATOM 1546 N SER A 858 12.348 -8.514 2.502 1.00 0.00 N ATOM 1547 CA SER A 858 11.202 -8.901 3.309 1.00 0.00 C ATOM 1548 C SER A 858 10.255 -7.714 3.455 1.00 0.00 C ATOM 1549 O SER A 858 9.048 -7.847 3.273 1.00 0.00 O ATOM 1550 CB SER A 858 11.651 -9.400 4.686 1.00 0.00 C ATOM 1551 OG SER A 858 12.238 -10.691 4.600 1.00 0.00 O ATOM 0 H SER A 858 13.230 -8.470 3.012 1.00 0.00 H new ATOM 0 HA SER A 858 10.679 -9.717 2.810 1.00 0.00 H new ATOM 0 HB2 SER A 858 12.369 -8.699 5.113 1.00 0.00 H new ATOM 0 HB3 SER A 858 10.796 -9.431 5.361 1.00 0.00 H new ATOM 0 HG SER A 858 12.517 -10.984 5.493 1.00 0.00 H new ATOM 1557 N ALA A 859 10.821 -6.548 3.765 1.00 0.00 N ATOM 1558 CA ALA A 859 10.037 -5.325 3.895 1.00 0.00 C ATOM 1559 C ALA A 859 9.401 -4.948 2.562 1.00 0.00 C ATOM 1560 O ALA A 859 8.235 -4.556 2.510 1.00 0.00 O ATOM 1561 CB ALA A 859 10.908 -4.190 4.411 1.00 0.00 C ATOM 0 H ALA A 859 11.820 -6.427 3.930 1.00 0.00 H new ATOM 0 HA ALA A 859 9.238 -5.504 4.615 1.00 0.00 H new ATOM 0 HB1 ALA A 859 10.309 -3.284 4.503 1.00 0.00 H new ATOM 0 HB2 ALA A 859 11.313 -4.457 5.387 1.00 0.00 H new ATOM 0 HB3 ALA A 859 11.727 -4.014 3.714 1.00 0.00 H new ATOM 1567 N ALA A 860 10.173 -5.076 1.487 1.00 0.00 N ATOM 1568 CA ALA A 860 9.674 -4.802 0.143 1.00 0.00 C ATOM 1569 C ALA A 860 8.513 -5.732 -0.202 1.00 0.00 C ATOM 1570 O ALA A 860 7.556 -5.332 -0.863 1.00 0.00 O ATOM 1571 CB ALA A 860 10.794 -4.945 -0.876 1.00 0.00 C ATOM 0 H ALA A 860 11.150 -5.369 1.521 1.00 0.00 H new ATOM 0 HA ALA A 860 9.308 -3.776 0.114 1.00 0.00 H new ATOM 0 HB1 ALA A 860 10.407 -4.738 -1.874 1.00 0.00 H new ATOM 0 HB2 ALA A 860 11.591 -4.239 -0.642 1.00 0.00 H new ATOM 0 HB3 ALA A 860 11.188 -5.961 -0.844 1.00 0.00 H new ATOM 1577 N LYS A 861 8.602 -6.973 0.262 1.00 0.00 N ATOM 1578 CA LYS A 861 7.537 -7.945 0.057 1.00 0.00 C ATOM 1579 C LYS A 861 6.254 -7.476 0.730 1.00 0.00 C ATOM 1580 O LYS A 861 5.168 -7.590 0.157 1.00 0.00 O ATOM 1581 CB LYS A 861 7.947 -9.310 0.608 1.00 0.00 C ATOM 1582 CG LYS A 861 8.181 -10.353 -0.470 1.00 0.00 C ATOM 1583 CD LYS A 861 7.612 -11.706 -0.072 1.00 0.00 C ATOM 1584 CE LYS A 861 8.689 -12.774 -0.046 1.00 0.00 C ATOM 1585 NZ LYS A 861 9.303 -12.911 1.300 1.00 0.00 N ATOM 0 H LYS A 861 9.403 -7.330 0.784 1.00 0.00 H new ATOM 0 HA LYS A 861 7.359 -8.038 -1.014 1.00 0.00 H new ATOM 0 HB2 LYS A 861 8.857 -9.197 1.197 1.00 0.00 H new ATOM 0 HB3 LYS A 861 7.172 -9.667 1.286 1.00 0.00 H new ATOM 0 HG2 LYS A 861 7.721 -10.024 -1.402 1.00 0.00 H new ATOM 0 HG3 LYS A 861 9.250 -10.448 -0.659 1.00 0.00 H new ATOM 0 HD2 LYS A 861 7.147 -11.632 0.911 1.00 0.00 H new ATOM 0 HD3 LYS A 861 6.829 -11.994 -0.774 1.00 0.00 H new ATOM 0 HE2 LYS A 861 8.260 -13.729 -0.348 1.00 0.00 H new ATOM 0 HE3 LYS A 861 9.462 -12.528 -0.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 861 10.034 -13.651 1.275 1.00 0.00 H new ATOM 0 HZ2 LYS A 861 9.735 -12.007 1.578 1.00 0.00 H new ATOM 0 HZ3 LYS A 861 8.571 -13.171 1.991 1.00 0.00 H new ATOM 1599 N ILE A 862 6.390 -6.943 1.943 1.00 0.00 N ATOM 1600 CA ILE A 862 5.254 -6.398 2.675 1.00 0.00 C ATOM 1601 C ILE A 862 4.651 -5.220 1.920 1.00 0.00 C ATOM 1602 O ILE A 862 3.433 -5.100 1.814 1.00 0.00 O ATOM 1603 CB ILE A 862 5.645 -5.931 4.095 1.00 0.00 C ATOM 1604 CG1 ILE A 862 6.483 -6.996 4.805 1.00 0.00 C ATOM 1605 CG2 ILE A 862 4.401 -5.609 4.909 1.00 0.00 C ATOM 1606 CD1 ILE A 862 7.258 -6.460 5.990 1.00 0.00 C ATOM 0 H ILE A 862 7.279 -6.878 2.439 1.00 0.00 H new ATOM 0 HA ILE A 862 4.524 -7.202 2.765 1.00 0.00 H new ATOM 0 HB ILE A 862 6.246 -5.027 4.003 1.00 0.00 H new ATOM 0 HG12 ILE A 862 5.827 -7.799 5.142 1.00 0.00 H new ATOM 0 HG13 ILE A 862 7.181 -7.434 4.091 1.00 0.00 H new ATOM 0 HG21 ILE A 862 4.694 -5.282 5.907 1.00 0.00 H new ATOM 0 HG22 ILE A 862 3.839 -4.815 4.417 1.00 0.00 H new ATOM 0 HG23 ILE A 862 3.777 -6.499 4.988 1.00 0.00 H new ATOM 0 HD11 ILE A 862 7.830 -7.268 6.446 1.00 0.00 H new ATOM 0 HD12 ILE A 862 7.939 -5.677 5.655 1.00 0.00 H new ATOM 0 HD13 ILE A 862 6.564 -6.048 6.723 1.00 0.00 H new ATOM 1618 N LEU A 863 5.522 -4.363 1.392 1.00 0.00 N ATOM 1619 CA LEU A 863 5.094 -3.207 0.609 1.00 0.00 C ATOM 1620 C LEU A 863 4.160 -3.643 -0.517 1.00 0.00 C ATOM 1621 O LEU A 863 3.065 -3.100 -0.680 1.00 0.00 O ATOM 1622 CB LEU A 863 6.313 -2.484 0.018 1.00 0.00 C ATOM 1623 CG LEU A 863 6.729 -1.185 0.720 1.00 0.00 C ATOM 1624 CD1 LEU A 863 5.514 -0.323 1.030 1.00 0.00 C ATOM 1625 CD2 LEU A 863 7.507 -1.493 1.992 1.00 0.00 C ATOM 0 H LEU A 863 6.533 -4.449 1.493 1.00 0.00 H new ATOM 0 HA LEU A 863 4.559 -2.524 1.269 1.00 0.00 H new ATOM 0 HB2 LEU A 863 7.160 -3.170 0.034 1.00 0.00 H new ATOM 0 HB3 LEU A 863 6.105 -2.258 -1.028 1.00 0.00 H new ATOM 0 HG LEU A 863 7.377 -0.625 0.045 1.00 0.00 H new ATOM 0 HD11 LEU A 863 5.835 0.592 1.528 1.00 0.00 H new ATOM 0 HD12 LEU A 863 5.000 -0.071 0.102 1.00 0.00 H new ATOM 0 HD13 LEU A 863 4.835 -0.872 1.683 1.00 0.00 H new ATOM 0 HD21 LEU A 863 7.794 -0.560 2.478 1.00 0.00 H new ATOM 0 HD22 LEU A 863 6.882 -2.077 2.668 1.00 0.00 H new ATOM 0 HD23 LEU A 863 8.402 -2.063 1.742 1.00 0.00 H new ATOM 1637 N ALA A 864 4.592 -4.644 -1.274 1.00 0.00 N ATOM 1638 CA ALA A 864 3.818 -5.148 -2.401 1.00 0.00 C ATOM 1639 C ALA A 864 2.525 -5.822 -1.941 1.00 0.00 C ATOM 1640 O ALA A 864 1.456 -5.571 -2.498 1.00 0.00 O ATOM 1641 CB ALA A 864 4.657 -6.111 -3.226 1.00 0.00 C ATOM 0 H ALA A 864 5.479 -5.125 -1.126 1.00 0.00 H new ATOM 0 HA ALA A 864 3.541 -4.297 -3.023 1.00 0.00 H new ATOM 0 HB1 ALA A 864 4.067 -6.481 -4.065 1.00 0.00 H new ATOM 0 HB2 ALA A 864 5.540 -5.594 -3.603 1.00 0.00 H new ATOM 0 HB3 ALA A 864 4.966 -6.950 -2.603 1.00 0.00 H new ATOM 1647 N ASP A 865 2.626 -6.668 -0.916 1.00 0.00 N ATOM 1648 CA ASP A 865 1.461 -7.400 -0.412 1.00 0.00 C ATOM 1649 C ASP A 865 0.410 -6.443 0.134 1.00 0.00 C ATOM 1650 O ASP A 865 -0.775 -6.561 -0.178 1.00 0.00 O ATOM 1651 CB ASP A 865 1.867 -8.393 0.682 1.00 0.00 C ATOM 1652 CG ASP A 865 0.667 -8.940 1.439 1.00 0.00 C ATOM 1653 OD1 ASP A 865 -0.129 -9.697 0.842 1.00 0.00 O ATOM 1654 OD2 ASP A 865 0.512 -8.615 2.634 1.00 0.00 O ATOM 0 H ASP A 865 3.496 -6.864 -0.420 1.00 0.00 H new ATOM 0 HA ASP A 865 1.036 -7.952 -1.250 1.00 0.00 H new ATOM 0 HB2 ASP A 865 2.418 -9.219 0.233 1.00 0.00 H new ATOM 0 HB3 ASP A 865 2.543 -7.902 1.382 1.00 0.00 H new ATOM 1659 N ALA A 866 0.855 -5.486 0.938 1.00 0.00 N ATOM 1660 CA ALA A 866 -0.043 -4.510 1.535 1.00 0.00 C ATOM 1661 C ALA A 866 -0.727 -3.670 0.463 1.00 0.00 C ATOM 1662 O ALA A 866 -1.897 -3.316 0.597 1.00 0.00 O ATOM 1663 CB ALA A 866 0.712 -3.622 2.511 1.00 0.00 C ATOM 0 H ALA A 866 1.836 -5.366 1.191 1.00 0.00 H new ATOM 0 HA ALA A 866 -0.816 -5.049 2.083 1.00 0.00 H new ATOM 0 HB1 ALA A 866 0.026 -2.897 2.949 1.00 0.00 H new ATOM 0 HB2 ALA A 866 1.145 -4.236 3.301 1.00 0.00 H new ATOM 0 HB3 ALA A 866 1.508 -3.096 1.984 1.00 0.00 H new ATOM 1669 N THR A 867 -0.002 -3.368 -0.605 1.00 0.00 N ATOM 1670 CA THR A 867 -0.556 -2.588 -1.701 1.00 0.00 C ATOM 1671 C THR A 867 -1.644 -3.372 -2.434 1.00 0.00 C ATOM 1672 O THR A 867 -2.673 -2.811 -2.815 1.00 0.00 O ATOM 1673 CB THR A 867 0.542 -2.151 -2.690 1.00 0.00 C ATOM 1674 OG1 THR A 867 1.522 -1.365 -2.003 1.00 0.00 O ATOM 1675 CG2 THR A 867 -0.041 -1.341 -3.834 1.00 0.00 C ATOM 0 H THR A 867 0.969 -3.651 -0.735 1.00 0.00 H new ATOM 0 HA THR A 867 -1.002 -1.692 -1.270 1.00 0.00 H new ATOM 0 HB THR A 867 1.004 -3.047 -3.103 1.00 0.00 H new ATOM 0 HG1 THR A 867 1.960 -1.913 -1.319 1.00 0.00 H new ATOM 0 HG21 THR A 867 0.757 -1.047 -4.515 1.00 0.00 H new ATOM 0 HG22 THR A 867 -0.773 -1.944 -4.371 1.00 0.00 H new ATOM 0 HG23 THR A 867 -0.527 -0.449 -3.438 1.00 0.00 H new ATOM 1683 N ALA A 868 -1.429 -4.674 -2.616 1.00 0.00 N ATOM 1684 CA ALA A 868 -2.450 -5.527 -3.210 1.00 0.00 C ATOM 1685 C ALA A 868 -3.667 -5.583 -2.304 1.00 0.00 C ATOM 1686 O ALA A 868 -4.803 -5.512 -2.767 1.00 0.00 O ATOM 1687 CB ALA A 868 -1.927 -6.931 -3.459 1.00 0.00 C ATOM 0 H ALA A 868 -0.566 -5.155 -2.363 1.00 0.00 H new ATOM 0 HA ALA A 868 -2.729 -5.097 -4.172 1.00 0.00 H new ATOM 0 HB1 ALA A 868 -2.715 -7.540 -3.902 1.00 0.00 H new ATOM 0 HB2 ALA A 868 -1.076 -6.887 -4.139 1.00 0.00 H new ATOM 0 HB3 ALA A 868 -1.614 -7.375 -2.514 1.00 0.00 H new ATOM 1693 N LYS A 869 -3.412 -5.703 -1.006 1.00 0.00 N ATOM 1694 CA LYS A 869 -4.470 -5.681 -0.008 1.00 0.00 C ATOM 1695 C LYS A 869 -5.253 -4.379 -0.100 1.00 0.00 C ATOM 1696 O LYS A 869 -6.482 -4.377 -0.051 1.00 0.00 O ATOM 1697 CB LYS A 869 -3.878 -5.827 1.394 1.00 0.00 C ATOM 1698 CG LYS A 869 -3.831 -7.258 1.895 1.00 0.00 C ATOM 1699 CD LYS A 869 -3.636 -7.307 3.401 1.00 0.00 C ATOM 1700 CE LYS A 869 -2.182 -7.088 3.784 1.00 0.00 C ATOM 1701 NZ LYS A 869 -1.558 -8.319 4.336 1.00 0.00 N ATOM 0 H LYS A 869 -2.475 -5.817 -0.620 1.00 0.00 H new ATOM 0 HA LYS A 869 -5.143 -6.517 -0.199 1.00 0.00 H new ATOM 0 HB2 LYS A 869 -2.867 -5.418 1.395 1.00 0.00 H new ATOM 0 HB3 LYS A 869 -4.465 -5.228 2.090 1.00 0.00 H new ATOM 0 HG2 LYS A 869 -4.756 -7.770 1.629 1.00 0.00 H new ATOM 0 HG3 LYS A 869 -3.018 -7.792 1.403 1.00 0.00 H new ATOM 0 HD2 LYS A 869 -4.256 -6.545 3.874 1.00 0.00 H new ATOM 0 HD3 LYS A 869 -3.972 -8.272 3.781 1.00 0.00 H new ATOM 0 HE2 LYS A 869 -1.622 -6.760 2.908 1.00 0.00 H new ATOM 0 HE3 LYS A 869 -2.118 -6.288 4.521 1.00 0.00 H new ATOM 0 HZ1 LYS A 869 -1.415 -8.207 5.360 1.00 0.00 H new ATOM 0 HZ2 LYS A 869 -2.181 -9.133 4.161 1.00 0.00 H new ATOM 0 HZ3 LYS A 869 -0.640 -8.480 3.874 1.00 0.00 H new ATOM 1715 N MET A 870 -4.524 -3.282 -0.251 1.00 0.00 N ATOM 1716 CA MET A 870 -5.122 -1.961 -0.355 1.00 0.00 C ATOM 1717 C MET A 870 -5.993 -1.850 -1.601 1.00 0.00 C ATOM 1718 O MET A 870 -7.142 -1.415 -1.529 1.00 0.00 O ATOM 1719 CB MET A 870 -4.026 -0.891 -0.381 1.00 0.00 C ATOM 1720 CG MET A 870 -4.243 0.222 0.628 1.00 0.00 C ATOM 1721 SD MET A 870 -5.972 0.405 1.102 1.00 0.00 S ATOM 1722 CE MET A 870 -6.440 1.796 0.085 1.00 0.00 C ATOM 0 H MET A 870 -3.505 -3.284 -0.305 1.00 0.00 H new ATOM 0 HA MET A 870 -5.757 -1.804 0.517 1.00 0.00 H new ATOM 0 HB2 MET A 870 -3.063 -1.364 -0.187 1.00 0.00 H new ATOM 0 HB3 MET A 870 -3.974 -0.460 -1.381 1.00 0.00 H new ATOM 0 HG2 MET A 870 -3.646 0.022 1.518 1.00 0.00 H new ATOM 0 HG3 MET A 870 -3.884 1.162 0.209 1.00 0.00 H new ATOM 0 HE1 MET A 870 -7.509 1.751 -0.123 1.00 0.00 H new ATOM 0 HE2 MET A 870 -6.211 2.724 0.610 1.00 0.00 H new ATOM 0 HE3 MET A 870 -5.886 1.764 -0.853 1.00 0.00 H new ATOM 1732 N VAL A 871 -5.447 -2.261 -2.739 1.00 0.00 N ATOM 1733 CA VAL A 871 -6.177 -2.206 -3.997 1.00 0.00 C ATOM 1734 C VAL A 871 -7.395 -3.132 -3.951 1.00 0.00 C ATOM 1735 O VAL A 871 -8.469 -2.787 -4.446 1.00 0.00 O ATOM 1736 CB VAL A 871 -5.253 -2.543 -5.204 1.00 0.00 C ATOM 1737 CG1 VAL A 871 -5.513 -3.934 -5.774 1.00 0.00 C ATOM 1738 CG2 VAL A 871 -5.400 -1.490 -6.291 1.00 0.00 C ATOM 0 H VAL A 871 -4.501 -2.636 -2.815 1.00 0.00 H new ATOM 0 HA VAL A 871 -6.533 -1.185 -4.139 1.00 0.00 H new ATOM 0 HB VAL A 871 -4.229 -2.540 -4.831 1.00 0.00 H new ATOM 0 HG11 VAL A 871 -4.841 -4.115 -6.613 1.00 0.00 H new ATOM 0 HG12 VAL A 871 -5.338 -4.682 -5.001 1.00 0.00 H new ATOM 0 HG13 VAL A 871 -6.546 -4.000 -6.116 1.00 0.00 H new ATOM 0 HG21 VAL A 871 -4.748 -1.738 -7.129 1.00 0.00 H new ATOM 0 HG22 VAL A 871 -6.435 -1.461 -6.632 1.00 0.00 H new ATOM 0 HG23 VAL A 871 -5.122 -0.514 -5.892 1.00 0.00 H new ATOM 1748 N GLU A 872 -7.231 -4.289 -3.317 1.00 0.00 N ATOM 1749 CA GLU A 872 -8.306 -5.259 -3.201 1.00 0.00 C ATOM 1750 C GLU A 872 -9.407 -4.736 -2.281 1.00 0.00 C ATOM 1751 O GLU A 872 -10.594 -4.877 -2.578 1.00 0.00 O ATOM 1752 CB GLU A 872 -7.759 -6.591 -2.683 1.00 0.00 C ATOM 1753 CG GLU A 872 -8.052 -7.763 -3.604 1.00 0.00 C ATOM 1754 CD GLU A 872 -8.719 -8.923 -2.893 1.00 0.00 C ATOM 1755 OE1 GLU A 872 -8.342 -9.223 -1.741 1.00 0.00 O ATOM 1756 OE2 GLU A 872 -9.615 -9.553 -3.490 1.00 0.00 O ATOM 0 H GLU A 872 -6.358 -4.575 -2.875 1.00 0.00 H new ATOM 0 HA GLU A 872 -8.738 -5.419 -4.189 1.00 0.00 H new ATOM 0 HB2 GLU A 872 -6.681 -6.505 -2.549 1.00 0.00 H new ATOM 0 HB3 GLU A 872 -8.187 -6.794 -1.701 1.00 0.00 H new ATOM 0 HG2 GLU A 872 -8.693 -7.426 -4.419 1.00 0.00 H new ATOM 0 HG3 GLU A 872 -7.120 -8.107 -4.053 1.00 0.00 H new ATOM 1763 N ALA A 873 -9.006 -4.114 -1.178 1.00 0.00 N ATOM 1764 CA ALA A 873 -9.955 -3.559 -0.222 1.00 0.00 C ATOM 1765 C ALA A 873 -10.699 -2.369 -0.815 1.00 0.00 C ATOM 1766 O ALA A 873 -11.919 -2.263 -0.687 1.00 0.00 O ATOM 1767 CB ALA A 873 -9.241 -3.147 1.056 1.00 0.00 C ATOM 0 H ALA A 873 -8.027 -3.982 -0.924 1.00 0.00 H new ATOM 0 HA ALA A 873 -10.685 -4.333 0.015 1.00 0.00 H new ATOM 0 HB1 ALA A 873 -9.964 -2.734 1.760 1.00 0.00 H new ATOM 0 HB2 ALA A 873 -8.758 -4.018 1.500 1.00 0.00 H new ATOM 0 HB3 ALA A 873 -8.488 -2.393 0.825 1.00 0.00 H new ATOM 1773 N ALA A 874 -9.960 -1.483 -1.475 1.00 0.00 N ATOM 1774 CA ALA A 874 -10.548 -0.295 -2.085 1.00 0.00 C ATOM 1775 C ALA A 874 -11.574 -0.675 -3.147 1.00 0.00 C ATOM 1776 O ALA A 874 -12.659 -0.097 -3.211 1.00 0.00 O ATOM 1777 CB ALA A 874 -9.465 0.585 -2.688 1.00 0.00 C ATOM 0 H ALA A 874 -8.951 -1.565 -1.601 1.00 0.00 H new ATOM 0 HA ALA A 874 -11.060 0.266 -1.303 1.00 0.00 H new ATOM 0 HB1 ALA A 874 -9.921 1.466 -3.139 1.00 0.00 H new ATOM 0 HB2 ALA A 874 -8.771 0.895 -1.907 1.00 0.00 H new ATOM 0 HB3 ALA A 874 -8.925 0.025 -3.452 1.00 0.00 H new ATOM 1783 N LYS A 875 -11.229 -1.662 -3.969 1.00 0.00 N ATOM 1784 CA LYS A 875 -12.125 -2.131 -5.020 1.00 0.00 C ATOM 1785 C LYS A 875 -13.294 -2.908 -4.425 1.00 0.00 C ATOM 1786 O LYS A 875 -14.384 -2.948 -4.995 1.00 0.00 O ATOM 1787 CB LYS A 875 -11.367 -3.015 -6.014 1.00 0.00 C ATOM 1788 CG LYS A 875 -10.761 -2.248 -7.178 1.00 0.00 C ATOM 1789 CD LYS A 875 -9.349 -2.719 -7.483 1.00 0.00 C ATOM 1790 CE LYS A 875 -9.100 -2.806 -8.978 1.00 0.00 C ATOM 1791 NZ LYS A 875 -9.378 -4.164 -9.511 1.00 0.00 N ATOM 0 H LYS A 875 -10.335 -2.152 -3.927 1.00 0.00 H new ATOM 0 HA LYS A 875 -12.515 -1.259 -5.546 1.00 0.00 H new ATOM 0 HB2 LYS A 875 -10.573 -3.542 -5.485 1.00 0.00 H new ATOM 0 HB3 LYS A 875 -12.047 -3.772 -6.404 1.00 0.00 H new ATOM 0 HG2 LYS A 875 -11.386 -2.374 -8.062 1.00 0.00 H new ATOM 0 HG3 LYS A 875 -10.748 -1.183 -6.945 1.00 0.00 H new ATOM 0 HD2 LYS A 875 -8.631 -2.033 -7.033 1.00 0.00 H new ATOM 0 HD3 LYS A 875 -9.185 -3.696 -7.029 1.00 0.00 H new ATOM 0 HE2 LYS A 875 -9.728 -2.079 -9.493 1.00 0.00 H new ATOM 0 HE3 LYS A 875 -8.065 -2.539 -9.189 1.00 0.00 H new ATOM 0 HZ1 LYS A 875 -9.195 -4.179 -10.535 1.00 0.00 H new ATOM 0 HZ2 LYS A 875 -8.761 -4.855 -9.039 1.00 0.00 H new ATOM 0 HZ3 LYS A 875 -10.373 -4.410 -9.333 1.00 0.00 H new ATOM 1805 N GLY A 876 -13.060 -3.523 -3.275 1.00 0.00 N ATOM 1806 CA GLY A 876 -14.100 -4.286 -2.615 1.00 0.00 C ATOM 1807 C GLY A 876 -15.119 -3.399 -1.931 1.00 0.00 C ATOM 1808 O GLY A 876 -16.267 -3.794 -1.736 1.00 0.00 O ATOM 0 H GLY A 876 -12.165 -3.507 -2.785 1.00 0.00 H new ATOM 0 HA2 GLY A 876 -14.604 -4.917 -3.347 1.00 0.00 H new ATOM 0 HA3 GLY A 876 -13.648 -4.951 -1.879 1.00 0.00 H new