USER MOD reduce.3.24.130724 H: found=0, std=0, add=582, rem=0, adj=15 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 811 ASN : amide:sc= 0.228 K(o=1.7,f=-0.97!) USER MOD Set 1.2: A 825 GLN : amide:sc= 1.43 K(o=1.7,f=-3.3!) USER MOD Single : A 772 THR OG1 : rot 98:sc= 1.25 USER MOD Single : A 775 THR OG1 : rot 72:sc= 0.761 USER MOD Single : A 776 GLN : amide:sc= -0.0409 X(o=-0.041,f=-0.46) USER MOD Single : A 779 ASN : amide:sc= -0.0888 X(o=-0.089,f=-0.51) USER MOD Single : A 802 THR OG1 : rot -150:sc= 0.0633 USER MOD Single : A 804 THR OG1 : rot 180:sc= 0 USER MOD Single : A 807 THR OG1 : rot 73:sc= 1.25 USER MOD Single : A 809 THR OG1 : rot 83:sc= 1.21 USER MOD Single : A 814 SER OG : rot 180:sc= 0.0116 USER MOD Single : A 815 SER OG : rot 180:sc= 0 USER MOD Single : A 816 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 822 MET CE :methyl 163:sc= -0.0998 (180deg=-0.637) USER MOD Single : A 831 GLN : amide:sc= -0.0251 X(o=-0.025,f=-0.15) USER MOD Single : A 833 THR OG1 : rot 89:sc= 0.904 USER MOD Single : A 834 SER OG : rot 180:sc= 0 USER MOD Single : A 838 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 841 LYS NZ :NH3+ 168:sc=-0.00992 (180deg=-0.166) 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 867 THR OG1 : rot 175:sc= -2.82! USER MOD Single : A 869 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 870 MET CE :methyl 165:sc= -2.43 (180deg=-3.6!) USER MOD Single : A 875 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 220 N GLY A 766 -12.806 -2.519 5.826 1.00 0.00 N ATOM 221 CA GLY A 766 -11.784 -3.121 4.996 1.00 0.00 C ATOM 222 C GLY A 766 -10.672 -2.158 4.642 1.00 0.00 C ATOM 223 O GLY A 766 -9.510 -2.386 4.983 1.00 0.00 O ATOM 0 HA2 GLY A 766 -11.362 -3.981 5.515 1.00 0.00 H new ATOM 0 HA3 GLY A 766 -12.240 -3.494 4.079 1.00 0.00 H new ATOM 227 N VAL A 767 -11.038 -1.069 3.972 1.00 0.00 N ATOM 228 CA VAL A 767 -10.061 -0.110 3.464 1.00 0.00 C ATOM 229 C VAL A 767 -9.230 0.492 4.589 1.00 0.00 C ATOM 230 O VAL A 767 -8.019 0.627 4.461 1.00 0.00 O ATOM 231 CB VAL A 767 -10.736 1.026 2.669 1.00 0.00 C ATOM 232 CG1 VAL A 767 -9.711 1.783 1.839 1.00 0.00 C ATOM 233 CG2 VAL A 767 -11.839 0.476 1.782 1.00 0.00 C ATOM 0 H VAL A 767 -12.008 -0.828 3.768 1.00 0.00 H new ATOM 0 HA VAL A 767 -9.404 -0.666 2.795 1.00 0.00 H new ATOM 0 HB VAL A 767 -11.182 1.722 3.380 1.00 0.00 H new ATOM 0 HG11 VAL A 767 -10.208 2.580 1.286 1.00 0.00 H new ATOM 0 HG12 VAL A 767 -8.956 2.214 2.497 1.00 0.00 H new ATOM 0 HG13 VAL A 767 -9.233 1.098 1.138 1.00 0.00 H new ATOM 0 HG21 VAL A 767 -12.303 1.293 1.229 1.00 0.00 H new ATOM 0 HG22 VAL A 767 -11.417 -0.243 1.080 1.00 0.00 H new ATOM 0 HG23 VAL A 767 -12.590 -0.017 2.399 1.00 0.00 H new ATOM 243 N GLY A 768 -9.882 0.833 5.695 1.00 0.00 N ATOM 244 CA GLY A 768 -9.181 1.427 6.820 1.00 0.00 C ATOM 245 C GLY A 768 -8.056 0.546 7.333 1.00 0.00 C ATOM 246 O GLY A 768 -6.933 1.013 7.538 1.00 0.00 O ATOM 0 H GLY A 768 -10.885 0.709 5.833 1.00 0.00 H new ATOM 0 HA2 GLY A 768 -8.775 2.393 6.522 1.00 0.00 H new ATOM 0 HA3 GLY A 768 -9.889 1.614 7.627 1.00 0.00 H new ATOM 250 N ALA A 769 -8.353 -0.732 7.519 1.00 0.00 N ATOM 251 CA ALA A 769 -7.368 -1.683 8.013 1.00 0.00 C ATOM 252 C ALA A 769 -6.269 -1.924 6.981 1.00 0.00 C ATOM 253 O ALA A 769 -5.084 -1.959 7.320 1.00 0.00 O ATOM 254 CB ALA A 769 -8.043 -2.995 8.386 1.00 0.00 C ATOM 0 H ALA A 769 -9.272 -1.135 7.334 1.00 0.00 H new ATOM 0 HA ALA A 769 -6.905 -1.259 8.904 1.00 0.00 H new ATOM 0 HB1 ALA A 769 -7.295 -3.697 8.754 1.00 0.00 H new ATOM 0 HB2 ALA A 769 -8.785 -2.814 9.164 1.00 0.00 H new ATOM 0 HB3 ALA A 769 -8.533 -3.414 7.508 1.00 0.00 H new ATOM 260 N ALA A 770 -6.666 -2.073 5.722 1.00 0.00 N ATOM 261 CA ALA A 770 -5.720 -2.347 4.645 1.00 0.00 C ATOM 262 C ALA A 770 -4.804 -1.153 4.388 1.00 0.00 C ATOM 263 O ALA A 770 -3.598 -1.313 4.200 1.00 0.00 O ATOM 264 CB ALA A 770 -6.466 -2.725 3.376 1.00 0.00 C ATOM 0 H ALA A 770 -7.638 -2.009 5.421 1.00 0.00 H new ATOM 0 HA ALA A 770 -5.094 -3.184 4.953 1.00 0.00 H new ATOM 0 HB1 ALA A 770 -5.750 -2.927 2.579 1.00 0.00 H new ATOM 0 HB2 ALA A 770 -7.067 -3.616 3.559 1.00 0.00 H new ATOM 0 HB3 ALA A 770 -7.117 -1.903 3.078 1.00 0.00 H new ATOM 270 N ALA A 771 -5.383 0.042 4.386 1.00 0.00 N ATOM 271 CA ALA A 771 -4.624 1.266 4.168 1.00 0.00 C ATOM 272 C ALA A 771 -3.576 1.454 5.260 1.00 0.00 C ATOM 273 O ALA A 771 -2.423 1.798 4.986 1.00 0.00 O ATOM 274 CB ALA A 771 -5.559 2.465 4.117 1.00 0.00 C ATOM 0 H ALA A 771 -6.381 0.189 4.534 1.00 0.00 H new ATOM 0 HA ALA A 771 -4.108 1.184 3.211 1.00 0.00 H new ATOM 0 HB1 ALA A 771 -4.978 3.373 3.954 1.00 0.00 H new ATOM 0 HB2 ALA A 771 -6.270 2.337 3.301 1.00 0.00 H new ATOM 0 HB3 ALA A 771 -6.100 2.545 5.060 1.00 0.00 H new ATOM 280 N THR A 772 -3.978 1.206 6.500 1.00 0.00 N ATOM 281 CA THR A 772 -3.071 1.324 7.629 1.00 0.00 C ATOM 282 C THR A 772 -1.964 0.273 7.551 1.00 0.00 C ATOM 283 O THR A 772 -0.821 0.537 7.925 1.00 0.00 O ATOM 284 CB THR A 772 -3.822 1.194 8.965 1.00 0.00 C ATOM 285 OG1 THR A 772 -4.963 2.068 8.970 1.00 0.00 O ATOM 286 CG2 THR A 772 -2.914 1.536 10.137 1.00 0.00 C ATOM 0 H THR A 772 -4.926 0.922 6.747 1.00 0.00 H new ATOM 0 HA THR A 772 -2.620 2.315 7.582 1.00 0.00 H new ATOM 0 HB THR A 772 -4.150 0.160 9.072 1.00 0.00 H new ATOM 0 HG1 THR A 772 -5.765 1.560 8.728 1.00 0.00 H new ATOM 0 HG21 THR A 772 -3.470 1.436 11.069 1.00 0.00 H new ATOM 0 HG22 THR A 772 -2.062 0.856 10.148 1.00 0.00 H new ATOM 0 HG23 THR A 772 -2.559 2.561 10.035 1.00 0.00 H new ATOM 294 N ALA A 773 -2.303 -0.908 7.039 1.00 0.00 N ATOM 295 CA ALA A 773 -1.324 -1.974 6.860 1.00 0.00 C ATOM 296 C ALA A 773 -0.197 -1.517 5.940 1.00 0.00 C ATOM 297 O ALA A 773 0.978 -1.756 6.215 1.00 0.00 O ATOM 298 CB ALA A 773 -1.993 -3.222 6.305 1.00 0.00 C ATOM 0 H ALA A 773 -3.248 -1.150 6.741 1.00 0.00 H new ATOM 0 HA ALA A 773 -0.896 -2.216 7.833 1.00 0.00 H new ATOM 0 HB1 ALA A 773 -1.248 -4.008 6.177 1.00 0.00 H new ATOM 0 HB2 ALA A 773 -2.763 -3.561 6.998 1.00 0.00 H new ATOM 0 HB3 ALA A 773 -2.448 -2.993 5.341 1.00 0.00 H new ATOM 304 N VAL A 774 -0.566 -0.844 4.855 1.00 0.00 N ATOM 305 CA VAL A 774 0.412 -0.280 3.934 1.00 0.00 C ATOM 306 C VAL A 774 1.239 0.792 4.633 1.00 0.00 C ATOM 307 O VAL A 774 2.462 0.824 4.510 1.00 0.00 O ATOM 308 CB VAL A 774 -0.267 0.333 2.691 1.00 0.00 C ATOM 309 CG1 VAL A 774 0.762 0.940 1.749 1.00 0.00 C ATOM 310 CG2 VAL A 774 -1.091 -0.717 1.972 1.00 0.00 C ATOM 0 H VAL A 774 -1.537 -0.676 4.592 1.00 0.00 H new ATOM 0 HA VAL A 774 1.060 -1.094 3.609 1.00 0.00 H new ATOM 0 HB VAL A 774 -0.929 1.132 3.024 1.00 0.00 H new ATOM 0 HG11 VAL A 774 0.256 1.365 0.882 1.00 0.00 H new ATOM 0 HG12 VAL A 774 1.312 1.725 2.268 1.00 0.00 H new ATOM 0 HG13 VAL A 774 1.456 0.166 1.421 1.00 0.00 H new ATOM 0 HG21 VAL A 774 -1.565 -0.272 1.097 1.00 0.00 H new ATOM 0 HG22 VAL A 774 -0.443 -1.535 1.657 1.00 0.00 H new ATOM 0 HG23 VAL A 774 -1.859 -1.100 2.644 1.00 0.00 H new ATOM 320 N THR A 775 0.559 1.647 5.386 1.00 0.00 N ATOM 321 CA THR A 775 1.217 2.717 6.122 1.00 0.00 C ATOM 322 C THR A 775 2.266 2.155 7.086 1.00 0.00 C ATOM 323 O THR A 775 3.400 2.632 7.130 1.00 0.00 O ATOM 324 CB THR A 775 0.189 3.560 6.907 1.00 0.00 C ATOM 325 OG1 THR A 775 -0.909 3.916 6.051 1.00 0.00 O ATOM 326 CG2 THR A 775 0.830 4.823 7.464 1.00 0.00 C ATOM 0 H THR A 775 -0.454 1.619 5.503 1.00 0.00 H new ATOM 0 HA THR A 775 1.715 3.357 5.394 1.00 0.00 H new ATOM 0 HB THR A 775 -0.176 2.960 7.741 1.00 0.00 H new ATOM 0 HG1 THR A 775 -1.453 3.121 5.870 1.00 0.00 H new ATOM 0 HG21 THR A 775 0.084 5.398 8.012 1.00 0.00 H new ATOM 0 HG22 THR A 775 1.645 4.552 8.136 1.00 0.00 H new ATOM 0 HG23 THR A 775 1.221 5.425 6.644 1.00 0.00 H new ATOM 334 N GLN A 776 1.888 1.121 7.831 1.00 0.00 N ATOM 335 CA GLN A 776 2.787 0.502 8.800 1.00 0.00 C ATOM 336 C GLN A 776 3.940 -0.222 8.104 1.00 0.00 C ATOM 337 O GLN A 776 5.088 -0.148 8.549 1.00 0.00 O ATOM 338 CB GLN A 776 2.017 -0.476 9.688 1.00 0.00 C ATOM 339 CG GLN A 776 1.177 0.210 10.753 1.00 0.00 C ATOM 340 CD GLN A 776 0.184 -0.727 11.408 1.00 0.00 C ATOM 341 OE1 GLN A 776 -0.768 -1.188 10.775 1.00 0.00 O ATOM 342 NE2 GLN A 776 0.397 -1.020 12.680 1.00 0.00 N ATOM 0 H GLN A 776 0.963 0.693 7.782 1.00 0.00 H new ATOM 0 HA GLN A 776 3.207 1.294 9.419 1.00 0.00 H new ATOM 0 HB2 GLN A 776 1.368 -1.089 9.063 1.00 0.00 H new ATOM 0 HB3 GLN A 776 2.724 -1.150 10.172 1.00 0.00 H new ATOM 0 HG2 GLN A 776 1.835 0.627 11.516 1.00 0.00 H new ATOM 0 HG3 GLN A 776 0.640 1.046 10.304 1.00 0.00 H new ATOM 0 HE21 GLN A 776 1.197 -0.618 13.169 1.00 0.00 H new ATOM 0 HE22 GLN A 776 -0.238 -1.648 13.172 1.00 0.00 H new ATOM 351 N ALA A 777 3.629 -0.917 7.012 1.00 0.00 N ATOM 352 CA ALA A 777 4.642 -1.638 6.249 1.00 0.00 C ATOM 353 C ALA A 777 5.644 -0.669 5.630 1.00 0.00 C ATOM 354 O ALA A 777 6.855 -0.889 5.681 1.00 0.00 O ATOM 355 CB ALA A 777 3.990 -2.490 5.166 1.00 0.00 C ATOM 0 H ALA A 777 2.684 -0.995 6.637 1.00 0.00 H new ATOM 0 HA ALA A 777 5.178 -2.296 6.933 1.00 0.00 H new ATOM 0 HB1 ALA A 777 4.761 -3.020 4.607 1.00 0.00 H new ATOM 0 HB2 ALA A 777 3.315 -3.211 5.627 1.00 0.00 H new ATOM 0 HB3 ALA A 777 3.427 -1.848 4.488 1.00 0.00 H new ATOM 361 N LEU A 778 5.127 0.411 5.059 1.00 0.00 N ATOM 362 CA LEU A 778 5.962 1.427 4.440 1.00 0.00 C ATOM 363 C LEU A 778 6.813 2.135 5.484 1.00 0.00 C ATOM 364 O LEU A 778 7.999 2.386 5.265 1.00 0.00 O ATOM 365 CB LEU A 778 5.099 2.445 3.702 1.00 0.00 C ATOM 366 CG LEU A 778 5.864 3.368 2.762 1.00 0.00 C ATOM 367 CD1 LEU A 778 5.666 2.937 1.321 1.00 0.00 C ATOM 368 CD2 LEU A 778 5.419 4.807 2.959 1.00 0.00 C ATOM 0 H LEU A 778 4.127 0.605 5.013 1.00 0.00 H new ATOM 0 HA LEU A 778 6.622 0.934 3.726 1.00 0.00 H new ATOM 0 HB2 LEU A 778 4.342 1.911 3.128 1.00 0.00 H new ATOM 0 HB3 LEU A 778 4.571 3.053 4.436 1.00 0.00 H new ATOM 0 HG LEU A 778 6.927 3.302 2.995 1.00 0.00 H new ATOM 0 HD11 LEU A 778 6.219 3.606 0.662 1.00 0.00 H new ATOM 0 HD12 LEU A 778 6.031 1.918 1.193 1.00 0.00 H new ATOM 0 HD13 LEU A 778 4.606 2.977 1.072 1.00 0.00 H new ATOM 0 HD21 LEU A 778 5.974 5.455 2.281 1.00 0.00 H new ATOM 0 HD22 LEU A 778 4.353 4.890 2.749 1.00 0.00 H new ATOM 0 HD23 LEU A 778 5.611 5.109 3.988 1.00 0.00 H new ATOM 380 N ASN A 779 6.200 2.450 6.620 1.00 0.00 N ATOM 381 CA ASN A 779 6.900 3.109 7.718 1.00 0.00 C ATOM 382 C ASN A 779 8.086 2.270 8.173 1.00 0.00 C ATOM 383 O ASN A 779 9.145 2.802 8.493 1.00 0.00 O ATOM 384 CB ASN A 779 5.952 3.348 8.896 1.00 0.00 C ATOM 385 CG ASN A 779 5.727 4.823 9.172 1.00 0.00 C ATOM 386 OD1 ASN A 779 6.651 5.634 9.085 1.00 0.00 O ATOM 387 ND2 ASN A 779 4.499 5.180 9.512 1.00 0.00 N ATOM 0 H ASN A 779 5.215 2.259 6.805 1.00 0.00 H new ATOM 0 HA ASN A 779 7.264 4.072 7.359 1.00 0.00 H new ATOM 0 HB2 ASN A 779 4.994 2.870 8.690 1.00 0.00 H new ATOM 0 HB3 ASN A 779 6.360 2.873 9.788 1.00 0.00 H new ATOM 0 HD21 ASN A 779 4.289 6.158 9.713 1.00 0.00 H new ATOM 0 HD22 ASN A 779 3.762 4.477 9.573 1.00 0.00 H new ATOM 394 N GLU A 780 7.900 0.957 8.175 1.00 0.00 N ATOM 395 CA GLU A 780 8.952 0.027 8.560 1.00 0.00 C ATOM 396 C GLU A 780 10.160 0.168 7.640 1.00 0.00 C ATOM 397 O GLU A 780 11.292 0.351 8.097 1.00 0.00 O ATOM 398 CB GLU A 780 8.426 -1.410 8.500 1.00 0.00 C ATOM 399 CG GLU A 780 9.376 -2.436 9.097 1.00 0.00 C ATOM 400 CD GLU A 780 9.380 -2.415 10.610 1.00 0.00 C ATOM 401 OE1 GLU A 780 8.299 -2.221 11.208 1.00 0.00 O ATOM 402 OE2 GLU A 780 10.463 -2.591 11.209 1.00 0.00 O ATOM 0 H GLU A 780 7.022 0.509 7.912 1.00 0.00 H new ATOM 0 HA GLU A 780 9.260 0.260 9.579 1.00 0.00 H new ATOM 0 HB2 GLU A 780 7.473 -1.461 9.027 1.00 0.00 H new ATOM 0 HB3 GLU A 780 8.229 -1.672 7.460 1.00 0.00 H new ATOM 0 HG2 GLU A 780 9.094 -3.431 8.752 1.00 0.00 H new ATOM 0 HG3 GLU A 780 10.385 -2.246 8.732 1.00 0.00 H new ATOM 409 N LEU A 781 9.901 0.100 6.343 1.00 0.00 N ATOM 410 CA LEU A 781 10.956 0.147 5.344 1.00 0.00 C ATOM 411 C LEU A 781 11.607 1.525 5.288 1.00 0.00 C ATOM 412 O LEU A 781 12.818 1.631 5.115 1.00 0.00 O ATOM 413 CB LEU A 781 10.393 -0.218 3.971 1.00 0.00 C ATOM 414 CG LEU A 781 11.402 -0.174 2.825 1.00 0.00 C ATOM 415 CD1 LEU A 781 11.635 -1.568 2.268 1.00 0.00 C ATOM 416 CD2 LEU A 781 10.921 0.770 1.734 1.00 0.00 C ATOM 0 H LEU A 781 8.961 0.011 5.956 1.00 0.00 H new ATOM 0 HA LEU A 781 11.720 -0.577 5.628 1.00 0.00 H new ATOM 0 HB2 LEU A 781 9.970 -1.221 4.024 1.00 0.00 H new ATOM 0 HB3 LEU A 781 9.573 0.462 3.739 1.00 0.00 H new ATOM 0 HG LEU A 781 12.350 0.201 3.209 1.00 0.00 H new ATOM 0 HD11 LEU A 781 12.356 -1.518 1.452 1.00 0.00 H new ATOM 0 HD12 LEU A 781 12.022 -2.215 3.056 1.00 0.00 H new ATOM 0 HD13 LEU A 781 10.694 -1.973 1.896 1.00 0.00 H new ATOM 0 HD21 LEU A 781 11.650 0.791 0.924 1.00 0.00 H new ATOM 0 HD22 LEU A 781 9.962 0.423 1.350 1.00 0.00 H new ATOM 0 HD23 LEU A 781 10.806 1.773 2.145 1.00 0.00 H new ATOM 428 N LEU A 782 10.801 2.571 5.450 1.00 0.00 N ATOM 429 CA LEU A 782 11.285 3.947 5.342 1.00 0.00 C ATOM 430 C LEU A 782 12.472 4.208 6.268 1.00 0.00 C ATOM 431 O LEU A 782 13.527 4.660 5.821 1.00 0.00 O ATOM 432 CB LEU A 782 10.157 4.934 5.652 1.00 0.00 C ATOM 433 CG LEU A 782 9.618 5.701 4.442 1.00 0.00 C ATOM 434 CD1 LEU A 782 8.534 6.679 4.871 1.00 0.00 C ATOM 435 CD2 LEU A 782 10.745 6.432 3.725 1.00 0.00 C ATOM 0 H LEU A 782 9.805 2.493 5.657 1.00 0.00 H new ATOM 0 HA LEU A 782 11.623 4.092 4.316 1.00 0.00 H new ATOM 0 HB2 LEU A 782 9.334 4.389 6.114 1.00 0.00 H new ATOM 0 HB3 LEU A 782 10.516 5.653 6.389 1.00 0.00 H new ATOM 0 HG LEU A 782 9.180 4.984 3.748 1.00 0.00 H new ATOM 0 HD11 LEU A 782 8.162 7.216 3.998 1.00 0.00 H new ATOM 0 HD12 LEU A 782 7.714 6.132 5.337 1.00 0.00 H new ATOM 0 HD13 LEU A 782 8.948 7.391 5.585 1.00 0.00 H new ATOM 0 HD21 LEU A 782 10.342 6.971 2.868 1.00 0.00 H new ATOM 0 HD22 LEU A 782 11.214 7.138 4.410 1.00 0.00 H new ATOM 0 HD23 LEU A 782 11.487 5.711 3.383 1.00 0.00 H new ATOM 701 N ALA A 801 9.384 7.389 -3.821 1.00 0.00 N ATOM 702 CA ALA A 801 8.409 6.331 -4.040 1.00 0.00 C ATOM 703 C ALA A 801 7.587 6.087 -2.783 1.00 0.00 C ATOM 704 O ALA A 801 6.359 6.010 -2.837 1.00 0.00 O ATOM 705 CB ALA A 801 9.110 5.057 -4.475 1.00 0.00 C ATOM 0 HA ALA A 801 7.729 6.644 -4.833 1.00 0.00 H new ATOM 0 HB1 ALA A 801 8.371 4.272 -4.636 1.00 0.00 H new ATOM 0 HB2 ALA A 801 9.654 5.239 -5.402 1.00 0.00 H new ATOM 0 HB3 ALA A 801 9.809 4.744 -3.700 1.00 0.00 H new ATOM 711 N THR A 802 8.270 5.998 -1.647 1.00 0.00 N ATOM 712 CA THR A 802 7.609 5.785 -0.370 1.00 0.00 C ATOM 713 C THR A 802 6.689 6.959 -0.041 1.00 0.00 C ATOM 714 O THR A 802 5.556 6.771 0.405 1.00 0.00 O ATOM 715 CB THR A 802 8.641 5.608 0.759 1.00 0.00 C ATOM 716 OG1 THR A 802 9.832 6.334 0.441 1.00 0.00 O ATOM 717 CG2 THR A 802 8.984 4.140 0.960 1.00 0.00 C ATOM 0 H THR A 802 9.286 6.071 -1.587 1.00 0.00 H new ATOM 0 HA THR A 802 7.015 4.875 -0.450 1.00 0.00 H new ATOM 0 HB THR A 802 8.206 5.992 1.682 1.00 0.00 H new ATOM 0 HG1 THR A 802 10.605 5.886 0.842 1.00 0.00 H new ATOM 0 HG21 THR A 802 9.715 4.044 1.763 1.00 0.00 H new ATOM 0 HG22 THR A 802 8.081 3.588 1.223 1.00 0.00 H new ATOM 0 HG23 THR A 802 9.402 3.735 0.039 1.00 0.00 H new ATOM 725 N ASP A 803 7.181 8.169 -0.288 1.00 0.00 N ATOM 726 CA ASP A 803 6.401 9.383 -0.059 1.00 0.00 C ATOM 727 C ASP A 803 5.155 9.398 -0.938 1.00 0.00 C ATOM 728 O ASP A 803 4.075 9.799 -0.498 1.00 0.00 O ATOM 729 CB ASP A 803 7.248 10.624 -0.340 1.00 0.00 C ATOM 730 CG ASP A 803 6.919 11.771 0.592 1.00 0.00 C ATOM 731 OD1 ASP A 803 5.794 12.303 0.520 1.00 0.00 O ATOM 732 OD2 ASP A 803 7.791 12.152 1.404 1.00 0.00 O ATOM 0 H ASP A 803 8.120 8.336 -0.648 1.00 0.00 H new ATOM 0 HA ASP A 803 6.092 9.393 0.986 1.00 0.00 H new ATOM 0 HB2 ASP A 803 8.303 10.370 -0.241 1.00 0.00 H new ATOM 0 HB3 ASP A 803 7.092 10.941 -1.371 1.00 0.00 H new ATOM 737 N THR A 804 5.312 8.951 -2.179 1.00 0.00 N ATOM 738 CA THR A 804 4.195 8.846 -3.108 1.00 0.00 C ATOM 739 C THR A 804 3.124 7.915 -2.550 1.00 0.00 C ATOM 740 O THR A 804 1.947 8.269 -2.498 1.00 0.00 O ATOM 741 CB THR A 804 4.660 8.329 -4.486 1.00 0.00 C ATOM 742 OG1 THR A 804 5.760 9.117 -4.960 1.00 0.00 O ATOM 743 CG2 THR A 804 3.525 8.377 -5.500 1.00 0.00 C ATOM 0 H THR A 804 6.208 8.654 -2.566 1.00 0.00 H new ATOM 0 HA THR A 804 3.777 9.845 -3.235 1.00 0.00 H new ATOM 0 HB THR A 804 4.976 7.292 -4.369 1.00 0.00 H new ATOM 0 HG1 THR A 804 6.050 8.781 -5.834 1.00 0.00 H new ATOM 0 HG21 THR A 804 3.880 8.007 -6.462 1.00 0.00 H new ATOM 0 HG22 THR A 804 2.701 7.753 -5.154 1.00 0.00 H new ATOM 0 HG23 THR A 804 3.180 9.405 -5.612 1.00 0.00 H new ATOM 751 N ILE A 805 3.547 6.733 -2.111 1.00 0.00 N ATOM 752 CA ILE A 805 2.634 5.756 -1.534 1.00 0.00 C ATOM 753 C ILE A 805 1.927 6.333 -0.315 1.00 0.00 C ATOM 754 O ILE A 805 0.703 6.275 -0.217 1.00 0.00 O ATOM 755 CB ILE A 805 3.375 4.464 -1.137 1.00 0.00 C ATOM 756 CG1 ILE A 805 3.757 3.680 -2.386 1.00 0.00 C ATOM 757 CG2 ILE A 805 2.529 3.603 -0.206 1.00 0.00 C ATOM 758 CD1 ILE A 805 5.141 3.091 -2.313 1.00 0.00 C ATOM 0 H ILE A 805 4.520 6.430 -2.145 1.00 0.00 H new ATOM 0 HA ILE A 805 1.893 5.512 -2.296 1.00 0.00 H new ATOM 0 HB ILE A 805 4.281 4.742 -0.598 1.00 0.00 H new ATOM 0 HG12 ILE A 805 3.035 2.878 -2.539 1.00 0.00 H new ATOM 0 HG13 ILE A 805 3.693 4.337 -3.254 1.00 0.00 H new ATOM 0 HG21 ILE A 805 3.080 2.700 0.055 1.00 0.00 H new ATOM 0 HG22 ILE A 805 2.301 4.163 0.701 1.00 0.00 H new ATOM 0 HG23 ILE A 805 1.600 3.329 -0.707 1.00 0.00 H new ATOM 0 HD11 ILE A 805 5.353 2.545 -3.232 1.00 0.00 H new ATOM 0 HD12 ILE A 805 5.871 3.891 -2.189 1.00 0.00 H new ATOM 0 HD13 ILE A 805 5.202 2.410 -1.464 1.00 0.00 H new ATOM 770 N LEU A 806 2.705 6.895 0.605 1.00 0.00 N ATOM 771 CA LEU A 806 2.148 7.518 1.803 1.00 0.00 C ATOM 772 C LEU A 806 1.079 8.539 1.434 1.00 0.00 C ATOM 773 O LEU A 806 -0.020 8.519 1.982 1.00 0.00 O ATOM 774 CB LEU A 806 3.243 8.194 2.628 1.00 0.00 C ATOM 775 CG LEU A 806 3.539 7.545 3.984 1.00 0.00 C ATOM 776 CD1 LEU A 806 4.173 8.553 4.926 1.00 0.00 C ATOM 777 CD2 LEU A 806 2.272 6.968 4.600 1.00 0.00 C ATOM 0 H LEU A 806 3.723 6.932 0.545 1.00 0.00 H new ATOM 0 HA LEU A 806 1.693 6.730 2.403 1.00 0.00 H new ATOM 0 HB2 LEU A 806 4.162 8.205 2.041 1.00 0.00 H new ATOM 0 HB3 LEU A 806 2.959 9.233 2.796 1.00 0.00 H new ATOM 0 HG LEU A 806 4.241 6.727 3.822 1.00 0.00 H new ATOM 0 HD11 LEU A 806 4.377 8.077 5.885 1.00 0.00 H new ATOM 0 HD12 LEU A 806 5.106 8.917 4.495 1.00 0.00 H new ATOM 0 HD13 LEU A 806 3.492 9.391 5.075 1.00 0.00 H new ATOM 0 HD21 LEU A 806 2.509 6.513 5.562 1.00 0.00 H new ATOM 0 HD22 LEU A 806 1.543 7.765 4.746 1.00 0.00 H new ATOM 0 HD23 LEU A 806 1.855 6.212 3.934 1.00 0.00 H new ATOM 789 N THR A 807 1.403 9.412 0.486 1.00 0.00 N ATOM 790 CA THR A 807 0.467 10.429 0.026 1.00 0.00 C ATOM 791 C THR A 807 -0.798 9.795 -0.552 1.00 0.00 C ATOM 792 O THR A 807 -1.906 10.205 -0.223 1.00 0.00 O ATOM 793 CB THR A 807 1.114 11.341 -1.037 1.00 0.00 C ATOM 794 OG1 THR A 807 2.347 11.877 -0.534 1.00 0.00 O ATOM 795 CG2 THR A 807 0.179 12.479 -1.423 1.00 0.00 C ATOM 0 H THR A 807 2.310 9.435 0.020 1.00 0.00 H new ATOM 0 HA THR A 807 0.197 11.031 0.893 1.00 0.00 H new ATOM 0 HB THR A 807 1.311 10.742 -1.926 1.00 0.00 H new ATOM 0 HG1 THR A 807 3.025 11.170 -0.510 1.00 0.00 H new ATOM 0 HG21 THR A 807 0.660 13.106 -2.174 1.00 0.00 H new ATOM 0 HG22 THR A 807 -0.745 12.069 -1.831 1.00 0.00 H new ATOM 0 HG23 THR A 807 -0.049 13.078 -0.541 1.00 0.00 H new ATOM 803 N VAL A 808 -0.627 8.784 -1.394 1.00 0.00 N ATOM 804 CA VAL A 808 -1.755 8.115 -2.037 1.00 0.00 C ATOM 805 C VAL A 808 -2.643 7.409 -1.010 1.00 0.00 C ATOM 806 O VAL A 808 -3.865 7.551 -1.036 1.00 0.00 O ATOM 807 CB VAL A 808 -1.266 7.100 -3.095 1.00 0.00 C ATOM 808 CG1 VAL A 808 -2.374 6.138 -3.488 1.00 0.00 C ATOM 809 CG2 VAL A 808 -0.732 7.826 -4.321 1.00 0.00 C ATOM 0 H VAL A 808 0.285 8.407 -1.650 1.00 0.00 H new ATOM 0 HA VAL A 808 -2.347 8.884 -2.534 1.00 0.00 H new ATOM 0 HB VAL A 808 -0.458 6.518 -2.653 1.00 0.00 H new ATOM 0 HG11 VAL A 808 -1.999 5.437 -4.233 1.00 0.00 H new ATOM 0 HG12 VAL A 808 -2.708 5.588 -2.608 1.00 0.00 H new ATOM 0 HG13 VAL A 808 -3.211 6.698 -3.905 1.00 0.00 H new ATOM 0 HG21 VAL A 808 -0.392 7.097 -5.056 1.00 0.00 H new ATOM 0 HG22 VAL A 808 -1.523 8.437 -4.755 1.00 0.00 H new ATOM 0 HG23 VAL A 808 0.102 8.465 -4.031 1.00 0.00 H new ATOM 819 N THR A 809 -2.032 6.658 -0.101 1.00 0.00 N ATOM 820 CA THR A 809 -2.787 5.970 0.941 1.00 0.00 C ATOM 821 C THR A 809 -3.487 6.980 1.849 1.00 0.00 C ATOM 822 O THR A 809 -4.642 6.790 2.236 1.00 0.00 O ATOM 823 CB THR A 809 -1.882 5.046 1.781 1.00 0.00 C ATOM 824 OG1 THR A 809 -0.847 4.491 0.956 1.00 0.00 O ATOM 825 CG2 THR A 809 -2.690 3.917 2.396 1.00 0.00 C ATOM 0 H THR A 809 -1.023 6.510 -0.063 1.00 0.00 H new ATOM 0 HA THR A 809 -3.537 5.351 0.448 1.00 0.00 H new ATOM 0 HB THR A 809 -1.437 5.640 2.580 1.00 0.00 H new ATOM 0 HG1 THR A 809 -0.114 5.136 0.872 1.00 0.00 H new ATOM 0 HG21 THR A 809 -2.032 3.277 2.984 1.00 0.00 H new ATOM 0 HG22 THR A 809 -3.464 4.333 3.041 1.00 0.00 H new ATOM 0 HG23 THR A 809 -3.155 3.329 1.605 1.00 0.00 H new ATOM 833 N GLU A 810 -2.787 8.067 2.159 1.00 0.00 N ATOM 834 CA GLU A 810 -3.359 9.161 2.930 1.00 0.00 C ATOM 835 C GLU A 810 -4.521 9.791 2.159 1.00 0.00 C ATOM 836 O GLU A 810 -5.539 10.164 2.737 1.00 0.00 O ATOM 837 CB GLU A 810 -2.272 10.201 3.239 1.00 0.00 C ATOM 838 CG GLU A 810 -2.787 11.621 3.396 1.00 0.00 C ATOM 839 CD GLU A 810 -2.461 12.208 4.750 1.00 0.00 C ATOM 840 OE1 GLU A 810 -1.323 12.680 4.943 1.00 0.00 O ATOM 841 OE2 GLU A 810 -3.344 12.197 5.633 1.00 0.00 O ATOM 0 H GLU A 810 -1.815 8.212 1.885 1.00 0.00 H new ATOM 0 HA GLU A 810 -3.746 8.778 3.874 1.00 0.00 H new ATOM 0 HB2 GLU A 810 -1.759 9.910 4.156 1.00 0.00 H new ATOM 0 HB3 GLU A 810 -1.531 10.183 2.440 1.00 0.00 H new ATOM 0 HG2 GLU A 810 -2.354 12.249 2.617 1.00 0.00 H new ATOM 0 HG3 GLU A 810 -3.867 11.631 3.250 1.00 0.00 H new ATOM 848 N ASN A 811 -4.357 9.880 0.845 1.00 0.00 N ATOM 849 CA ASN A 811 -5.388 10.411 -0.040 1.00 0.00 C ATOM 850 C ASN A 811 -6.652 9.568 0.039 1.00 0.00 C ATOM 851 O ASN A 811 -7.759 10.100 0.087 1.00 0.00 O ATOM 852 CB ASN A 811 -4.875 10.439 -1.483 1.00 0.00 C ATOM 853 CG ASN A 811 -4.150 11.720 -1.827 1.00 0.00 C ATOM 854 OD1 ASN A 811 -4.135 12.678 -1.050 1.00 0.00 O ATOM 855 ND2 ASN A 811 -3.540 11.746 -2.999 1.00 0.00 N ATOM 0 H ASN A 811 -3.507 9.587 0.363 1.00 0.00 H new ATOM 0 HA ASN A 811 -5.626 11.426 0.280 1.00 0.00 H new ATOM 0 HB2 ASN A 811 -4.204 9.595 -1.641 1.00 0.00 H new ATOM 0 HB3 ASN A 811 -5.716 10.310 -2.164 1.00 0.00 H new ATOM 0 HD21 ASN A 811 -3.032 12.581 -3.291 1.00 0.00 H new ATOM 0 HD22 ASN A 811 -3.577 10.931 -3.612 1.00 0.00 H new ATOM 862 N ILE A 812 -6.477 8.249 0.057 1.00 0.00 N ATOM 863 CA ILE A 812 -7.599 7.325 0.177 1.00 0.00 C ATOM 864 C ILE A 812 -8.305 7.515 1.520 1.00 0.00 C ATOM 865 O ILE A 812 -9.529 7.443 1.601 1.00 0.00 O ATOM 866 CB ILE A 812 -7.139 5.853 0.022 1.00 0.00 C ATOM 867 CG1 ILE A 812 -6.839 5.546 -1.447 1.00 0.00 C ATOM 868 CG2 ILE A 812 -8.189 4.887 0.554 1.00 0.00 C ATOM 869 CD1 ILE A 812 -5.501 4.878 -1.669 1.00 0.00 C ATOM 0 H ILE A 812 -5.566 7.796 -0.010 1.00 0.00 H new ATOM 0 HA ILE A 812 -8.299 7.547 -0.629 1.00 0.00 H new ATOM 0 HB ILE A 812 -6.230 5.721 0.609 1.00 0.00 H new ATOM 0 HG12 ILE A 812 -7.626 4.903 -1.842 1.00 0.00 H new ATOM 0 HG13 ILE A 812 -6.870 6.475 -2.016 1.00 0.00 H new ATOM 0 HG21 ILE A 812 -7.837 3.863 0.431 1.00 0.00 H new ATOM 0 HG22 ILE A 812 -8.364 5.086 1.611 1.00 0.00 H new ATOM 0 HG23 ILE A 812 -9.119 5.020 0.001 1.00 0.00 H new ATOM 0 HD11 ILE A 812 -5.359 4.692 -2.734 1.00 0.00 H new ATOM 0 HD12 ILE A 812 -4.705 5.528 -1.305 1.00 0.00 H new ATOM 0 HD13 ILE A 812 -5.473 3.932 -1.128 1.00 0.00 H new ATOM 881 N PHE A 813 -7.522 7.772 2.564 1.00 0.00 N ATOM 882 CA PHE A 813 -8.072 8.053 3.886 1.00 0.00 C ATOM 883 C PHE A 813 -8.970 9.286 3.835 1.00 0.00 C ATOM 884 O PHE A 813 -10.082 9.287 4.367 1.00 0.00 O ATOM 885 CB PHE A 813 -6.947 8.290 4.897 1.00 0.00 C ATOM 886 CG PHE A 813 -6.397 7.038 5.518 1.00 0.00 C ATOM 887 CD1 PHE A 813 -7.242 6.085 6.065 1.00 0.00 C ATOM 888 CD2 PHE A 813 -5.030 6.820 5.561 1.00 0.00 C ATOM 889 CE1 PHE A 813 -6.731 4.938 6.643 1.00 0.00 C ATOM 890 CE2 PHE A 813 -4.514 5.678 6.138 1.00 0.00 C ATOM 891 CZ PHE A 813 -5.364 4.735 6.679 1.00 0.00 C ATOM 0 H PHE A 813 -6.503 7.791 2.520 1.00 0.00 H new ATOM 0 HA PHE A 813 -8.659 7.189 4.199 1.00 0.00 H new ATOM 0 HB2 PHE A 813 -6.135 8.822 4.401 1.00 0.00 H new ATOM 0 HB3 PHE A 813 -7.318 8.941 5.689 1.00 0.00 H new ATOM 0 HD1 PHE A 813 -8.310 6.240 6.039 1.00 0.00 H new ATOM 0 HD2 PHE A 813 -4.360 7.553 5.138 1.00 0.00 H new ATOM 0 HE1 PHE A 813 -7.399 4.202 7.066 1.00 0.00 H new ATOM 0 HE2 PHE A 813 -3.446 5.522 6.166 1.00 0.00 H new ATOM 0 HZ PHE A 813 -4.962 3.840 7.130 1.00 0.00 H new ATOM 901 N SER A 814 -8.475 10.335 3.192 1.00 0.00 N ATOM 902 CA SER A 814 -9.219 11.577 3.055 1.00 0.00 C ATOM 903 C SER A 814 -10.448 11.389 2.164 1.00 0.00 C ATOM 904 O SER A 814 -11.558 11.761 2.537 1.00 0.00 O ATOM 905 CB SER A 814 -8.306 12.663 2.486 1.00 0.00 C ATOM 906 OG SER A 814 -6.998 12.559 3.027 1.00 0.00 O ATOM 0 H SER A 814 -7.554 10.348 2.754 1.00 0.00 H new ATOM 0 HA SER A 814 -9.569 11.882 4.041 1.00 0.00 H new ATOM 0 HB2 SER A 814 -8.263 12.576 1.400 1.00 0.00 H new ATOM 0 HB3 SER A 814 -8.720 13.646 2.711 1.00 0.00 H new ATOM 0 HG SER A 814 -6.430 13.262 2.648 1.00 0.00 H new ATOM 912 N SER A 815 -10.251 10.786 0.998 1.00 0.00 N ATOM 913 CA SER A 815 -11.341 10.577 0.053 1.00 0.00 C ATOM 914 C SER A 815 -12.062 9.250 0.311 1.00 0.00 C ATOM 915 O SER A 815 -12.566 8.619 -0.616 1.00 0.00 O ATOM 916 CB SER A 815 -10.805 10.612 -1.382 1.00 0.00 C ATOM 917 OG SER A 815 -10.062 11.800 -1.627 1.00 0.00 O ATOM 0 H SER A 815 -9.347 10.433 0.684 1.00 0.00 H new ATOM 0 HA SER A 815 -12.062 11.382 0.191 1.00 0.00 H new ATOM 0 HB2 SER A 815 -10.172 9.742 -1.557 1.00 0.00 H new ATOM 0 HB3 SER A 815 -11.636 10.549 -2.085 1.00 0.00 H new ATOM 0 HG SER A 815 -9.731 11.794 -2.549 1.00 0.00 H new ATOM 923 N MET A 816 -12.109 8.835 1.573 1.00 0.00 N ATOM 924 CA MET A 816 -12.791 7.602 1.952 1.00 0.00 C ATOM 925 C MET A 816 -14.295 7.747 1.761 1.00 0.00 C ATOM 926 O MET A 816 -14.976 8.410 2.546 1.00 0.00 O ATOM 927 CB MET A 816 -12.478 7.242 3.403 1.00 0.00 C ATOM 928 CG MET A 816 -12.558 5.754 3.692 1.00 0.00 C ATOM 929 SD MET A 816 -12.339 5.380 5.442 1.00 0.00 S ATOM 930 CE MET A 816 -10.798 4.467 5.394 1.00 0.00 C ATOM 0 H MET A 816 -11.682 9.336 2.352 1.00 0.00 H new ATOM 0 HA MET A 816 -12.432 6.799 1.308 1.00 0.00 H new ATOM 0 HB2 MET A 816 -11.478 7.598 3.649 1.00 0.00 H new ATOM 0 HB3 MET A 816 -13.173 7.768 4.057 1.00 0.00 H new ATOM 0 HG2 MET A 816 -13.524 5.374 3.360 1.00 0.00 H new ATOM 0 HG3 MET A 816 -11.795 5.233 3.114 1.00 0.00 H new ATOM 0 HE1 MET A 816 -10.524 4.163 6.404 1.00 0.00 H new ATOM 0 HE2 MET A 816 -10.919 3.582 4.769 1.00 0.00 H new ATOM 0 HE3 MET A 816 -10.013 5.100 4.980 1.00 0.00 H new ATOM 940 N GLY A 817 -14.799 7.122 0.714 1.00 0.00 N ATOM 941 CA GLY A 817 -16.192 7.261 0.349 1.00 0.00 C ATOM 942 C GLY A 817 -16.320 7.651 -1.103 1.00 0.00 C ATOM 943 O GLY A 817 -17.350 7.425 -1.739 1.00 0.00 O ATOM 0 H GLY A 817 -14.260 6.511 0.100 1.00 0.00 H new ATOM 0 HA2 GLY A 817 -16.716 6.322 0.527 1.00 0.00 H new ATOM 0 HA3 GLY A 817 -16.666 8.015 0.978 1.00 0.00 H new ATOM 947 N ASP A 818 -15.251 8.234 -1.620 1.00 0.00 N ATOM 948 CA ASP A 818 -15.157 8.597 -3.025 1.00 0.00 C ATOM 949 C ASP A 818 -14.696 7.385 -3.826 1.00 0.00 C ATOM 950 O ASP A 818 -13.511 7.247 -4.116 1.00 0.00 O ATOM 951 CB ASP A 818 -14.160 9.746 -3.191 1.00 0.00 C ATOM 952 CG ASP A 818 -14.689 10.893 -4.025 1.00 0.00 C ATOM 953 OD1 ASP A 818 -15.818 10.796 -4.549 1.00 0.00 O ATOM 954 OD2 ASP A 818 -13.973 11.914 -4.145 1.00 0.00 O ATOM 0 H ASP A 818 -14.421 8.470 -1.076 1.00 0.00 H new ATOM 0 HA ASP A 818 -16.132 8.919 -3.389 1.00 0.00 H new ATOM 0 HB2 ASP A 818 -13.884 10.122 -2.206 1.00 0.00 H new ATOM 0 HB3 ASP A 818 -13.250 9.362 -3.652 1.00 0.00 H new ATOM 959 N ALA A 819 -15.642 6.515 -4.169 1.00 0.00 N ATOM 960 CA ALA A 819 -15.341 5.209 -4.764 1.00 0.00 C ATOM 961 C ALA A 819 -14.386 5.304 -5.954 1.00 0.00 C ATOM 962 O ALA A 819 -13.308 4.705 -5.940 1.00 0.00 O ATOM 963 CB ALA A 819 -16.631 4.517 -5.180 1.00 0.00 C ATOM 0 H ALA A 819 -16.639 6.692 -4.044 1.00 0.00 H new ATOM 0 HA ALA A 819 -14.834 4.620 -4.000 1.00 0.00 H new ATOM 0 HB1 ALA A 819 -16.398 3.548 -5.621 1.00 0.00 H new ATOM 0 HB2 ALA A 819 -17.266 4.375 -4.306 1.00 0.00 H new ATOM 0 HB3 ALA A 819 -17.154 5.132 -5.912 1.00 0.00 H new ATOM 969 N GLY A 820 -14.780 6.059 -6.975 1.00 0.00 N ATOM 970 CA GLY A 820 -13.963 6.185 -8.169 1.00 0.00 C ATOM 971 C GLY A 820 -12.587 6.759 -7.883 1.00 0.00 C ATOM 972 O GLY A 820 -11.580 6.245 -8.369 1.00 0.00 O ATOM 0 H GLY A 820 -15.652 6.587 -6.997 1.00 0.00 H new ATOM 0 HA2 GLY A 820 -13.853 5.205 -8.634 1.00 0.00 H new ATOM 0 HA3 GLY A 820 -14.476 6.823 -8.889 1.00 0.00 H new ATOM 976 N GLU A 821 -12.548 7.824 -7.091 1.00 0.00 N ATOM 977 CA GLU A 821 -11.292 8.461 -6.715 1.00 0.00 C ATOM 978 C GLU A 821 -10.416 7.502 -5.914 1.00 0.00 C ATOM 979 O GLU A 821 -9.212 7.409 -6.145 1.00 0.00 O ATOM 980 CB GLU A 821 -11.568 9.725 -5.897 1.00 0.00 C ATOM 981 CG GLU A 821 -10.346 10.599 -5.679 1.00 0.00 C ATOM 982 CD GLU A 821 -9.743 11.099 -6.974 1.00 0.00 C ATOM 983 OE1 GLU A 821 -10.475 11.708 -7.783 1.00 0.00 O ATOM 984 OE2 GLU A 821 -8.533 10.887 -7.190 1.00 0.00 O ATOM 0 H GLU A 821 -13.377 8.267 -6.695 1.00 0.00 H new ATOM 0 HA GLU A 821 -10.760 8.734 -7.626 1.00 0.00 H new ATOM 0 HB2 GLU A 821 -12.336 10.311 -6.402 1.00 0.00 H new ATOM 0 HB3 GLU A 821 -11.973 9.436 -4.927 1.00 0.00 H new ATOM 0 HG2 GLU A 821 -10.621 11.452 -5.059 1.00 0.00 H new ATOM 0 HG3 GLU A 821 -9.594 10.034 -5.128 1.00 0.00 H new ATOM 991 N MET A 822 -11.033 6.785 -4.982 1.00 0.00 N ATOM 992 CA MET A 822 -10.323 5.818 -4.154 1.00 0.00 C ATOM 993 C MET A 822 -9.682 4.744 -5.017 1.00 0.00 C ATOM 994 O MET A 822 -8.511 4.414 -4.840 1.00 0.00 O ATOM 995 CB MET A 822 -11.275 5.172 -3.151 1.00 0.00 C ATOM 996 CG MET A 822 -11.303 5.864 -1.800 1.00 0.00 C ATOM 997 SD MET A 822 -12.725 5.378 -0.805 1.00 0.00 S ATOM 998 CE MET A 822 -12.710 3.605 -1.040 1.00 0.00 C ATOM 0 H MET A 822 -12.030 6.856 -4.780 1.00 0.00 H new ATOM 0 HA MET A 822 -9.541 6.348 -3.610 1.00 0.00 H new ATOM 0 HB2 MET A 822 -12.282 5.170 -3.569 1.00 0.00 H new ATOM 0 HB3 MET A 822 -10.987 4.130 -3.009 1.00 0.00 H new ATOM 0 HG2 MET A 822 -10.387 5.631 -1.257 1.00 0.00 H new ATOM 0 HG3 MET A 822 -11.320 6.944 -1.949 1.00 0.00 H new ATOM 0 HE1 MET A 822 -13.320 3.131 -0.271 1.00 0.00 H new ATOM 0 HE2 MET A 822 -13.115 3.365 -2.023 1.00 0.00 H new ATOM 0 HE3 MET A 822 -11.686 3.237 -0.969 1.00 0.00 H new ATOM 1008 N VAL A 823 -10.453 4.207 -5.955 1.00 0.00 N ATOM 1009 CA VAL A 823 -9.942 3.206 -6.881 1.00 0.00 C ATOM 1010 C VAL A 823 -8.828 3.803 -7.736 1.00 0.00 C ATOM 1011 O VAL A 823 -7.800 3.163 -7.967 1.00 0.00 O ATOM 1012 CB VAL A 823 -11.059 2.652 -7.794 1.00 0.00 C ATOM 1013 CG1 VAL A 823 -10.474 1.931 -9.003 1.00 0.00 C ATOM 1014 CG2 VAL A 823 -11.971 1.723 -7.006 1.00 0.00 C ATOM 0 H VAL A 823 -11.434 4.449 -6.094 1.00 0.00 H new ATOM 0 HA VAL A 823 -9.548 2.380 -6.290 1.00 0.00 H new ATOM 0 HB VAL A 823 -11.648 3.493 -8.160 1.00 0.00 H new ATOM 0 HG11 VAL A 823 -11.283 1.552 -9.627 1.00 0.00 H new ATOM 0 HG12 VAL A 823 -9.865 2.626 -9.581 1.00 0.00 H new ATOM 0 HG13 VAL A 823 -9.855 1.099 -8.666 1.00 0.00 H new ATOM 0 HG21 VAL A 823 -12.753 1.340 -7.661 1.00 0.00 H new ATOM 0 HG22 VAL A 823 -11.389 0.891 -6.611 1.00 0.00 H new ATOM 0 HG23 VAL A 823 -12.425 2.272 -6.181 1.00 0.00 H new ATOM 1024 N ARG A 824 -9.037 5.036 -8.187 1.00 0.00 N ATOM 1025 CA ARG A 824 -8.039 5.749 -8.973 1.00 0.00 C ATOM 1026 C ARG A 824 -6.715 5.811 -8.226 1.00 0.00 C ATOM 1027 O ARG A 824 -5.676 5.438 -8.763 1.00 0.00 O ATOM 1028 CB ARG A 824 -8.520 7.162 -9.305 1.00 0.00 C ATOM 1029 CG ARG A 824 -7.730 7.822 -10.422 1.00 0.00 C ATOM 1030 CD ARG A 824 -6.991 9.056 -9.929 1.00 0.00 C ATOM 1031 NE ARG A 824 -7.909 10.153 -9.638 1.00 0.00 N ATOM 1032 CZ ARG A 824 -8.356 11.014 -10.548 1.00 0.00 C ATOM 1033 NH1 ARG A 824 -7.881 10.990 -11.786 1.00 0.00 N ATOM 1034 NH2 ARG A 824 -9.264 11.917 -10.205 1.00 0.00 N ATOM 0 H ARG A 824 -9.894 5.563 -8.020 1.00 0.00 H new ATOM 0 HA ARG A 824 -7.891 5.204 -9.905 1.00 0.00 H new ATOM 0 HB2 ARG A 824 -9.572 7.122 -9.588 1.00 0.00 H new ATOM 0 HB3 ARG A 824 -8.454 7.780 -8.409 1.00 0.00 H new ATOM 0 HG2 ARG A 824 -7.016 7.109 -10.834 1.00 0.00 H new ATOM 0 HG3 ARG A 824 -8.405 8.100 -11.231 1.00 0.00 H new ATOM 0 HD2 ARG A 824 -6.425 8.807 -9.031 1.00 0.00 H new ATOM 0 HD3 ARG A 824 -6.270 9.374 -10.682 1.00 0.00 H new ATOM 0 HE ARG A 824 -8.228 10.266 -8.676 1.00 0.00 H new ATOM 0 HH11 ARG A 824 -7.168 10.308 -12.046 1.00 0.00 H new ATOM 0 HH12 ARG A 824 -8.229 11.653 -12.479 1.00 0.00 H new ATOM 0 HH21 ARG A 824 -9.616 11.949 -9.248 1.00 0.00 H new ATOM 0 HH22 ARG A 824 -9.611 12.580 -10.898 1.00 0.00 H new ATOM 1048 N GLN A 825 -6.759 6.260 -6.981 1.00 0.00 N ATOM 1049 CA GLN A 825 -5.557 6.332 -6.163 1.00 0.00 C ATOM 1050 C GLN A 825 -5.016 4.931 -5.884 1.00 0.00 C ATOM 1051 O GLN A 825 -3.810 4.723 -5.843 1.00 0.00 O ATOM 1052 CB GLN A 825 -5.838 7.064 -4.848 1.00 0.00 C ATOM 1053 CG GLN A 825 -6.508 8.419 -5.031 1.00 0.00 C ATOM 1054 CD GLN A 825 -5.527 9.528 -5.361 1.00 0.00 C ATOM 1055 OE1 GLN A 825 -4.378 9.518 -4.914 1.00 0.00 O ATOM 1056 NE2 GLN A 825 -5.979 10.498 -6.142 1.00 0.00 N ATOM 0 H GLN A 825 -7.609 6.579 -6.516 1.00 0.00 H new ATOM 0 HA GLN A 825 -4.803 6.894 -6.715 1.00 0.00 H new ATOM 0 HB2 GLN A 825 -6.473 6.437 -4.222 1.00 0.00 H new ATOM 0 HB3 GLN A 825 -4.899 7.203 -4.312 1.00 0.00 H new ATOM 0 HG2 GLN A 825 -7.248 8.347 -5.828 1.00 0.00 H new ATOM 0 HG3 GLN A 825 -7.046 8.678 -4.119 1.00 0.00 H new ATOM 0 HE21 GLN A 825 -6.937 10.468 -6.490 1.00 0.00 H new ATOM 0 HE22 GLN A 825 -5.369 11.275 -6.395 1.00 0.00 H new ATOM 1065 N ALA A 826 -5.919 3.968 -5.722 1.00 0.00 N ATOM 1066 CA ALA A 826 -5.532 2.591 -5.424 1.00 0.00 C ATOM 1067 C ALA A 826 -4.713 1.971 -6.557 1.00 0.00 C ATOM 1068 O ALA A 826 -3.711 1.302 -6.304 1.00 0.00 O ATOM 1069 CB ALA A 826 -6.763 1.743 -5.140 1.00 0.00 C ATOM 0 H ALA A 826 -6.926 4.116 -5.792 1.00 0.00 H new ATOM 0 HA ALA A 826 -4.901 2.615 -4.535 1.00 0.00 H new ATOM 0 HB1 ALA A 826 -6.457 0.720 -4.920 1.00 0.00 H new ATOM 0 HB2 ALA A 826 -7.298 2.154 -4.284 1.00 0.00 H new ATOM 0 HB3 ALA A 826 -7.416 1.747 -6.012 1.00 0.00 H new ATOM 1075 N ARG A 827 -5.126 2.189 -7.802 1.00 0.00 N ATOM 1076 CA ARG A 827 -4.388 1.645 -8.940 1.00 0.00 C ATOM 1077 C ARG A 827 -3.045 2.359 -9.094 1.00 0.00 C ATOM 1078 O ARG A 827 -2.073 1.779 -9.583 1.00 0.00 O ATOM 1079 CB ARG A 827 -5.210 1.698 -10.238 1.00 0.00 C ATOM 1080 CG ARG A 827 -5.672 3.083 -10.628 1.00 0.00 C ATOM 1081 CD ARG A 827 -7.150 3.109 -10.963 1.00 0.00 C ATOM 1082 NE ARG A 827 -7.422 2.914 -12.386 1.00 0.00 N ATOM 1083 CZ ARG A 827 -7.204 3.829 -13.334 1.00 0.00 C ATOM 1084 NH1 ARG A 827 -6.633 4.990 -13.031 1.00 0.00 N ATOM 1085 NH2 ARG A 827 -7.560 3.576 -14.588 1.00 0.00 N ATOM 0 H ARG A 827 -5.955 2.730 -8.048 1.00 0.00 H new ATOM 0 HA ARG A 827 -4.194 0.591 -8.739 1.00 0.00 H new ATOM 0 HB2 ARG A 827 -4.611 1.286 -11.050 1.00 0.00 H new ATOM 0 HB3 ARG A 827 -6.083 1.055 -10.127 1.00 0.00 H new ATOM 0 HG2 ARG A 827 -5.472 3.776 -9.811 1.00 0.00 H new ATOM 0 HG3 ARG A 827 -5.098 3.429 -11.488 1.00 0.00 H new ATOM 0 HD2 ARG A 827 -7.659 2.332 -10.393 1.00 0.00 H new ATOM 0 HD3 ARG A 827 -7.571 4.064 -10.647 1.00 0.00 H new ATOM 0 HE ARG A 827 -7.806 2.014 -12.676 1.00 0.00 H new ATOM 0 HH11 ARG A 827 -6.358 5.187 -12.069 1.00 0.00 H new ATOM 0 HH12 ARG A 827 -6.470 5.684 -13.761 1.00 0.00 H new ATOM 0 HH21 ARG A 827 -7.998 2.686 -14.824 1.00 0.00 H new ATOM 0 HH22 ARG A 827 -7.395 4.272 -15.315 1.00 0.00 H new ATOM 1099 N ILE A 828 -2.990 3.618 -8.667 1.00 0.00 N ATOM 1100 CA ILE A 828 -1.725 4.346 -8.606 1.00 0.00 C ATOM 1101 C ILE A 828 -0.855 3.770 -7.492 1.00 0.00 C ATOM 1102 O ILE A 828 0.347 3.573 -7.662 1.00 0.00 O ATOM 1103 CB ILE A 828 -1.945 5.857 -8.356 1.00 0.00 C ATOM 1104 CG1 ILE A 828 -2.748 6.481 -9.500 1.00 0.00 C ATOM 1105 CG2 ILE A 828 -0.611 6.575 -8.196 1.00 0.00 C ATOM 1106 CD1 ILE A 828 -3.495 7.736 -9.099 1.00 0.00 C ATOM 0 H ILE A 828 -3.802 4.153 -8.360 1.00 0.00 H new ATOM 0 HA ILE A 828 -1.228 4.232 -9.569 1.00 0.00 H new ATOM 0 HB ILE A 828 -2.512 5.969 -7.432 1.00 0.00 H new ATOM 0 HG12 ILE A 828 -2.072 6.717 -10.322 1.00 0.00 H new ATOM 0 HG13 ILE A 828 -3.461 5.747 -9.875 1.00 0.00 H new ATOM 0 HG21 ILE A 828 -0.788 7.636 -8.021 1.00 0.00 H new ATOM 0 HG22 ILE A 828 -0.070 6.153 -7.349 1.00 0.00 H new ATOM 0 HG23 ILE A 828 -0.020 6.450 -9.103 1.00 0.00 H new ATOM 0 HD11 ILE A 828 -4.042 8.124 -9.958 1.00 0.00 H new ATOM 0 HD12 ILE A 828 -4.196 7.502 -8.298 1.00 0.00 H new ATOM 0 HD13 ILE A 828 -2.785 8.487 -8.752 1.00 0.00 H new ATOM 1118 N LEU A 829 -1.487 3.488 -6.357 1.00 0.00 N ATOM 1119 CA LEU A 829 -0.817 2.877 -5.213 1.00 0.00 C ATOM 1120 C LEU A 829 -0.150 1.567 -5.619 1.00 0.00 C ATOM 1121 O LEU A 829 1.016 1.329 -5.302 1.00 0.00 O ATOM 1122 CB LEU A 829 -1.832 2.628 -4.088 1.00 0.00 C ATOM 1123 CG LEU A 829 -1.260 2.079 -2.777 1.00 0.00 C ATOM 1124 CD1 LEU A 829 -0.031 2.866 -2.354 1.00 0.00 C ATOM 1125 CD2 LEU A 829 -2.317 2.119 -1.684 1.00 0.00 C ATOM 0 H LEU A 829 -2.478 3.676 -6.204 1.00 0.00 H new ATOM 0 HA LEU A 829 -0.045 3.558 -4.854 1.00 0.00 H new ATOM 0 HB2 LEU A 829 -2.344 3.566 -3.873 1.00 0.00 H new ATOM 0 HB3 LEU A 829 -2.585 1.930 -4.453 1.00 0.00 H new ATOM 0 HG LEU A 829 -0.962 1.043 -2.939 1.00 0.00 H new ATOM 0 HD11 LEU A 829 0.358 2.459 -1.421 1.00 0.00 H new ATOM 0 HD12 LEU A 829 0.732 2.793 -3.128 1.00 0.00 H new ATOM 0 HD13 LEU A 829 -0.301 3.912 -2.209 1.00 0.00 H new ATOM 0 HD21 LEU A 829 -1.898 1.726 -0.758 1.00 0.00 H new ATOM 0 HD22 LEU A 829 -2.640 3.148 -1.528 1.00 0.00 H new ATOM 0 HD23 LEU A 829 -3.171 1.511 -1.982 1.00 0.00 H new ATOM 1137 N ALA A 830 -0.895 0.730 -6.333 1.00 0.00 N ATOM 1138 CA ALA A 830 -0.381 -0.547 -6.813 1.00 0.00 C ATOM 1139 C ALA A 830 0.851 -0.345 -7.690 1.00 0.00 C ATOM 1140 O ALA A 830 1.813 -1.112 -7.620 1.00 0.00 O ATOM 1141 CB ALA A 830 -1.461 -1.294 -7.581 1.00 0.00 C ATOM 0 H ALA A 830 -1.864 0.915 -6.593 1.00 0.00 H new ATOM 0 HA ALA A 830 -0.087 -1.143 -5.949 1.00 0.00 H new ATOM 0 HB1 ALA A 830 -1.064 -2.246 -7.934 1.00 0.00 H new ATOM 0 HB2 ALA A 830 -2.313 -1.477 -6.926 1.00 0.00 H new ATOM 0 HB3 ALA A 830 -1.781 -0.696 -8.434 1.00 0.00 H new ATOM 1147 N GLN A 831 0.819 0.706 -8.495 1.00 0.00 N ATOM 1148 CA GLN A 831 1.912 1.015 -9.404 1.00 0.00 C ATOM 1149 C GLN A 831 3.120 1.550 -8.651 1.00 0.00 C ATOM 1150 O GLN A 831 4.244 1.081 -8.846 1.00 0.00 O ATOM 1151 CB GLN A 831 1.460 2.041 -10.440 1.00 0.00 C ATOM 1152 CG GLN A 831 1.487 1.507 -11.856 1.00 0.00 C ATOM 1153 CD GLN A 831 0.681 0.231 -12.004 1.00 0.00 C ATOM 1154 OE1 GLN A 831 1.217 -0.819 -12.355 1.00 0.00 O ATOM 1155 NE2 GLN A 831 -0.610 0.308 -11.718 1.00 0.00 N ATOM 0 H GLN A 831 0.041 1.364 -8.537 1.00 0.00 H new ATOM 0 HA GLN A 831 2.200 0.091 -9.906 1.00 0.00 H new ATOM 0 HB2 GLN A 831 0.448 2.368 -10.201 1.00 0.00 H new ATOM 0 HB3 GLN A 831 2.102 2.919 -10.377 1.00 0.00 H new ATOM 0 HG2 GLN A 831 1.094 2.264 -12.535 1.00 0.00 H new ATOM 0 HG3 GLN A 831 2.519 1.319 -12.152 1.00 0.00 H new ATOM 0 HE21 GLN A 831 -1.016 1.198 -11.430 1.00 0.00 H new ATOM 0 HE22 GLN A 831 -1.198 -0.523 -11.785 1.00 0.00 H new ATOM 1164 N ALA A 832 2.877 2.524 -7.785 1.00 0.00 N ATOM 1165 CA ALA A 832 3.944 3.183 -7.052 1.00 0.00 C ATOM 1166 C ALA A 832 4.678 2.204 -6.144 1.00 0.00 C ATOM 1167 O ALA A 832 5.909 2.192 -6.095 1.00 0.00 O ATOM 1168 CB ALA A 832 3.389 4.346 -6.243 1.00 0.00 C ATOM 0 H ALA A 832 1.943 2.876 -7.573 1.00 0.00 H new ATOM 0 HA ALA A 832 4.662 3.569 -7.776 1.00 0.00 H new ATOM 0 HB1 ALA A 832 4.200 4.830 -5.699 1.00 0.00 H new ATOM 0 HB2 ALA A 832 2.922 5.066 -6.915 1.00 0.00 H new ATOM 0 HB3 ALA A 832 2.647 3.976 -5.535 1.00 0.00 H new ATOM 1174 N THR A 833 3.922 1.375 -5.436 1.00 0.00 N ATOM 1175 CA THR A 833 4.509 0.385 -4.546 1.00 0.00 C ATOM 1176 C THR A 833 5.289 -0.663 -5.333 1.00 0.00 C ATOM 1177 O THR A 833 6.317 -1.159 -4.873 1.00 0.00 O ATOM 1178 CB THR A 833 3.433 -0.304 -3.688 1.00 0.00 C ATOM 1179 OG1 THR A 833 2.511 0.674 -3.191 1.00 0.00 O ATOM 1180 CG2 THR A 833 4.061 -1.051 -2.523 1.00 0.00 C ATOM 0 H THR A 833 2.902 1.369 -5.461 1.00 0.00 H new ATOM 0 HA THR A 833 5.195 0.913 -3.884 1.00 0.00 H new ATOM 0 HB THR A 833 2.905 -1.023 -4.314 1.00 0.00 H new ATOM 0 HG1 THR A 833 1.781 0.791 -3.834 1.00 0.00 H new ATOM 0 HG21 THR A 833 3.279 -1.529 -1.933 1.00 0.00 H new ATOM 0 HG22 THR A 833 4.744 -1.811 -2.904 1.00 0.00 H new ATOM 0 HG23 THR A 833 4.612 -0.350 -1.896 1.00 0.00 H new ATOM 1188 N SER A 834 4.810 -0.982 -6.531 1.00 0.00 N ATOM 1189 CA SER A 834 5.502 -1.923 -7.391 1.00 0.00 C ATOM 1190 C SER A 834 6.869 -1.368 -7.777 1.00 0.00 C ATOM 1191 O SER A 834 7.859 -2.098 -7.807 1.00 0.00 O ATOM 1192 CB SER A 834 4.667 -2.210 -8.638 1.00 0.00 C ATOM 1193 OG SER A 834 4.667 -3.594 -8.946 1.00 0.00 O ATOM 0 H SER A 834 3.948 -0.602 -6.923 1.00 0.00 H new ATOM 0 HA SER A 834 5.646 -2.859 -6.851 1.00 0.00 H new ATOM 0 HB2 SER A 834 3.644 -1.870 -8.480 1.00 0.00 H new ATOM 0 HB3 SER A 834 5.064 -1.647 -9.483 1.00 0.00 H new ATOM 0 HG SER A 834 4.124 -3.751 -9.747 1.00 0.00 H new ATOM 1199 N ASP A 835 6.920 -0.066 -8.044 1.00 0.00 N ATOM 1200 CA ASP A 835 8.177 0.599 -8.366 1.00 0.00 C ATOM 1201 C ASP A 835 9.104 0.585 -7.160 1.00 0.00 C ATOM 1202 O ASP A 835 10.302 0.342 -7.290 1.00 0.00 O ATOM 1203 CB ASP A 835 7.934 2.042 -8.814 1.00 0.00 C ATOM 1204 CG ASP A 835 9.136 2.631 -9.524 1.00 0.00 C ATOM 1205 OD1 ASP A 835 9.380 2.262 -10.690 1.00 0.00 O ATOM 1206 OD2 ASP A 835 9.842 3.469 -8.922 1.00 0.00 O ATOM 0 H ASP A 835 6.106 0.548 -8.044 1.00 0.00 H new ATOM 0 HA ASP A 835 8.645 0.055 -9.187 1.00 0.00 H new ATOM 0 HB2 ASP A 835 7.070 2.074 -9.478 1.00 0.00 H new ATOM 0 HB3 ASP A 835 7.691 2.654 -7.946 1.00 0.00 H new ATOM 1211 N LEU A 836 8.531 0.834 -5.989 1.00 0.00 N ATOM 1212 CA LEU A 836 9.276 0.822 -4.735 1.00 0.00 C ATOM 1213 C LEU A 836 9.919 -0.544 -4.496 1.00 0.00 C ATOM 1214 O LEU A 836 11.124 -0.641 -4.263 1.00 0.00 O ATOM 1215 CB LEU A 836 8.344 1.186 -3.574 1.00 0.00 C ATOM 1216 CG LEU A 836 8.850 0.846 -2.168 1.00 0.00 C ATOM 1217 CD1 LEU A 836 9.968 1.793 -1.764 1.00 0.00 C ATOM 1218 CD2 LEU A 836 7.713 0.912 -1.166 1.00 0.00 C ATOM 0 H LEU A 836 7.540 1.049 -5.881 1.00 0.00 H new ATOM 0 HA LEU A 836 10.074 1.562 -4.797 1.00 0.00 H new ATOM 0 HB2 LEU A 836 8.145 2.257 -3.617 1.00 0.00 H new ATOM 0 HB3 LEU A 836 7.391 0.679 -3.727 1.00 0.00 H new ATOM 0 HG LEU A 836 9.244 -0.170 -2.178 1.00 0.00 H new ATOM 0 HD11 LEU A 836 10.317 1.538 -0.763 1.00 0.00 H new ATOM 0 HD12 LEU A 836 10.794 1.703 -2.470 1.00 0.00 H new ATOM 0 HD13 LEU A 836 9.596 2.818 -1.769 1.00 0.00 H new ATOM 0 HD21 LEU A 836 8.089 0.668 -0.172 1.00 0.00 H new ATOM 0 HD22 LEU A 836 7.293 1.918 -1.158 1.00 0.00 H new ATOM 0 HD23 LEU A 836 6.939 0.198 -1.447 1.00 0.00 H new ATOM 1230 N VAL A 837 9.113 -1.595 -4.580 1.00 0.00 N ATOM 1231 CA VAL A 837 9.596 -2.952 -4.350 1.00 0.00 C ATOM 1232 C VAL A 837 10.610 -3.355 -5.420 1.00 0.00 C ATOM 1233 O VAL A 837 11.642 -3.956 -5.113 1.00 0.00 O ATOM 1234 CB VAL A 837 8.431 -3.967 -4.317 1.00 0.00 C ATOM 1235 CG1 VAL A 837 8.947 -5.389 -4.147 1.00 0.00 C ATOM 1236 CG2 VAL A 837 7.458 -3.617 -3.198 1.00 0.00 C ATOM 0 H VAL A 837 8.120 -1.534 -4.806 1.00 0.00 H new ATOM 0 HA VAL A 837 10.086 -2.963 -3.377 1.00 0.00 H new ATOM 0 HB VAL A 837 7.906 -3.912 -5.271 1.00 0.00 H new ATOM 0 HG11 VAL A 837 8.105 -6.081 -4.127 1.00 0.00 H new ATOM 0 HG12 VAL A 837 9.604 -5.640 -4.980 1.00 0.00 H new ATOM 0 HG13 VAL A 837 9.502 -5.465 -3.212 1.00 0.00 H new ATOM 0 HG21 VAL A 837 6.642 -4.340 -3.186 1.00 0.00 H new ATOM 0 HG22 VAL A 837 7.980 -3.642 -2.241 1.00 0.00 H new ATOM 0 HG23 VAL A 837 7.055 -2.618 -3.365 1.00 0.00 H new ATOM 1246 N ASN A 838 10.322 -3.000 -6.668 1.00 0.00 N ATOM 1247 CA ASN A 838 11.229 -3.283 -7.780 1.00 0.00 C ATOM 1248 C ASN A 838 12.566 -2.579 -7.576 1.00 0.00 C ATOM 1249 O ASN A 838 13.630 -3.175 -7.759 1.00 0.00 O ATOM 1250 CB ASN A 838 10.605 -2.836 -9.105 1.00 0.00 C ATOM 1251 CG ASN A 838 11.547 -3.003 -10.284 1.00 0.00 C ATOM 1252 OD1 ASN A 838 12.062 -4.090 -10.537 1.00 0.00 O ATOM 1253 ND2 ASN A 838 11.781 -1.925 -11.017 1.00 0.00 N ATOM 0 H ASN A 838 9.466 -2.515 -6.937 1.00 0.00 H new ATOM 0 HA ASN A 838 11.400 -4.359 -7.813 1.00 0.00 H new ATOM 0 HB2 ASN A 838 9.697 -3.412 -9.286 1.00 0.00 H new ATOM 0 HB3 ASN A 838 10.309 -1.790 -9.027 1.00 0.00 H new ATOM 0 HD21 ASN A 838 12.406 -1.981 -11.821 1.00 0.00 H new ATOM 0 HD22 ASN A 838 11.336 -1.039 -10.778 1.00 0.00 H new ATOM 1260 N ALA A 839 12.503 -1.309 -7.184 1.00 0.00 N ATOM 1261 CA ALA A 839 13.701 -0.523 -6.923 1.00 0.00 C ATOM 1262 C ALA A 839 14.547 -1.175 -5.838 1.00 0.00 C ATOM 1263 O ALA A 839 15.766 -1.278 -5.969 1.00 0.00 O ATOM 1264 CB ALA A 839 13.329 0.896 -6.522 1.00 0.00 C ATOM 0 H ALA A 839 11.630 -0.802 -7.040 1.00 0.00 H new ATOM 0 HA ALA A 839 14.289 -0.483 -7.840 1.00 0.00 H new ATOM 0 HB1 ALA A 839 14.236 1.470 -6.331 1.00 0.00 H new ATOM 0 HB2 ALA A 839 12.766 1.366 -7.328 1.00 0.00 H new ATOM 0 HB3 ALA A 839 12.718 0.871 -5.619 1.00 0.00 H new ATOM 1270 N ILE A 840 13.889 -1.617 -4.775 1.00 0.00 N ATOM 1271 CA ILE A 840 14.567 -2.283 -3.672 1.00 0.00 C ATOM 1272 C ILE A 840 15.198 -3.592 -4.134 1.00 0.00 C ATOM 1273 O ILE A 840 16.376 -3.840 -3.882 1.00 0.00 O ATOM 1274 CB ILE A 840 13.594 -2.558 -2.502 1.00 0.00 C ATOM 1275 CG1 ILE A 840 13.355 -1.274 -1.714 1.00 0.00 C ATOM 1276 CG2 ILE A 840 14.127 -3.648 -1.581 1.00 0.00 C ATOM 1277 CD1 ILE A 840 11.949 -1.144 -1.180 1.00 0.00 C ATOM 0 H ILE A 840 12.880 -1.525 -4.653 1.00 0.00 H new ATOM 0 HA ILE A 840 15.353 -1.615 -3.321 1.00 0.00 H new ATOM 0 HB ILE A 840 12.650 -2.907 -2.920 1.00 0.00 H new ATOM 0 HG12 ILE A 840 14.056 -1.234 -0.880 1.00 0.00 H new ATOM 0 HG13 ILE A 840 13.572 -0.419 -2.355 1.00 0.00 H new ATOM 0 HG21 ILE A 840 13.419 -3.817 -0.769 1.00 0.00 H new ATOM 0 HG22 ILE A 840 14.257 -4.571 -2.147 1.00 0.00 H new ATOM 0 HG23 ILE A 840 15.086 -3.338 -1.167 1.00 0.00 H new ATOM 0 HD11 ILE A 840 11.853 -0.207 -0.631 1.00 0.00 H new ATOM 0 HD12 ILE A 840 11.242 -1.152 -2.010 1.00 0.00 H new ATOM 0 HD13 ILE A 840 11.734 -1.979 -0.513 1.00 0.00 H new ATOM 1289 N LYS A 841 14.414 -4.412 -4.828 1.00 0.00 N ATOM 1290 CA LYS A 841 14.877 -5.719 -5.286 1.00 0.00 C ATOM 1291 C LYS A 841 16.131 -5.591 -6.143 1.00 0.00 C ATOM 1292 O LYS A 841 17.044 -6.412 -6.049 1.00 0.00 O ATOM 1293 CB LYS A 841 13.774 -6.427 -6.074 1.00 0.00 C ATOM 1294 CG LYS A 841 13.486 -7.835 -5.580 1.00 0.00 C ATOM 1295 CD LYS A 841 13.564 -8.848 -6.711 1.00 0.00 C ATOM 1296 CE LYS A 841 13.191 -10.245 -6.239 1.00 0.00 C ATOM 1297 NZ LYS A 841 11.761 -10.333 -5.838 1.00 0.00 N ATOM 0 H LYS A 841 13.452 -4.194 -5.086 1.00 0.00 H new ATOM 0 HA LYS A 841 15.125 -6.313 -4.407 1.00 0.00 H new ATOM 0 HB2 LYS A 841 12.860 -5.836 -6.016 1.00 0.00 H new ATOM 0 HB3 LYS A 841 14.060 -6.470 -7.125 1.00 0.00 H new ATOM 0 HG2 LYS A 841 14.200 -8.102 -4.801 1.00 0.00 H new ATOM 0 HG3 LYS A 841 12.495 -7.868 -5.128 1.00 0.00 H new ATOM 0 HD2 LYS A 841 12.896 -8.546 -7.518 1.00 0.00 H new ATOM 0 HD3 LYS A 841 14.574 -8.859 -7.121 1.00 0.00 H new ATOM 0 HE2 LYS A 841 13.389 -10.962 -7.036 1.00 0.00 H new ATOM 0 HE3 LYS A 841 13.822 -10.523 -5.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 841 11.495 -11.331 -5.719 1.00 0.00 H new ATOM 0 HZ2 LYS A 841 11.620 -9.827 -4.940 1.00 0.00 H new ATOM 0 HZ3 LYS A 841 11.167 -9.902 -6.575 1.00 0.00 H new ATOM 1508 N LEU A 856 15.687 -5.537 3.385 1.00 0.00 N ATOM 1509 CA LEU A 856 14.996 -4.672 2.463 1.00 0.00 C ATOM 1510 C LEU A 856 13.971 -5.449 1.657 1.00 0.00 C ATOM 1511 O LEU A 856 12.820 -5.040 1.530 1.00 0.00 O ATOM 1512 CB LEU A 856 16.018 -4.054 1.525 1.00 0.00 C ATOM 1513 CG LEU A 856 16.962 -3.033 2.165 1.00 0.00 C ATOM 1514 CD1 LEU A 856 18.039 -2.610 1.177 1.00 0.00 C ATOM 1515 CD2 LEU A 856 16.191 -1.813 2.639 1.00 0.00 C ATOM 0 HA LEU A 856 14.472 -3.897 3.022 1.00 0.00 H new ATOM 0 HB2 LEU A 856 16.617 -4.854 1.089 1.00 0.00 H new ATOM 0 HB3 LEU A 856 15.488 -3.570 0.705 1.00 0.00 H new ATOM 0 HG LEU A 856 17.436 -3.505 3.026 1.00 0.00 H new ATOM 0 HD11 LEU A 856 18.701 -1.884 1.649 1.00 0.00 H new ATOM 0 HD12 LEU A 856 18.616 -3.483 0.872 1.00 0.00 H new ATOM 0 HD13 LEU A 856 17.572 -2.160 0.301 1.00 0.00 H new ATOM 0 HD21 LEU A 856 16.880 -1.100 3.091 1.00 0.00 H new ATOM 0 HD22 LEU A 856 15.691 -1.346 1.790 1.00 0.00 H new ATOM 0 HD23 LEU A 856 15.448 -2.116 3.377 1.00 0.00 H new ATOM 1527 N LEU A 857 14.406 -6.578 1.128 1.00 0.00 N ATOM 1528 CA LEU A 857 13.566 -7.410 0.289 1.00 0.00 C ATOM 1529 C LEU A 857 12.440 -8.042 1.101 1.00 0.00 C ATOM 1530 O LEU A 857 11.318 -8.180 0.616 1.00 0.00 O ATOM 1531 CB LEU A 857 14.424 -8.476 -0.384 1.00 0.00 C ATOM 1532 CG LEU A 857 15.781 -7.965 -0.877 1.00 0.00 C ATOM 1533 CD1 LEU A 857 16.828 -9.065 -0.800 1.00 0.00 C ATOM 1534 CD2 LEU A 857 15.661 -7.443 -2.300 1.00 0.00 C ATOM 0 H LEU A 857 15.348 -6.942 1.268 1.00 0.00 H new ATOM 0 HA LEU A 857 13.103 -6.791 -0.479 1.00 0.00 H new ATOM 0 HB2 LEU A 857 14.589 -9.292 0.319 1.00 0.00 H new ATOM 0 HB3 LEU A 857 13.874 -8.890 -1.229 1.00 0.00 H new ATOM 0 HG LEU A 857 16.098 -7.146 -0.231 1.00 0.00 H new ATOM 0 HD11 LEU A 857 17.785 -8.682 -1.155 1.00 0.00 H new ATOM 0 HD12 LEU A 857 16.931 -9.398 0.233 1.00 0.00 H new ATOM 0 HD13 LEU A 857 16.520 -9.905 -1.423 1.00 0.00 H new ATOM 0 HD21 LEU A 857 16.632 -7.083 -2.639 1.00 0.00 H new ATOM 0 HD22 LEU A 857 15.323 -8.246 -2.955 1.00 0.00 H new ATOM 0 HD23 LEU A 857 14.941 -6.625 -2.328 1.00 0.00 H new ATOM 1546 N SER A 858 12.741 -8.409 2.342 1.00 0.00 N ATOM 1547 CA SER A 858 11.725 -8.922 3.251 1.00 0.00 C ATOM 1548 C SER A 858 10.661 -7.857 3.509 1.00 0.00 C ATOM 1549 O SER A 858 9.462 -8.124 3.415 1.00 0.00 O ATOM 1550 CB SER A 858 12.363 -9.364 4.569 1.00 0.00 C ATOM 1551 OG SER A 858 13.400 -10.307 4.347 1.00 0.00 O ATOM 0 H SER A 858 13.679 -8.361 2.740 1.00 0.00 H new ATOM 0 HA SER A 858 11.250 -9.787 2.789 1.00 0.00 H new ATOM 0 HB2 SER A 858 12.764 -8.495 5.091 1.00 0.00 H new ATOM 0 HB3 SER A 858 11.602 -9.802 5.215 1.00 0.00 H new ATOM 0 HG SER A 858 13.791 -10.571 5.206 1.00 0.00 H new ATOM 1557 N ALA A 859 11.111 -6.642 3.811 1.00 0.00 N ATOM 1558 CA ALA A 859 10.208 -5.526 4.058 1.00 0.00 C ATOM 1559 C ALA A 859 9.424 -5.172 2.797 1.00 0.00 C ATOM 1560 O ALA A 859 8.231 -4.868 2.860 1.00 0.00 O ATOM 1561 CB ALA A 859 10.987 -4.318 4.564 1.00 0.00 C ATOM 0 H ALA A 859 12.100 -6.407 3.890 1.00 0.00 H new ATOM 0 HA ALA A 859 9.494 -5.825 4.825 1.00 0.00 H new ATOM 0 HB1 ALA A 859 10.300 -3.491 4.744 1.00 0.00 H new ATOM 0 HB2 ALA A 859 11.496 -4.576 5.493 1.00 0.00 H new ATOM 0 HB3 ALA A 859 11.723 -4.021 3.817 1.00 0.00 H new ATOM 1567 N ALA A 860 10.097 -5.228 1.653 1.00 0.00 N ATOM 1568 CA ALA A 860 9.462 -4.953 0.371 1.00 0.00 C ATOM 1569 C ALA A 860 8.382 -5.986 0.065 1.00 0.00 C ATOM 1570 O ALA A 860 7.377 -5.676 -0.574 1.00 0.00 O ATOM 1571 CB ALA A 860 10.500 -4.927 -0.740 1.00 0.00 C ATOM 0 H ALA A 860 11.088 -5.463 1.588 1.00 0.00 H new ATOM 0 HA ALA A 860 8.988 -3.973 0.430 1.00 0.00 H new ATOM 0 HB1 ALA A 860 10.010 -4.720 -1.691 1.00 0.00 H new ATOM 0 HB2 ALA A 860 11.234 -4.148 -0.534 1.00 0.00 H new ATOM 0 HB3 ALA A 860 11.001 -5.894 -0.792 1.00 0.00 H new ATOM 1577 N LYS A 861 8.593 -7.212 0.531 1.00 0.00 N ATOM 1578 CA LYS A 861 7.608 -8.269 0.363 1.00 0.00 C ATOM 1579 C LYS A 861 6.312 -7.901 1.077 1.00 0.00 C ATOM 1580 O LYS A 861 5.221 -8.070 0.527 1.00 0.00 O ATOM 1581 CB LYS A 861 8.147 -9.598 0.892 1.00 0.00 C ATOM 1582 CG LYS A 861 8.142 -10.709 -0.144 1.00 0.00 C ATOM 1583 CD LYS A 861 9.301 -10.570 -1.118 1.00 0.00 C ATOM 1584 CE LYS A 861 9.256 -11.639 -2.196 1.00 0.00 C ATOM 1585 NZ LYS A 861 10.151 -12.784 -1.882 1.00 0.00 N ATOM 0 H LYS A 861 9.437 -7.496 1.027 1.00 0.00 H new ATOM 0 HA LYS A 861 7.402 -8.382 -0.701 1.00 0.00 H new ATOM 0 HB2 LYS A 861 9.166 -9.451 1.251 1.00 0.00 H new ATOM 0 HB3 LYS A 861 7.549 -9.908 1.749 1.00 0.00 H new ATOM 0 HG2 LYS A 861 8.201 -11.675 0.357 1.00 0.00 H new ATOM 0 HG3 LYS A 861 7.200 -10.691 -0.693 1.00 0.00 H new ATOM 0 HD2 LYS A 861 9.272 -9.584 -1.581 1.00 0.00 H new ATOM 0 HD3 LYS A 861 10.244 -10.639 -0.575 1.00 0.00 H new ATOM 0 HE2 LYS A 861 8.233 -11.998 -2.308 1.00 0.00 H new ATOM 0 HE3 LYS A 861 9.547 -11.203 -3.152 1.00 0.00 H new ATOM 0 HZ1 LYS A 861 10.090 -13.491 -2.643 1.00 0.00 H new ATOM 0 HZ2 LYS A 861 11.131 -12.446 -1.800 1.00 0.00 H new ATOM 0 HZ3 LYS A 861 9.858 -13.217 -0.983 1.00 0.00 H new ATOM 1599 N ILE A 862 6.438 -7.380 2.294 1.00 0.00 N ATOM 1600 CA ILE A 862 5.277 -6.925 3.051 1.00 0.00 C ATOM 1601 C ILE A 862 4.652 -5.711 2.379 1.00 0.00 C ATOM 1602 O ILE A 862 3.430 -5.554 2.371 1.00 0.00 O ATOM 1603 CB ILE A 862 5.627 -6.553 4.509 1.00 0.00 C ATOM 1604 CG1 ILE A 862 6.831 -7.351 5.010 1.00 0.00 C ATOM 1605 CG2 ILE A 862 4.426 -6.785 5.412 1.00 0.00 C ATOM 1606 CD1 ILE A 862 7.499 -6.730 6.218 1.00 0.00 C ATOM 0 H ILE A 862 7.329 -7.263 2.776 1.00 0.00 H new ATOM 0 HA ILE A 862 4.575 -7.759 3.070 1.00 0.00 H new ATOM 0 HB ILE A 862 5.891 -5.496 4.535 1.00 0.00 H new ATOM 0 HG12 ILE A 862 6.509 -8.362 5.261 1.00 0.00 H new ATOM 0 HG13 ILE A 862 7.561 -7.439 4.205 1.00 0.00 H new ATOM 0 HG21 ILE A 862 4.685 -6.519 6.437 1.00 0.00 H new ATOM 0 HG22 ILE A 862 3.593 -6.167 5.076 1.00 0.00 H new ATOM 0 HG23 ILE A 862 4.138 -7.835 5.371 1.00 0.00 H new ATOM 0 HD11 ILE A 862 8.345 -7.346 6.522 1.00 0.00 H new ATOM 0 HD12 ILE A 862 7.850 -5.730 5.965 1.00 0.00 H new ATOM 0 HD13 ILE A 862 6.783 -6.667 7.037 1.00 0.00 H new ATOM 1618 N LEU A 863 5.503 -4.859 1.814 1.00 0.00 N ATOM 1619 CA LEU A 863 5.053 -3.678 1.087 1.00 0.00 C ATOM 1620 C LEU A 863 4.075 -4.069 -0.016 1.00 0.00 C ATOM 1621 O LEU A 863 2.940 -3.594 -0.044 1.00 0.00 O ATOM 1622 CB LEU A 863 6.249 -2.936 0.479 1.00 0.00 C ATOM 1623 CG LEU A 863 6.560 -1.560 1.076 1.00 0.00 C ATOM 1624 CD1 LEU A 863 5.280 -0.829 1.457 1.00 0.00 C ATOM 1625 CD2 LEU A 863 7.479 -1.700 2.280 1.00 0.00 C ATOM 0 H LEU A 863 6.517 -4.967 1.847 1.00 0.00 H new ATOM 0 HA LEU A 863 4.546 -3.018 1.791 1.00 0.00 H new ATOM 0 HB2 LEU A 863 7.133 -3.564 0.585 1.00 0.00 H new ATOM 0 HB3 LEU A 863 6.071 -2.815 -0.589 1.00 0.00 H new ATOM 0 HG LEU A 863 7.071 -0.967 0.318 1.00 0.00 H new ATOM 0 HD11 LEU A 863 5.529 0.145 1.878 1.00 0.00 H new ATOM 0 HD12 LEU A 863 4.661 -0.693 0.570 1.00 0.00 H new ATOM 0 HD13 LEU A 863 4.733 -1.415 2.196 1.00 0.00 H new ATOM 0 HD21 LEU A 863 7.691 -0.714 2.693 1.00 0.00 H new ATOM 0 HD22 LEU A 863 6.994 -2.314 3.038 1.00 0.00 H new ATOM 0 HD23 LEU A 863 8.412 -2.172 1.973 1.00 0.00 H new ATOM 1637 N ALA A 864 4.520 -4.959 -0.902 1.00 0.00 N ATOM 1638 CA ALA A 864 3.716 -5.384 -2.046 1.00 0.00 C ATOM 1639 C ALA A 864 2.478 -6.166 -1.608 1.00 0.00 C ATOM 1640 O ALA A 864 1.415 -6.051 -2.222 1.00 0.00 O ATOM 1641 CB ALA A 864 4.560 -6.213 -3.004 1.00 0.00 C ATOM 0 H ALA A 864 5.438 -5.401 -0.848 1.00 0.00 H new ATOM 0 HA ALA A 864 3.371 -4.488 -2.561 1.00 0.00 H new ATOM 0 HB1 ALA A 864 3.949 -6.523 -3.852 1.00 0.00 H new ATOM 0 HB2 ALA A 864 5.399 -5.615 -3.361 1.00 0.00 H new ATOM 0 HB3 ALA A 864 4.937 -7.095 -2.487 1.00 0.00 H new ATOM 1647 N ASP A 865 2.618 -6.961 -0.553 1.00 0.00 N ATOM 1648 CA ASP A 865 1.489 -7.721 -0.013 1.00 0.00 C ATOM 1649 C ASP A 865 0.407 -6.771 0.481 1.00 0.00 C ATOM 1650 O ASP A 865 -0.784 -6.975 0.236 1.00 0.00 O ATOM 1651 CB ASP A 865 1.952 -8.622 1.135 1.00 0.00 C ATOM 1652 CG ASP A 865 1.056 -9.832 1.338 1.00 0.00 C ATOM 1653 OD1 ASP A 865 -0.178 -9.665 1.448 1.00 0.00 O ATOM 1654 OD2 ASP A 865 1.587 -10.964 1.405 1.00 0.00 O ATOM 0 H ASP A 865 3.497 -7.098 -0.054 1.00 0.00 H new ATOM 0 HA ASP A 865 1.081 -8.346 -0.807 1.00 0.00 H new ATOM 0 HB2 ASP A 865 2.969 -8.959 0.937 1.00 0.00 H new ATOM 0 HB3 ASP A 865 1.982 -8.041 2.056 1.00 0.00 H new ATOM 1659 N ALA A 866 0.837 -5.716 1.161 1.00 0.00 N ATOM 1660 CA ALA A 866 -0.075 -4.708 1.674 1.00 0.00 C ATOM 1661 C ALA A 866 -0.780 -3.980 0.534 1.00 0.00 C ATOM 1662 O ALA A 866 -1.947 -3.607 0.655 1.00 0.00 O ATOM 1663 CB ALA A 866 0.672 -3.724 2.559 1.00 0.00 C ATOM 0 H ALA A 866 1.819 -5.538 1.370 1.00 0.00 H new ATOM 0 HA ALA A 866 -0.836 -5.207 2.274 1.00 0.00 H new ATOM 0 HB1 ALA A 866 -0.023 -2.974 2.937 1.00 0.00 H new ATOM 0 HB2 ALA A 866 1.121 -4.257 3.397 1.00 0.00 H new ATOM 0 HB3 ALA A 866 1.454 -3.234 1.979 1.00 0.00 H new ATOM 1669 N THR A 867 -0.075 -3.793 -0.579 1.00 0.00 N ATOM 1670 CA THR A 867 -0.647 -3.116 -1.735 1.00 0.00 C ATOM 1671 C THR A 867 -1.836 -3.884 -2.294 1.00 0.00 C ATOM 1672 O THR A 867 -2.872 -3.295 -2.605 1.00 0.00 O ATOM 1673 CB THR A 867 0.391 -2.924 -2.851 1.00 0.00 C ATOM 1674 OG1 THR A 867 1.706 -2.904 -2.296 1.00 0.00 O ATOM 1675 CG2 THR A 867 0.130 -1.635 -3.609 1.00 0.00 C ATOM 0 H THR A 867 0.890 -4.100 -0.703 1.00 0.00 H new ATOM 0 HA THR A 867 -0.980 -2.138 -1.387 1.00 0.00 H new ATOM 0 HB THR A 867 0.308 -3.758 -3.547 1.00 0.00 H new ATOM 0 HG1 THR A 867 2.366 -2.863 -3.019 1.00 0.00 H new ATOM 0 HG21 THR A 867 0.876 -1.518 -4.395 1.00 0.00 H new ATOM 0 HG22 THR A 867 -0.864 -1.670 -4.055 1.00 0.00 H new ATOM 0 HG23 THR A 867 0.190 -0.791 -2.922 1.00 0.00 H new ATOM 1683 N ALA A 868 -1.690 -5.200 -2.410 1.00 0.00 N ATOM 1684 CA ALA A 868 -2.770 -6.040 -2.909 1.00 0.00 C ATOM 1685 C ALA A 868 -3.952 -6.009 -1.956 1.00 0.00 C ATOM 1686 O ALA A 868 -5.104 -6.014 -2.379 1.00 0.00 O ATOM 1687 CB ALA A 868 -2.302 -7.470 -3.109 1.00 0.00 C ATOM 0 H ALA A 868 -0.838 -5.705 -2.166 1.00 0.00 H new ATOM 0 HA ALA A 868 -3.083 -5.643 -3.875 1.00 0.00 H new ATOM 0 HB1 ALA A 868 -3.129 -8.075 -3.482 1.00 0.00 H new ATOM 0 HB2 ALA A 868 -1.485 -7.488 -3.830 1.00 0.00 H new ATOM 0 HB3 ALA A 868 -1.956 -7.876 -2.158 1.00 0.00 H new ATOM 1693 N LYS A 869 -3.655 -5.977 -0.664 1.00 0.00 N ATOM 1694 CA LYS A 869 -4.692 -5.887 0.352 1.00 0.00 C ATOM 1695 C LYS A 869 -5.432 -4.561 0.234 1.00 0.00 C ATOM 1696 O LYS A 869 -6.662 -4.517 0.295 1.00 0.00 O ATOM 1697 CB LYS A 869 -4.083 -6.027 1.748 1.00 0.00 C ATOM 1698 CG LYS A 869 -4.451 -7.326 2.444 1.00 0.00 C ATOM 1699 CD LYS A 869 -4.850 -7.089 3.891 1.00 0.00 C ATOM 1700 CE LYS A 869 -6.341 -6.820 4.023 1.00 0.00 C ATOM 1701 NZ LYS A 869 -6.827 -7.054 5.406 1.00 0.00 N ATOM 0 H LYS A 869 -2.704 -6.012 -0.296 1.00 0.00 H new ATOM 0 HA LYS A 869 -5.401 -6.700 0.197 1.00 0.00 H new ATOM 0 HB2 LYS A 869 -2.998 -5.961 1.670 1.00 0.00 H new ATOM 0 HB3 LYS A 869 -4.410 -5.189 2.364 1.00 0.00 H new ATOM 0 HG2 LYS A 869 -5.274 -7.804 1.912 1.00 0.00 H new ATOM 0 HG3 LYS A 869 -3.605 -8.012 2.406 1.00 0.00 H new ATOM 0 HD2 LYS A 869 -4.582 -7.959 4.490 1.00 0.00 H new ATOM 0 HD3 LYS A 869 -4.290 -6.243 4.290 1.00 0.00 H new ATOM 0 HE2 LYS A 869 -6.551 -5.790 3.734 1.00 0.00 H new ATOM 0 HE3 LYS A 869 -6.888 -7.462 3.333 1.00 0.00 H new ATOM 0 HZ1 LYS A 869 -7.848 -6.859 5.453 1.00 0.00 H new ATOM 0 HZ2 LYS A 869 -6.651 -8.043 5.673 1.00 0.00 H new ATOM 0 HZ3 LYS A 869 -6.324 -6.423 6.062 1.00 0.00 H new ATOM 1715 N MET A 870 -4.674 -3.488 0.045 1.00 0.00 N ATOM 1716 CA MET A 870 -5.242 -2.153 -0.091 1.00 0.00 C ATOM 1717 C MET A 870 -6.066 -2.038 -1.369 1.00 0.00 C ATOM 1718 O MET A 870 -7.209 -1.582 -1.341 1.00 0.00 O ATOM 1719 CB MET A 870 -4.131 -1.099 -0.090 1.00 0.00 C ATOM 1720 CG MET A 870 -4.405 0.074 0.838 1.00 0.00 C ATOM 1721 SD MET A 870 -6.165 0.417 1.034 1.00 0.00 S ATOM 1722 CE MET A 870 -6.361 1.782 -0.106 1.00 0.00 C ATOM 0 H MET A 870 -3.656 -3.518 -0.018 1.00 0.00 H new ATOM 0 HA MET A 870 -5.900 -1.979 0.760 1.00 0.00 H new ATOM 0 HB2 MET A 870 -3.194 -1.572 0.203 1.00 0.00 H new ATOM 0 HB3 MET A 870 -3.996 -0.725 -1.105 1.00 0.00 H new ATOM 0 HG2 MET A 870 -3.969 -0.133 1.815 1.00 0.00 H new ATOM 0 HG3 MET A 870 -3.908 0.963 0.449 1.00 0.00 H new ATOM 0 HE1 MET A 870 -7.421 1.939 -0.306 1.00 0.00 H new ATOM 0 HE2 MET A 870 -5.936 2.685 0.332 1.00 0.00 H new ATOM 0 HE3 MET A 870 -5.845 1.554 -1.039 1.00 0.00 H new ATOM 1732 N VAL A 871 -5.489 -2.470 -2.485 1.00 0.00 N ATOM 1733 CA VAL A 871 -6.167 -2.399 -3.771 1.00 0.00 C ATOM 1734 C VAL A 871 -7.435 -3.257 -3.762 1.00 0.00 C ATOM 1735 O VAL A 871 -8.457 -2.880 -4.339 1.00 0.00 O ATOM 1736 CB VAL A 871 -5.214 -2.812 -4.930 1.00 0.00 C ATOM 1737 CG1 VAL A 871 -5.507 -4.210 -5.460 1.00 0.00 C ATOM 1738 CG2 VAL A 871 -5.283 -1.792 -6.055 1.00 0.00 C ATOM 0 H VAL A 871 -4.553 -2.873 -2.523 1.00 0.00 H new ATOM 0 HA VAL A 871 -6.463 -1.364 -3.942 1.00 0.00 H new ATOM 0 HB VAL A 871 -4.203 -2.834 -4.522 1.00 0.00 H new ATOM 0 HG11 VAL A 871 -4.813 -4.446 -6.267 1.00 0.00 H new ATOM 0 HG12 VAL A 871 -5.389 -4.936 -4.656 1.00 0.00 H new ATOM 0 HG13 VAL A 871 -6.529 -4.249 -5.837 1.00 0.00 H new ATOM 0 HG21 VAL A 871 -4.612 -2.092 -6.860 1.00 0.00 H new ATOM 0 HG22 VAL A 871 -6.303 -1.737 -6.435 1.00 0.00 H new ATOM 0 HG23 VAL A 871 -4.983 -0.814 -5.678 1.00 0.00 H new ATOM 1748 N GLU A 872 -7.370 -4.390 -3.070 1.00 0.00 N ATOM 1749 CA GLU A 872 -8.508 -5.286 -2.944 1.00 0.00 C ATOM 1750 C GLU A 872 -9.612 -4.637 -2.115 1.00 0.00 C ATOM 1751 O GLU A 872 -10.799 -4.754 -2.435 1.00 0.00 O ATOM 1752 CB GLU A 872 -8.065 -6.595 -2.290 1.00 0.00 C ATOM 1753 CG GLU A 872 -9.004 -7.758 -2.553 1.00 0.00 C ATOM 1754 CD GLU A 872 -9.225 -8.612 -1.323 1.00 0.00 C ATOM 1755 OE1 GLU A 872 -8.480 -8.438 -0.331 1.00 0.00 O ATOM 1756 OE2 GLU A 872 -10.136 -9.467 -1.346 1.00 0.00 O ATOM 0 H GLU A 872 -6.532 -4.709 -2.585 1.00 0.00 H new ATOM 0 HA GLU A 872 -8.900 -5.495 -3.939 1.00 0.00 H new ATOM 0 HB2 GLU A 872 -7.070 -6.854 -2.653 1.00 0.00 H new ATOM 0 HB3 GLU A 872 -7.982 -6.443 -1.214 1.00 0.00 H new ATOM 0 HG2 GLU A 872 -9.963 -7.375 -2.903 1.00 0.00 H new ATOM 0 HG3 GLU A 872 -8.597 -8.376 -3.353 1.00 0.00 H new ATOM 1763 N ALA A 873 -9.210 -3.945 -1.057 1.00 0.00 N ATOM 1764 CA ALA A 873 -10.152 -3.286 -0.167 1.00 0.00 C ATOM 1765 C ALA A 873 -10.795 -2.085 -0.847 1.00 0.00 C ATOM 1766 O ALA A 873 -12.010 -1.900 -0.775 1.00 0.00 O ATOM 1767 CB ALA A 873 -9.455 -2.858 1.115 1.00 0.00 C ATOM 0 H ALA A 873 -8.231 -3.826 -0.795 1.00 0.00 H new ATOM 0 HA ALA A 873 -10.940 -3.997 0.082 1.00 0.00 H new ATOM 0 HB1 ALA A 873 -10.172 -2.366 1.772 1.00 0.00 H new ATOM 0 HB2 ALA A 873 -9.045 -3.735 1.617 1.00 0.00 H new ATOM 0 HB3 ALA A 873 -8.647 -2.166 0.876 1.00 0.00 H new ATOM 1773 N ALA A 874 -9.976 -1.279 -1.513 1.00 0.00 N ATOM 1774 CA ALA A 874 -10.460 -0.089 -2.202 1.00 0.00 C ATOM 1775 C ALA A 874 -11.465 -0.451 -3.291 1.00 0.00 C ATOM 1776 O ALA A 874 -12.518 0.176 -3.408 1.00 0.00 O ATOM 1777 CB ALA A 874 -9.295 0.689 -2.794 1.00 0.00 C ATOM 0 H ALA A 874 -8.970 -1.429 -1.590 1.00 0.00 H new ATOM 0 HA ALA A 874 -10.969 0.539 -1.471 1.00 0.00 H new ATOM 0 HB1 ALA A 874 -9.672 1.575 -3.305 1.00 0.00 H new ATOM 0 HB2 ALA A 874 -8.617 0.991 -1.996 1.00 0.00 H new ATOM 0 HB3 ALA A 874 -8.761 0.059 -3.505 1.00 0.00 H new ATOM 1783 N LYS A 875 -11.143 -1.476 -4.074 1.00 0.00 N ATOM 1784 CA LYS A 875 -12.029 -1.926 -5.144 1.00 0.00 C ATOM 1785 C LYS A 875 -13.291 -2.563 -4.569 1.00 0.00 C ATOM 1786 O LYS A 875 -14.348 -2.563 -5.203 1.00 0.00 O ATOM 1787 CB LYS A 875 -11.314 -2.932 -6.050 1.00 0.00 C ATOM 1788 CG LYS A 875 -10.338 -2.299 -7.031 1.00 0.00 C ATOM 1789 CD LYS A 875 -9.352 -3.328 -7.565 1.00 0.00 C ATOM 1790 CE LYS A 875 -8.729 -2.886 -8.880 1.00 0.00 C ATOM 1791 NZ LYS A 875 -9.654 -3.081 -10.029 1.00 0.00 N ATOM 0 H LYS A 875 -10.278 -2.010 -3.989 1.00 0.00 H new ATOM 0 HA LYS A 875 -12.310 -1.053 -5.734 1.00 0.00 H new ATOM 0 HB2 LYS A 875 -10.775 -3.646 -5.428 1.00 0.00 H new ATOM 0 HB3 LYS A 875 -12.061 -3.496 -6.609 1.00 0.00 H new ATOM 0 HG2 LYS A 875 -10.888 -1.854 -7.860 1.00 0.00 H new ATOM 0 HG3 LYS A 875 -9.795 -1.492 -6.539 1.00 0.00 H new ATOM 0 HD2 LYS A 875 -8.566 -3.494 -6.828 1.00 0.00 H new ATOM 0 HD3 LYS A 875 -9.862 -4.281 -7.707 1.00 0.00 H new ATOM 0 HE2 LYS A 875 -8.450 -1.834 -8.814 1.00 0.00 H new ATOM 0 HE3 LYS A 875 -7.812 -3.449 -9.054 1.00 0.00 H new ATOM 0 HZ1 LYS A 875 -9.190 -2.767 -10.905 1.00 0.00 H new ATOM 0 HZ2 LYS A 875 -9.900 -4.088 -10.109 1.00 0.00 H new ATOM 0 HZ3 LYS A 875 -10.519 -2.524 -9.877 1.00 0.00 H new ATOM 1805 N GLY A 876 -13.171 -3.109 -3.364 1.00 0.00 N ATOM 1806 CA GLY A 876 -14.302 -3.738 -2.712 1.00 0.00 C ATOM 1807 C GLY A 876 -15.215 -2.731 -2.042 1.00 0.00 C ATOM 1808 O GLY A 876 -16.396 -2.997 -1.830 1.00 0.00 O ATOM 0 H GLY A 876 -12.305 -3.126 -2.825 1.00 0.00 H new ATOM 0 HA2 GLY A 876 -14.871 -4.308 -3.447 1.00 0.00 H new ATOM 0 HA3 GLY A 876 -13.941 -4.448 -1.968 1.00 0.00 H new