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 833 THR OG1 : rot 76:sc= 0.698 USER MOD Set 1.2: A 867 THR OG1 : rot 63:sc= 0.485 USER MOD Single : A 772 THR OG1 : rot 80:sc= 1.29 USER MOD Single : A 775 THR OG1 : rot 75:sc= 1.03 USER MOD Single : A 776 GLN : amide:sc= -0.619 K(o=-0.62,f=-0.12) USER MOD Single : A 779 ASN : amide:sc= 0.594 K(o=0.59,f=0) USER MOD Single : A 802 THR OG1 : rot 180:sc= 0.0413 USER MOD Single : A 804 THR OG1 : rot 180:sc= 0 USER MOD Single : A 807 THR OG1 : rot 79:sc= 1.3 USER MOD Single : A 809 THR OG1 : rot 180:sc= 0.0423 USER MOD Single : A 811 ASN : amide:sc= -0.0673 X(o=-0.067,f=-0.52) USER MOD Single : A 814 SER OG : rot 180:sc= 0.0455 USER MOD Single : A 815 SER OG : rot 87:sc= 1.19 USER MOD Single : A 816 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 822 MET CE :methyl 153:sc= -2.42 (180deg=-3.68!) USER MOD Single : A 825 GLN : amide:sc= 0.296 K(o=0.3,f=-8.8!) USER MOD Single : A 831 GLN : amide:sc= -0.224 X(o=-0.22,f=-0.22) 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+ 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+ 156:sc= 1.24 (180deg=1.01) USER MOD Single : A 870 MET CE :methyl -123:sc= -4.04! (180deg=-4.51!) USER MOD Single : A 875 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 220 N GLY A 766 -12.284 -2.715 5.920 1.00 0.00 N ATOM 221 CA GLY A 766 -11.382 -3.341 4.972 1.00 0.00 C ATOM 222 C GLY A 766 -10.320 -2.391 4.460 1.00 0.00 C ATOM 223 O GLY A 766 -9.126 -2.608 4.678 1.00 0.00 O ATOM 0 HA2 GLY A 766 -10.900 -4.196 5.446 1.00 0.00 H new ATOM 0 HA3 GLY A 766 -11.957 -3.725 4.129 1.00 0.00 H new ATOM 227 N VAL A 767 -10.755 -1.329 3.786 1.00 0.00 N ATOM 228 CA VAL A 767 -9.833 -0.368 3.189 1.00 0.00 C ATOM 229 C VAL A 767 -8.965 0.289 4.252 1.00 0.00 C ATOM 230 O VAL A 767 -7.769 0.481 4.050 1.00 0.00 O ATOM 231 CB VAL A 767 -10.567 0.736 2.403 1.00 0.00 C ATOM 232 CG1 VAL A 767 -9.639 1.361 1.373 1.00 0.00 C ATOM 233 CG2 VAL A 767 -11.823 0.192 1.744 1.00 0.00 C ATOM 0 H VAL A 767 -11.741 -1.113 3.640 1.00 0.00 H new ATOM 0 HA VAL A 767 -9.211 -0.935 2.497 1.00 0.00 H new ATOM 0 HB VAL A 767 -10.871 1.512 3.106 1.00 0.00 H new ATOM 0 HG11 VAL A 767 -10.173 2.139 0.827 1.00 0.00 H new ATOM 0 HG12 VAL A 767 -8.777 1.798 1.877 1.00 0.00 H new ATOM 0 HG13 VAL A 767 -9.301 0.595 0.676 1.00 0.00 H new ATOM 0 HG21 VAL A 767 -12.322 0.991 1.196 1.00 0.00 H new ATOM 0 HG22 VAL A 767 -11.555 -0.608 1.054 1.00 0.00 H new ATOM 0 HG23 VAL A 767 -12.495 -0.198 2.508 1.00 0.00 H new ATOM 243 N GLY A 768 -9.577 0.630 5.381 1.00 0.00 N ATOM 244 CA GLY A 768 -8.840 1.227 6.479 1.00 0.00 C ATOM 245 C GLY A 768 -7.674 0.367 6.916 1.00 0.00 C ATOM 246 O GLY A 768 -6.536 0.833 6.970 1.00 0.00 O ATOM 0 H GLY A 768 -10.574 0.503 5.555 1.00 0.00 H new ATOM 0 HA2 GLY A 768 -8.473 2.208 6.178 1.00 0.00 H new ATOM 0 HA3 GLY A 768 -9.511 1.383 7.323 1.00 0.00 H new ATOM 250 N ALA A 769 -7.956 -0.898 7.198 1.00 0.00 N ATOM 251 CA ALA A 769 -6.928 -1.845 7.612 1.00 0.00 C ATOM 252 C ALA A 769 -5.861 -2.000 6.533 1.00 0.00 C ATOM 253 O ALA A 769 -4.665 -1.988 6.823 1.00 0.00 O ATOM 254 CB ALA A 769 -7.557 -3.192 7.930 1.00 0.00 C ATOM 0 H ALA A 769 -8.894 -1.294 7.147 1.00 0.00 H new ATOM 0 HA ALA A 769 -6.447 -1.457 8.510 1.00 0.00 H new ATOM 0 HB1 ALA A 769 -6.781 -3.892 8.238 1.00 0.00 H new ATOM 0 HB2 ALA A 769 -8.281 -3.074 8.737 1.00 0.00 H new ATOM 0 HB3 ALA A 769 -8.061 -3.576 7.043 1.00 0.00 H new ATOM 260 N ALA A 770 -6.305 -2.131 5.288 1.00 0.00 N ATOM 261 CA ALA A 770 -5.397 -2.292 4.159 1.00 0.00 C ATOM 262 C ALA A 770 -4.492 -1.072 3.999 1.00 0.00 C ATOM 263 O ALA A 770 -3.285 -1.203 3.786 1.00 0.00 O ATOM 264 CB ALA A 770 -6.191 -2.537 2.885 1.00 0.00 C ATOM 0 H ALA A 770 -7.293 -2.129 5.035 1.00 0.00 H new ATOM 0 HA ALA A 770 -4.760 -3.155 4.353 1.00 0.00 H new ATOM 0 HB1 ALA A 770 -5.505 -2.656 2.046 1.00 0.00 H new ATOM 0 HB2 ALA A 770 -6.788 -3.442 2.997 1.00 0.00 H new ATOM 0 HB3 ALA A 770 -6.849 -1.689 2.698 1.00 0.00 H new ATOM 270 N ALA A 771 -5.078 0.113 4.115 1.00 0.00 N ATOM 271 CA ALA A 771 -4.334 1.358 3.979 1.00 0.00 C ATOM 272 C ALA A 771 -3.356 1.542 5.135 1.00 0.00 C ATOM 273 O ALA A 771 -2.234 2.017 4.947 1.00 0.00 O ATOM 274 CB ALA A 771 -5.289 2.537 3.896 1.00 0.00 C ATOM 0 H ALA A 771 -6.073 0.238 4.304 1.00 0.00 H new ATOM 0 HA ALA A 771 -3.757 1.309 3.056 1.00 0.00 H new ATOM 0 HB1 ALA A 771 -4.719 3.461 3.795 1.00 0.00 H new ATOM 0 HB2 ALA A 771 -5.941 2.417 3.031 1.00 0.00 H new ATOM 0 HB3 ALA A 771 -5.893 2.581 4.803 1.00 0.00 H new ATOM 280 N THR A 772 -3.779 1.151 6.330 1.00 0.00 N ATOM 281 CA THR A 772 -2.926 1.240 7.508 1.00 0.00 C ATOM 282 C THR A 772 -1.703 0.338 7.349 1.00 0.00 C ATOM 283 O THR A 772 -0.590 0.705 7.736 1.00 0.00 O ATOM 284 CB THR A 772 -3.693 0.854 8.789 1.00 0.00 C ATOM 285 OG1 THR A 772 -4.924 1.587 8.862 1.00 0.00 O ATOM 286 CG2 THR A 772 -2.865 1.139 10.033 1.00 0.00 C ATOM 0 H THR A 772 -4.708 0.769 6.509 1.00 0.00 H new ATOM 0 HA THR A 772 -2.602 2.276 7.602 1.00 0.00 H new ATOM 0 HB THR A 772 -3.900 -0.215 8.746 1.00 0.00 H new ATOM 0 HG1 THR A 772 -5.593 1.161 8.287 1.00 0.00 H new ATOM 0 HG21 THR A 772 -3.432 0.857 10.920 1.00 0.00 H new ATOM 0 HG22 THR A 772 -1.941 0.563 9.995 1.00 0.00 H new ATOM 0 HG23 THR A 772 -2.628 2.202 10.077 1.00 0.00 H new ATOM 294 N ALA A 773 -1.916 -0.831 6.751 1.00 0.00 N ATOM 295 CA ALA A 773 -0.835 -1.774 6.499 1.00 0.00 C ATOM 296 C ALA A 773 0.235 -1.147 5.610 1.00 0.00 C ATOM 297 O ALA A 773 1.427 -1.260 5.893 1.00 0.00 O ATOM 298 CB ALA A 773 -1.379 -3.046 5.865 1.00 0.00 C ATOM 0 H ALA A 773 -2.832 -1.147 6.432 1.00 0.00 H new ATOM 0 HA ALA A 773 -0.375 -2.031 7.453 1.00 0.00 H new ATOM 0 HB1 ALA A 773 -0.559 -3.741 5.683 1.00 0.00 H new ATOM 0 HB2 ALA A 773 -2.103 -3.507 6.537 1.00 0.00 H new ATOM 0 HB3 ALA A 773 -1.865 -2.803 4.920 1.00 0.00 H new ATOM 304 N VAL A 774 -0.198 -0.474 4.548 1.00 0.00 N ATOM 305 CA VAL A 774 0.724 0.207 3.644 1.00 0.00 C ATOM 306 C VAL A 774 1.466 1.321 4.373 1.00 0.00 C ATOM 307 O VAL A 774 2.688 1.426 4.284 1.00 0.00 O ATOM 308 CB VAL A 774 -0.008 0.800 2.420 1.00 0.00 C ATOM 309 CG1 VAL A 774 0.928 1.663 1.586 1.00 0.00 C ATOM 310 CG2 VAL A 774 -0.599 -0.309 1.571 1.00 0.00 C ATOM 0 H VAL A 774 -1.181 -0.385 4.292 1.00 0.00 H new ATOM 0 HA VAL A 774 1.436 -0.539 3.293 1.00 0.00 H new ATOM 0 HB VAL A 774 -0.816 1.434 2.785 1.00 0.00 H new ATOM 0 HG11 VAL A 774 0.386 2.067 0.731 1.00 0.00 H new ATOM 0 HG12 VAL A 774 1.307 2.483 2.196 1.00 0.00 H new ATOM 0 HG13 VAL A 774 1.763 1.058 1.233 1.00 0.00 H new ATOM 0 HG21 VAL A 774 -1.112 0.124 0.712 1.00 0.00 H new ATOM 0 HG22 VAL A 774 0.199 -0.966 1.224 1.00 0.00 H new ATOM 0 HG23 VAL A 774 -1.309 -0.883 2.166 1.00 0.00 H new ATOM 320 N THR A 775 0.716 2.133 5.109 1.00 0.00 N ATOM 321 CA THR A 775 1.290 3.247 5.856 1.00 0.00 C ATOM 322 C THR A 775 2.381 2.768 6.819 1.00 0.00 C ATOM 323 O THR A 775 3.438 3.394 6.941 1.00 0.00 O ATOM 324 CB THR A 775 0.203 4.002 6.646 1.00 0.00 C ATOM 325 OG1 THR A 775 -0.925 4.267 5.801 1.00 0.00 O ATOM 326 CG2 THR A 775 0.743 5.313 7.199 1.00 0.00 C ATOM 0 H THR A 775 -0.295 2.040 5.205 1.00 0.00 H new ATOM 0 HA THR A 775 1.737 3.925 5.129 1.00 0.00 H new ATOM 0 HB THR A 775 -0.106 3.373 7.481 1.00 0.00 H new ATOM 0 HG1 THR A 775 -1.433 3.440 5.665 1.00 0.00 H new ATOM 0 HG21 THR A 775 -0.044 5.826 7.752 1.00 0.00 H new ATOM 0 HG22 THR A 775 1.581 5.109 7.865 1.00 0.00 H new ATOM 0 HG23 THR A 775 1.079 5.944 6.376 1.00 0.00 H new ATOM 334 N GLN A 776 2.130 1.646 7.485 1.00 0.00 N ATOM 335 CA GLN A 776 3.088 1.096 8.433 1.00 0.00 C ATOM 336 C GLN A 776 4.252 0.423 7.716 1.00 0.00 C ATOM 337 O GLN A 776 5.402 0.582 8.115 1.00 0.00 O ATOM 338 CB GLN A 776 2.411 0.100 9.374 1.00 0.00 C ATOM 339 CG GLN A 776 2.304 0.603 10.802 1.00 0.00 C ATOM 340 CD GLN A 776 1.624 1.952 10.884 1.00 0.00 C ATOM 341 OE1 GLN A 776 2.245 2.957 11.237 1.00 0.00 O ATOM 342 NE2 GLN A 776 0.347 1.984 10.549 1.00 0.00 N ATOM 0 H GLN A 776 1.273 1.102 7.385 1.00 0.00 H new ATOM 0 HA GLN A 776 3.479 1.927 9.020 1.00 0.00 H new ATOM 0 HB2 GLN A 776 1.412 -0.123 8.999 1.00 0.00 H new ATOM 0 HB3 GLN A 776 2.971 -0.835 9.366 1.00 0.00 H new ATOM 0 HG2 GLN A 776 1.747 -0.119 11.399 1.00 0.00 H new ATOM 0 HG3 GLN A 776 3.301 0.674 11.236 1.00 0.00 H new ATOM 0 HE21 GLN A 776 -0.127 1.127 10.263 1.00 0.00 H new ATOM 0 HE22 GLN A 776 -0.165 2.865 10.576 1.00 0.00 H new ATOM 351 N ALA A 777 3.947 -0.323 6.659 1.00 0.00 N ATOM 352 CA ALA A 777 4.973 -1.017 5.888 1.00 0.00 C ATOM 353 C ALA A 777 5.937 -0.026 5.252 1.00 0.00 C ATOM 354 O ALA A 777 7.153 -0.219 5.281 1.00 0.00 O ATOM 355 CB ALA A 777 4.338 -1.893 4.818 1.00 0.00 C ATOM 0 H ALA A 777 2.996 -0.463 6.316 1.00 0.00 H new ATOM 0 HA ALA A 777 5.535 -1.653 6.572 1.00 0.00 H new ATOM 0 HB1 ALA A 777 5.119 -2.402 4.254 1.00 0.00 H new ATOM 0 HB2 ALA A 777 3.691 -2.632 5.290 1.00 0.00 H new ATOM 0 HB3 ALA A 777 3.748 -1.273 4.143 1.00 0.00 H new ATOM 361 N LEU A 778 5.386 1.041 4.687 1.00 0.00 N ATOM 362 CA LEU A 778 6.191 2.086 4.074 1.00 0.00 C ATOM 363 C LEU A 778 7.085 2.744 5.117 1.00 0.00 C ATOM 364 O LEU A 778 8.263 2.989 4.873 1.00 0.00 O ATOM 365 CB LEU A 778 5.295 3.135 3.417 1.00 0.00 C ATOM 366 CG LEU A 778 5.994 4.029 2.398 1.00 0.00 C ATOM 367 CD1 LEU A 778 6.006 3.369 1.032 1.00 0.00 C ATOM 368 CD2 LEU A 778 5.318 5.386 2.332 1.00 0.00 C ATOM 0 H LEU A 778 4.380 1.204 4.641 1.00 0.00 H new ATOM 0 HA LEU A 778 6.818 1.632 3.307 1.00 0.00 H new ATOM 0 HB2 LEU A 778 4.466 2.627 2.925 1.00 0.00 H new ATOM 0 HB3 LEU A 778 4.865 3.764 4.196 1.00 0.00 H new ATOM 0 HG LEU A 778 7.026 4.175 2.716 1.00 0.00 H new ATOM 0 HD11 LEU A 778 6.509 4.021 0.317 1.00 0.00 H new ATOM 0 HD12 LEU A 778 6.536 2.419 1.092 1.00 0.00 H new ATOM 0 HD13 LEU A 778 4.982 3.193 0.704 1.00 0.00 H new ATOM 0 HD21 LEU A 778 5.829 6.012 1.600 1.00 0.00 H new ATOM 0 HD22 LEU A 778 4.276 5.260 2.037 1.00 0.00 H new ATOM 0 HD23 LEU A 778 5.363 5.863 3.311 1.00 0.00 H new ATOM 380 N ASN A 779 6.515 3.008 6.287 1.00 0.00 N ATOM 381 CA ASN A 779 7.267 3.593 7.392 1.00 0.00 C ATOM 382 C ASN A 779 8.341 2.624 7.878 1.00 0.00 C ATOM 383 O ASN A 779 9.438 3.034 8.264 1.00 0.00 O ATOM 384 CB ASN A 779 6.328 3.956 8.543 1.00 0.00 C ATOM 385 CG ASN A 779 5.979 5.429 8.559 1.00 0.00 C ATOM 386 OD1 ASN A 779 6.788 6.268 8.953 1.00 0.00 O ATOM 387 ND2 ASN A 779 4.772 5.758 8.124 1.00 0.00 N ATOM 0 H ASN A 779 5.533 2.826 6.496 1.00 0.00 H new ATOM 0 HA ASN A 779 7.751 4.502 7.035 1.00 0.00 H new ATOM 0 HB2 ASN A 779 5.413 3.369 8.461 1.00 0.00 H new ATOM 0 HB3 ASN A 779 6.796 3.686 9.490 1.00 0.00 H new ATOM 0 HD21 ASN A 779 4.485 6.737 8.108 1.00 0.00 H new ATOM 0 HD22 ASN A 779 4.129 5.033 7.805 1.00 0.00 H new ATOM 394 N GLU A 780 8.014 1.336 7.848 1.00 0.00 N ATOM 395 CA GLU A 780 8.954 0.283 8.213 1.00 0.00 C ATOM 396 C GLU A 780 10.153 0.294 7.279 1.00 0.00 C ATOM 397 O GLU A 780 11.298 0.199 7.713 1.00 0.00 O ATOM 398 CB GLU A 780 8.272 -1.083 8.137 1.00 0.00 C ATOM 399 CG GLU A 780 7.512 -1.456 9.397 1.00 0.00 C ATOM 400 CD GLU A 780 8.416 -2.020 10.469 1.00 0.00 C ATOM 401 OE1 GLU A 780 9.325 -2.808 10.130 1.00 0.00 O ATOM 402 OE2 GLU A 780 8.222 -1.682 11.651 1.00 0.00 O ATOM 0 H GLU A 780 7.094 0.994 7.571 1.00 0.00 H new ATOM 0 HA GLU A 780 9.291 0.466 9.233 1.00 0.00 H new ATOM 0 HB2 GLU A 780 7.583 -1.089 7.292 1.00 0.00 H new ATOM 0 HB3 GLU A 780 9.026 -1.845 7.939 1.00 0.00 H new ATOM 0 HG2 GLU A 780 7.000 -0.575 9.784 1.00 0.00 H new ATOM 0 HG3 GLU A 780 6.743 -2.189 9.151 1.00 0.00 H new ATOM 409 N LEU A 781 9.871 0.405 5.992 1.00 0.00 N ATOM 410 CA LEU A 781 10.908 0.421 4.975 1.00 0.00 C ATOM 411 C LEU A 781 11.696 1.722 5.024 1.00 0.00 C ATOM 412 O LEU A 781 12.920 1.707 4.955 1.00 0.00 O ATOM 413 CB LEU A 781 10.284 0.241 3.593 1.00 0.00 C ATOM 414 CG LEU A 781 11.282 0.148 2.444 1.00 0.00 C ATOM 415 CD1 LEU A 781 11.405 -1.289 1.965 1.00 0.00 C ATOM 416 CD2 LEU A 781 10.861 1.065 1.305 1.00 0.00 C ATOM 0 H LEU A 781 8.923 0.486 5.624 1.00 0.00 H new ATOM 0 HA LEU A 781 11.594 -0.403 5.171 1.00 0.00 H new ATOM 0 HB2 LEU A 781 9.676 -0.663 3.600 1.00 0.00 H new ATOM 0 HB3 LEU A 781 9.611 1.077 3.403 1.00 0.00 H new ATOM 0 HG LEU A 781 12.260 0.472 2.801 1.00 0.00 H new ATOM 0 HD11 LEU A 781 12.121 -1.339 1.145 1.00 0.00 H new ATOM 0 HD12 LEU A 781 11.749 -1.918 2.786 1.00 0.00 H new ATOM 0 HD13 LEU A 781 10.433 -1.642 1.620 1.00 0.00 H new ATOM 0 HD21 LEU A 781 11.582 0.989 0.491 1.00 0.00 H new ATOM 0 HD22 LEU A 781 9.875 0.769 0.945 1.00 0.00 H new ATOM 0 HD23 LEU A 781 10.823 2.094 1.662 1.00 0.00 H new ATOM 428 N LEU A 782 10.994 2.841 5.154 1.00 0.00 N ATOM 429 CA LEU A 782 11.633 4.152 5.185 1.00 0.00 C ATOM 430 C LEU A 782 12.660 4.236 6.310 1.00 0.00 C ATOM 431 O LEU A 782 13.795 4.657 6.090 1.00 0.00 O ATOM 432 CB LEU A 782 10.590 5.259 5.354 1.00 0.00 C ATOM 433 CG LEU A 782 10.478 6.230 4.175 1.00 0.00 C ATOM 434 CD1 LEU A 782 9.527 7.368 4.512 1.00 0.00 C ATOM 435 CD2 LEU A 782 11.847 6.773 3.792 1.00 0.00 C ATOM 0 H LEU A 782 9.978 2.867 5.240 1.00 0.00 H new ATOM 0 HA LEU A 782 12.147 4.290 4.234 1.00 0.00 H new ATOM 0 HB2 LEU A 782 9.616 4.798 5.519 1.00 0.00 H new ATOM 0 HB3 LEU A 782 10.829 5.828 6.252 1.00 0.00 H new ATOM 0 HG LEU A 782 10.077 5.686 3.320 1.00 0.00 H new ATOM 0 HD11 LEU A 782 9.459 8.049 3.663 1.00 0.00 H new ATOM 0 HD12 LEU A 782 8.539 6.963 4.733 1.00 0.00 H new ATOM 0 HD13 LEU A 782 9.900 7.909 5.382 1.00 0.00 H new ATOM 0 HD21 LEU A 782 11.744 7.461 2.953 1.00 0.00 H new ATOM 0 HD22 LEU A 782 12.280 7.300 4.642 1.00 0.00 H new ATOM 0 HD23 LEU A 782 12.499 5.947 3.507 1.00 0.00 H new ATOM 701 N ALA A 801 9.428 7.965 -4.130 1.00 0.00 N ATOM 702 CA ALA A 801 8.578 6.791 -4.183 1.00 0.00 C ATOM 703 C ALA A 801 7.675 6.734 -2.958 1.00 0.00 C ATOM 704 O ALA A 801 6.456 6.598 -3.081 1.00 0.00 O ATOM 705 CB ALA A 801 9.427 5.533 -4.287 1.00 0.00 C ATOM 0 HA ALA A 801 7.946 6.854 -5.069 1.00 0.00 H new ATOM 0 HB1 ALA A 801 8.778 4.658 -4.326 1.00 0.00 H new ATOM 0 HB2 ALA A 801 10.032 5.576 -5.192 1.00 0.00 H new ATOM 0 HB3 ALA A 801 10.080 5.462 -3.417 1.00 0.00 H new ATOM 711 N THR A 802 8.274 6.876 -1.781 1.00 0.00 N ATOM 712 CA THR A 802 7.531 6.810 -0.532 1.00 0.00 C ATOM 713 C THR A 802 6.529 7.958 -0.434 1.00 0.00 C ATOM 714 O THR A 802 5.393 7.766 0.007 1.00 0.00 O ATOM 715 CB THR A 802 8.482 6.842 0.680 1.00 0.00 C ATOM 716 OG1 THR A 802 9.586 7.714 0.414 1.00 0.00 O ATOM 717 CG2 THR A 802 9.007 5.448 0.988 1.00 0.00 C ATOM 0 H THR A 802 9.275 7.038 -1.668 1.00 0.00 H new ATOM 0 HA THR A 802 6.987 5.866 -0.523 1.00 0.00 H new ATOM 0 HB THR A 802 7.924 7.209 1.541 1.00 0.00 H new ATOM 0 HG1 THR A 802 10.185 7.730 1.190 1.00 0.00 H new ATOM 0 HG21 THR A 802 9.677 5.493 1.847 1.00 0.00 H new ATOM 0 HG22 THR A 802 8.171 4.786 1.214 1.00 0.00 H new ATOM 0 HG23 THR A 802 9.550 5.065 0.124 1.00 0.00 H new ATOM 725 N ASP A 803 6.951 9.144 -0.868 1.00 0.00 N ATOM 726 CA ASP A 803 6.085 10.323 -0.870 1.00 0.00 C ATOM 727 C ASP A 803 4.853 10.087 -1.728 1.00 0.00 C ATOM 728 O ASP A 803 3.732 10.384 -1.315 1.00 0.00 O ATOM 729 CB ASP A 803 6.842 11.544 -1.392 1.00 0.00 C ATOM 730 CG ASP A 803 6.133 12.843 -1.077 1.00 0.00 C ATOM 731 OD1 ASP A 803 6.344 13.384 0.026 1.00 0.00 O ATOM 732 OD2 ASP A 803 5.370 13.337 -1.934 1.00 0.00 O ATOM 0 H ASP A 803 7.891 9.315 -1.224 1.00 0.00 H new ATOM 0 HA ASP A 803 5.771 10.507 0.157 1.00 0.00 H new ATOM 0 HB2 ASP A 803 7.840 11.563 -0.954 1.00 0.00 H new ATOM 0 HB3 ASP A 803 6.969 11.455 -2.471 1.00 0.00 H new ATOM 737 N THR A 804 5.068 9.540 -2.920 1.00 0.00 N ATOM 738 CA THR A 804 3.975 9.253 -3.841 1.00 0.00 C ATOM 739 C THR A 804 2.973 8.292 -3.209 1.00 0.00 C ATOM 740 O THR A 804 1.763 8.526 -3.255 1.00 0.00 O ATOM 741 CB THR A 804 4.503 8.663 -5.166 1.00 0.00 C ATOM 742 OG1 THR A 804 5.483 9.545 -5.734 1.00 0.00 O ATOM 743 CG2 THR A 804 3.372 8.450 -6.165 1.00 0.00 C ATOM 0 H THR A 804 5.991 9.286 -3.271 1.00 0.00 H new ATOM 0 HA THR A 804 3.472 10.195 -4.058 1.00 0.00 H new ATOM 0 HB THR A 804 4.956 7.696 -4.948 1.00 0.00 H new ATOM 0 HG1 THR A 804 5.817 9.166 -6.574 1.00 0.00 H new ATOM 0 HG21 THR A 804 3.775 8.034 -7.088 1.00 0.00 H new ATOM 0 HG22 THR A 804 2.641 7.760 -5.745 1.00 0.00 H new ATOM 0 HG23 THR A 804 2.890 9.404 -6.378 1.00 0.00 H new ATOM 751 N ILE A 805 3.487 7.234 -2.595 1.00 0.00 N ATOM 752 CA ILE A 805 2.644 6.237 -1.954 1.00 0.00 C ATOM 753 C ILE A 805 1.877 6.840 -0.783 1.00 0.00 C ATOM 754 O ILE A 805 0.649 6.812 -0.768 1.00 0.00 O ATOM 755 CB ILE A 805 3.476 5.029 -1.467 1.00 0.00 C ATOM 756 CG1 ILE A 805 3.847 4.141 -2.650 1.00 0.00 C ATOM 757 CG2 ILE A 805 2.720 4.220 -0.419 1.00 0.00 C ATOM 758 CD1 ILE A 805 5.291 3.713 -2.642 1.00 0.00 C ATOM 0 H ILE A 805 4.487 7.045 -2.528 1.00 0.00 H new ATOM 0 HA ILE A 805 1.930 5.889 -2.701 1.00 0.00 H new ATOM 0 HB ILE A 805 4.386 5.410 -1.003 1.00 0.00 H new ATOM 0 HG12 ILE A 805 3.212 3.255 -2.644 1.00 0.00 H new ATOM 0 HG13 ILE A 805 3.639 4.676 -3.577 1.00 0.00 H new ATOM 0 HG21 ILE A 805 3.333 3.378 -0.098 1.00 0.00 H new ATOM 0 HG22 ILE A 805 2.496 4.854 0.439 1.00 0.00 H new ATOM 0 HG23 ILE A 805 1.789 3.849 -0.848 1.00 0.00 H new ATOM 0 HD11 ILE A 805 5.489 3.084 -3.510 1.00 0.00 H new ATOM 0 HD12 ILE A 805 5.932 4.594 -2.679 1.00 0.00 H new ATOM 0 HD13 ILE A 805 5.499 3.151 -1.731 1.00 0.00 H new ATOM 770 N LEU A 806 2.608 7.402 0.177 1.00 0.00 N ATOM 771 CA LEU A 806 2.003 7.941 1.398 1.00 0.00 C ATOM 772 C LEU A 806 0.914 8.959 1.085 1.00 0.00 C ATOM 773 O LEU A 806 -0.158 8.930 1.689 1.00 0.00 O ATOM 774 CB LEU A 806 3.065 8.585 2.289 1.00 0.00 C ATOM 775 CG LEU A 806 3.317 7.868 3.619 1.00 0.00 C ATOM 776 CD1 LEU A 806 4.197 8.715 4.520 1.00 0.00 C ATOM 777 CD2 LEU A 806 2.001 7.544 4.317 1.00 0.00 C ATOM 0 H LEU A 806 3.623 7.497 0.135 1.00 0.00 H new ATOM 0 HA LEU A 806 1.547 7.104 1.927 1.00 0.00 H new ATOM 0 HB2 LEU A 806 4.003 8.631 1.735 1.00 0.00 H new ATOM 0 HB3 LEU A 806 2.767 9.613 2.498 1.00 0.00 H new ATOM 0 HG LEU A 806 3.833 6.931 3.408 1.00 0.00 H new ATOM 0 HD11 LEU A 806 4.366 8.191 5.461 1.00 0.00 H new ATOM 0 HD12 LEU A 806 5.153 8.896 4.029 1.00 0.00 H new ATOM 0 HD13 LEU A 806 3.705 9.667 4.719 1.00 0.00 H new ATOM 0 HD21 LEU A 806 2.205 7.035 5.259 1.00 0.00 H new ATOM 0 HD22 LEU A 806 1.456 8.468 4.514 1.00 0.00 H new ATOM 0 HD23 LEU A 806 1.400 6.897 3.678 1.00 0.00 H new ATOM 789 N THR A 807 1.187 9.851 0.138 1.00 0.00 N ATOM 790 CA THR A 807 0.207 10.847 -0.271 1.00 0.00 C ATOM 791 C THR A 807 -1.062 10.173 -0.794 1.00 0.00 C ATOM 792 O THR A 807 -2.170 10.646 -0.551 1.00 0.00 O ATOM 793 CB THR A 807 0.785 11.787 -1.350 1.00 0.00 C ATOM 794 OG1 THR A 807 2.029 12.338 -0.895 1.00 0.00 O ATOM 795 CG2 THR A 807 -0.183 12.917 -1.673 1.00 0.00 C ATOM 0 H THR A 807 2.077 9.903 -0.358 1.00 0.00 H new ATOM 0 HA THR A 807 -0.044 11.442 0.607 1.00 0.00 H new ATOM 0 HB THR A 807 0.946 11.204 -2.257 1.00 0.00 H new ATOM 0 HG1 THR A 807 2.742 11.675 -1.009 1.00 0.00 H new ATOM 0 HG21 THR A 807 0.252 13.562 -2.436 1.00 0.00 H new ATOM 0 HG22 THR A 807 -1.120 12.499 -2.042 1.00 0.00 H new ATOM 0 HG23 THR A 807 -0.376 13.500 -0.772 1.00 0.00 H new ATOM 803 N VAL A 808 -0.892 9.049 -1.480 1.00 0.00 N ATOM 804 CA VAL A 808 -2.016 8.309 -2.038 1.00 0.00 C ATOM 805 C VAL A 808 -2.797 7.584 -0.936 1.00 0.00 C ATOM 806 O VAL A 808 -4.023 7.668 -0.881 1.00 0.00 O ATOM 807 CB VAL A 808 -1.544 7.287 -3.101 1.00 0.00 C ATOM 808 CG1 VAL A 808 -2.585 6.199 -3.326 1.00 0.00 C ATOM 809 CG2 VAL A 808 -1.219 7.989 -4.410 1.00 0.00 C ATOM 0 H VAL A 808 0.019 8.629 -1.664 1.00 0.00 H new ATOM 0 HA VAL A 808 -2.673 9.033 -2.519 1.00 0.00 H new ATOM 0 HB VAL A 808 -0.638 6.811 -2.725 1.00 0.00 H new ATOM 0 HG11 VAL A 808 -2.222 5.498 -4.078 1.00 0.00 H new ATOM 0 HG12 VAL A 808 -2.764 5.668 -2.391 1.00 0.00 H new ATOM 0 HG13 VAL A 808 -3.515 6.651 -3.670 1.00 0.00 H new ATOM 0 HG21 VAL A 808 -0.889 7.254 -5.145 1.00 0.00 H new ATOM 0 HG22 VAL A 808 -2.109 8.498 -4.780 1.00 0.00 H new ATOM 0 HG23 VAL A 808 -0.426 8.718 -4.245 1.00 0.00 H new ATOM 819 N THR A 809 -2.086 6.884 -0.054 1.00 0.00 N ATOM 820 CA THR A 809 -2.731 6.162 1.037 1.00 0.00 C ATOM 821 C THR A 809 -3.455 7.134 1.963 1.00 0.00 C ATOM 822 O THR A 809 -4.592 6.887 2.377 1.00 0.00 O ATOM 823 CB THR A 809 -1.715 5.342 1.853 1.00 0.00 C ATOM 824 OG1 THR A 809 -0.498 5.197 1.111 1.00 0.00 O ATOM 825 CG2 THR A 809 -2.276 3.970 2.187 1.00 0.00 C ATOM 0 H THR A 809 -1.069 6.802 -0.074 1.00 0.00 H new ATOM 0 HA THR A 809 -3.450 5.475 0.591 1.00 0.00 H new ATOM 0 HB THR A 809 -1.513 5.872 2.784 1.00 0.00 H new ATOM 0 HG1 THR A 809 0.145 4.676 1.636 1.00 0.00 H new ATOM 0 HG21 THR A 809 -1.542 3.407 2.764 1.00 0.00 H new ATOM 0 HG22 THR A 809 -3.188 4.083 2.772 1.00 0.00 H new ATOM 0 HG23 THR A 809 -2.501 3.434 1.265 1.00 0.00 H new ATOM 833 N GLU A 810 -2.794 8.246 2.265 1.00 0.00 N ATOM 834 CA GLU A 810 -3.396 9.309 3.054 1.00 0.00 C ATOM 835 C GLU A 810 -4.630 9.852 2.332 1.00 0.00 C ATOM 836 O GLU A 810 -5.654 10.132 2.953 1.00 0.00 O ATOM 837 CB GLU A 810 -2.365 10.421 3.312 1.00 0.00 C ATOM 838 CG GLU A 810 -2.975 11.776 3.645 1.00 0.00 C ATOM 839 CD GLU A 810 -2.757 12.179 5.090 1.00 0.00 C ATOM 840 OE1 GLU A 810 -1.601 12.130 5.562 1.00 0.00 O ATOM 841 OE2 GLU A 810 -3.742 12.560 5.760 1.00 0.00 O ATOM 0 H GLU A 810 -1.835 8.433 1.972 1.00 0.00 H new ATOM 0 HA GLU A 810 -3.712 8.913 4.019 1.00 0.00 H new ATOM 0 HB2 GLU A 810 -1.717 10.116 4.133 1.00 0.00 H new ATOM 0 HB3 GLU A 810 -1.734 10.527 2.430 1.00 0.00 H new ATOM 0 HG2 GLU A 810 -2.543 12.534 2.992 1.00 0.00 H new ATOM 0 HG3 GLU A 810 -4.045 11.749 3.438 1.00 0.00 H new ATOM 848 N ASN A 811 -4.533 9.961 1.007 1.00 0.00 N ATOM 849 CA ASN A 811 -5.648 10.416 0.177 1.00 0.00 C ATOM 850 C ASN A 811 -6.850 9.501 0.333 1.00 0.00 C ATOM 851 O ASN A 811 -7.976 9.967 0.475 1.00 0.00 O ATOM 852 CB ASN A 811 -5.250 10.447 -1.300 1.00 0.00 C ATOM 853 CG ASN A 811 -4.896 11.830 -1.792 1.00 0.00 C ATOM 854 OD1 ASN A 811 -5.555 12.816 -1.455 1.00 0.00 O ATOM 855 ND2 ASN A 811 -3.852 11.907 -2.598 1.00 0.00 N ATOM 0 H ASN A 811 -3.687 9.738 0.483 1.00 0.00 H new ATOM 0 HA ASN A 811 -5.908 11.421 0.509 1.00 0.00 H new ATOM 0 HB2 ASN A 811 -4.398 9.785 -1.454 1.00 0.00 H new ATOM 0 HB3 ASN A 811 -6.072 10.054 -1.899 1.00 0.00 H new ATOM 0 HD21 ASN A 811 -3.560 12.811 -2.970 1.00 0.00 H new ATOM 0 HD22 ASN A 811 -3.338 11.063 -2.849 1.00 0.00 H new ATOM 862 N ILE A 812 -6.598 8.197 0.304 1.00 0.00 N ATOM 863 CA ILE A 812 -7.657 7.200 0.414 1.00 0.00 C ATOM 864 C ILE A 812 -8.426 7.363 1.725 1.00 0.00 C ATOM 865 O ILE A 812 -9.641 7.176 1.769 1.00 0.00 O ATOM 866 CB ILE A 812 -7.081 5.765 0.290 1.00 0.00 C ATOM 867 CG1 ILE A 812 -6.977 5.375 -1.185 1.00 0.00 C ATOM 868 CG2 ILE A 812 -7.930 4.748 1.045 1.00 0.00 C ATOM 869 CD1 ILE A 812 -5.613 4.854 -1.580 1.00 0.00 C ATOM 0 H ILE A 812 -5.662 7.803 0.204 1.00 0.00 H new ATOM 0 HA ILE A 812 -8.354 7.358 -0.409 1.00 0.00 H new ATOM 0 HB ILE A 812 -6.088 5.761 0.740 1.00 0.00 H new ATOM 0 HG12 ILE A 812 -7.725 4.613 -1.404 1.00 0.00 H new ATOM 0 HG13 ILE A 812 -7.217 6.243 -1.799 1.00 0.00 H new ATOM 0 HG21 ILE A 812 -7.494 3.755 0.934 1.00 0.00 H new ATOM 0 HG22 ILE A 812 -7.962 5.014 2.102 1.00 0.00 H new ATOM 0 HG23 ILE A 812 -8.942 4.747 0.640 1.00 0.00 H new ATOM 0 HD11 ILE A 812 -5.614 4.598 -2.639 1.00 0.00 H new ATOM 0 HD12 ILE A 812 -4.862 5.622 -1.393 1.00 0.00 H new ATOM 0 HD13 ILE A 812 -5.378 3.967 -0.992 1.00 0.00 H new ATOM 881 N PHE A 813 -7.719 7.739 2.783 1.00 0.00 N ATOM 882 CA PHE A 813 -8.352 7.990 4.071 1.00 0.00 C ATOM 883 C PHE A 813 -9.262 9.213 3.991 1.00 0.00 C ATOM 884 O PHE A 813 -10.388 9.196 4.487 1.00 0.00 O ATOM 885 CB PHE A 813 -7.293 8.196 5.155 1.00 0.00 C ATOM 886 CG PHE A 813 -6.701 6.915 5.664 1.00 0.00 C ATOM 887 CD1 PHE A 813 -7.516 5.906 6.151 1.00 0.00 C ATOM 888 CD2 PHE A 813 -5.330 6.720 5.655 1.00 0.00 C ATOM 889 CE1 PHE A 813 -6.974 4.725 6.618 1.00 0.00 C ATOM 890 CE2 PHE A 813 -4.783 5.541 6.122 1.00 0.00 C ATOM 891 CZ PHE A 813 -5.607 4.542 6.604 1.00 0.00 C ATOM 0 H PHE A 813 -6.708 7.877 2.775 1.00 0.00 H new ATOM 0 HA PHE A 813 -8.956 7.121 4.330 1.00 0.00 H new ATOM 0 HB2 PHE A 813 -6.495 8.823 4.758 1.00 0.00 H new ATOM 0 HB3 PHE A 813 -7.739 8.738 5.989 1.00 0.00 H new ATOM 0 HD1 PHE A 813 -8.587 6.045 6.166 1.00 0.00 H new ATOM 0 HD2 PHE A 813 -4.682 7.498 5.279 1.00 0.00 H new ATOM 0 HE1 PHE A 813 -7.620 3.945 6.994 1.00 0.00 H new ATOM 0 HE2 PHE A 813 -3.712 5.400 6.110 1.00 0.00 H new ATOM 0 HZ PHE A 813 -5.181 3.619 6.969 1.00 0.00 H new ATOM 901 N SER A 814 -8.770 10.270 3.358 1.00 0.00 N ATOM 902 CA SER A 814 -9.534 11.503 3.206 1.00 0.00 C ATOM 903 C SER A 814 -10.690 11.331 2.218 1.00 0.00 C ATOM 904 O SER A 814 -11.746 11.946 2.371 1.00 0.00 O ATOM 905 CB SER A 814 -8.607 12.622 2.735 1.00 0.00 C ATOM 906 OG SER A 814 -7.271 12.367 3.134 1.00 0.00 O ATOM 0 H SER A 814 -7.840 10.299 2.939 1.00 0.00 H new ATOM 0 HA SER A 814 -9.962 11.760 4.175 1.00 0.00 H new ATOM 0 HB2 SER A 814 -8.657 12.710 1.650 1.00 0.00 H new ATOM 0 HB3 SER A 814 -8.940 13.574 3.148 1.00 0.00 H new ATOM 0 HG SER A 814 -6.692 13.093 2.822 1.00 0.00 H new ATOM 912 N SER A 815 -10.488 10.488 1.214 1.00 0.00 N ATOM 913 CA SER A 815 -11.500 10.253 0.191 1.00 0.00 C ATOM 914 C SER A 815 -12.326 9.010 0.514 1.00 0.00 C ATOM 915 O SER A 815 -13.040 8.490 -0.343 1.00 0.00 O ATOM 916 CB SER A 815 -10.836 10.098 -1.182 1.00 0.00 C ATOM 917 OG SER A 815 -9.713 10.959 -1.309 1.00 0.00 O ATOM 0 H SER A 815 -9.629 9.953 1.085 1.00 0.00 H new ATOM 0 HA SER A 815 -12.169 11.113 0.171 1.00 0.00 H new ATOM 0 HB2 SER A 815 -10.522 9.064 -1.323 1.00 0.00 H new ATOM 0 HB3 SER A 815 -11.559 10.321 -1.966 1.00 0.00 H new ATOM 0 HG SER A 815 -8.918 10.515 -0.947 1.00 0.00 H new ATOM 923 N MET A 816 -12.218 8.537 1.754 1.00 0.00 N ATOM 924 CA MET A 816 -12.955 7.357 2.192 1.00 0.00 C ATOM 925 C MET A 816 -14.454 7.576 2.040 1.00 0.00 C ATOM 926 O MET A 816 -15.036 8.460 2.672 1.00 0.00 O ATOM 927 CB MET A 816 -12.623 7.020 3.645 1.00 0.00 C ATOM 928 CG MET A 816 -12.679 5.532 3.943 1.00 0.00 C ATOM 929 SD MET A 816 -12.102 5.130 5.601 1.00 0.00 S ATOM 930 CE MET A 816 -10.611 4.213 5.220 1.00 0.00 C ATOM 0 H MET A 816 -11.626 8.954 2.472 1.00 0.00 H new ATOM 0 HA MET A 816 -12.655 6.519 1.562 1.00 0.00 H new ATOM 0 HB2 MET A 816 -11.626 7.393 3.879 1.00 0.00 H new ATOM 0 HB3 MET A 816 -13.320 7.542 4.300 1.00 0.00 H new ATOM 0 HG2 MET A 816 -13.704 5.181 3.825 1.00 0.00 H new ATOM 0 HG3 MET A 816 -12.073 4.997 3.212 1.00 0.00 H new ATOM 0 HE1 MET A 816 -10.134 3.892 6.146 1.00 0.00 H new ATOM 0 HE2 MET A 816 -10.865 3.338 4.621 1.00 0.00 H new ATOM 0 HE3 MET A 816 -9.925 4.849 4.661 1.00 0.00 H new ATOM 940 N GLY A 817 -15.062 6.770 1.191 1.00 0.00 N ATOM 941 CA GLY A 817 -16.463 6.930 0.874 1.00 0.00 C ATOM 942 C GLY A 817 -16.656 7.013 -0.620 1.00 0.00 C ATOM 943 O GLY A 817 -17.562 6.395 -1.183 1.00 0.00 O ATOM 0 H GLY A 817 -14.604 5.997 0.709 1.00 0.00 H new ATOM 0 HA2 GLY A 817 -17.032 6.091 1.275 1.00 0.00 H new ATOM 0 HA3 GLY A 817 -16.849 7.832 1.348 1.00 0.00 H new ATOM 947 N ASP A 818 -15.773 7.759 -1.268 1.00 0.00 N ATOM 948 CA ASP A 818 -15.749 7.827 -2.717 1.00 0.00 C ATOM 949 C ASP A 818 -14.892 6.692 -3.248 1.00 0.00 C ATOM 950 O ASP A 818 -13.743 6.890 -3.644 1.00 0.00 O ATOM 951 CB ASP A 818 -15.201 9.173 -3.195 1.00 0.00 C ATOM 952 CG ASP A 818 -15.531 9.460 -4.650 1.00 0.00 C ATOM 953 OD1 ASP A 818 -15.713 8.504 -5.434 1.00 0.00 O ATOM 954 OD2 ASP A 818 -15.608 10.651 -5.016 1.00 0.00 O ATOM 0 H ASP A 818 -15.062 8.327 -0.808 1.00 0.00 H new ATOM 0 HA ASP A 818 -16.767 7.731 -3.095 1.00 0.00 H new ATOM 0 HB2 ASP A 818 -15.609 9.968 -2.571 1.00 0.00 H new ATOM 0 HB3 ASP A 818 -14.119 9.187 -3.063 1.00 0.00 H new ATOM 959 N ALA A 819 -15.459 5.493 -3.219 1.00 0.00 N ATOM 960 CA ALA A 819 -14.754 4.292 -3.641 1.00 0.00 C ATOM 961 C ALA A 819 -14.249 4.411 -5.072 1.00 0.00 C ATOM 962 O ALA A 819 -13.223 3.833 -5.420 1.00 0.00 O ATOM 963 CB ALA A 819 -15.654 3.083 -3.498 1.00 0.00 C ATOM 0 H ALA A 819 -16.415 5.327 -2.904 1.00 0.00 H new ATOM 0 HA ALA A 819 -13.885 4.170 -2.995 1.00 0.00 H new ATOM 0 HB1 ALA A 819 -15.117 2.190 -3.816 1.00 0.00 H new ATOM 0 HB2 ALA A 819 -15.954 2.974 -2.456 1.00 0.00 H new ATOM 0 HB3 ALA A 819 -16.540 3.214 -4.119 1.00 0.00 H new ATOM 969 N GLY A 820 -14.961 5.178 -5.890 1.00 0.00 N ATOM 970 CA GLY A 820 -14.552 5.373 -7.264 1.00 0.00 C ATOM 971 C GLY A 820 -13.197 6.041 -7.350 1.00 0.00 C ATOM 972 O GLY A 820 -12.314 5.586 -8.079 1.00 0.00 O ATOM 0 H GLY A 820 -15.815 5.668 -5.623 1.00 0.00 H new ATOM 0 HA2 GLY A 820 -14.517 4.411 -7.774 1.00 0.00 H new ATOM 0 HA3 GLY A 820 -15.293 5.982 -7.782 1.00 0.00 H new ATOM 976 N GLU A 821 -13.022 7.118 -6.592 1.00 0.00 N ATOM 977 CA GLU A 821 -11.736 7.796 -6.525 1.00 0.00 C ATOM 978 C GLU A 821 -10.725 6.925 -5.789 1.00 0.00 C ATOM 979 O GLU A 821 -9.560 6.846 -6.174 1.00 0.00 O ATOM 980 CB GLU A 821 -11.874 9.147 -5.818 1.00 0.00 C ATOM 981 CG GLU A 821 -10.558 9.897 -5.674 1.00 0.00 C ATOM 982 CD GLU A 821 -10.688 11.370 -5.991 1.00 0.00 C ATOM 983 OE1 GLU A 821 -11.195 12.127 -5.139 1.00 0.00 O ATOM 984 OE2 GLU A 821 -10.285 11.782 -7.099 1.00 0.00 O ATOM 0 H GLU A 821 -13.753 7.538 -6.018 1.00 0.00 H new ATOM 0 HA GLU A 821 -11.385 7.971 -7.542 1.00 0.00 H new ATOM 0 HB2 GLU A 821 -12.577 9.768 -6.373 1.00 0.00 H new ATOM 0 HB3 GLU A 821 -12.302 8.988 -4.828 1.00 0.00 H new ATOM 0 HG2 GLU A 821 -10.187 9.780 -4.656 1.00 0.00 H new ATOM 0 HG3 GLU A 821 -9.816 9.451 -6.336 1.00 0.00 H new ATOM 991 N MET A 822 -11.190 6.259 -4.737 1.00 0.00 N ATOM 992 CA MET A 822 -10.342 5.383 -3.935 1.00 0.00 C ATOM 993 C MET A 822 -9.680 4.312 -4.799 1.00 0.00 C ATOM 994 O MET A 822 -8.484 4.059 -4.672 1.00 0.00 O ATOM 995 CB MET A 822 -11.161 4.720 -2.829 1.00 0.00 C ATOM 996 CG MET A 822 -11.286 5.561 -1.569 1.00 0.00 C ATOM 997 SD MET A 822 -12.573 4.952 -0.460 1.00 0.00 S ATOM 998 CE MET A 822 -12.301 3.185 -0.568 1.00 0.00 C ATOM 0 H MET A 822 -12.157 6.310 -4.418 1.00 0.00 H new ATOM 0 HA MET A 822 -9.559 5.995 -3.487 1.00 0.00 H new ATOM 0 HB2 MET A 822 -12.159 4.502 -3.210 1.00 0.00 H new ATOM 0 HB3 MET A 822 -10.702 3.765 -2.573 1.00 0.00 H new ATOM 0 HG2 MET A 822 -10.331 5.568 -1.044 1.00 0.00 H new ATOM 0 HG3 MET A 822 -11.506 6.593 -1.844 1.00 0.00 H new ATOM 0 HE1 MET A 822 -12.639 2.708 0.352 1.00 0.00 H new ATOM 0 HE2 MET A 822 -12.860 2.782 -1.413 1.00 0.00 H new ATOM 0 HE3 MET A 822 -11.238 2.988 -0.709 1.00 0.00 H new ATOM 1008 N VAL A 823 -10.460 3.694 -5.683 1.00 0.00 N ATOM 1009 CA VAL A 823 -9.939 2.668 -6.581 1.00 0.00 C ATOM 1010 C VAL A 823 -8.896 3.255 -7.529 1.00 0.00 C ATOM 1011 O VAL A 823 -7.873 2.629 -7.812 1.00 0.00 O ATOM 1012 CB VAL A 823 -11.068 2.005 -7.406 1.00 0.00 C ATOM 1013 CG1 VAL A 823 -10.498 1.104 -8.493 1.00 0.00 C ATOM 1014 CG2 VAL A 823 -11.996 1.215 -6.497 1.00 0.00 C ATOM 0 H VAL A 823 -11.455 3.886 -5.796 1.00 0.00 H new ATOM 0 HA VAL A 823 -9.472 1.905 -5.958 1.00 0.00 H new ATOM 0 HB VAL A 823 -11.640 2.797 -7.890 1.00 0.00 H new ATOM 0 HG11 VAL A 823 -11.314 0.652 -9.056 1.00 0.00 H new ATOM 0 HG12 VAL A 823 -9.876 1.694 -9.166 1.00 0.00 H new ATOM 0 HG13 VAL A 823 -9.895 0.320 -8.036 1.00 0.00 H new ATOM 0 HG21 VAL A 823 -12.784 0.755 -7.093 1.00 0.00 H new ATOM 0 HG22 VAL A 823 -11.429 0.438 -5.984 1.00 0.00 H new ATOM 0 HG23 VAL A 823 -12.441 1.885 -5.761 1.00 0.00 H new ATOM 1024 N ARG A 824 -9.156 4.463 -8.012 1.00 0.00 N ATOM 1025 CA ARG A 824 -8.218 5.149 -8.892 1.00 0.00 C ATOM 1026 C ARG A 824 -6.913 5.416 -8.157 1.00 0.00 C ATOM 1027 O ARG A 824 -5.831 5.125 -8.666 1.00 0.00 O ATOM 1028 CB ARG A 824 -8.814 6.462 -9.396 1.00 0.00 C ATOM 1029 CG ARG A 824 -8.176 6.960 -10.682 1.00 0.00 C ATOM 1030 CD ARG A 824 -7.716 8.402 -10.549 1.00 0.00 C ATOM 1031 NE ARG A 824 -8.778 9.344 -10.896 1.00 0.00 N ATOM 1032 CZ ARG A 824 -9.316 10.216 -10.045 1.00 0.00 C ATOM 1033 NH1 ARG A 824 -8.893 10.281 -8.789 1.00 0.00 N ATOM 1034 NH2 ARG A 824 -10.283 11.021 -10.457 1.00 0.00 N ATOM 0 H ARG A 824 -10.007 4.988 -7.810 1.00 0.00 H new ATOM 0 HA ARG A 824 -8.018 4.508 -9.751 1.00 0.00 H new ATOM 0 HB2 ARG A 824 -9.884 6.328 -9.558 1.00 0.00 H new ATOM 0 HB3 ARG A 824 -8.701 7.224 -8.624 1.00 0.00 H new ATOM 0 HG2 ARG A 824 -7.326 6.327 -10.937 1.00 0.00 H new ATOM 0 HG3 ARG A 824 -8.891 6.878 -11.500 1.00 0.00 H new ATOM 0 HD2 ARG A 824 -7.387 8.586 -9.526 1.00 0.00 H new ATOM 0 HD3 ARG A 824 -6.855 8.570 -11.196 1.00 0.00 H new ATOM 0 HE ARG A 824 -9.131 9.333 -11.853 1.00 0.00 H new ATOM 0 HH11 ARG A 824 -8.150 9.660 -8.468 1.00 0.00 H new ATOM 0 HH12 ARG A 824 -9.311 10.952 -8.144 1.00 0.00 H new ATOM 0 HH21 ARG A 824 -10.612 10.971 -11.421 1.00 0.00 H new ATOM 0 HH22 ARG A 824 -10.699 11.691 -9.810 1.00 0.00 H new ATOM 1048 N GLN A 825 -7.032 5.954 -6.951 1.00 0.00 N ATOM 1049 CA GLN A 825 -5.872 6.237 -6.116 1.00 0.00 C ATOM 1050 C GLN A 825 -5.116 4.947 -5.815 1.00 0.00 C ATOM 1051 O GLN A 825 -3.888 4.904 -5.887 1.00 0.00 O ATOM 1052 CB GLN A 825 -6.307 6.911 -4.808 1.00 0.00 C ATOM 1053 CG GLN A 825 -6.531 8.419 -4.909 1.00 0.00 C ATOM 1054 CD GLN A 825 -6.504 8.948 -6.332 1.00 0.00 C ATOM 1055 OE1 GLN A 825 -7.448 8.760 -7.099 1.00 0.00 O ATOM 1056 NE2 GLN A 825 -5.427 9.621 -6.694 1.00 0.00 N ATOM 0 H GLN A 825 -7.925 6.205 -6.527 1.00 0.00 H new ATOM 0 HA GLN A 825 -5.212 6.916 -6.655 1.00 0.00 H new ATOM 0 HB2 GLN A 825 -7.229 6.443 -4.464 1.00 0.00 H new ATOM 0 HB3 GLN A 825 -5.549 6.720 -4.048 1.00 0.00 H new ATOM 0 HG2 GLN A 825 -7.492 8.665 -4.458 1.00 0.00 H new ATOM 0 HG3 GLN A 825 -5.765 8.931 -4.326 1.00 0.00 H new ATOM 0 HE21 GLN A 825 -4.664 9.757 -6.031 1.00 0.00 H new ATOM 0 HE22 GLN A 825 -5.358 10.005 -7.637 1.00 0.00 H new ATOM 1065 N ALA A 826 -5.863 3.894 -5.502 1.00 0.00 N ATOM 1066 CA ALA A 826 -5.280 2.589 -5.220 1.00 0.00 C ATOM 1067 C ALA A 826 -4.527 2.046 -6.435 1.00 0.00 C ATOM 1068 O ALA A 826 -3.517 1.357 -6.291 1.00 0.00 O ATOM 1069 CB ALA A 826 -6.361 1.614 -4.778 1.00 0.00 C ATOM 0 H ALA A 826 -6.881 3.920 -5.437 1.00 0.00 H new ATOM 0 HA ALA A 826 -4.561 2.706 -4.409 1.00 0.00 H new ATOM 0 HB1 ALA A 826 -5.912 0.643 -4.570 1.00 0.00 H new ATOM 0 HB2 ALA A 826 -6.844 1.991 -3.876 1.00 0.00 H new ATOM 0 HB3 ALA A 826 -7.102 1.509 -5.570 1.00 0.00 H new ATOM 1075 N ARG A 827 -5.017 2.362 -7.630 1.00 0.00 N ATOM 1076 CA ARG A 827 -4.350 1.951 -8.864 1.00 0.00 C ATOM 1077 C ARG A 827 -2.995 2.643 -8.983 1.00 0.00 C ATOM 1078 O ARG A 827 -2.005 2.035 -9.399 1.00 0.00 O ATOM 1079 CB ARG A 827 -5.219 2.279 -10.080 1.00 0.00 C ATOM 1080 CG ARG A 827 -5.858 1.056 -10.719 1.00 0.00 C ATOM 1081 CD ARG A 827 -7.371 1.171 -10.745 1.00 0.00 C ATOM 1082 NE ARG A 827 -7.895 1.254 -12.106 1.00 0.00 N ATOM 1083 CZ ARG A 827 -8.802 2.150 -12.498 1.00 0.00 C ATOM 1084 NH1 ARG A 827 -9.283 3.034 -11.635 1.00 0.00 N ATOM 1085 NH2 ARG A 827 -9.231 2.165 -13.750 1.00 0.00 N ATOM 0 H ARG A 827 -5.872 2.900 -7.771 1.00 0.00 H new ATOM 0 HA ARG A 827 -4.195 0.873 -8.832 1.00 0.00 H new ATOM 0 HB2 ARG A 827 -6.004 2.973 -9.779 1.00 0.00 H new ATOM 0 HB3 ARG A 827 -4.609 2.791 -10.824 1.00 0.00 H new ATOM 0 HG2 ARG A 827 -5.483 0.937 -11.736 1.00 0.00 H new ATOM 0 HG3 ARG A 827 -5.569 0.162 -10.166 1.00 0.00 H new ATOM 0 HD2 ARG A 827 -7.808 0.309 -10.241 1.00 0.00 H new ATOM 0 HD3 ARG A 827 -7.676 2.055 -10.186 1.00 0.00 H new ATOM 0 HE ARG A 827 -7.547 0.588 -12.796 1.00 0.00 H new ATOM 0 HH11 ARG A 827 -8.960 3.030 -10.668 1.00 0.00 H new ATOM 0 HH12 ARG A 827 -9.976 3.718 -11.938 1.00 0.00 H new ATOM 0 HH21 ARG A 827 -8.868 1.489 -14.422 1.00 0.00 H new ATOM 0 HH22 ARG A 827 -9.925 2.853 -14.043 1.00 0.00 H new ATOM 1099 N ILE A 828 -2.960 3.916 -8.606 1.00 0.00 N ATOM 1100 CA ILE A 828 -1.715 4.670 -8.567 1.00 0.00 C ATOM 1101 C ILE A 828 -0.791 4.096 -7.497 1.00 0.00 C ATOM 1102 O ILE A 828 0.421 3.989 -7.694 1.00 0.00 O ATOM 1103 CB ILE A 828 -1.974 6.167 -8.289 1.00 0.00 C ATOM 1104 CG1 ILE A 828 -2.856 6.762 -9.389 1.00 0.00 C ATOM 1105 CG2 ILE A 828 -0.662 6.935 -8.189 1.00 0.00 C ATOM 1106 CD1 ILE A 828 -3.934 7.686 -8.868 1.00 0.00 C ATOM 0 H ILE A 828 -3.783 4.448 -8.322 1.00 0.00 H new ATOM 0 HA ILE A 828 -1.238 4.584 -9.543 1.00 0.00 H new ATOM 0 HB ILE A 828 -2.493 6.255 -7.334 1.00 0.00 H new ATOM 0 HG12 ILE A 828 -2.227 7.310 -10.090 1.00 0.00 H new ATOM 0 HG13 ILE A 828 -3.323 5.951 -9.947 1.00 0.00 H new ATOM 0 HG21 ILE A 828 -0.870 7.987 -7.993 1.00 0.00 H new ATOM 0 HG22 ILE A 828 -0.062 6.526 -7.376 1.00 0.00 H new ATOM 0 HG23 ILE A 828 -0.114 6.842 -9.127 1.00 0.00 H new ATOM 0 HD11 ILE A 828 -4.519 8.070 -9.704 1.00 0.00 H new ATOM 0 HD12 ILE A 828 -4.587 7.137 -8.189 1.00 0.00 H new ATOM 0 HD13 ILE A 828 -3.474 8.518 -8.335 1.00 0.00 H new ATOM 1118 N LEU A 829 -1.382 3.717 -6.369 1.00 0.00 N ATOM 1119 CA LEU A 829 -0.651 3.075 -5.283 1.00 0.00 C ATOM 1120 C LEU A 829 0.039 1.808 -5.779 1.00 0.00 C ATOM 1121 O LEU A 829 1.232 1.614 -5.554 1.00 0.00 O ATOM 1122 CB LEU A 829 -1.611 2.740 -4.133 1.00 0.00 C ATOM 1123 CG LEU A 829 -0.974 2.123 -2.884 1.00 0.00 C ATOM 1124 CD1 LEU A 829 0.279 2.885 -2.480 1.00 0.00 C ATOM 1125 CD2 LEU A 829 -1.974 2.109 -1.739 1.00 0.00 C ATOM 0 H LEU A 829 -2.377 3.845 -6.182 1.00 0.00 H new ATOM 0 HA LEU A 829 0.112 3.763 -4.920 1.00 0.00 H new ATOM 0 HB2 LEU A 829 -2.127 3.654 -3.839 1.00 0.00 H new ATOM 0 HB3 LEU A 829 -2.369 2.052 -4.508 1.00 0.00 H new ATOM 0 HG LEU A 829 -0.688 1.097 -3.117 1.00 0.00 H new ATOM 0 HD11 LEU A 829 0.712 2.427 -1.591 1.00 0.00 H new ATOM 0 HD12 LEU A 829 1.003 2.853 -3.294 1.00 0.00 H new ATOM 0 HD13 LEU A 829 0.021 3.922 -2.265 1.00 0.00 H new ATOM 0 HD21 LEU A 829 -1.510 1.668 -0.856 1.00 0.00 H new ATOM 0 HD22 LEU A 829 -2.284 3.129 -1.515 1.00 0.00 H new ATOM 0 HD23 LEU A 829 -2.845 1.519 -2.024 1.00 0.00 H new ATOM 1137 N ALA A 830 -0.714 0.969 -6.483 1.00 0.00 N ATOM 1138 CA ALA A 830 -0.177 -0.277 -7.028 1.00 0.00 C ATOM 1139 C ALA A 830 1.005 -0.003 -7.950 1.00 0.00 C ATOM 1140 O ALA A 830 2.003 -0.726 -7.933 1.00 0.00 O ATOM 1141 CB ALA A 830 -1.264 -1.036 -7.769 1.00 0.00 C ATOM 0 H ALA A 830 -1.700 1.128 -6.691 1.00 0.00 H new ATOM 0 HA ALA A 830 0.177 -0.890 -6.199 1.00 0.00 H new ATOM 0 HB1 ALA A 830 -0.852 -1.962 -8.170 1.00 0.00 H new ATOM 0 HB2 ALA A 830 -2.078 -1.268 -7.082 1.00 0.00 H new ATOM 0 HB3 ALA A 830 -1.643 -0.423 -8.587 1.00 0.00 H new ATOM 1147 N GLN A 831 0.884 1.052 -8.741 1.00 0.00 N ATOM 1148 CA GLN A 831 1.940 1.458 -9.656 1.00 0.00 C ATOM 1149 C GLN A 831 3.178 1.917 -8.890 1.00 0.00 C ATOM 1150 O GLN A 831 4.288 1.438 -9.134 1.00 0.00 O ATOM 1151 CB GLN A 831 1.444 2.592 -10.555 1.00 0.00 C ATOM 1152 CG GLN A 831 1.489 2.268 -12.038 1.00 0.00 C ATOM 1153 CD GLN A 831 0.812 0.955 -12.376 1.00 0.00 C ATOM 1154 OE1 GLN A 831 1.427 0.062 -12.960 1.00 0.00 O ATOM 1155 NE2 GLN A 831 -0.458 0.828 -12.021 1.00 0.00 N ATOM 0 H GLN A 831 0.056 1.648 -8.767 1.00 0.00 H new ATOM 0 HA GLN A 831 2.209 0.598 -10.268 1.00 0.00 H new ATOM 0 HB2 GLN A 831 0.419 2.840 -10.278 1.00 0.00 H new ATOM 0 HB3 GLN A 831 2.048 3.480 -10.369 1.00 0.00 H new ATOM 0 HG2 GLN A 831 1.009 3.072 -12.595 1.00 0.00 H new ATOM 0 HG3 GLN A 831 2.528 2.230 -12.365 1.00 0.00 H new ATOM 0 HE21 GLN A 831 -0.931 1.592 -11.538 1.00 0.00 H new ATOM 0 HE22 GLN A 831 -0.962 -0.034 -12.230 1.00 0.00 H new ATOM 1164 N ALA A 832 2.971 2.833 -7.949 1.00 0.00 N ATOM 1165 CA ALA A 832 4.066 3.445 -7.209 1.00 0.00 C ATOM 1166 C ALA A 832 4.842 2.417 -6.392 1.00 0.00 C ATOM 1167 O ALA A 832 6.074 2.395 -6.423 1.00 0.00 O ATOM 1168 CB ALA A 832 3.538 4.552 -6.308 1.00 0.00 C ATOM 0 H ALA A 832 2.046 3.169 -7.680 1.00 0.00 H new ATOM 0 HA ALA A 832 4.757 3.874 -7.934 1.00 0.00 H new ATOM 0 HB1 ALA A 832 4.366 5.001 -5.760 1.00 0.00 H new ATOM 0 HB2 ALA A 832 3.049 5.313 -6.916 1.00 0.00 H new ATOM 0 HB3 ALA A 832 2.820 4.135 -5.602 1.00 0.00 H new ATOM 1174 N THR A 833 4.127 1.561 -5.671 1.00 0.00 N ATOM 1175 CA THR A 833 4.772 0.569 -4.824 1.00 0.00 C ATOM 1176 C THR A 833 5.516 -0.482 -5.646 1.00 0.00 C ATOM 1177 O THR A 833 6.586 -0.935 -5.248 1.00 0.00 O ATOM 1178 CB THR A 833 3.765 -0.130 -3.897 1.00 0.00 C ATOM 1179 OG1 THR A 833 2.881 0.834 -3.315 1.00 0.00 O ATOM 1180 CG2 THR A 833 4.488 -0.887 -2.795 1.00 0.00 C ATOM 0 H THR A 833 3.107 1.535 -5.657 1.00 0.00 H new ATOM 0 HA THR A 833 5.493 1.113 -4.214 1.00 0.00 H new ATOM 0 HB THR A 833 3.188 -0.838 -4.491 1.00 0.00 H new ATOM 0 HG1 THR A 833 2.217 1.112 -3.980 1.00 0.00 H new ATOM 0 HG21 THR A 833 3.758 -1.375 -2.149 1.00 0.00 H new ATOM 0 HG22 THR A 833 5.141 -1.639 -3.238 1.00 0.00 H new ATOM 0 HG23 THR A 833 5.085 -0.190 -2.206 1.00 0.00 H new ATOM 1188 N SER A 834 4.965 -0.857 -6.797 1.00 0.00 N ATOM 1189 CA SER A 834 5.611 -1.845 -7.649 1.00 0.00 C ATOM 1190 C SER A 834 6.957 -1.317 -8.141 1.00 0.00 C ATOM 1191 O SER A 834 7.921 -2.071 -8.290 1.00 0.00 O ATOM 1192 CB SER A 834 4.710 -2.203 -8.831 1.00 0.00 C ATOM 1193 OG SER A 834 4.704 -3.603 -9.068 1.00 0.00 O ATOM 0 H SER A 834 4.082 -0.495 -7.157 1.00 0.00 H new ATOM 0 HA SER A 834 5.785 -2.749 -7.065 1.00 0.00 H new ATOM 0 HB2 SER A 834 3.694 -1.861 -8.634 1.00 0.00 H new ATOM 0 HB3 SER A 834 5.054 -1.682 -9.724 1.00 0.00 H new ATOM 0 HG SER A 834 4.119 -3.804 -9.828 1.00 0.00 H new ATOM 1199 N ASP A 835 7.016 -0.013 -8.373 1.00 0.00 N ATOM 1200 CA ASP A 835 8.253 0.645 -8.776 1.00 0.00 C ATOM 1201 C ASP A 835 9.198 0.777 -7.580 1.00 0.00 C ATOM 1202 O ASP A 835 10.414 0.623 -7.710 1.00 0.00 O ATOM 1203 CB ASP A 835 7.938 2.023 -9.368 1.00 0.00 C ATOM 1204 CG ASP A 835 9.177 2.844 -9.668 1.00 0.00 C ATOM 1205 OD1 ASP A 835 10.025 2.389 -10.464 1.00 0.00 O ATOM 1206 OD2 ASP A 835 9.300 3.957 -9.119 1.00 0.00 O ATOM 0 H ASP A 835 6.216 0.614 -8.289 1.00 0.00 H new ATOM 0 HA ASP A 835 8.747 0.040 -9.537 1.00 0.00 H new ATOM 0 HB2 ASP A 835 7.365 1.894 -10.286 1.00 0.00 H new ATOM 0 HB3 ASP A 835 7.305 2.574 -8.672 1.00 0.00 H new ATOM 1211 N LEU A 836 8.621 1.046 -6.410 1.00 0.00 N ATOM 1212 CA LEU A 836 9.389 1.181 -5.174 1.00 0.00 C ATOM 1213 C LEU A 836 10.066 -0.137 -4.801 1.00 0.00 C ATOM 1214 O LEU A 836 11.276 -0.182 -4.585 1.00 0.00 O ATOM 1215 CB LEU A 836 8.468 1.646 -4.034 1.00 0.00 C ATOM 1216 CG LEU A 836 8.961 1.365 -2.607 1.00 0.00 C ATOM 1217 CD1 LEU A 836 10.106 2.297 -2.242 1.00 0.00 C ATOM 1218 CD2 LEU A 836 7.823 1.517 -1.613 1.00 0.00 C ATOM 0 H LEU A 836 7.616 1.176 -6.292 1.00 0.00 H new ATOM 0 HA LEU A 836 10.168 1.927 -5.334 1.00 0.00 H new ATOM 0 HB2 LEU A 836 8.311 2.720 -4.137 1.00 0.00 H new ATOM 0 HB3 LEU A 836 7.497 1.168 -4.161 1.00 0.00 H new ATOM 0 HG LEU A 836 9.325 0.338 -2.567 1.00 0.00 H new ATOM 0 HD11 LEU A 836 10.441 2.082 -1.227 1.00 0.00 H new ATOM 0 HD12 LEU A 836 10.933 2.147 -2.936 1.00 0.00 H new ATOM 0 HD13 LEU A 836 9.766 3.331 -2.300 1.00 0.00 H new ATOM 0 HD21 LEU A 836 8.189 1.314 -0.607 1.00 0.00 H new ATOM 0 HD22 LEU A 836 7.433 2.534 -1.659 1.00 0.00 H new ATOM 0 HD23 LEU A 836 7.029 0.812 -1.859 1.00 0.00 H new ATOM 1230 N VAL A 837 9.282 -1.209 -4.763 1.00 0.00 N ATOM 1231 CA VAL A 837 9.784 -2.516 -4.349 1.00 0.00 C ATOM 1232 C VAL A 837 10.882 -3.008 -5.288 1.00 0.00 C ATOM 1233 O VAL A 837 11.888 -3.557 -4.841 1.00 0.00 O ATOM 1234 CB VAL A 837 8.643 -3.558 -4.284 1.00 0.00 C ATOM 1235 CG1 VAL A 837 9.186 -4.949 -3.983 1.00 0.00 C ATOM 1236 CG2 VAL A 837 7.618 -3.152 -3.237 1.00 0.00 C ATOM 0 H VAL A 837 8.294 -1.199 -5.014 1.00 0.00 H new ATOM 0 HA VAL A 837 10.206 -2.398 -3.351 1.00 0.00 H new ATOM 0 HB VAL A 837 8.158 -3.590 -5.259 1.00 0.00 H new ATOM 0 HG11 VAL A 837 8.361 -5.661 -3.943 1.00 0.00 H new ATOM 0 HG12 VAL A 837 9.883 -5.245 -4.767 1.00 0.00 H new ATOM 0 HG13 VAL A 837 9.702 -4.938 -3.023 1.00 0.00 H new ATOM 0 HG21 VAL A 837 6.820 -3.894 -3.202 1.00 0.00 H new ATOM 0 HG22 VAL A 837 8.100 -3.090 -2.261 1.00 0.00 H new ATOM 0 HG23 VAL A 837 7.198 -2.180 -3.497 1.00 0.00 H new ATOM 1246 N ASN A 838 10.703 -2.781 -6.583 1.00 0.00 N ATOM 1247 CA ASN A 838 11.681 -3.224 -7.572 1.00 0.00 C ATOM 1248 C ASN A 838 13.009 -2.488 -7.401 1.00 0.00 C ATOM 1249 O ASN A 838 14.077 -3.050 -7.647 1.00 0.00 O ATOM 1250 CB ASN A 838 11.152 -3.019 -8.992 1.00 0.00 C ATOM 1251 CG ASN A 838 11.986 -3.750 -10.029 1.00 0.00 C ATOM 1252 OD1 ASN A 838 12.029 -4.982 -10.059 1.00 0.00 O ATOM 1253 ND2 ASN A 838 12.649 -3.000 -10.893 1.00 0.00 N ATOM 0 H ASN A 838 9.895 -2.296 -6.973 1.00 0.00 H new ATOM 0 HA ASN A 838 11.851 -4.289 -7.411 1.00 0.00 H new ATOM 0 HB2 ASN A 838 10.121 -3.368 -9.047 1.00 0.00 H new ATOM 0 HB3 ASN A 838 11.141 -1.954 -9.223 1.00 0.00 H new ATOM 0 HD21 ASN A 838 13.220 -3.438 -11.615 1.00 0.00 H new ATOM 0 HD22 ASN A 838 12.589 -1.983 -10.837 1.00 0.00 H new ATOM 1260 N ALA A 839 12.937 -1.231 -6.969 1.00 0.00 N ATOM 1261 CA ALA A 839 14.136 -0.440 -6.719 1.00 0.00 C ATOM 1262 C ALA A 839 14.936 -1.040 -5.567 1.00 0.00 C ATOM 1263 O ALA A 839 16.147 -1.233 -5.672 1.00 0.00 O ATOM 1264 CB ALA A 839 13.769 1.006 -6.417 1.00 0.00 C ATOM 0 H ALA A 839 12.062 -0.740 -6.786 1.00 0.00 H new ATOM 0 HA ALA A 839 14.754 -0.456 -7.616 1.00 0.00 H new ATOM 0 HB1 ALA A 839 14.677 1.581 -6.233 1.00 0.00 H new ATOM 0 HB2 ALA A 839 13.236 1.431 -7.267 1.00 0.00 H new ATOM 0 HB3 ALA A 839 13.131 1.043 -5.534 1.00 0.00 H new ATOM 1270 N ILE A 840 14.240 -1.350 -4.480 1.00 0.00 N ATOM 1271 CA ILE A 840 14.865 -1.971 -3.316 1.00 0.00 C ATOM 1272 C ILE A 840 15.358 -3.370 -3.660 1.00 0.00 C ATOM 1273 O ILE A 840 16.375 -3.831 -3.145 1.00 0.00 O ATOM 1274 CB ILE A 840 13.884 -2.058 -2.130 1.00 0.00 C ATOM 1275 CG1 ILE A 840 13.146 -0.733 -1.957 1.00 0.00 C ATOM 1276 CG2 ILE A 840 14.619 -2.430 -0.852 1.00 0.00 C ATOM 1277 CD1 ILE A 840 11.736 -0.893 -1.445 1.00 0.00 C ATOM 0 H ILE A 840 13.239 -1.181 -4.379 1.00 0.00 H new ATOM 0 HA ILE A 840 15.709 -1.345 -3.027 1.00 0.00 H new ATOM 0 HB ILE A 840 13.153 -2.839 -2.342 1.00 0.00 H new ATOM 0 HG12 ILE A 840 13.706 -0.102 -1.267 1.00 0.00 H new ATOM 0 HG13 ILE A 840 13.120 -0.213 -2.915 1.00 0.00 H new ATOM 0 HG21 ILE A 840 13.909 -2.486 -0.027 1.00 0.00 H new ATOM 0 HG22 ILE A 840 15.104 -3.398 -0.980 1.00 0.00 H new ATOM 0 HG23 ILE A 840 15.372 -1.673 -0.632 1.00 0.00 H new ATOM 0 HD11 ILE A 840 11.271 0.088 -1.346 1.00 0.00 H new ATOM 0 HD12 ILE A 840 11.161 -1.498 -2.146 1.00 0.00 H new ATOM 0 HD13 ILE A 840 11.756 -1.385 -0.473 1.00 0.00 H new ATOM 1289 N LYS A 841 14.625 -4.040 -4.540 1.00 0.00 N ATOM 1290 CA LYS A 841 14.999 -5.366 -5.008 1.00 0.00 C ATOM 1291 C LYS A 841 16.368 -5.333 -5.683 1.00 0.00 C ATOM 1292 O LYS A 841 17.223 -6.178 -5.417 1.00 0.00 O ATOM 1293 CB LYS A 841 13.946 -5.893 -5.983 1.00 0.00 C ATOM 1294 CG LYS A 841 13.892 -7.407 -6.068 1.00 0.00 C ATOM 1295 CD LYS A 841 13.806 -7.874 -7.510 1.00 0.00 C ATOM 1296 CE LYS A 841 14.851 -8.933 -7.815 1.00 0.00 C ATOM 1297 NZ LYS A 841 15.323 -8.860 -9.223 1.00 0.00 N ATOM 0 H LYS A 841 13.761 -3.682 -4.946 1.00 0.00 H new ATOM 0 HA LYS A 841 15.055 -6.033 -4.148 1.00 0.00 H new ATOM 0 HB2 LYS A 841 12.967 -5.520 -5.682 1.00 0.00 H new ATOM 0 HB3 LYS A 841 14.149 -5.490 -6.975 1.00 0.00 H new ATOM 0 HG2 LYS A 841 14.779 -7.832 -5.598 1.00 0.00 H new ATOM 0 HG3 LYS A 841 13.029 -7.774 -5.512 1.00 0.00 H new ATOM 0 HD2 LYS A 841 12.812 -8.276 -7.705 1.00 0.00 H new ATOM 0 HD3 LYS A 841 13.943 -7.023 -8.178 1.00 0.00 H new ATOM 0 HE2 LYS A 841 15.699 -8.810 -7.141 1.00 0.00 H new ATOM 0 HE3 LYS A 841 14.433 -9.921 -7.624 1.00 0.00 H new ATOM 0 HZ1 LYS A 841 16.035 -9.600 -9.389 1.00 0.00 H new ATOM 0 HZ2 LYS A 841 14.519 -9.003 -9.867 1.00 0.00 H new ATOM 0 HZ3 LYS A 841 15.746 -7.926 -9.399 1.00 0.00 H new ATOM 1508 N LEU A 856 15.670 -6.060 3.855 1.00 0.00 N ATOM 1509 CA LEU A 856 15.244 -5.095 2.859 1.00 0.00 C ATOM 1510 C LEU A 856 14.077 -5.618 2.040 1.00 0.00 C ATOM 1511 O LEU A 856 13.049 -4.954 1.893 1.00 0.00 O ATOM 1512 CB LEU A 856 16.426 -4.829 1.930 1.00 0.00 C ATOM 1513 CG LEU A 856 17.273 -3.607 2.296 1.00 0.00 C ATOM 1514 CD1 LEU A 856 18.396 -3.410 1.289 1.00 0.00 C ATOM 1515 CD2 LEU A 856 16.415 -2.352 2.392 1.00 0.00 C ATOM 0 HA LEU A 856 14.918 -4.185 3.362 1.00 0.00 H new ATOM 0 HB2 LEU A 856 17.069 -5.709 1.923 1.00 0.00 H new ATOM 0 HB3 LEU A 856 16.050 -4.701 0.915 1.00 0.00 H new ATOM 0 HG LEU A 856 17.715 -3.789 3.276 1.00 0.00 H new ATOM 0 HD11 LEU A 856 18.986 -2.537 1.568 1.00 0.00 H new ATOM 0 HD12 LEU A 856 19.036 -4.292 1.281 1.00 0.00 H new ATOM 0 HD13 LEU A 856 17.972 -3.260 0.296 1.00 0.00 H new ATOM 0 HD21 LEU A 856 17.044 -1.501 2.653 1.00 0.00 H new ATOM 0 HD22 LEU A 856 15.933 -2.166 1.432 1.00 0.00 H new ATOM 0 HD23 LEU A 856 15.653 -2.490 3.160 1.00 0.00 H new ATOM 1527 N LEU A 857 14.238 -6.825 1.544 1.00 0.00 N ATOM 1528 CA LEU A 857 13.243 -7.438 0.693 1.00 0.00 C ATOM 1529 C LEU A 857 12.044 -7.934 1.494 1.00 0.00 C ATOM 1530 O LEU A 857 10.941 -8.044 0.961 1.00 0.00 O ATOM 1531 CB LEU A 857 13.897 -8.554 -0.108 1.00 0.00 C ATOM 1532 CG LEU A 857 15.154 -8.106 -0.859 1.00 0.00 C ATOM 1533 CD1 LEU A 857 16.158 -9.248 -0.944 1.00 0.00 C ATOM 1534 CD2 LEU A 857 14.792 -7.613 -2.251 1.00 0.00 C ATOM 0 H LEU A 857 15.058 -7.406 1.718 1.00 0.00 H new ATOM 0 HA LEU A 857 12.853 -6.691 0.002 1.00 0.00 H new ATOM 0 HB2 LEU A 857 14.157 -9.371 0.565 1.00 0.00 H new ATOM 0 HB3 LEU A 857 13.176 -8.948 -0.824 1.00 0.00 H new ATOM 0 HG LEU A 857 15.612 -7.284 -0.309 1.00 0.00 H new ATOM 0 HD11 LEU A 857 17.046 -8.913 -1.481 1.00 0.00 H new ATOM 0 HD12 LEU A 857 16.439 -9.561 0.062 1.00 0.00 H new ATOM 0 HD13 LEU A 857 15.709 -10.088 -1.474 1.00 0.00 H new ATOM 0 HD21 LEU A 857 15.696 -7.298 -2.772 1.00 0.00 H new ATOM 0 HD22 LEU A 857 14.313 -8.418 -2.809 1.00 0.00 H new ATOM 0 HD23 LEU A 857 14.107 -6.769 -2.171 1.00 0.00 H new ATOM 1546 N SER A 858 12.257 -8.223 2.772 1.00 0.00 N ATOM 1547 CA SER A 858 11.167 -8.637 3.645 1.00 0.00 C ATOM 1548 C SER A 858 10.164 -7.498 3.805 1.00 0.00 C ATOM 1549 O SER A 858 8.954 -7.703 3.698 1.00 0.00 O ATOM 1550 CB SER A 858 11.705 -9.063 5.012 1.00 0.00 C ATOM 1551 OG SER A 858 12.449 -10.267 4.916 1.00 0.00 O ATOM 0 H SER A 858 13.170 -8.179 3.225 1.00 0.00 H new ATOM 0 HA SER A 858 10.664 -9.491 3.192 1.00 0.00 H new ATOM 0 HB2 SER A 858 12.336 -8.273 5.420 1.00 0.00 H new ATOM 0 HB3 SER A 858 10.876 -9.199 5.706 1.00 0.00 H new ATOM 0 HG SER A 858 12.783 -10.517 5.803 1.00 0.00 H new ATOM 1557 N ALA A 859 10.681 -6.295 4.038 1.00 0.00 N ATOM 1558 CA ALA A 859 9.840 -5.115 4.166 1.00 0.00 C ATOM 1559 C ALA A 859 9.216 -4.760 2.822 1.00 0.00 C ATOM 1560 O ALA A 859 8.049 -4.374 2.750 1.00 0.00 O ATOM 1561 CB ALA A 859 10.645 -3.944 4.710 1.00 0.00 C ATOM 0 H ALA A 859 11.680 -6.114 4.142 1.00 0.00 H new ATOM 0 HA ALA A 859 9.038 -5.335 4.870 1.00 0.00 H new ATOM 0 HB1 ALA A 859 10.000 -3.070 4.799 1.00 0.00 H new ATOM 0 HB2 ALA A 859 11.045 -4.202 5.691 1.00 0.00 H new ATOM 0 HB3 ALA A 859 11.467 -3.721 4.030 1.00 0.00 H new ATOM 1567 N ALA A 860 9.999 -4.913 1.759 1.00 0.00 N ATOM 1568 CA ALA A 860 9.528 -4.647 0.405 1.00 0.00 C ATOM 1569 C ALA A 860 8.380 -5.581 0.029 1.00 0.00 C ATOM 1570 O ALA A 860 7.449 -5.187 -0.673 1.00 0.00 O ATOM 1571 CB ALA A 860 10.675 -4.786 -0.586 1.00 0.00 C ATOM 0 H ALA A 860 10.970 -5.222 1.811 1.00 0.00 H new ATOM 0 HA ALA A 860 9.153 -3.624 0.369 1.00 0.00 H new ATOM 0 HB1 ALA A 860 10.311 -4.585 -1.594 1.00 0.00 H new ATOM 0 HB2 ALA A 860 11.461 -4.074 -0.335 1.00 0.00 H new ATOM 0 HB3 ALA A 860 11.075 -5.799 -0.540 1.00 0.00 H new ATOM 1577 N LYS A 861 8.449 -6.819 0.506 1.00 0.00 N ATOM 1578 CA LYS A 861 7.392 -7.792 0.266 1.00 0.00 C ATOM 1579 C LYS A 861 6.082 -7.322 0.887 1.00 0.00 C ATOM 1580 O LYS A 861 5.026 -7.396 0.260 1.00 0.00 O ATOM 1581 CB LYS A 861 7.781 -9.160 0.831 1.00 0.00 C ATOM 1582 CG LYS A 861 7.903 -10.242 -0.228 1.00 0.00 C ATOM 1583 CD LYS A 861 9.314 -10.807 -0.286 1.00 0.00 C ATOM 1584 CE LYS A 861 9.452 -12.052 0.575 1.00 0.00 C ATOM 1585 NZ LYS A 861 9.360 -13.296 -0.233 1.00 0.00 N ATOM 0 H LYS A 861 9.228 -7.172 1.062 1.00 0.00 H new ATOM 0 HA LYS A 861 7.254 -7.886 -0.811 1.00 0.00 H new ATOM 0 HB2 LYS A 861 8.731 -9.070 1.358 1.00 0.00 H new ATOM 0 HB3 LYS A 861 7.037 -9.465 1.567 1.00 0.00 H new ATOM 0 HG2 LYS A 861 7.197 -11.044 -0.013 1.00 0.00 H new ATOM 0 HG3 LYS A 861 7.633 -9.832 -1.201 1.00 0.00 H new ATOM 0 HD2 LYS A 861 9.569 -11.047 -1.318 1.00 0.00 H new ATOM 0 HD3 LYS A 861 10.024 -10.051 0.050 1.00 0.00 H new ATOM 0 HE2 LYS A 861 10.408 -12.028 1.098 1.00 0.00 H new ATOM 0 HE3 LYS A 861 8.672 -12.055 1.337 1.00 0.00 H new ATOM 0 HZ1 LYS A 861 9.459 -14.123 0.390 1.00 0.00 H new ATOM 0 HZ2 LYS A 861 8.437 -13.332 -0.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 861 10.119 -13.305 -0.944 1.00 0.00 H new ATOM 1599 N ILE A 862 6.164 -6.818 2.116 1.00 0.00 N ATOM 1600 CA ILE A 862 4.989 -6.295 2.805 1.00 0.00 C ATOM 1601 C ILE A 862 4.451 -5.076 2.066 1.00 0.00 C ATOM 1602 O ILE A 862 3.241 -4.887 1.959 1.00 0.00 O ATOM 1603 CB ILE A 862 5.299 -5.908 4.270 1.00 0.00 C ATOM 1604 CG1 ILE A 862 6.110 -7.007 4.958 1.00 0.00 C ATOM 1605 CG2 ILE A 862 4.007 -5.647 5.034 1.00 0.00 C ATOM 1606 CD1 ILE A 862 6.885 -6.521 6.164 1.00 0.00 C ATOM 0 H ILE A 862 7.029 -6.761 2.653 1.00 0.00 H new ATOM 0 HA ILE A 862 4.241 -7.088 2.816 1.00 0.00 H new ATOM 0 HB ILE A 862 5.893 -4.994 4.265 1.00 0.00 H new ATOM 0 HG12 ILE A 862 5.436 -7.806 5.267 1.00 0.00 H new ATOM 0 HG13 ILE A 862 6.806 -7.438 4.239 1.00 0.00 H new ATOM 0 HG21 ILE A 862 4.241 -5.376 6.063 1.00 0.00 H new ATOM 0 HG22 ILE A 862 3.462 -4.831 4.559 1.00 0.00 H new ATOM 0 HG23 ILE A 862 3.392 -6.547 5.027 1.00 0.00 H new ATOM 0 HD11 ILE A 862 7.436 -7.353 6.602 1.00 0.00 H new ATOM 0 HD12 ILE A 862 7.584 -5.743 5.858 1.00 0.00 H new ATOM 0 HD13 ILE A 862 6.193 -6.116 6.902 1.00 0.00 H new ATOM 1618 N LEU A 863 5.368 -4.262 1.548 1.00 0.00 N ATOM 1619 CA LEU A 863 5.011 -3.089 0.755 1.00 0.00 C ATOM 1620 C LEU A 863 4.098 -3.485 -0.402 1.00 0.00 C ATOM 1621 O LEU A 863 2.991 -2.962 -0.542 1.00 0.00 O ATOM 1622 CB LEU A 863 6.276 -2.420 0.199 1.00 0.00 C ATOM 1623 CG LEU A 863 6.602 -1.029 0.753 1.00 0.00 C ATOM 1624 CD1 LEU A 863 5.335 -0.205 0.938 1.00 0.00 C ATOM 1625 CD2 LEU A 863 7.355 -1.149 2.069 1.00 0.00 C ATOM 0 H LEU A 863 6.372 -4.396 1.665 1.00 0.00 H new ATOM 0 HA LEU A 863 4.484 -2.387 1.401 1.00 0.00 H new ATOM 0 HB2 LEU A 863 7.125 -3.075 0.395 1.00 0.00 H new ATOM 0 HB3 LEU A 863 6.176 -2.343 -0.884 1.00 0.00 H new ATOM 0 HG LEU A 863 7.237 -0.515 0.031 1.00 0.00 H new ATOM 0 HD11 LEU A 863 5.594 0.778 1.332 1.00 0.00 H new ATOM 0 HD12 LEU A 863 4.833 -0.090 -0.022 1.00 0.00 H new ATOM 0 HD13 LEU A 863 4.670 -0.712 1.637 1.00 0.00 H new ATOM 0 HD21 LEU A 863 7.580 -0.153 2.451 1.00 0.00 H new ATOM 0 HD22 LEU A 863 6.740 -1.685 2.792 1.00 0.00 H new ATOM 0 HD23 LEU A 863 8.285 -1.695 1.908 1.00 0.00 H new ATOM 1637 N ALA A 864 4.566 -4.426 -1.213 1.00 0.00 N ATOM 1638 CA ALA A 864 3.829 -4.864 -2.391 1.00 0.00 C ATOM 1639 C ALA A 864 2.537 -5.582 -2.011 1.00 0.00 C ATOM 1640 O ALA A 864 1.491 -5.369 -2.631 1.00 0.00 O ATOM 1641 CB ALA A 864 4.702 -5.768 -3.246 1.00 0.00 C ATOM 0 H ALA A 864 5.457 -4.902 -1.075 1.00 0.00 H new ATOM 0 HA ALA A 864 3.558 -3.978 -2.965 1.00 0.00 H new ATOM 0 HB1 ALA A 864 4.142 -6.090 -4.124 1.00 0.00 H new ATOM 0 HB2 ALA A 864 5.591 -5.222 -3.563 1.00 0.00 H new ATOM 0 HB3 ALA A 864 5.000 -6.641 -2.665 1.00 0.00 H new ATOM 1647 N ASP A 865 2.617 -6.425 -0.987 1.00 0.00 N ATOM 1648 CA ASP A 865 1.469 -7.209 -0.541 1.00 0.00 C ATOM 1649 C ASP A 865 0.358 -6.310 -0.009 1.00 0.00 C ATOM 1650 O ASP A 865 -0.798 -6.424 -0.425 1.00 0.00 O ATOM 1651 CB ASP A 865 1.885 -8.205 0.541 1.00 0.00 C ATOM 1652 CG ASP A 865 0.725 -9.049 1.025 1.00 0.00 C ATOM 1653 OD1 ASP A 865 0.116 -9.762 0.199 1.00 0.00 O ATOM 1654 OD2 ASP A 865 0.420 -9.014 2.231 1.00 0.00 O ATOM 0 H ASP A 865 3.468 -6.584 -0.448 1.00 0.00 H new ATOM 0 HA ASP A 865 1.090 -7.755 -1.405 1.00 0.00 H new ATOM 0 HB2 ASP A 865 2.667 -8.856 0.150 1.00 0.00 H new ATOM 0 HB3 ASP A 865 2.314 -7.663 1.384 1.00 0.00 H new ATOM 1659 N ALA A 866 0.713 -5.406 0.897 1.00 0.00 N ATOM 1660 CA ALA A 866 -0.259 -4.500 1.495 1.00 0.00 C ATOM 1661 C ALA A 866 -0.874 -3.594 0.438 1.00 0.00 C ATOM 1662 O ALA A 866 -2.047 -3.234 0.520 1.00 0.00 O ATOM 1663 CB ALA A 866 0.391 -3.675 2.596 1.00 0.00 C ATOM 0 H ALA A 866 1.668 -5.281 1.233 1.00 0.00 H new ATOM 0 HA ALA A 866 -1.057 -5.097 1.936 1.00 0.00 H new ATOM 0 HB1 ALA A 866 -0.349 -3.004 3.032 1.00 0.00 H new ATOM 0 HB2 ALA A 866 0.778 -4.340 3.368 1.00 0.00 H new ATOM 0 HB3 ALA A 866 1.210 -3.090 2.177 1.00 0.00 H new ATOM 1669 N THR A 867 -0.081 -3.241 -0.564 1.00 0.00 N ATOM 1670 CA THR A 867 -0.561 -2.418 -1.663 1.00 0.00 C ATOM 1671 C THR A 867 -1.624 -3.159 -2.475 1.00 0.00 C ATOM 1672 O THR A 867 -2.641 -2.577 -2.860 1.00 0.00 O ATOM 1673 CB THR A 867 0.600 -1.990 -2.579 1.00 0.00 C ATOM 1674 OG1 THR A 867 1.507 -1.156 -1.847 1.00 0.00 O ATOM 1675 CG2 THR A 867 0.092 -1.238 -3.799 1.00 0.00 C ATOM 0 H THR A 867 0.899 -3.513 -0.638 1.00 0.00 H new ATOM 0 HA THR A 867 -1.012 -1.523 -1.234 1.00 0.00 H new ATOM 0 HB THR A 867 1.113 -2.889 -2.921 1.00 0.00 H new ATOM 0 HG1 THR A 867 1.898 -1.667 -1.108 1.00 0.00 H new ATOM 0 HG21 THR A 867 0.936 -0.949 -4.426 1.00 0.00 H new ATOM 0 HG22 THR A 867 -0.580 -1.880 -4.368 1.00 0.00 H new ATOM 0 HG23 THR A 867 -0.444 -0.345 -3.479 1.00 0.00 H new ATOM 1683 N ALA A 868 -1.402 -4.446 -2.718 1.00 0.00 N ATOM 1684 CA ALA A 868 -2.382 -5.257 -3.425 1.00 0.00 C ATOM 1685 C ALA A 868 -3.640 -5.406 -2.586 1.00 0.00 C ATOM 1686 O ALA A 868 -4.750 -5.447 -3.114 1.00 0.00 O ATOM 1687 CB ALA A 868 -1.822 -6.625 -3.765 1.00 0.00 C ATOM 0 H ALA A 868 -0.558 -4.946 -2.438 1.00 0.00 H new ATOM 0 HA ALA A 868 -2.628 -4.750 -4.358 1.00 0.00 H new ATOM 0 HB1 ALA A 868 -2.578 -7.207 -4.293 1.00 0.00 H new ATOM 0 HB2 ALA A 868 -0.943 -6.511 -4.400 1.00 0.00 H new ATOM 0 HB3 ALA A 868 -1.542 -7.142 -2.847 1.00 0.00 H new ATOM 1693 N LYS A 869 -3.454 -5.490 -1.274 1.00 0.00 N ATOM 1694 CA LYS A 869 -4.574 -5.543 -0.347 1.00 0.00 C ATOM 1695 C LYS A 869 -5.356 -4.240 -0.404 1.00 0.00 C ATOM 1696 O LYS A 869 -6.582 -4.242 -0.361 1.00 0.00 O ATOM 1697 CB LYS A 869 -4.079 -5.801 1.075 1.00 0.00 C ATOM 1698 CG LYS A 869 -4.308 -7.226 1.546 1.00 0.00 C ATOM 1699 CD LYS A 869 -3.063 -8.077 1.361 1.00 0.00 C ATOM 1700 CE LYS A 869 -3.320 -9.250 0.429 1.00 0.00 C ATOM 1701 NZ LYS A 869 -2.433 -10.400 0.738 1.00 0.00 N ATOM 0 H LYS A 869 -2.537 -5.523 -0.829 1.00 0.00 H new ATOM 0 HA LYS A 869 -5.230 -6.363 -0.637 1.00 0.00 H new ATOM 0 HB2 LYS A 869 -3.014 -5.576 1.127 1.00 0.00 H new ATOM 0 HB3 LYS A 869 -4.583 -5.116 1.757 1.00 0.00 H new ATOM 0 HG2 LYS A 869 -4.595 -7.222 2.598 1.00 0.00 H new ATOM 0 HG3 LYS A 869 -5.137 -7.666 0.991 1.00 0.00 H new ATOM 0 HD2 LYS A 869 -2.258 -7.462 0.959 1.00 0.00 H new ATOM 0 HD3 LYS A 869 -2.728 -8.448 2.330 1.00 0.00 H new ATOM 0 HE2 LYS A 869 -4.361 -9.561 0.513 1.00 0.00 H new ATOM 0 HE3 LYS A 869 -3.163 -8.936 -0.603 1.00 0.00 H new ATOM 0 HZ1 LYS A 869 -2.874 -11.279 0.399 1.00 0.00 H new ATOM 0 HZ2 LYS A 869 -1.516 -10.268 0.265 1.00 0.00 H new ATOM 0 HZ3 LYS A 869 -2.287 -10.460 1.766 1.00 0.00 H new ATOM 1715 N MET A 870 -4.633 -3.130 -0.513 1.00 0.00 N ATOM 1716 CA MET A 870 -5.254 -1.819 -0.651 1.00 0.00 C ATOM 1717 C MET A 870 -6.141 -1.778 -1.887 1.00 0.00 C ATOM 1718 O MET A 870 -7.312 -1.409 -1.810 1.00 0.00 O ATOM 1719 CB MET A 870 -4.194 -0.720 -0.747 1.00 0.00 C ATOM 1720 CG MET A 870 -3.935 -0.016 0.572 1.00 0.00 C ATOM 1721 SD MET A 870 -4.366 1.734 0.529 1.00 0.00 S ATOM 1722 CE MET A 870 -6.067 1.657 -0.015 1.00 0.00 C ATOM 0 H MET A 870 -3.613 -3.113 -0.508 1.00 0.00 H new ATOM 0 HA MET A 870 -5.863 -1.644 0.236 1.00 0.00 H new ATOM 0 HB2 MET A 870 -3.262 -1.155 -1.107 1.00 0.00 H new ATOM 0 HB3 MET A 870 -4.510 0.015 -1.487 1.00 0.00 H new ATOM 0 HG2 MET A 870 -4.508 -0.507 1.359 1.00 0.00 H new ATOM 0 HG3 MET A 870 -2.882 -0.119 0.833 1.00 0.00 H new ATOM 0 HE1 MET A 870 -6.185 2.244 -0.926 1.00 0.00 H new ATOM 0 HE2 MET A 870 -6.339 0.620 -0.213 1.00 0.00 H new ATOM 0 HE3 MET A 870 -6.716 2.060 0.762 1.00 0.00 H new ATOM 1732 N VAL A 871 -5.575 -2.177 -3.020 1.00 0.00 N ATOM 1733 CA VAL A 871 -6.304 -2.196 -4.281 1.00 0.00 C ATOM 1734 C VAL A 871 -7.494 -3.156 -4.210 1.00 0.00 C ATOM 1735 O VAL A 871 -8.581 -2.852 -4.702 1.00 0.00 O ATOM 1736 CB VAL A 871 -5.358 -2.559 -5.462 1.00 0.00 C ATOM 1737 CG1 VAL A 871 -5.758 -3.850 -6.168 1.00 0.00 C ATOM 1738 CG2 VAL A 871 -5.298 -1.413 -6.456 1.00 0.00 C ATOM 0 H VAL A 871 -4.608 -2.493 -3.090 1.00 0.00 H new ATOM 0 HA VAL A 871 -6.695 -1.195 -4.462 1.00 0.00 H new ATOM 0 HB VAL A 871 -4.369 -2.727 -5.035 1.00 0.00 H new ATOM 0 HG11 VAL A 871 -5.061 -4.050 -6.982 1.00 0.00 H new ATOM 0 HG12 VAL A 871 -5.733 -4.676 -5.457 1.00 0.00 H new ATOM 0 HG13 VAL A 871 -6.766 -3.748 -6.570 1.00 0.00 H new ATOM 0 HG21 VAL A 871 -4.633 -1.679 -7.278 1.00 0.00 H new ATOM 0 HG22 VAL A 871 -6.297 -1.217 -6.846 1.00 0.00 H new ATOM 0 HG23 VAL A 871 -4.921 -0.519 -5.959 1.00 0.00 H new ATOM 1748 N GLU A 872 -7.290 -4.297 -3.564 1.00 0.00 N ATOM 1749 CA GLU A 872 -8.321 -5.318 -3.469 1.00 0.00 C ATOM 1750 C GLU A 872 -9.460 -4.868 -2.552 1.00 0.00 C ATOM 1751 O GLU A 872 -10.633 -4.965 -2.915 1.00 0.00 O ATOM 1752 CB GLU A 872 -7.709 -6.628 -2.965 1.00 0.00 C ATOM 1753 CG GLU A 872 -8.164 -7.851 -3.744 1.00 0.00 C ATOM 1754 CD GLU A 872 -7.723 -9.145 -3.097 1.00 0.00 C ATOM 1755 OE1 GLU A 872 -8.324 -9.539 -2.075 1.00 0.00 O ATOM 1756 OE2 GLU A 872 -6.770 -9.778 -3.606 1.00 0.00 O ATOM 0 H GLU A 872 -6.416 -4.538 -3.097 1.00 0.00 H new ATOM 0 HA GLU A 872 -8.740 -5.480 -4.462 1.00 0.00 H new ATOM 0 HB2 GLU A 872 -6.623 -6.556 -3.019 1.00 0.00 H new ATOM 0 HB3 GLU A 872 -7.968 -6.760 -1.914 1.00 0.00 H new ATOM 0 HG2 GLU A 872 -9.251 -7.842 -3.827 1.00 0.00 H new ATOM 0 HG3 GLU A 872 -7.766 -7.801 -4.758 1.00 0.00 H new ATOM 1763 N ALA A 873 -9.103 -4.353 -1.380 1.00 0.00 N ATOM 1764 CA ALA A 873 -10.087 -3.933 -0.387 1.00 0.00 C ATOM 1765 C ALA A 873 -10.861 -2.703 -0.849 1.00 0.00 C ATOM 1766 O ALA A 873 -12.067 -2.596 -0.610 1.00 0.00 O ATOM 1767 CB ALA A 873 -9.409 -3.653 0.946 1.00 0.00 C ATOM 0 H ALA A 873 -8.134 -4.216 -1.093 1.00 0.00 H new ATOM 0 HA ALA A 873 -10.798 -4.750 -0.263 1.00 0.00 H new ATOM 0 HB1 ALA A 873 -10.156 -3.341 1.676 1.00 0.00 H new ATOM 0 HB2 ALA A 873 -8.913 -4.557 1.299 1.00 0.00 H new ATOM 0 HB3 ALA A 873 -8.672 -2.860 0.820 1.00 0.00 H new ATOM 1773 N ALA A 874 -10.168 -1.773 -1.504 1.00 0.00 N ATOM 1774 CA ALA A 874 -10.802 -0.555 -2.000 1.00 0.00 C ATOM 1775 C ALA A 874 -11.840 -0.880 -3.065 1.00 0.00 C ATOM 1776 O ALA A 874 -12.909 -0.272 -3.114 1.00 0.00 O ATOM 1777 CB ALA A 874 -9.760 0.406 -2.554 1.00 0.00 C ATOM 0 H ALA A 874 -9.170 -1.840 -1.703 1.00 0.00 H new ATOM 0 HA ALA A 874 -11.307 -0.074 -1.163 1.00 0.00 H new ATOM 0 HB1 ALA A 874 -10.253 1.307 -2.918 1.00 0.00 H new ATOM 0 HB2 ALA A 874 -9.055 0.672 -1.766 1.00 0.00 H new ATOM 0 HB3 ALA A 874 -9.224 -0.071 -3.375 1.00 0.00 H new ATOM 1783 N LYS A 875 -11.519 -1.851 -3.911 1.00 0.00 N ATOM 1784 CA LYS A 875 -12.430 -2.276 -4.963 1.00 0.00 C ATOM 1785 C LYS A 875 -13.558 -3.123 -4.383 1.00 0.00 C ATOM 1786 O LYS A 875 -14.660 -3.167 -4.929 1.00 0.00 O ATOM 1787 CB LYS A 875 -11.679 -3.070 -6.031 1.00 0.00 C ATOM 1788 CG LYS A 875 -10.788 -2.215 -6.914 1.00 0.00 C ATOM 1789 CD LYS A 875 -9.888 -3.070 -7.790 1.00 0.00 C ATOM 1790 CE LYS A 875 -9.625 -2.407 -9.131 1.00 0.00 C ATOM 1791 NZ LYS A 875 -10.621 -2.810 -10.158 1.00 0.00 N ATOM 0 H LYS A 875 -10.634 -2.358 -3.888 1.00 0.00 H new ATOM 0 HA LYS A 875 -12.860 -1.386 -5.423 1.00 0.00 H new ATOM 0 HB2 LYS A 875 -11.070 -3.831 -5.544 1.00 0.00 H new ATOM 0 HB3 LYS A 875 -12.402 -3.593 -6.657 1.00 0.00 H new ATOM 0 HG2 LYS A 875 -11.405 -1.573 -7.542 1.00 0.00 H new ATOM 0 HG3 LYS A 875 -10.177 -1.561 -6.292 1.00 0.00 H new ATOM 0 HD2 LYS A 875 -8.942 -3.247 -7.278 1.00 0.00 H new ATOM 0 HD3 LYS A 875 -10.351 -4.044 -7.949 1.00 0.00 H new ATOM 0 HE2 LYS A 875 -9.647 -1.324 -9.010 1.00 0.00 H new ATOM 0 HE3 LYS A 875 -8.624 -2.669 -9.475 1.00 0.00 H new ATOM 0 HZ1 LYS A 875 -10.404 -2.335 -11.057 1.00 0.00 H new ATOM 0 HZ2 LYS A 875 -10.583 -3.840 -10.293 1.00 0.00 H new ATOM 0 HZ3 LYS A 875 -11.574 -2.537 -9.843 1.00 0.00 H new ATOM 1805 N GLY A 876 -13.268 -3.800 -3.278 1.00 0.00 N ATOM 1806 CA GLY A 876 -14.274 -4.600 -2.610 1.00 0.00 C ATOM 1807 C GLY A 876 -15.341 -3.742 -1.962 1.00 0.00 C ATOM 1808 O GLY A 876 -16.527 -4.060 -2.020 1.00 0.00 O ATOM 0 H GLY A 876 -12.350 -3.808 -2.832 1.00 0.00 H new ATOM 0 HA2 GLY A 876 -14.738 -5.274 -3.330 1.00 0.00 H new ATOM 0 HA3 GLY A 876 -13.798 -5.222 -1.852 1.00 0.00 H new