USER MOD reduce.3.24.130724 H: found=0, std=0, add=582, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 585 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 833 THR OG1 : rot 80:sc= 0.781 USER MOD Set 1.2: A 867 THR OG1 : rot 63:sc= 0.689 USER MOD Set 2.1: A 811 ASN : amide:sc= 0.852 K(o=2.9,f=-0.88!) USER MOD Set 2.2: A 825 GLN : amide:sc= 2.05 K(o=2.9,f=-3.7) USER MOD Single : A 772 THR OG1 : rot 90:sc= 1.27 USER MOD Single : A 775 THR OG1 : rot 73:sc= 0.99 USER MOD Single : A 776 GLN : amide:sc= -0.743 K(o=-0.74,f=-1.7!) USER MOD Single : A 779 ASN : amide:sc= -0.135 K(o=-0.14,f=-0.71) USER MOD Single : A 802 THR OG1 : rot -140:sc= 0 USER MOD Single : A 804 THR OG1 : rot 180:sc= 0 USER MOD Single : A 807 THR OG1 : rot 97:sc= 1.25 USER MOD Single : A 809 THR OG1 : rot 79:sc= 1.16 USER MOD Single : A 814 SER OG : rot 180:sc= 0.0771 USER MOD Single : A 815 SER OG : rot 83:sc= 1.24 USER MOD Single : A 816 MET CE :methyl 171:sc= -0.646 (180deg=-0.97) USER MOD Single : A 822 MET CE :methyl 162:sc= -0.276 (180deg=-0.82) USER MOD Single : A 831 GLN : amide:sc= 0 X(o=0,f=-0.045) USER MOD Single : A 834 SER OG : rot 95:sc= 1.28 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+ -168:sc= 1.36 (180deg=1.1) USER MOD Single : A 870 MET CE :methyl 144:sc= -3.3! (180deg=-4.7!) USER MOD Single : A 875 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 220 N GLY A 766 -11.830 -3.488 5.559 1.00 0.00 N ATOM 221 CA GLY A 766 -10.874 -3.844 4.536 1.00 0.00 C ATOM 222 C GLY A 766 -9.941 -2.702 4.199 1.00 0.00 C ATOM 223 O GLY A 766 -8.744 -2.771 4.482 1.00 0.00 O ATOM 0 HA2 GLY A 766 -10.289 -4.701 4.871 1.00 0.00 H new ATOM 0 HA3 GLY A 766 -11.406 -4.153 3.636 1.00 0.00 H new ATOM 227 N VAL A 767 -10.492 -1.641 3.618 1.00 0.00 N ATOM 228 CA VAL A 767 -9.690 -0.515 3.143 1.00 0.00 C ATOM 229 C VAL A 767 -8.935 0.154 4.281 1.00 0.00 C ATOM 230 O VAL A 767 -7.728 0.351 4.195 1.00 0.00 O ATOM 231 CB VAL A 767 -10.547 0.549 2.431 1.00 0.00 C ATOM 232 CG1 VAL A 767 -9.691 1.390 1.498 1.00 0.00 C ATOM 233 CG2 VAL A 767 -11.692 -0.097 1.673 1.00 0.00 C ATOM 0 H VAL A 767 -11.495 -1.536 3.464 1.00 0.00 H new ATOM 0 HA VAL A 767 -8.980 -0.935 2.430 1.00 0.00 H new ATOM 0 HB VAL A 767 -10.972 1.205 3.190 1.00 0.00 H new ATOM 0 HG11 VAL A 767 -10.315 2.135 1.005 1.00 0.00 H new ATOM 0 HG12 VAL A 767 -8.912 1.891 2.072 1.00 0.00 H new ATOM 0 HG13 VAL A 767 -9.232 0.747 0.747 1.00 0.00 H new ATOM 0 HG21 VAL A 767 -12.282 0.675 1.179 1.00 0.00 H new ATOM 0 HG22 VAL A 767 -11.293 -0.783 0.926 1.00 0.00 H new ATOM 0 HG23 VAL A 767 -12.325 -0.648 2.369 1.00 0.00 H new ATOM 243 N GLY A 768 -9.654 0.499 5.343 1.00 0.00 N ATOM 244 CA GLY A 768 -9.037 1.164 6.479 1.00 0.00 C ATOM 245 C GLY A 768 -7.842 0.406 7.024 1.00 0.00 C ATOM 246 O GLY A 768 -6.764 0.977 7.203 1.00 0.00 O ATOM 0 H GLY A 768 -10.655 0.330 5.439 1.00 0.00 H new ATOM 0 HA2 GLY A 768 -8.723 2.164 6.182 1.00 0.00 H new ATOM 0 HA3 GLY A 768 -9.777 1.284 7.270 1.00 0.00 H new ATOM 250 N ALA A 769 -8.025 -0.884 7.261 1.00 0.00 N ATOM 251 CA ALA A 769 -6.966 -1.720 7.809 1.00 0.00 C ATOM 252 C ALA A 769 -5.814 -1.882 6.819 1.00 0.00 C ATOM 253 O ALA A 769 -4.645 -1.787 7.195 1.00 0.00 O ATOM 254 CB ALA A 769 -7.521 -3.077 8.206 1.00 0.00 C ATOM 0 H ALA A 769 -8.900 -1.377 7.082 1.00 0.00 H new ATOM 0 HA ALA A 769 -6.572 -1.225 8.697 1.00 0.00 H new ATOM 0 HB1 ALA A 769 -6.719 -3.693 8.614 1.00 0.00 H new ATOM 0 HB2 ALA A 769 -8.298 -2.946 8.959 1.00 0.00 H new ATOM 0 HB3 ALA A 769 -7.945 -3.567 7.330 1.00 0.00 H new ATOM 260 N ALA A 770 -6.149 -2.112 5.552 1.00 0.00 N ATOM 261 CA ALA A 770 -5.139 -2.316 4.518 1.00 0.00 C ATOM 262 C ALA A 770 -4.339 -1.043 4.273 1.00 0.00 C ATOM 263 O ALA A 770 -3.116 -1.085 4.136 1.00 0.00 O ATOM 264 CB ALA A 770 -5.788 -2.790 3.226 1.00 0.00 C ATOM 0 H ALA A 770 -7.111 -2.162 5.217 1.00 0.00 H new ATOM 0 HA ALA A 770 -4.451 -3.086 4.868 1.00 0.00 H new ATOM 0 HB1 ALA A 770 -5.021 -2.937 2.466 1.00 0.00 H new ATOM 0 HB2 ALA A 770 -6.308 -3.731 3.404 1.00 0.00 H new ATOM 0 HB3 ALA A 770 -6.501 -2.041 2.881 1.00 0.00 H new ATOM 270 N ALA A 771 -5.032 0.087 4.231 1.00 0.00 N ATOM 271 CA ALA A 771 -4.387 1.376 4.023 1.00 0.00 C ATOM 272 C ALA A 771 -3.409 1.677 5.154 1.00 0.00 C ATOM 273 O ALA A 771 -2.289 2.137 4.920 1.00 0.00 O ATOM 274 CB ALA A 771 -5.430 2.477 3.908 1.00 0.00 C ATOM 0 H ALA A 771 -6.045 0.137 4.339 1.00 0.00 H new ATOM 0 HA ALA A 771 -3.825 1.334 3.090 1.00 0.00 H new ATOM 0 HB1 ALA A 771 -4.933 3.434 3.753 1.00 0.00 H new ATOM 0 HB2 ALA A 771 -6.088 2.269 3.064 1.00 0.00 H new ATOM 0 HB3 ALA A 771 -6.018 2.518 4.825 1.00 0.00 H new ATOM 280 N THR A 772 -3.831 1.402 6.382 1.00 0.00 N ATOM 281 CA THR A 772 -2.970 1.584 7.541 1.00 0.00 C ATOM 282 C THR A 772 -1.761 0.650 7.461 1.00 0.00 C ATOM 283 O THR A 772 -0.645 1.031 7.819 1.00 0.00 O ATOM 284 CB THR A 772 -3.741 1.331 8.853 1.00 0.00 C ATOM 285 OG1 THR A 772 -4.982 2.054 8.834 1.00 0.00 O ATOM 286 CG2 THR A 772 -2.922 1.761 10.060 1.00 0.00 C ATOM 0 H THR A 772 -4.764 1.052 6.600 1.00 0.00 H new ATOM 0 HA THR A 772 -2.624 2.618 7.539 1.00 0.00 H new ATOM 0 HB THR A 772 -3.937 0.262 8.932 1.00 0.00 H new ATOM 0 HG1 THR A 772 -5.683 1.490 8.445 1.00 0.00 H new ATOM 0 HG21 THR A 772 -3.490 1.571 10.971 1.00 0.00 H new ATOM 0 HG22 THR A 772 -1.991 1.195 10.088 1.00 0.00 H new ATOM 0 HG23 THR A 772 -2.698 2.825 9.987 1.00 0.00 H new ATOM 294 N ALA A 773 -1.987 -0.562 6.963 1.00 0.00 N ATOM 295 CA ALA A 773 -0.915 -1.534 6.792 1.00 0.00 C ATOM 296 C ALA A 773 0.135 -1.021 5.810 1.00 0.00 C ATOM 297 O ALA A 773 1.332 -1.146 6.056 1.00 0.00 O ATOM 298 CB ALA A 773 -1.476 -2.869 6.324 1.00 0.00 C ATOM 0 H ALA A 773 -2.906 -0.894 6.670 1.00 0.00 H new ATOM 0 HA ALA A 773 -0.432 -1.680 7.758 1.00 0.00 H new ATOM 0 HB1 ALA A 773 -0.662 -3.583 6.201 1.00 0.00 H new ATOM 0 HB2 ALA A 773 -2.181 -3.247 7.064 1.00 0.00 H new ATOM 0 HB3 ALA A 773 -1.987 -2.735 5.371 1.00 0.00 H new ATOM 304 N VAL A 774 -0.323 -0.437 4.704 1.00 0.00 N ATOM 305 CA VAL A 774 0.583 0.148 3.716 1.00 0.00 C ATOM 306 C VAL A 774 1.385 1.287 4.336 1.00 0.00 C ATOM 307 O VAL A 774 2.604 1.358 4.181 1.00 0.00 O ATOM 308 CB VAL A 774 -0.180 0.682 2.483 1.00 0.00 C ATOM 309 CG1 VAL A 774 0.776 1.336 1.495 1.00 0.00 C ATOM 310 CG2 VAL A 774 -0.952 -0.436 1.808 1.00 0.00 C ATOM 0 H VAL A 774 -1.312 -0.356 4.470 1.00 0.00 H new ATOM 0 HA VAL A 774 1.256 -0.645 3.390 1.00 0.00 H new ATOM 0 HB VAL A 774 -0.888 1.437 2.825 1.00 0.00 H new ATOM 0 HG11 VAL A 774 0.216 1.704 0.636 1.00 0.00 H new ATOM 0 HG12 VAL A 774 1.286 2.169 1.979 1.00 0.00 H new ATOM 0 HG13 VAL A 774 1.512 0.604 1.162 1.00 0.00 H new ATOM 0 HG21 VAL A 774 -1.483 -0.040 0.942 1.00 0.00 H new ATOM 0 HG22 VAL A 774 -0.259 -1.213 1.485 1.00 0.00 H new ATOM 0 HG23 VAL A 774 -1.669 -0.859 2.511 1.00 0.00 H new ATOM 320 N THR A 775 0.690 2.162 5.052 1.00 0.00 N ATOM 321 CA THR A 775 1.326 3.291 5.719 1.00 0.00 C ATOM 322 C THR A 775 2.416 2.818 6.683 1.00 0.00 C ATOM 323 O THR A 775 3.510 3.383 6.726 1.00 0.00 O ATOM 324 CB THR A 775 0.289 4.138 6.483 1.00 0.00 C ATOM 325 OG1 THR A 775 -0.862 4.368 5.655 1.00 0.00 O ATOM 326 CG2 THR A 775 0.882 5.473 6.910 1.00 0.00 C ATOM 0 H THR A 775 -0.320 2.111 5.186 1.00 0.00 H new ATOM 0 HA THR A 775 1.785 3.909 4.947 1.00 0.00 H new ATOM 0 HB THR A 775 -0.006 3.587 7.376 1.00 0.00 H new ATOM 0 HG1 THR A 775 -1.383 3.541 5.582 1.00 0.00 H new ATOM 0 HG21 THR A 775 0.129 6.050 7.447 1.00 0.00 H new ATOM 0 HG22 THR A 775 1.739 5.299 7.561 1.00 0.00 H new ATOM 0 HG23 THR A 775 1.204 6.027 6.028 1.00 0.00 H new ATOM 334 N GLN A 776 2.121 1.766 7.439 1.00 0.00 N ATOM 335 CA GLN A 776 3.074 1.228 8.399 1.00 0.00 C ATOM 336 C GLN A 776 4.233 0.536 7.690 1.00 0.00 C ATOM 337 O GLN A 776 5.390 0.701 8.076 1.00 0.00 O ATOM 338 CB GLN A 776 2.382 0.255 9.356 1.00 0.00 C ATOM 339 CG GLN A 776 2.358 0.743 10.797 1.00 0.00 C ATOM 340 CD GLN A 776 1.949 2.200 10.910 1.00 0.00 C ATOM 341 OE1 GLN A 776 2.787 3.103 10.838 1.00 0.00 O ATOM 342 NE2 GLN A 776 0.663 2.436 11.094 1.00 0.00 N ATOM 0 H GLN A 776 1.230 1.270 7.405 1.00 0.00 H new ATOM 0 HA GLN A 776 3.475 2.061 8.976 1.00 0.00 H new ATOM 0 HB2 GLN A 776 1.359 0.090 9.018 1.00 0.00 H new ATOM 0 HB3 GLN A 776 2.890 -0.708 9.314 1.00 0.00 H new ATOM 0 HG2 GLN A 776 1.666 0.129 11.374 1.00 0.00 H new ATOM 0 HG3 GLN A 776 3.346 0.611 11.239 1.00 0.00 H new ATOM 0 HE21 GLN A 776 0.004 1.659 11.148 1.00 0.00 H new ATOM 0 HE22 GLN A 776 0.328 3.395 11.183 1.00 0.00 H new ATOM 351 N ALA A 777 3.918 -0.222 6.643 1.00 0.00 N ATOM 352 CA ALA A 777 4.936 -0.918 5.864 1.00 0.00 C ATOM 353 C ALA A 777 5.918 0.072 5.249 1.00 0.00 C ATOM 354 O ALA A 777 7.134 -0.111 5.325 1.00 0.00 O ATOM 355 CB ALA A 777 4.285 -1.762 4.778 1.00 0.00 C ATOM 0 H ALA A 777 2.964 -0.370 6.315 1.00 0.00 H new ATOM 0 HA ALA A 777 5.489 -1.576 6.534 1.00 0.00 H new ATOM 0 HB1 ALA A 777 5.057 -2.276 4.205 1.00 0.00 H new ATOM 0 HB2 ALA A 777 3.624 -2.497 5.236 1.00 0.00 H new ATOM 0 HB3 ALA A 777 3.708 -1.118 4.114 1.00 0.00 H new ATOM 361 N LEU A 778 5.380 1.129 4.652 1.00 0.00 N ATOM 362 CA LEU A 778 6.201 2.168 4.047 1.00 0.00 C ATOM 363 C LEU A 778 7.042 2.869 5.106 1.00 0.00 C ATOM 364 O LEU A 778 8.229 3.121 4.901 1.00 0.00 O ATOM 365 CB LEU A 778 5.319 3.185 3.322 1.00 0.00 C ATOM 366 CG LEU A 778 6.078 4.222 2.497 1.00 0.00 C ATOM 367 CD1 LEU A 778 6.299 3.715 1.083 1.00 0.00 C ATOM 368 CD2 LEU A 778 5.326 5.542 2.480 1.00 0.00 C ATOM 0 H LEU A 778 4.376 1.288 4.574 1.00 0.00 H new ATOM 0 HA LEU A 778 6.869 1.700 3.324 1.00 0.00 H new ATOM 0 HB2 LEU A 778 4.636 2.648 2.664 1.00 0.00 H new ATOM 0 HB3 LEU A 778 4.708 3.705 4.060 1.00 0.00 H new ATOM 0 HG LEU A 778 7.051 4.388 2.959 1.00 0.00 H new ATOM 0 HD11 LEU A 778 6.841 4.466 0.508 1.00 0.00 H new ATOM 0 HD12 LEU A 778 6.879 2.793 1.114 1.00 0.00 H new ATOM 0 HD13 LEU A 778 5.336 3.522 0.611 1.00 0.00 H new ATOM 0 HD21 LEU A 778 5.881 6.269 1.888 1.00 0.00 H new ATOM 0 HD22 LEU A 778 4.340 5.393 2.041 1.00 0.00 H new ATOM 0 HD23 LEU A 778 5.217 5.912 3.500 1.00 0.00 H new ATOM 380 N ASN A 779 6.416 3.172 6.238 1.00 0.00 N ATOM 381 CA ASN A 779 7.102 3.805 7.361 1.00 0.00 C ATOM 382 C ASN A 779 8.266 2.941 7.832 1.00 0.00 C ATOM 383 O ASN A 779 9.358 3.441 8.103 1.00 0.00 O ATOM 384 CB ASN A 779 6.124 4.023 8.517 1.00 0.00 C ATOM 385 CG ASN A 779 6.028 5.473 8.950 1.00 0.00 C ATOM 386 OD1 ASN A 779 6.993 6.232 8.854 1.00 0.00 O ATOM 387 ND2 ASN A 779 4.859 5.864 9.434 1.00 0.00 N ATOM 0 H ASN A 779 5.427 2.988 6.404 1.00 0.00 H new ATOM 0 HA ASN A 779 7.490 4.768 7.029 1.00 0.00 H new ATOM 0 HB2 ASN A 779 5.136 3.673 8.220 1.00 0.00 H new ATOM 0 HB3 ASN A 779 6.435 3.416 9.367 1.00 0.00 H new ATOM 0 HD21 ASN A 779 4.732 6.827 9.745 1.00 0.00 H new ATOM 0 HD22 ASN A 779 4.085 5.202 9.496 1.00 0.00 H new ATOM 394 N GLU A 780 8.017 1.640 7.921 1.00 0.00 N ATOM 395 CA GLU A 780 9.034 0.669 8.308 1.00 0.00 C ATOM 396 C GLU A 780 10.213 0.712 7.345 1.00 0.00 C ATOM 397 O GLU A 780 11.371 0.842 7.755 1.00 0.00 O ATOM 398 CB GLU A 780 8.430 -0.736 8.307 1.00 0.00 C ATOM 399 CG GLU A 780 9.449 -1.839 8.535 1.00 0.00 C ATOM 400 CD GLU A 780 9.239 -2.565 9.844 1.00 0.00 C ATOM 401 OE1 GLU A 780 8.537 -2.025 10.726 1.00 0.00 O ATOM 402 OE2 GLU A 780 9.772 -3.683 9.996 1.00 0.00 O ATOM 0 H GLU A 780 7.104 1.228 7.727 1.00 0.00 H new ATOM 0 HA GLU A 780 9.388 0.919 9.308 1.00 0.00 H new ATOM 0 HB2 GLU A 780 7.666 -0.794 9.082 1.00 0.00 H new ATOM 0 HB3 GLU A 780 7.930 -0.906 7.353 1.00 0.00 H new ATOM 0 HG2 GLU A 780 9.394 -2.554 7.714 1.00 0.00 H new ATOM 0 HG3 GLU A 780 10.451 -1.411 8.518 1.00 0.00 H new ATOM 409 N LEU A 781 9.900 0.602 6.063 1.00 0.00 N ATOM 410 CA LEU A 781 10.908 0.570 5.017 1.00 0.00 C ATOM 411 C LEU A 781 11.700 1.870 4.972 1.00 0.00 C ATOM 412 O LEU A 781 12.905 1.850 4.758 1.00 0.00 O ATOM 413 CB LEU A 781 10.241 0.317 3.668 1.00 0.00 C ATOM 414 CG LEU A 781 11.196 0.190 2.485 1.00 0.00 C ATOM 415 CD1 LEU A 781 11.364 -1.269 2.094 1.00 0.00 C ATOM 416 CD2 LEU A 781 10.692 1.013 1.312 1.00 0.00 C ATOM 0 H LEU A 781 8.942 0.533 5.720 1.00 0.00 H new ATOM 0 HA LEU A 781 11.604 -0.239 5.238 1.00 0.00 H new ATOM 0 HB2 LEU A 781 9.651 -0.597 3.738 1.00 0.00 H new ATOM 0 HB3 LEU A 781 9.545 1.131 3.467 1.00 0.00 H new ATOM 0 HG LEU A 781 12.172 0.576 2.778 1.00 0.00 H new ATOM 0 HD11 LEU A 781 12.048 -1.343 1.249 1.00 0.00 H new ATOM 0 HD12 LEU A 781 11.769 -1.828 2.938 1.00 0.00 H new ATOM 0 HD13 LEU A 781 10.396 -1.685 1.814 1.00 0.00 H new ATOM 0 HD21 LEU A 781 11.383 0.914 0.474 1.00 0.00 H new ATOM 0 HD22 LEU A 781 9.706 0.656 1.014 1.00 0.00 H new ATOM 0 HD23 LEU A 781 10.625 2.061 1.605 1.00 0.00 H new ATOM 428 N LEU A 782 11.021 2.990 5.189 1.00 0.00 N ATOM 429 CA LEU A 782 11.658 4.302 5.129 1.00 0.00 C ATOM 430 C LEU A 782 12.830 4.399 6.101 1.00 0.00 C ATOM 431 O LEU A 782 13.944 4.757 5.708 1.00 0.00 O ATOM 432 CB LEU A 782 10.641 5.403 5.431 1.00 0.00 C ATOM 433 CG LEU A 782 10.109 6.143 4.203 1.00 0.00 C ATOM 434 CD1 LEU A 782 9.110 7.211 4.616 1.00 0.00 C ATOM 435 CD2 LEU A 782 11.257 6.758 3.415 1.00 0.00 C ATOM 0 H LEU A 782 10.025 3.017 5.409 1.00 0.00 H new ATOM 0 HA LEU A 782 12.043 4.435 4.118 1.00 0.00 H new ATOM 0 HB2 LEU A 782 9.799 4.963 5.965 1.00 0.00 H new ATOM 0 HB3 LEU A 782 11.101 6.128 6.103 1.00 0.00 H new ATOM 0 HG LEU A 782 9.597 5.426 3.562 1.00 0.00 H new ATOM 0 HD11 LEU A 782 8.742 7.727 3.729 1.00 0.00 H new ATOM 0 HD12 LEU A 782 8.274 6.745 5.138 1.00 0.00 H new ATOM 0 HD13 LEU A 782 9.596 7.928 5.278 1.00 0.00 H new ATOM 0 HD21 LEU A 782 10.862 7.281 2.544 1.00 0.00 H new ATOM 0 HD22 LEU A 782 11.796 7.463 4.048 1.00 0.00 H new ATOM 0 HD23 LEU A 782 11.937 5.971 3.088 1.00 0.00 H new ATOM 701 N ALA A 801 9.036 7.890 -4.546 1.00 0.00 N ATOM 702 CA ALA A 801 8.279 6.653 -4.443 1.00 0.00 C ATOM 703 C ALA A 801 7.489 6.610 -3.142 1.00 0.00 C ATOM 704 O ALA A 801 6.275 6.400 -3.150 1.00 0.00 O ATOM 705 CB ALA A 801 9.209 5.456 -4.546 1.00 0.00 C ATOM 0 HA ALA A 801 7.570 6.613 -5.270 1.00 0.00 H new ATOM 0 HB1 ALA A 801 8.629 4.537 -4.467 1.00 0.00 H new ATOM 0 HB2 ALA A 801 9.726 5.478 -5.506 1.00 0.00 H new ATOM 0 HB3 ALA A 801 9.941 5.493 -3.739 1.00 0.00 H new ATOM 711 N THR A 802 8.171 6.842 -2.025 1.00 0.00 N ATOM 712 CA THR A 802 7.527 6.804 -0.723 1.00 0.00 C ATOM 713 C THR A 802 6.520 7.940 -0.590 1.00 0.00 C ATOM 714 O THR A 802 5.436 7.767 -0.030 1.00 0.00 O ATOM 715 CB THR A 802 8.560 6.888 0.417 1.00 0.00 C ATOM 716 OG1 THR A 802 9.461 7.980 0.189 1.00 0.00 O ATOM 717 CG2 THR A 802 9.349 5.592 0.522 1.00 0.00 C ATOM 0 H THR A 802 9.168 7.058 -1.998 1.00 0.00 H new ATOM 0 HA THR A 802 7.004 5.851 -0.644 1.00 0.00 H new ATOM 0 HB THR A 802 8.023 7.051 1.352 1.00 0.00 H new ATOM 0 HG1 THR A 802 10.370 7.711 0.437 1.00 0.00 H new ATOM 0 HG21 THR A 802 10.073 5.672 1.333 1.00 0.00 H new ATOM 0 HG22 THR A 802 8.667 4.766 0.724 1.00 0.00 H new ATOM 0 HG23 THR A 802 9.873 5.408 -0.416 1.00 0.00 H new ATOM 725 N ASP A 803 6.883 9.097 -1.134 1.00 0.00 N ATOM 726 CA ASP A 803 6.020 10.273 -1.105 1.00 0.00 C ATOM 727 C ASP A 803 4.717 10.012 -1.849 1.00 0.00 C ATOM 728 O ASP A 803 3.637 10.338 -1.356 1.00 0.00 O ATOM 729 CB ASP A 803 6.740 11.470 -1.723 1.00 0.00 C ATOM 730 CG ASP A 803 6.028 12.777 -1.461 1.00 0.00 C ATOM 731 OD1 ASP A 803 5.827 13.121 -0.278 1.00 0.00 O ATOM 732 OD2 ASP A 803 5.679 13.471 -2.436 1.00 0.00 O ATOM 0 H ASP A 803 7.776 9.246 -1.604 1.00 0.00 H new ATOM 0 HA ASP A 803 5.784 10.494 -0.064 1.00 0.00 H new ATOM 0 HB2 ASP A 803 7.752 11.526 -1.323 1.00 0.00 H new ATOM 0 HB3 ASP A 803 6.830 11.319 -2.799 1.00 0.00 H new ATOM 737 N THR A 804 4.824 9.415 -3.030 1.00 0.00 N ATOM 738 CA THR A 804 3.652 9.089 -3.829 1.00 0.00 C ATOM 739 C THR A 804 2.738 8.114 -3.083 1.00 0.00 C ATOM 740 O THR A 804 1.531 8.337 -2.986 1.00 0.00 O ATOM 741 CB THR A 804 4.051 8.494 -5.198 1.00 0.00 C ATOM 742 OG1 THR A 804 4.861 9.432 -5.919 1.00 0.00 O ATOM 743 CG2 THR A 804 2.821 8.149 -6.026 1.00 0.00 C ATOM 0 H THR A 804 5.712 9.147 -3.455 1.00 0.00 H new ATOM 0 HA THR A 804 3.109 10.018 -4.004 1.00 0.00 H new ATOM 0 HB THR A 804 4.615 7.579 -5.017 1.00 0.00 H new ATOM 0 HG1 THR A 804 5.112 9.049 -6.785 1.00 0.00 H new ATOM 0 HG21 THR A 804 3.132 7.732 -6.984 1.00 0.00 H new ATOM 0 HG22 THR A 804 2.216 7.417 -5.491 1.00 0.00 H new ATOM 0 HG23 THR A 804 2.233 9.051 -6.197 1.00 0.00 H new ATOM 751 N ILE A 805 3.325 7.053 -2.533 1.00 0.00 N ATOM 752 CA ILE A 805 2.561 6.050 -1.799 1.00 0.00 C ATOM 753 C ILE A 805 1.843 6.671 -0.608 1.00 0.00 C ATOM 754 O ILE A 805 0.624 6.564 -0.493 1.00 0.00 O ATOM 755 CB ILE A 805 3.464 4.896 -1.308 1.00 0.00 C ATOM 756 CG1 ILE A 805 3.822 3.984 -2.475 1.00 0.00 C ATOM 757 CG2 ILE A 805 2.789 4.093 -0.201 1.00 0.00 C ATOM 758 CD1 ILE A 805 5.252 3.517 -2.441 1.00 0.00 C ATOM 0 H ILE A 805 4.327 6.867 -2.582 1.00 0.00 H new ATOM 0 HA ILE A 805 1.822 5.646 -2.491 1.00 0.00 H new ATOM 0 HB ILE A 805 4.375 5.331 -0.897 1.00 0.00 H new ATOM 0 HG12 ILE A 805 3.162 3.116 -2.466 1.00 0.00 H new ATOM 0 HG13 ILE A 805 3.641 4.513 -3.411 1.00 0.00 H new ATOM 0 HG21 ILE A 805 3.451 3.289 0.121 1.00 0.00 H new ATOM 0 HG22 ILE A 805 2.574 4.747 0.644 1.00 0.00 H new ATOM 0 HG23 ILE A 805 1.858 3.668 -0.576 1.00 0.00 H new ATOM 0 HD11 ILE A 805 5.444 2.871 -3.298 1.00 0.00 H new ATOM 0 HD12 ILE A 805 5.917 4.379 -2.480 1.00 0.00 H new ATOM 0 HD13 ILE A 805 5.432 2.961 -1.521 1.00 0.00 H new ATOM 770 N LEU A 806 2.598 7.325 0.269 1.00 0.00 N ATOM 771 CA LEU A 806 2.023 7.927 1.471 1.00 0.00 C ATOM 772 C LEU A 806 0.876 8.863 1.124 1.00 0.00 C ATOM 773 O LEU A 806 -0.219 8.724 1.659 1.00 0.00 O ATOM 774 CB LEU A 806 3.078 8.692 2.265 1.00 0.00 C ATOM 775 CG LEU A 806 3.309 8.183 3.691 1.00 0.00 C ATOM 776 CD1 LEU A 806 4.282 9.084 4.427 1.00 0.00 C ATOM 777 CD2 LEU A 806 1.994 8.094 4.450 1.00 0.00 C ATOM 0 H LEU A 806 3.605 7.452 0.172 1.00 0.00 H new ATOM 0 HA LEU A 806 1.641 7.111 2.084 1.00 0.00 H new ATOM 0 HB2 LEU A 806 4.022 8.648 1.722 1.00 0.00 H new ATOM 0 HB3 LEU A 806 2.786 9.741 2.312 1.00 0.00 H new ATOM 0 HG LEU A 806 3.740 7.184 3.630 1.00 0.00 H new ATOM 0 HD11 LEU A 806 4.434 8.707 5.438 1.00 0.00 H new ATOM 0 HD12 LEU A 806 5.235 9.099 3.898 1.00 0.00 H new ATOM 0 HD13 LEU A 806 3.877 10.095 4.474 1.00 0.00 H new ATOM 0 HD21 LEU A 806 2.181 7.730 5.460 1.00 0.00 H new ATOM 0 HD22 LEU A 806 1.535 9.081 4.499 1.00 0.00 H new ATOM 0 HD23 LEU A 806 1.323 7.406 3.935 1.00 0.00 H new ATOM 789 N THR A 807 1.129 9.799 0.219 1.00 0.00 N ATOM 790 CA THR A 807 0.112 10.756 -0.191 1.00 0.00 C ATOM 791 C THR A 807 -1.118 10.040 -0.746 1.00 0.00 C ATOM 792 O THR A 807 -2.247 10.389 -0.411 1.00 0.00 O ATOM 793 CB THR A 807 0.665 11.740 -1.238 1.00 0.00 C ATOM 794 OG1 THR A 807 1.906 12.283 -0.771 1.00 0.00 O ATOM 795 CG2 THR A 807 -0.319 12.871 -1.507 1.00 0.00 C ATOM 0 H THR A 807 2.030 9.915 -0.245 1.00 0.00 H new ATOM 0 HA THR A 807 -0.181 11.322 0.693 1.00 0.00 H new ATOM 0 HB THR A 807 0.821 11.198 -2.170 1.00 0.00 H new ATOM 0 HG1 THR A 807 2.651 11.784 -1.167 1.00 0.00 H new ATOM 0 HG21 THR A 807 0.100 13.549 -2.250 1.00 0.00 H new ATOM 0 HG22 THR A 807 -1.256 12.457 -1.881 1.00 0.00 H new ATOM 0 HG23 THR A 807 -0.507 13.417 -0.583 1.00 0.00 H new ATOM 803 N VAL A 808 -0.886 9.019 -1.562 1.00 0.00 N ATOM 804 CA VAL A 808 -1.970 8.252 -2.163 1.00 0.00 C ATOM 805 C VAL A 808 -2.775 7.501 -1.096 1.00 0.00 C ATOM 806 O VAL A 808 -3.999 7.616 -1.042 1.00 0.00 O ATOM 807 CB VAL A 808 -1.421 7.258 -3.217 1.00 0.00 C ATOM 808 CG1 VAL A 808 -2.269 5.999 -3.301 1.00 0.00 C ATOM 809 CG2 VAL A 808 -1.330 7.928 -4.577 1.00 0.00 C ATOM 0 H VAL A 808 0.048 8.702 -1.824 1.00 0.00 H new ATOM 0 HA VAL A 808 -2.637 8.956 -2.661 1.00 0.00 H new ATOM 0 HB VAL A 808 -0.422 6.960 -2.900 1.00 0.00 H new ATOM 0 HG11 VAL A 808 -1.851 5.328 -4.051 1.00 0.00 H new ATOM 0 HG12 VAL A 808 -2.277 5.500 -2.332 1.00 0.00 H new ATOM 0 HG13 VAL A 808 -3.289 6.265 -3.580 1.00 0.00 H new ATOM 0 HG21 VAL A 808 -0.943 7.218 -5.307 1.00 0.00 H new ATOM 0 HG22 VAL A 808 -2.321 8.262 -4.885 1.00 0.00 H new ATOM 0 HG23 VAL A 808 -0.661 8.786 -4.516 1.00 0.00 H new ATOM 819 N THR A 809 -2.085 6.750 -0.241 1.00 0.00 N ATOM 820 CA THR A 809 -2.751 5.971 0.799 1.00 0.00 C ATOM 821 C THR A 809 -3.476 6.884 1.777 1.00 0.00 C ATOM 822 O THR A 809 -4.605 6.608 2.186 1.00 0.00 O ATOM 823 CB THR A 809 -1.758 5.083 1.574 1.00 0.00 C ATOM 824 OG1 THR A 809 -0.702 4.649 0.707 1.00 0.00 O ATOM 825 CG2 THR A 809 -2.463 3.871 2.155 1.00 0.00 C ATOM 0 H THR A 809 -1.069 6.665 -0.248 1.00 0.00 H new ATOM 0 HA THR A 809 -3.473 5.326 0.298 1.00 0.00 H new ATOM 0 HB THR A 809 -1.339 5.673 2.389 1.00 0.00 H new ATOM 0 HG1 THR A 809 -0.051 5.373 0.597 1.00 0.00 H new ATOM 0 HG21 THR A 809 -1.744 3.257 2.698 1.00 0.00 H new ATOM 0 HG22 THR A 809 -3.248 4.199 2.836 1.00 0.00 H new ATOM 0 HG23 THR A 809 -2.904 3.285 1.348 1.00 0.00 H new ATOM 833 N GLU A 810 -2.826 7.984 2.128 1.00 0.00 N ATOM 834 CA GLU A 810 -3.407 8.962 3.028 1.00 0.00 C ATOM 835 C GLU A 810 -4.615 9.634 2.370 1.00 0.00 C ATOM 836 O GLU A 810 -5.567 10.024 3.047 1.00 0.00 O ATOM 837 CB GLU A 810 -2.339 9.986 3.439 1.00 0.00 C ATOM 838 CG GLU A 810 -2.887 11.187 4.193 1.00 0.00 C ATOM 839 CD GLU A 810 -3.273 10.853 5.620 1.00 0.00 C ATOM 840 OE1 GLU A 810 -2.567 10.049 6.264 1.00 0.00 O ATOM 841 OE2 GLU A 810 -4.282 11.403 6.107 1.00 0.00 O ATOM 0 H GLU A 810 -1.890 8.220 1.799 1.00 0.00 H new ATOM 0 HA GLU A 810 -3.761 8.464 3.931 1.00 0.00 H new ATOM 0 HB2 GLU A 810 -1.595 9.489 4.061 1.00 0.00 H new ATOM 0 HB3 GLU A 810 -1.824 10.336 2.545 1.00 0.00 H new ATOM 0 HG2 GLU A 810 -2.139 11.980 4.199 1.00 0.00 H new ATOM 0 HG3 GLU A 810 -3.759 11.575 3.666 1.00 0.00 H new ATOM 848 N ASN A 811 -4.585 9.732 1.042 1.00 0.00 N ATOM 849 CA ASN A 811 -5.697 10.299 0.280 1.00 0.00 C ATOM 850 C ASN A 811 -6.938 9.429 0.417 1.00 0.00 C ATOM 851 O ASN A 811 -8.054 9.934 0.504 1.00 0.00 O ATOM 852 CB ASN A 811 -5.342 10.417 -1.204 1.00 0.00 C ATOM 853 CG ASN A 811 -4.709 11.742 -1.575 1.00 0.00 C ATOM 854 OD1 ASN A 811 -4.757 12.712 -0.817 1.00 0.00 O ATOM 855 ND2 ASN A 811 -4.109 11.786 -2.753 1.00 0.00 N ATOM 0 H ASN A 811 -3.799 9.425 0.469 1.00 0.00 H new ATOM 0 HA ASN A 811 -5.896 11.292 0.683 1.00 0.00 H new ATOM 0 HB2 ASN A 811 -4.659 9.611 -1.470 1.00 0.00 H new ATOM 0 HB3 ASN A 811 -6.246 10.278 -1.797 1.00 0.00 H new ATOM 0 HD21 ASN A 811 -3.662 12.648 -3.066 1.00 0.00 H new ATOM 0 HD22 ASN A 811 -4.093 10.958 -3.349 1.00 0.00 H new ATOM 862 N ILE A 812 -6.738 8.113 0.430 1.00 0.00 N ATOM 863 CA ILE A 812 -7.848 7.171 0.546 1.00 0.00 C ATOM 864 C ILE A 812 -8.575 7.356 1.877 1.00 0.00 C ATOM 865 O ILE A 812 -9.790 7.192 1.954 1.00 0.00 O ATOM 866 CB ILE A 812 -7.372 5.703 0.400 1.00 0.00 C ATOM 867 CG1 ILE A 812 -6.860 5.451 -1.019 1.00 0.00 C ATOM 868 CG2 ILE A 812 -8.497 4.727 0.728 1.00 0.00 C ATOM 869 CD1 ILE A 812 -5.501 4.788 -1.068 1.00 0.00 C ATOM 0 H ILE A 812 -5.819 7.676 0.362 1.00 0.00 H new ATOM 0 HA ILE A 812 -8.539 7.383 -0.270 1.00 0.00 H new ATOM 0 HB ILE A 812 -6.559 5.540 1.108 1.00 0.00 H new ATOM 0 HG12 ILE A 812 -7.578 4.826 -1.549 1.00 0.00 H new ATOM 0 HG13 ILE A 812 -6.810 6.401 -1.552 1.00 0.00 H new ATOM 0 HG21 ILE A 812 -8.136 3.705 0.617 1.00 0.00 H new ATOM 0 HG22 ILE A 812 -8.829 4.886 1.754 1.00 0.00 H new ATOM 0 HG23 ILE A 812 -9.332 4.892 0.047 1.00 0.00 H new ATOM 0 HD11 ILE A 812 -5.205 4.642 -2.107 1.00 0.00 H new ATOM 0 HD12 ILE A 812 -4.769 5.422 -0.568 1.00 0.00 H new ATOM 0 HD13 ILE A 812 -5.549 3.822 -0.565 1.00 0.00 H new ATOM 881 N PHE A 813 -7.831 7.722 2.916 1.00 0.00 N ATOM 882 CA PHE A 813 -8.425 7.987 4.223 1.00 0.00 C ATOM 883 C PHE A 813 -9.324 9.219 4.163 1.00 0.00 C ATOM 884 O PHE A 813 -10.380 9.265 4.794 1.00 0.00 O ATOM 885 CB PHE A 813 -7.335 8.197 5.277 1.00 0.00 C ATOM 886 CG PHE A 813 -6.663 6.928 5.713 1.00 0.00 C ATOM 887 CD1 PHE A 813 -7.380 5.927 6.347 1.00 0.00 C ATOM 888 CD2 PHE A 813 -5.311 6.740 5.491 1.00 0.00 C ATOM 889 CE1 PHE A 813 -6.758 4.759 6.747 1.00 0.00 C ATOM 890 CE2 PHE A 813 -4.684 5.577 5.888 1.00 0.00 C ATOM 891 CZ PHE A 813 -5.408 4.586 6.518 1.00 0.00 C ATOM 0 H PHE A 813 -6.819 7.842 2.879 1.00 0.00 H new ATOM 0 HA PHE A 813 -9.026 7.122 4.502 1.00 0.00 H new ATOM 0 HB2 PHE A 813 -6.583 8.877 4.878 1.00 0.00 H new ATOM 0 HB3 PHE A 813 -7.774 8.683 6.148 1.00 0.00 H new ATOM 0 HD1 PHE A 813 -8.436 6.060 6.531 1.00 0.00 H new ATOM 0 HD2 PHE A 813 -4.739 7.514 5.001 1.00 0.00 H new ATOM 0 HE1 PHE A 813 -7.327 3.983 7.238 1.00 0.00 H new ATOM 0 HE2 PHE A 813 -3.628 5.443 5.706 1.00 0.00 H new ATOM 0 HZ PHE A 813 -4.919 3.676 6.832 1.00 0.00 H new ATOM 901 N SER A 814 -8.902 10.212 3.393 1.00 0.00 N ATOM 902 CA SER A 814 -9.663 11.442 3.240 1.00 0.00 C ATOM 903 C SER A 814 -10.843 11.238 2.293 1.00 0.00 C ATOM 904 O SER A 814 -11.902 11.839 2.461 1.00 0.00 O ATOM 905 CB SER A 814 -8.749 12.547 2.711 1.00 0.00 C ATOM 906 OG SER A 814 -7.387 12.160 2.809 1.00 0.00 O ATOM 0 H SER A 814 -8.031 10.188 2.862 1.00 0.00 H new ATOM 0 HA SER A 814 -10.057 11.732 4.214 1.00 0.00 H new ATOM 0 HB2 SER A 814 -8.997 12.765 1.672 1.00 0.00 H new ATOM 0 HB3 SER A 814 -8.913 13.464 3.277 1.00 0.00 H new ATOM 0 HG SER A 814 -6.817 12.879 2.464 1.00 0.00 H new ATOM 912 N SER A 815 -10.660 10.368 1.311 1.00 0.00 N ATOM 913 CA SER A 815 -11.678 10.136 0.297 1.00 0.00 C ATOM 914 C SER A 815 -12.438 8.839 0.558 1.00 0.00 C ATOM 915 O SER A 815 -13.063 8.288 -0.349 1.00 0.00 O ATOM 916 CB SER A 815 -11.032 10.098 -1.088 1.00 0.00 C ATOM 917 OG SER A 815 -9.898 10.952 -1.144 1.00 0.00 O ATOM 0 H SER A 815 -9.814 9.810 1.195 1.00 0.00 H new ATOM 0 HA SER A 815 -12.394 10.957 0.341 1.00 0.00 H new ATOM 0 HB2 SER A 815 -10.735 9.077 -1.327 1.00 0.00 H new ATOM 0 HB3 SER A 815 -11.759 10.403 -1.841 1.00 0.00 H new ATOM 0 HG SER A 815 -9.118 10.485 -0.778 1.00 0.00 H new ATOM 923 N MET A 816 -12.379 8.356 1.797 1.00 0.00 N ATOM 924 CA MET A 816 -13.077 7.133 2.179 1.00 0.00 C ATOM 925 C MET A 816 -14.580 7.334 2.068 1.00 0.00 C ATOM 926 O MET A 816 -15.213 7.908 2.955 1.00 0.00 O ATOM 927 CB MET A 816 -12.705 6.718 3.605 1.00 0.00 C ATOM 928 CG MET A 816 -12.411 5.233 3.746 1.00 0.00 C ATOM 929 SD MET A 816 -11.490 4.841 5.244 1.00 0.00 S ATOM 930 CE MET A 816 -9.983 4.179 4.540 1.00 0.00 C ATOM 0 H MET A 816 -11.854 8.794 2.554 1.00 0.00 H new ATOM 0 HA MET A 816 -12.773 6.337 1.500 1.00 0.00 H new ATOM 0 HB2 MET A 816 -11.831 7.285 3.924 1.00 0.00 H new ATOM 0 HB3 MET A 816 -13.521 6.984 4.277 1.00 0.00 H new ATOM 0 HG2 MET A 816 -13.350 4.680 3.748 1.00 0.00 H new ATOM 0 HG3 MET A 816 -11.844 4.896 2.878 1.00 0.00 H new ATOM 0 HE1 MET A 816 -9.244 4.037 5.329 1.00 0.00 H new ATOM 0 HE2 MET A 816 -10.194 3.221 4.064 1.00 0.00 H new ATOM 0 HE3 MET A 816 -9.592 4.875 3.798 1.00 0.00 H new ATOM 940 N GLY A 817 -15.136 6.870 0.968 1.00 0.00 N ATOM 941 CA GLY A 817 -16.534 7.088 0.687 1.00 0.00 C ATOM 942 C GLY A 817 -16.753 7.339 -0.784 1.00 0.00 C ATOM 943 O GLY A 817 -17.806 7.016 -1.332 1.00 0.00 O ATOM 0 H GLY A 817 -14.637 6.339 0.254 1.00 0.00 H new ATOM 0 HA2 GLY A 817 -17.112 6.220 1.002 1.00 0.00 H new ATOM 0 HA3 GLY A 817 -16.897 7.939 1.263 1.00 0.00 H new ATOM 947 N ASP A 818 -15.744 7.915 -1.427 1.00 0.00 N ATOM 948 CA ASP A 818 -15.778 8.113 -2.866 1.00 0.00 C ATOM 949 C ASP A 818 -15.131 6.927 -3.554 1.00 0.00 C ATOM 950 O ASP A 818 -13.908 6.769 -3.533 1.00 0.00 O ATOM 951 CB ASP A 818 -15.071 9.405 -3.280 1.00 0.00 C ATOM 952 CG ASP A 818 -15.324 9.749 -4.738 1.00 0.00 C ATOM 953 OD1 ASP A 818 -14.804 9.044 -5.625 1.00 0.00 O ATOM 954 OD2 ASP A 818 -16.057 10.724 -5.007 1.00 0.00 O ATOM 0 H ASP A 818 -14.895 8.252 -0.973 1.00 0.00 H new ATOM 0 HA ASP A 818 -16.821 8.198 -3.170 1.00 0.00 H new ATOM 0 HB2 ASP A 818 -15.415 10.225 -2.649 1.00 0.00 H new ATOM 0 HB3 ASP A 818 -13.999 9.302 -3.112 1.00 0.00 H new ATOM 959 N ALA A 819 -15.965 6.098 -4.155 1.00 0.00 N ATOM 960 CA ALA A 819 -15.520 4.872 -4.797 1.00 0.00 C ATOM 961 C ALA A 819 -14.487 5.149 -5.882 1.00 0.00 C ATOM 962 O ALA A 819 -13.437 4.508 -5.931 1.00 0.00 O ATOM 963 CB ALA A 819 -16.714 4.149 -5.392 1.00 0.00 C ATOM 0 H ALA A 819 -16.971 6.255 -4.212 1.00 0.00 H new ATOM 0 HA ALA A 819 -15.046 4.246 -4.041 1.00 0.00 H new ATOM 0 HB1 ALA A 819 -16.380 3.230 -5.873 1.00 0.00 H new ATOM 0 HB2 ALA A 819 -17.424 3.907 -4.601 1.00 0.00 H new ATOM 0 HB3 ALA A 819 -17.197 4.790 -6.130 1.00 0.00 H new ATOM 969 N GLY A 820 -14.787 6.121 -6.734 1.00 0.00 N ATOM 970 CA GLY A 820 -13.930 6.410 -7.863 1.00 0.00 C ATOM 971 C GLY A 820 -12.568 6.920 -7.443 1.00 0.00 C ATOM 972 O GLY A 820 -11.548 6.469 -7.962 1.00 0.00 O ATOM 0 H GLY A 820 -15.613 6.716 -6.661 1.00 0.00 H new ATOM 0 HA2 GLY A 820 -13.807 5.508 -8.462 1.00 0.00 H new ATOM 0 HA3 GLY A 820 -14.412 7.152 -8.500 1.00 0.00 H new ATOM 976 N GLU A 821 -12.548 7.852 -6.499 1.00 0.00 N ATOM 977 CA GLU A 821 -11.299 8.413 -6.009 1.00 0.00 C ATOM 978 C GLU A 821 -10.492 7.354 -5.273 1.00 0.00 C ATOM 979 O GLU A 821 -9.282 7.242 -5.460 1.00 0.00 O ATOM 980 CB GLU A 821 -11.569 9.602 -5.083 1.00 0.00 C ATOM 981 CG GLU A 821 -10.320 10.387 -4.718 1.00 0.00 C ATOM 982 CD GLU A 821 -9.635 10.983 -5.930 1.00 0.00 C ATOM 983 OE1 GLU A 821 -8.822 10.283 -6.566 1.00 0.00 O ATOM 984 OE2 GLU A 821 -9.913 12.154 -6.256 1.00 0.00 O ATOM 0 H GLU A 821 -13.384 8.235 -6.058 1.00 0.00 H new ATOM 0 HA GLU A 821 -10.723 8.761 -6.866 1.00 0.00 H new ATOM 0 HB2 GLU A 821 -12.281 10.272 -5.565 1.00 0.00 H new ATOM 0 HB3 GLU A 821 -12.040 9.240 -4.169 1.00 0.00 H new ATOM 0 HG2 GLU A 821 -10.586 11.186 -4.026 1.00 0.00 H new ATOM 0 HG3 GLU A 821 -9.623 9.732 -4.196 1.00 0.00 H new ATOM 991 N MET A 822 -11.168 6.567 -4.449 1.00 0.00 N ATOM 992 CA MET A 822 -10.504 5.528 -3.679 1.00 0.00 C ATOM 993 C MET A 822 -9.852 4.503 -4.602 1.00 0.00 C ATOM 994 O MET A 822 -8.705 4.109 -4.391 1.00 0.00 O ATOM 995 CB MET A 822 -11.493 4.842 -2.741 1.00 0.00 C ATOM 996 CG MET A 822 -11.603 5.515 -1.383 1.00 0.00 C ATOM 997 SD MET A 822 -13.001 4.911 -0.417 1.00 0.00 S ATOM 998 CE MET A 822 -12.979 3.179 -0.859 1.00 0.00 C ATOM 0 H MET A 822 -12.175 6.629 -4.297 1.00 0.00 H new ATOM 0 HA MET A 822 -9.723 5.997 -3.080 1.00 0.00 H new ATOM 0 HB2 MET A 822 -12.476 4.826 -3.211 1.00 0.00 H new ATOM 0 HB3 MET A 822 -11.189 3.805 -2.601 1.00 0.00 H new ATOM 0 HG2 MET A 822 -10.682 5.349 -0.824 1.00 0.00 H new ATOM 0 HG3 MET A 822 -11.701 6.592 -1.523 1.00 0.00 H new ATOM 0 HE1 MET A 822 -13.553 2.610 -0.128 1.00 0.00 H new ATOM 0 HE2 MET A 822 -13.421 3.050 -1.847 1.00 0.00 H new ATOM 0 HE3 MET A 822 -11.950 2.820 -0.872 1.00 0.00 H new ATOM 1008 N VAL A 823 -10.582 4.087 -5.634 1.00 0.00 N ATOM 1009 CA VAL A 823 -10.046 3.156 -6.619 1.00 0.00 C ATOM 1010 C VAL A 823 -8.929 3.822 -7.421 1.00 0.00 C ATOM 1011 O VAL A 823 -7.916 3.195 -7.732 1.00 0.00 O ATOM 1012 CB VAL A 823 -11.150 2.641 -7.575 1.00 0.00 C ATOM 1013 CG1 VAL A 823 -10.553 1.928 -8.782 1.00 0.00 C ATOM 1014 CG2 VAL A 823 -12.100 1.716 -6.833 1.00 0.00 C ATOM 0 H VAL A 823 -11.543 4.380 -5.808 1.00 0.00 H new ATOM 0 HA VAL A 823 -9.642 2.299 -6.080 1.00 0.00 H new ATOM 0 HB VAL A 823 -11.707 3.505 -7.939 1.00 0.00 H new ATOM 0 HG11 VAL A 823 -11.355 1.579 -9.432 1.00 0.00 H new ATOM 0 HG12 VAL A 823 -9.914 2.618 -9.333 1.00 0.00 H new ATOM 0 HG13 VAL A 823 -9.962 1.076 -8.446 1.00 0.00 H new ATOM 0 HG21 VAL A 823 -12.871 1.361 -7.517 1.00 0.00 H new ATOM 0 HG22 VAL A 823 -11.545 0.865 -6.439 1.00 0.00 H new ATOM 0 HG23 VAL A 823 -12.566 2.258 -6.010 1.00 0.00 H new ATOM 1024 N ARG A 824 -9.120 5.101 -7.737 1.00 0.00 N ATOM 1025 CA ARG A 824 -8.111 5.883 -8.443 1.00 0.00 C ATOM 1026 C ARG A 824 -6.794 5.867 -7.680 1.00 0.00 C ATOM 1027 O ARG A 824 -5.757 5.488 -8.225 1.00 0.00 O ATOM 1028 CB ARG A 824 -8.585 7.328 -8.622 1.00 0.00 C ATOM 1029 CG ARG A 824 -7.550 8.230 -9.272 1.00 0.00 C ATOM 1030 CD ARG A 824 -8.204 9.337 -10.079 1.00 0.00 C ATOM 1031 NE ARG A 824 -8.672 10.433 -9.234 1.00 0.00 N ATOM 1032 CZ ARG A 824 -9.033 11.630 -9.697 1.00 0.00 C ATOM 1033 NH1 ARG A 824 -8.938 11.908 -10.991 1.00 0.00 N ATOM 1034 NH2 ARG A 824 -9.489 12.552 -8.862 1.00 0.00 N ATOM 0 H ARG A 824 -9.970 5.619 -7.513 1.00 0.00 H new ATOM 0 HA ARG A 824 -7.957 5.434 -9.424 1.00 0.00 H new ATOM 0 HB2 ARG A 824 -9.491 7.332 -9.228 1.00 0.00 H new ATOM 0 HB3 ARG A 824 -8.852 7.738 -7.648 1.00 0.00 H new ATOM 0 HG2 ARG A 824 -6.913 8.667 -8.503 1.00 0.00 H new ATOM 0 HG3 ARG A 824 -6.906 7.637 -9.921 1.00 0.00 H new ATOM 0 HD2 ARG A 824 -7.492 9.722 -10.809 1.00 0.00 H new ATOM 0 HD3 ARG A 824 -9.045 8.928 -10.639 1.00 0.00 H new ATOM 0 HE ARG A 824 -8.726 10.273 -8.228 1.00 0.00 H new ATOM 0 HH11 ARG A 824 -8.587 11.203 -11.640 1.00 0.00 H new ATOM 0 HH12 ARG A 824 -9.216 12.826 -11.337 1.00 0.00 H new ATOM 0 HH21 ARG A 824 -9.564 12.346 -7.866 1.00 0.00 H new ATOM 0 HH22 ARG A 824 -9.765 13.468 -9.215 1.00 0.00 H new ATOM 1048 N GLN A 825 -6.846 6.262 -6.414 1.00 0.00 N ATOM 1049 CA GLN A 825 -5.657 6.299 -5.579 1.00 0.00 C ATOM 1050 C GLN A 825 -5.076 4.901 -5.418 1.00 0.00 C ATOM 1051 O GLN A 825 -3.866 4.714 -5.506 1.00 0.00 O ATOM 1052 CB GLN A 825 -5.981 6.900 -4.213 1.00 0.00 C ATOM 1053 CG GLN A 825 -6.674 8.248 -4.293 1.00 0.00 C ATOM 1054 CD GLN A 825 -5.737 9.374 -4.676 1.00 0.00 C ATOM 1055 OE1 GLN A 825 -4.587 9.422 -4.235 1.00 0.00 O ATOM 1056 NE2 GLN A 825 -6.222 10.287 -5.499 1.00 0.00 N ATOM 0 H GLN A 825 -7.701 6.561 -5.945 1.00 0.00 H new ATOM 0 HA GLN A 825 -4.914 6.929 -6.067 1.00 0.00 H new ATOM 0 HB2 GLN A 825 -6.615 6.206 -3.661 1.00 0.00 H new ATOM 0 HB3 GLN A 825 -5.057 7.008 -3.644 1.00 0.00 H new ATOM 0 HG2 GLN A 825 -7.482 8.192 -5.022 1.00 0.00 H new ATOM 0 HG3 GLN A 825 -7.129 8.474 -3.329 1.00 0.00 H new ATOM 0 HE21 GLN A 825 -7.180 10.209 -5.840 1.00 0.00 H new ATOM 0 HE22 GLN A 825 -5.638 11.070 -5.793 1.00 0.00 H new ATOM 1065 N ALA A 826 -5.944 3.916 -5.212 1.00 0.00 N ATOM 1066 CA ALA A 826 -5.514 2.529 -5.075 1.00 0.00 C ATOM 1067 C ALA A 826 -4.722 2.076 -6.303 1.00 0.00 C ATOM 1068 O ALA A 826 -3.751 1.326 -6.189 1.00 0.00 O ATOM 1069 CB ALA A 826 -6.714 1.620 -4.850 1.00 0.00 C ATOM 0 H ALA A 826 -6.952 4.053 -5.136 1.00 0.00 H new ATOM 0 HA ALA A 826 -4.858 2.462 -4.207 1.00 0.00 H new ATOM 0 HB1 ALA A 826 -6.376 0.589 -4.750 1.00 0.00 H new ATOM 0 HB2 ALA A 826 -7.233 1.921 -3.940 1.00 0.00 H new ATOM 0 HB3 ALA A 826 -7.394 1.698 -5.699 1.00 0.00 H new ATOM 1075 N ARG A 827 -5.133 2.553 -7.473 1.00 0.00 N ATOM 1076 CA ARG A 827 -4.441 2.235 -8.717 1.00 0.00 C ATOM 1077 C ARG A 827 -3.050 2.859 -8.734 1.00 0.00 C ATOM 1078 O ARG A 827 -2.068 2.202 -9.084 1.00 0.00 O ATOM 1079 CB ARG A 827 -5.247 2.730 -9.919 1.00 0.00 C ATOM 1080 CG ARG A 827 -6.383 1.803 -10.312 1.00 0.00 C ATOM 1081 CD ARG A 827 -7.202 2.383 -11.451 1.00 0.00 C ATOM 1082 NE ARG A 827 -6.422 2.501 -12.683 1.00 0.00 N ATOM 1083 CZ ARG A 827 -6.948 2.763 -13.878 1.00 0.00 C ATOM 1084 NH1 ARG A 827 -8.256 2.949 -14.011 1.00 0.00 N ATOM 1085 NH2 ARG A 827 -6.158 2.846 -14.942 1.00 0.00 N ATOM 0 H ARG A 827 -5.943 3.162 -7.586 1.00 0.00 H new ATOM 0 HA ARG A 827 -4.340 1.152 -8.781 1.00 0.00 H new ATOM 0 HB2 ARG A 827 -5.655 3.715 -9.692 1.00 0.00 H new ATOM 0 HB3 ARG A 827 -4.577 2.851 -10.770 1.00 0.00 H new ATOM 0 HG2 ARG A 827 -5.979 0.835 -10.608 1.00 0.00 H new ATOM 0 HG3 ARG A 827 -7.027 1.629 -9.450 1.00 0.00 H new ATOM 0 HD2 ARG A 827 -8.071 1.750 -11.631 1.00 0.00 H new ATOM 0 HD3 ARG A 827 -7.577 3.365 -11.164 1.00 0.00 H new ATOM 0 HE ARG A 827 -5.412 2.375 -12.623 1.00 0.00 H new ATOM 0 HH11 ARG A 827 -8.865 2.892 -13.195 1.00 0.00 H new ATOM 0 HH12 ARG A 827 -8.652 3.149 -14.929 1.00 0.00 H new ATOM 0 HH21 ARG A 827 -5.152 2.709 -14.842 1.00 0.00 H new ATOM 0 HH22 ARG A 827 -6.557 3.046 -15.859 1.00 0.00 H new ATOM 1099 N ILE A 828 -2.971 4.127 -8.343 1.00 0.00 N ATOM 1100 CA ILE A 828 -1.693 4.827 -8.272 1.00 0.00 C ATOM 1101 C ILE A 828 -0.798 4.199 -7.203 1.00 0.00 C ATOM 1102 O ILE A 828 0.423 4.160 -7.344 1.00 0.00 O ATOM 1103 CB ILE A 828 -1.876 6.331 -7.970 1.00 0.00 C ATOM 1104 CG1 ILE A 828 -2.985 6.924 -8.844 1.00 0.00 C ATOM 1105 CG2 ILE A 828 -0.572 7.083 -8.195 1.00 0.00 C ATOM 1106 CD1 ILE A 828 -3.702 8.095 -8.205 1.00 0.00 C ATOM 0 H ILE A 828 -3.776 4.691 -8.071 1.00 0.00 H new ATOM 0 HA ILE A 828 -1.220 4.731 -9.249 1.00 0.00 H new ATOM 0 HB ILE A 828 -2.163 6.437 -6.924 1.00 0.00 H new ATOM 0 HG12 ILE A 828 -2.555 7.246 -9.792 1.00 0.00 H new ATOM 0 HG13 ILE A 828 -3.712 6.144 -9.072 1.00 0.00 H new ATOM 0 HG21 ILE A 828 -0.720 8.141 -7.977 1.00 0.00 H new ATOM 0 HG22 ILE A 828 0.198 6.681 -7.536 1.00 0.00 H new ATOM 0 HG23 ILE A 828 -0.259 6.966 -9.233 1.00 0.00 H new ATOM 0 HD11 ILE A 828 -4.473 8.463 -8.882 1.00 0.00 H new ATOM 0 HD12 ILE A 828 -4.162 7.774 -7.270 1.00 0.00 H new ATOM 0 HD13 ILE A 828 -2.987 8.893 -8.002 1.00 0.00 H new ATOM 1118 N LEU A 829 -1.423 3.704 -6.140 1.00 0.00 N ATOM 1119 CA LEU A 829 -0.709 3.004 -5.078 1.00 0.00 C ATOM 1120 C LEU A 829 -0.001 1.778 -5.636 1.00 0.00 C ATOM 1121 O LEU A 829 1.188 1.572 -5.397 1.00 0.00 O ATOM 1122 CB LEU A 829 -1.689 2.589 -3.972 1.00 0.00 C ATOM 1123 CG LEU A 829 -1.058 2.051 -2.683 1.00 0.00 C ATOM 1124 CD1 LEU A 829 0.204 2.822 -2.326 1.00 0.00 C ATOM 1125 CD2 LEU A 829 -2.061 2.120 -1.543 1.00 0.00 C ATOM 0 H LEU A 829 -2.429 3.775 -5.991 1.00 0.00 H new ATOM 0 HA LEU A 829 0.038 3.676 -4.656 1.00 0.00 H new ATOM 0 HB2 LEU A 829 -2.306 3.451 -3.719 1.00 0.00 H new ATOM 0 HB3 LEU A 829 -2.356 1.826 -4.373 1.00 0.00 H new ATOM 0 HG LEU A 829 -0.779 1.010 -2.849 1.00 0.00 H new ATOM 0 HD11 LEU A 829 0.629 2.418 -1.407 1.00 0.00 H new ATOM 0 HD12 LEU A 829 0.929 2.727 -3.134 1.00 0.00 H new ATOM 0 HD13 LEU A 829 -0.041 3.874 -2.180 1.00 0.00 H new ATOM 0 HD21 LEU A 829 -1.603 1.735 -0.632 1.00 0.00 H new ATOM 0 HD22 LEU A 829 -2.365 3.155 -1.388 1.00 0.00 H new ATOM 0 HD23 LEU A 829 -2.936 1.519 -1.791 1.00 0.00 H new ATOM 1137 N ALA A 830 -0.736 0.979 -6.403 1.00 0.00 N ATOM 1138 CA ALA A 830 -0.178 -0.218 -7.017 1.00 0.00 C ATOM 1139 C ALA A 830 0.971 0.142 -7.949 1.00 0.00 C ATOM 1140 O ALA A 830 1.980 -0.561 -8.011 1.00 0.00 O ATOM 1141 CB ALA A 830 -1.259 -0.981 -7.766 1.00 0.00 C ATOM 0 H ALA A 830 -1.721 1.140 -6.614 1.00 0.00 H new ATOM 0 HA ALA A 830 0.214 -0.860 -6.228 1.00 0.00 H new ATOM 0 HB1 ALA A 830 -0.827 -1.873 -8.220 1.00 0.00 H new ATOM 0 HB2 ALA A 830 -2.047 -1.272 -7.071 1.00 0.00 H new ATOM 0 HB3 ALA A 830 -1.680 -0.345 -8.545 1.00 0.00 H new ATOM 1147 N GLN A 831 0.812 1.251 -8.657 1.00 0.00 N ATOM 1148 CA GLN A 831 1.844 1.748 -9.555 1.00 0.00 C ATOM 1149 C GLN A 831 3.093 2.158 -8.774 1.00 0.00 C ATOM 1150 O GLN A 831 4.209 1.749 -9.097 1.00 0.00 O ATOM 1151 CB GLN A 831 1.303 2.942 -10.350 1.00 0.00 C ATOM 1152 CG GLN A 831 2.313 3.556 -11.305 1.00 0.00 C ATOM 1153 CD GLN A 831 2.621 2.651 -12.477 1.00 0.00 C ATOM 1154 OE1 GLN A 831 1.721 2.214 -13.193 1.00 0.00 O ATOM 1155 NE2 GLN A 831 3.893 2.361 -12.681 1.00 0.00 N ATOM 0 H GLN A 831 -0.029 1.827 -8.626 1.00 0.00 H new ATOM 0 HA GLN A 831 2.121 0.950 -10.244 1.00 0.00 H new ATOM 0 HB2 GLN A 831 0.429 2.622 -10.918 1.00 0.00 H new ATOM 0 HB3 GLN A 831 0.966 3.708 -9.652 1.00 0.00 H new ATOM 0 HG2 GLN A 831 1.929 4.507 -11.675 1.00 0.00 H new ATOM 0 HG3 GLN A 831 3.235 3.773 -10.765 1.00 0.00 H new ATOM 0 HE21 GLN A 831 4.609 2.744 -12.064 1.00 0.00 H new ATOM 0 HE22 GLN A 831 4.160 1.754 -13.456 1.00 0.00 H new ATOM 1164 N ALA A 832 2.885 2.947 -7.729 1.00 0.00 N ATOM 1165 CA ALA A 832 3.980 3.515 -6.957 1.00 0.00 C ATOM 1166 C ALA A 832 4.786 2.444 -6.231 1.00 0.00 C ATOM 1167 O ALA A 832 6.016 2.416 -6.322 1.00 0.00 O ATOM 1168 CB ALA A 832 3.446 4.537 -5.966 1.00 0.00 C ATOM 0 H ALA A 832 1.958 3.210 -7.394 1.00 0.00 H new ATOM 0 HA ALA A 832 4.654 4.008 -7.657 1.00 0.00 H new ATOM 0 HB1 ALA A 832 4.274 4.956 -5.394 1.00 0.00 H new ATOM 0 HB2 ALA A 832 2.937 5.336 -6.506 1.00 0.00 H new ATOM 0 HB3 ALA A 832 2.744 4.053 -5.287 1.00 0.00 H new ATOM 1174 N THR A 833 4.097 1.561 -5.516 1.00 0.00 N ATOM 1175 CA THR A 833 4.770 0.534 -4.732 1.00 0.00 C ATOM 1176 C THR A 833 5.528 -0.453 -5.617 1.00 0.00 C ATOM 1177 O THR A 833 6.570 -0.975 -5.217 1.00 0.00 O ATOM 1178 CB THR A 833 3.778 -0.234 -3.843 1.00 0.00 C ATOM 1179 OG1 THR A 833 2.847 0.679 -3.252 1.00 0.00 O ATOM 1180 CG2 THR A 833 4.514 -0.988 -2.748 1.00 0.00 C ATOM 0 H THR A 833 3.079 1.536 -5.464 1.00 0.00 H new ATOM 0 HA THR A 833 5.489 1.053 -4.097 1.00 0.00 H new ATOM 0 HB THR A 833 3.242 -0.951 -4.464 1.00 0.00 H new ATOM 0 HG1 THR A 833 2.149 0.902 -3.903 1.00 0.00 H new ATOM 0 HG21 THR A 833 3.795 -1.525 -2.130 1.00 0.00 H new ATOM 0 HG22 THR A 833 5.207 -1.698 -3.198 1.00 0.00 H new ATOM 0 HG23 THR A 833 5.068 -0.282 -2.130 1.00 0.00 H new ATOM 1188 N SER A 834 5.023 -0.693 -6.820 1.00 0.00 N ATOM 1189 CA SER A 834 5.674 -1.614 -7.742 1.00 0.00 C ATOM 1190 C SER A 834 7.078 -1.121 -8.087 1.00 0.00 C ATOM 1191 O SER A 834 8.027 -1.907 -8.137 1.00 0.00 O ATOM 1192 CB SER A 834 4.834 -1.785 -9.008 1.00 0.00 C ATOM 1193 OG SER A 834 3.644 -2.504 -8.727 1.00 0.00 O ATOM 0 H SER A 834 4.169 -0.265 -7.179 1.00 0.00 H new ATOM 0 HA SER A 834 5.763 -2.586 -7.257 1.00 0.00 H new ATOM 0 HB2 SER A 834 4.585 -0.807 -9.420 1.00 0.00 H new ATOM 0 HB3 SER A 834 5.413 -2.312 -9.766 1.00 0.00 H new ATOM 0 HG SER A 834 2.914 -1.873 -8.554 1.00 0.00 H new ATOM 1199 N ASP A 835 7.210 0.188 -8.293 1.00 0.00 N ATOM 1200 CA ASP A 835 8.509 0.790 -8.572 1.00 0.00 C ATOM 1201 C ASP A 835 9.373 0.792 -7.319 1.00 0.00 C ATOM 1202 O ASP A 835 10.572 0.513 -7.377 1.00 0.00 O ATOM 1203 CB ASP A 835 8.351 2.222 -9.086 1.00 0.00 C ATOM 1204 CG ASP A 835 9.642 2.772 -9.663 1.00 0.00 C ATOM 1205 OD1 ASP A 835 10.104 2.250 -10.699 1.00 0.00 O ATOM 1206 OD2 ASP A 835 10.203 3.729 -9.086 1.00 0.00 O ATOM 0 H ASP A 835 6.434 0.850 -8.272 1.00 0.00 H new ATOM 0 HA ASP A 835 8.994 0.193 -9.344 1.00 0.00 H new ATOM 0 HB2 ASP A 835 7.574 2.248 -9.850 1.00 0.00 H new ATOM 0 HB3 ASP A 835 8.018 2.864 -8.270 1.00 0.00 H new ATOM 1211 N LEU A 836 8.748 1.094 -6.184 1.00 0.00 N ATOM 1212 CA LEU A 836 9.448 1.130 -4.906 1.00 0.00 C ATOM 1213 C LEU A 836 10.073 -0.226 -4.596 1.00 0.00 C ATOM 1214 O LEU A 836 11.270 -0.320 -4.330 1.00 0.00 O ATOM 1215 CB LEU A 836 8.479 1.528 -3.784 1.00 0.00 C ATOM 1216 CG LEU A 836 9.023 1.389 -2.358 1.00 0.00 C ATOM 1217 CD1 LEU A 836 10.107 2.423 -2.097 1.00 0.00 C ATOM 1218 CD2 LEU A 836 7.899 1.530 -1.346 1.00 0.00 C ATOM 0 H LEU A 836 7.755 1.318 -6.125 1.00 0.00 H new ATOM 0 HA LEU A 836 10.244 1.872 -4.971 1.00 0.00 H new ATOM 0 HB2 LEU A 836 8.178 2.564 -3.939 1.00 0.00 H new ATOM 0 HB3 LEU A 836 7.580 0.918 -3.872 1.00 0.00 H new ATOM 0 HG LEU A 836 9.462 0.397 -2.252 1.00 0.00 H new ATOM 0 HD11 LEU A 836 10.481 2.309 -1.080 1.00 0.00 H new ATOM 0 HD12 LEU A 836 10.925 2.279 -2.803 1.00 0.00 H new ATOM 0 HD13 LEU A 836 9.693 3.424 -2.221 1.00 0.00 H new ATOM 0 HD21 LEU A 836 8.302 1.429 -0.338 1.00 0.00 H new ATOM 0 HD22 LEU A 836 7.433 2.509 -1.454 1.00 0.00 H new ATOM 0 HD23 LEU A 836 7.154 0.753 -1.519 1.00 0.00 H new ATOM 1230 N VAL A 837 9.264 -1.274 -4.675 1.00 0.00 N ATOM 1231 CA VAL A 837 9.720 -2.621 -4.361 1.00 0.00 C ATOM 1232 C VAL A 837 10.767 -3.082 -5.371 1.00 0.00 C ATOM 1233 O VAL A 837 11.729 -3.761 -5.014 1.00 0.00 O ATOM 1234 CB VAL A 837 8.537 -3.615 -4.320 1.00 0.00 C ATOM 1235 CG1 VAL A 837 9.021 -5.051 -4.174 1.00 0.00 C ATOM 1236 CG2 VAL A 837 7.589 -3.255 -3.185 1.00 0.00 C ATOM 0 H VAL A 837 8.285 -1.216 -4.955 1.00 0.00 H new ATOM 0 HA VAL A 837 10.176 -2.597 -3.371 1.00 0.00 H new ATOM 0 HB VAL A 837 8.002 -3.541 -5.267 1.00 0.00 H new ATOM 0 HG11 VAL A 837 8.163 -5.723 -4.149 1.00 0.00 H new ATOM 0 HG12 VAL A 837 9.658 -5.308 -5.020 1.00 0.00 H new ATOM 0 HG13 VAL A 837 9.588 -5.151 -3.249 1.00 0.00 H new ATOM 0 HG21 VAL A 837 6.760 -3.962 -3.166 1.00 0.00 H new ATOM 0 HG22 VAL A 837 8.124 -3.298 -2.236 1.00 0.00 H new ATOM 0 HG23 VAL A 837 7.203 -2.247 -3.339 1.00 0.00 H new ATOM 1246 N ASN A 838 10.590 -2.685 -6.627 1.00 0.00 N ATOM 1247 CA ASN A 838 11.539 -3.031 -7.683 1.00 0.00 C ATOM 1248 C ASN A 838 12.918 -2.455 -7.378 1.00 0.00 C ATOM 1249 O ASN A 838 13.935 -3.139 -7.524 1.00 0.00 O ATOM 1250 CB ASN A 838 11.051 -2.516 -9.038 1.00 0.00 C ATOM 1251 CG ASN A 838 12.004 -2.866 -10.166 1.00 0.00 C ATOM 1252 OD1 ASN A 838 12.225 -4.038 -10.463 1.00 0.00 O ATOM 1253 ND2 ASN A 838 12.575 -1.855 -10.800 1.00 0.00 N ATOM 0 H ASN A 838 9.798 -2.123 -6.940 1.00 0.00 H new ATOM 0 HA ASN A 838 11.613 -4.118 -7.725 1.00 0.00 H new ATOM 0 HB2 ASN A 838 10.069 -2.937 -9.252 1.00 0.00 H new ATOM 0 HB3 ASN A 838 10.930 -1.434 -8.990 1.00 0.00 H new ATOM 0 HD21 ASN A 838 13.225 -2.035 -11.565 1.00 0.00 H new ATOM 0 HD22 ASN A 838 12.365 -0.896 -10.523 1.00 0.00 H new ATOM 1260 N ALA A 839 12.941 -1.200 -6.943 1.00 0.00 N ATOM 1261 CA ALA A 839 14.185 -0.536 -6.576 1.00 0.00 C ATOM 1262 C ALA A 839 14.861 -1.265 -5.422 1.00 0.00 C ATOM 1263 O ALA A 839 16.059 -1.542 -5.468 1.00 0.00 O ATOM 1264 CB ALA A 839 13.919 0.914 -6.205 1.00 0.00 C ATOM 0 H ALA A 839 12.108 -0.621 -6.836 1.00 0.00 H new ATOM 0 HA ALA A 839 14.855 -0.558 -7.435 1.00 0.00 H new ATOM 0 HB1 ALA A 839 14.857 1.398 -5.933 1.00 0.00 H new ATOM 0 HB2 ALA A 839 13.477 1.432 -7.056 1.00 0.00 H new ATOM 0 HB3 ALA A 839 13.232 0.953 -5.360 1.00 0.00 H new ATOM 1270 N ILE A 840 14.079 -1.594 -4.400 1.00 0.00 N ATOM 1271 CA ILE A 840 14.590 -2.309 -3.236 1.00 0.00 C ATOM 1272 C ILE A 840 15.132 -3.679 -3.634 1.00 0.00 C ATOM 1273 O ILE A 840 16.186 -4.101 -3.158 1.00 0.00 O ATOM 1274 CB ILE A 840 13.498 -2.484 -2.159 1.00 0.00 C ATOM 1275 CG1 ILE A 840 13.002 -1.123 -1.681 1.00 0.00 C ATOM 1276 CG2 ILE A 840 14.022 -3.297 -0.983 1.00 0.00 C ATOM 1277 CD1 ILE A 840 11.527 -1.104 -1.351 1.00 0.00 C ATOM 0 H ILE A 840 13.084 -1.376 -4.354 1.00 0.00 H new ATOM 0 HA ILE A 840 15.399 -1.709 -2.820 1.00 0.00 H new ATOM 0 HB ILE A 840 12.664 -3.026 -2.605 1.00 0.00 H new ATOM 0 HG12 ILE A 840 13.568 -0.828 -0.798 1.00 0.00 H new ATOM 0 HG13 ILE A 840 13.204 -0.380 -2.452 1.00 0.00 H new ATOM 0 HG21 ILE A 840 13.235 -3.407 -0.237 1.00 0.00 H new ATOM 0 HG22 ILE A 840 14.332 -4.282 -1.331 1.00 0.00 H new ATOM 0 HG23 ILE A 840 14.875 -2.785 -0.538 1.00 0.00 H new ATOM 0 HD11 ILE A 840 11.242 -0.106 -1.018 1.00 0.00 H new ATOM 0 HD12 ILE A 840 10.952 -1.368 -2.239 1.00 0.00 H new ATOM 0 HD13 ILE A 840 11.322 -1.824 -0.558 1.00 0.00 H new ATOM 1289 N LYS A 841 14.410 -4.361 -4.517 1.00 0.00 N ATOM 1290 CA LYS A 841 14.816 -5.678 -4.992 1.00 0.00 C ATOM 1291 C LYS A 841 16.212 -5.628 -5.605 1.00 0.00 C ATOM 1292 O LYS A 841 17.083 -6.426 -5.253 1.00 0.00 O ATOM 1293 CB LYS A 841 13.815 -6.204 -6.023 1.00 0.00 C ATOM 1294 CG LYS A 841 12.624 -6.917 -5.404 1.00 0.00 C ATOM 1295 CD LYS A 841 12.781 -8.426 -5.479 1.00 0.00 C ATOM 1296 CE LYS A 841 11.609 -9.072 -6.194 1.00 0.00 C ATOM 1297 NZ LYS A 841 10.563 -9.527 -5.242 1.00 0.00 N ATOM 0 H LYS A 841 13.537 -4.021 -4.920 1.00 0.00 H new ATOM 0 HA LYS A 841 14.836 -6.354 -4.137 1.00 0.00 H new ATOM 0 HB2 LYS A 841 13.456 -5.371 -6.627 1.00 0.00 H new ATOM 0 HB3 LYS A 841 14.327 -6.889 -6.698 1.00 0.00 H new ATOM 0 HG2 LYS A 841 12.516 -6.612 -4.363 1.00 0.00 H new ATOM 0 HG3 LYS A 841 11.711 -6.619 -5.920 1.00 0.00 H new ATOM 0 HD2 LYS A 841 13.706 -8.671 -6.000 1.00 0.00 H new ATOM 0 HD3 LYS A 841 12.864 -8.835 -4.472 1.00 0.00 H new ATOM 0 HE2 LYS A 841 11.176 -8.361 -6.897 1.00 0.00 H new ATOM 0 HE3 LYS A 841 11.963 -9.922 -6.778 1.00 0.00 H new ATOM 0 HZ1 LYS A 841 9.780 -9.963 -5.769 1.00 0.00 H new ATOM 0 HZ2 LYS A 841 10.970 -10.225 -4.587 1.00 0.00 H new ATOM 0 HZ3 LYS A 841 10.207 -8.712 -4.703 1.00 0.00 H new ATOM 1508 N LEU A 856 15.582 -6.130 3.835 1.00 0.00 N ATOM 1509 CA LEU A 856 15.154 -5.206 2.801 1.00 0.00 C ATOM 1510 C LEU A 856 14.018 -5.778 1.974 1.00 0.00 C ATOM 1511 O LEU A 856 12.979 -5.142 1.786 1.00 0.00 O ATOM 1512 CB LEU A 856 16.346 -4.916 1.898 1.00 0.00 C ATOM 1513 CG LEU A 856 17.091 -3.624 2.236 1.00 0.00 C ATOM 1514 CD1 LEU A 856 18.509 -3.661 1.686 1.00 0.00 C ATOM 1515 CD2 LEU A 856 16.343 -2.408 1.708 1.00 0.00 C ATOM 0 HA LEU A 856 14.790 -4.293 3.273 1.00 0.00 H new ATOM 0 HB2 LEU A 856 17.044 -5.751 1.958 1.00 0.00 H new ATOM 0 HB3 LEU A 856 16.001 -4.863 0.866 1.00 0.00 H new ATOM 0 HG LEU A 856 17.145 -3.542 3.322 1.00 0.00 H new ATOM 0 HD11 LEU A 856 19.021 -2.732 1.938 1.00 0.00 H new ATOM 0 HD12 LEU A 856 19.047 -4.502 2.123 1.00 0.00 H new ATOM 0 HD13 LEU A 856 18.476 -3.775 0.602 1.00 0.00 H new ATOM 0 HD21 LEU A 856 16.895 -1.503 1.962 1.00 0.00 H new ATOM 0 HD22 LEU A 856 16.247 -2.482 0.625 1.00 0.00 H new ATOM 0 HD23 LEU A 856 15.351 -2.367 2.158 1.00 0.00 H new ATOM 1527 N LEU A 857 14.210 -6.995 1.514 1.00 0.00 N ATOM 1528 CA LEU A 857 13.266 -7.631 0.620 1.00 0.00 C ATOM 1529 C LEU A 857 12.021 -8.109 1.356 1.00 0.00 C ATOM 1530 O LEU A 857 10.950 -8.227 0.760 1.00 0.00 O ATOM 1531 CB LEU A 857 13.959 -8.768 -0.111 1.00 0.00 C ATOM 1532 CG LEU A 857 15.265 -8.354 -0.787 1.00 0.00 C ATOM 1533 CD1 LEU A 857 16.300 -9.463 -0.670 1.00 0.00 C ATOM 1534 CD2 LEU A 857 15.017 -8.010 -2.248 1.00 0.00 C ATOM 0 H LEU A 857 15.020 -7.569 1.747 1.00 0.00 H new ATOM 0 HA LEU A 857 12.923 -6.897 -0.110 1.00 0.00 H new ATOM 0 HB2 LEU A 857 14.164 -9.572 0.596 1.00 0.00 H new ATOM 0 HB3 LEU A 857 13.282 -9.171 -0.864 1.00 0.00 H new ATOM 0 HG LEU A 857 15.651 -7.468 -0.282 1.00 0.00 H new ATOM 0 HD11 LEU A 857 17.224 -9.151 -1.157 1.00 0.00 H new ATOM 0 HD12 LEU A 857 16.496 -9.668 0.382 1.00 0.00 H new ATOM 0 HD13 LEU A 857 15.923 -10.365 -1.152 1.00 0.00 H new ATOM 0 HD21 LEU A 857 15.956 -7.717 -2.717 1.00 0.00 H new ATOM 0 HD22 LEU A 857 14.610 -8.880 -2.763 1.00 0.00 H new ATOM 0 HD23 LEU A 857 14.307 -7.186 -2.312 1.00 0.00 H new ATOM 1546 N SER A 858 12.159 -8.375 2.649 1.00 0.00 N ATOM 1547 CA SER A 858 11.014 -8.746 3.468 1.00 0.00 C ATOM 1548 C SER A 858 10.123 -7.532 3.702 1.00 0.00 C ATOM 1549 O SER A 858 8.900 -7.629 3.638 1.00 0.00 O ATOM 1550 CB SER A 858 11.475 -9.339 4.798 1.00 0.00 C ATOM 1551 OG SER A 858 12.307 -10.472 4.584 1.00 0.00 O ATOM 0 H SER A 858 13.047 -8.341 3.150 1.00 0.00 H new ATOM 0 HA SER A 858 10.437 -9.505 2.939 1.00 0.00 H new ATOM 0 HB2 SER A 858 12.018 -8.586 5.368 1.00 0.00 H new ATOM 0 HB3 SER A 858 10.608 -9.626 5.393 1.00 0.00 H new ATOM 0 HG SER A 858 12.593 -10.836 5.448 1.00 0.00 H new ATOM 1557 N ALA A 859 10.744 -6.385 3.952 1.00 0.00 N ATOM 1558 CA ALA A 859 10.005 -5.141 4.112 1.00 0.00 C ATOM 1559 C ALA A 859 9.295 -4.780 2.812 1.00 0.00 C ATOM 1560 O ALA A 859 8.135 -4.366 2.817 1.00 0.00 O ATOM 1561 CB ALA A 859 10.938 -4.020 4.546 1.00 0.00 C ATOM 0 H ALA A 859 11.755 -6.292 4.048 1.00 0.00 H new ATOM 0 HA ALA A 859 9.253 -5.277 4.889 1.00 0.00 H new ATOM 0 HB1 ALA A 859 10.369 -3.097 4.661 1.00 0.00 H new ATOM 0 HB2 ALA A 859 11.402 -4.281 5.497 1.00 0.00 H new ATOM 0 HB3 ALA A 859 11.712 -3.878 3.791 1.00 0.00 H new ATOM 1567 N ALA A 860 9.998 -4.959 1.698 1.00 0.00 N ATOM 1568 CA ALA A 860 9.428 -4.719 0.379 1.00 0.00 C ATOM 1569 C ALA A 860 8.291 -5.698 0.089 1.00 0.00 C ATOM 1570 O ALA A 860 7.345 -5.372 -0.627 1.00 0.00 O ATOM 1571 CB ALA A 860 10.506 -4.822 -0.689 1.00 0.00 C ATOM 0 H ALA A 860 10.969 -5.271 1.684 1.00 0.00 H new ATOM 0 HA ALA A 860 9.016 -3.710 0.363 1.00 0.00 H new ATOM 0 HB1 ALA A 860 10.065 -4.640 -1.669 1.00 0.00 H new ATOM 0 HB2 ALA A 860 11.281 -4.080 -0.496 1.00 0.00 H new ATOM 0 HB3 ALA A 860 10.945 -5.819 -0.668 1.00 0.00 H new ATOM 1577 N LYS A 861 8.388 -6.896 0.656 1.00 0.00 N ATOM 1578 CA LYS A 861 7.341 -7.900 0.512 1.00 0.00 C ATOM 1579 C LYS A 861 6.048 -7.404 1.145 1.00 0.00 C ATOM 1580 O LYS A 861 4.973 -7.518 0.555 1.00 0.00 O ATOM 1581 CB LYS A 861 7.770 -9.217 1.160 1.00 0.00 C ATOM 1582 CG LYS A 861 7.345 -10.445 0.375 1.00 0.00 C ATOM 1583 CD LYS A 861 8.420 -11.518 0.396 1.00 0.00 C ATOM 1584 CE LYS A 861 9.628 -11.112 -0.434 1.00 0.00 C ATOM 1585 NZ LYS A 861 10.706 -12.133 -0.380 1.00 0.00 N ATOM 0 H LYS A 861 9.183 -7.195 1.221 1.00 0.00 H new ATOM 0 HA LYS A 861 7.172 -8.074 -0.551 1.00 0.00 H new ATOM 0 HB2 LYS A 861 8.855 -9.223 1.269 1.00 0.00 H new ATOM 0 HB3 LYS A 861 7.348 -9.273 2.164 1.00 0.00 H new ATOM 0 HG2 LYS A 861 6.422 -10.845 0.795 1.00 0.00 H new ATOM 0 HG3 LYS A 861 7.131 -10.163 -0.656 1.00 0.00 H new ATOM 0 HD2 LYS A 861 8.730 -11.704 1.424 1.00 0.00 H new ATOM 0 HD3 LYS A 861 8.011 -12.452 0.012 1.00 0.00 H new ATOM 0 HE2 LYS A 861 9.323 -10.961 -1.469 1.00 0.00 H new ATOM 0 HE3 LYS A 861 10.013 -10.158 -0.073 1.00 0.00 H new ATOM 0 HZ1 LYS A 861 11.511 -11.819 -0.958 1.00 0.00 H new ATOM 0 HZ2 LYS A 861 11.015 -12.259 0.605 1.00 0.00 H new ATOM 0 HZ3 LYS A 861 10.347 -13.037 -0.749 1.00 0.00 H new ATOM 1599 N ILE A 862 6.163 -6.842 2.345 1.00 0.00 N ATOM 1600 CA ILE A 862 5.013 -6.261 3.025 1.00 0.00 C ATOM 1601 C ILE A 862 4.471 -5.084 2.225 1.00 0.00 C ATOM 1602 O ILE A 862 3.262 -4.938 2.069 1.00 0.00 O ATOM 1603 CB ILE A 862 5.355 -5.783 4.455 1.00 0.00 C ATOM 1604 CG1 ILE A 862 6.287 -6.775 5.154 1.00 0.00 C ATOM 1605 CG2 ILE A 862 4.082 -5.595 5.269 1.00 0.00 C ATOM 1606 CD1 ILE A 862 7.103 -6.157 6.269 1.00 0.00 C ATOM 0 H ILE A 862 7.039 -6.777 2.864 1.00 0.00 H new ATOM 0 HA ILE A 862 4.261 -7.046 3.102 1.00 0.00 H new ATOM 0 HB ILE A 862 5.870 -4.825 4.379 1.00 0.00 H new ATOM 0 HG12 ILE A 862 5.693 -7.594 5.560 1.00 0.00 H new ATOM 0 HG13 ILE A 862 6.963 -7.207 4.416 1.00 0.00 H new ATOM 0 HG21 ILE A 862 4.339 -5.258 6.273 1.00 0.00 H new ATOM 0 HG22 ILE A 862 3.449 -4.850 4.787 1.00 0.00 H new ATOM 0 HG23 ILE A 862 3.546 -6.542 5.330 1.00 0.00 H new ATOM 0 HD11 ILE A 862 7.740 -6.919 6.719 1.00 0.00 H new ATOM 0 HD12 ILE A 862 7.723 -5.357 5.865 1.00 0.00 H new ATOM 0 HD13 ILE A 862 6.434 -5.750 7.027 1.00 0.00 H new ATOM 1618 N LEU A 863 5.384 -4.265 1.705 1.00 0.00 N ATOM 1619 CA LEU A 863 5.023 -3.119 0.874 1.00 0.00 C ATOM 1620 C LEU A 863 4.123 -3.547 -0.284 1.00 0.00 C ATOM 1621 O LEU A 863 3.009 -3.042 -0.442 1.00 0.00 O ATOM 1622 CB LEU A 863 6.286 -2.453 0.317 1.00 0.00 C ATOM 1623 CG LEU A 863 6.610 -1.062 0.869 1.00 0.00 C ATOM 1624 CD1 LEU A 863 5.340 -0.249 1.081 1.00 0.00 C ATOM 1625 CD2 LEU A 863 7.397 -1.180 2.164 1.00 0.00 C ATOM 0 H LEU A 863 6.388 -4.376 1.847 1.00 0.00 H new ATOM 0 HA LEU A 863 4.479 -2.409 1.497 1.00 0.00 H new ATOM 0 HB2 LEU A 863 7.135 -3.107 0.514 1.00 0.00 H new ATOM 0 HB3 LEU A 863 6.186 -2.378 -0.766 1.00 0.00 H new ATOM 0 HG LEU A 863 7.223 -0.537 0.137 1.00 0.00 H new ATOM 0 HD11 LEU A 863 5.599 0.734 1.474 1.00 0.00 H new ATOM 0 HD12 LEU A 863 4.818 -0.135 0.131 1.00 0.00 H new ATOM 0 HD13 LEU A 863 4.693 -0.764 1.791 1.00 0.00 H new ATOM 0 HD21 LEU A 863 7.621 -0.184 2.546 1.00 0.00 H new ATOM 0 HD22 LEU A 863 6.807 -1.727 2.900 1.00 0.00 H new ATOM 0 HD23 LEU A 863 8.328 -1.714 1.976 1.00 0.00 H new ATOM 1637 N ALA A 864 4.614 -4.488 -1.084 1.00 0.00 N ATOM 1638 CA ALA A 864 3.891 -4.954 -2.262 1.00 0.00 C ATOM 1639 C ALA A 864 2.589 -5.651 -1.881 1.00 0.00 C ATOM 1640 O ALA A 864 1.532 -5.362 -2.447 1.00 0.00 O ATOM 1641 CB ALA A 864 4.769 -5.889 -3.081 1.00 0.00 C ATOM 0 H ALA A 864 5.514 -4.945 -0.937 1.00 0.00 H new ATOM 0 HA ALA A 864 3.637 -4.082 -2.864 1.00 0.00 H new ATOM 0 HB1 ALA A 864 4.218 -6.230 -3.958 1.00 0.00 H new ATOM 0 HB2 ALA A 864 5.667 -5.359 -3.400 1.00 0.00 H new ATOM 0 HB3 ALA A 864 5.052 -6.748 -2.473 1.00 0.00 H new ATOM 1647 N ASP A 865 2.666 -6.553 -0.908 1.00 0.00 N ATOM 1648 CA ASP A 865 1.507 -7.342 -0.502 1.00 0.00 C ATOM 1649 C ASP A 865 0.408 -6.460 0.080 1.00 0.00 C ATOM 1650 O ASP A 865 -0.765 -6.610 -0.265 1.00 0.00 O ATOM 1651 CB ASP A 865 1.908 -8.407 0.518 1.00 0.00 C ATOM 1652 CG ASP A 865 0.724 -9.230 0.981 1.00 0.00 C ATOM 1653 OD1 ASP A 865 0.213 -10.049 0.187 1.00 0.00 O ATOM 1654 OD2 ASP A 865 0.301 -9.065 2.140 1.00 0.00 O ATOM 0 H ASP A 865 3.518 -6.756 -0.386 1.00 0.00 H new ATOM 0 HA ASP A 865 1.118 -7.831 -1.395 1.00 0.00 H new ATOM 0 HB2 ASP A 865 2.656 -9.066 0.078 1.00 0.00 H new ATOM 0 HB3 ASP A 865 2.373 -7.926 1.379 1.00 0.00 H new ATOM 1659 N ALA A 866 0.789 -5.534 0.954 1.00 0.00 N ATOM 1660 CA ALA A 866 -0.170 -4.617 1.555 1.00 0.00 C ATOM 1661 C ALA A 866 -0.822 -3.753 0.485 1.00 0.00 C ATOM 1662 O ALA A 866 -1.998 -3.417 0.580 1.00 0.00 O ATOM 1663 CB ALA A 866 0.499 -3.748 2.610 1.00 0.00 C ATOM 0 H ALA A 866 1.753 -5.400 1.261 1.00 0.00 H new ATOM 0 HA ALA A 866 -0.945 -5.207 2.044 1.00 0.00 H new ATOM 0 HB1 ALA A 866 -0.237 -3.072 3.044 1.00 0.00 H new ATOM 0 HB2 ALA A 866 0.916 -4.382 3.393 1.00 0.00 H new ATOM 0 HB3 ALA A 866 1.298 -3.167 2.150 1.00 0.00 H new ATOM 1669 N THR A 867 -0.057 -3.416 -0.546 1.00 0.00 N ATOM 1670 CA THR A 867 -0.573 -2.628 -1.655 1.00 0.00 C ATOM 1671 C THR A 867 -1.632 -3.410 -2.433 1.00 0.00 C ATOM 1672 O THR A 867 -2.682 -2.867 -2.779 1.00 0.00 O ATOM 1673 CB THR A 867 0.563 -2.193 -2.599 1.00 0.00 C ATOM 1674 OG1 THR A 867 1.489 -1.363 -1.885 1.00 0.00 O ATOM 1675 CG2 THR A 867 0.021 -1.435 -3.800 1.00 0.00 C ATOM 0 H THR A 867 0.925 -3.677 -0.636 1.00 0.00 H new ATOM 0 HA THR A 867 -1.037 -1.734 -1.238 1.00 0.00 H new ATOM 0 HB THR A 867 1.068 -3.089 -2.961 1.00 0.00 H new ATOM 0 HG1 THR A 867 1.895 -1.878 -1.156 1.00 0.00 H new ATOM 0 HG21 THR A 867 0.847 -1.141 -4.448 1.00 0.00 H new ATOM 0 HG22 THR A 867 -0.665 -2.075 -4.355 1.00 0.00 H new ATOM 0 HG23 THR A 867 -0.508 -0.545 -3.460 1.00 0.00 H new ATOM 1683 N ALA A 868 -1.365 -4.687 -2.691 1.00 0.00 N ATOM 1684 CA ALA A 868 -2.337 -5.539 -3.364 1.00 0.00 C ATOM 1685 C ALA A 868 -3.581 -5.701 -2.508 1.00 0.00 C ATOM 1686 O ALA A 868 -4.699 -5.687 -3.014 1.00 0.00 O ATOM 1687 CB ALA A 868 -1.749 -6.901 -3.679 1.00 0.00 C ATOM 0 H ALA A 868 -0.490 -5.151 -2.446 1.00 0.00 H new ATOM 0 HA ALA A 868 -2.608 -5.057 -4.303 1.00 0.00 H new ATOM 0 HB1 ALA A 868 -2.498 -7.514 -4.181 1.00 0.00 H new ATOM 0 HB2 ALA A 868 -0.883 -6.782 -4.330 1.00 0.00 H new ATOM 0 HB3 ALA A 868 -1.443 -7.388 -2.753 1.00 0.00 H new ATOM 1693 N LYS A 869 -3.376 -5.858 -1.205 1.00 0.00 N ATOM 1694 CA LYS A 869 -4.484 -5.957 -0.267 1.00 0.00 C ATOM 1695 C LYS A 869 -5.269 -4.654 -0.242 1.00 0.00 C ATOM 1696 O LYS A 869 -6.489 -4.657 -0.094 1.00 0.00 O ATOM 1697 CB LYS A 869 -3.973 -6.288 1.137 1.00 0.00 C ATOM 1698 CG LYS A 869 -4.148 -7.749 1.521 1.00 0.00 C ATOM 1699 CD LYS A 869 -3.218 -8.647 0.725 1.00 0.00 C ATOM 1700 CE LYS A 869 -2.921 -9.943 1.461 1.00 0.00 C ATOM 1701 NZ LYS A 869 -2.278 -10.943 0.570 1.00 0.00 N ATOM 0 H LYS A 869 -2.453 -5.919 -0.776 1.00 0.00 H new ATOM 0 HA LYS A 869 -5.142 -6.761 -0.596 1.00 0.00 H new ATOM 0 HB2 LYS A 869 -2.916 -6.029 1.200 1.00 0.00 H new ATOM 0 HB3 LYS A 869 -4.498 -5.665 1.862 1.00 0.00 H new ATOM 0 HG2 LYS A 869 -3.952 -7.873 2.586 1.00 0.00 H new ATOM 0 HG3 LYS A 869 -5.181 -8.050 1.350 1.00 0.00 H new ATOM 0 HD2 LYS A 869 -3.669 -8.873 -0.241 1.00 0.00 H new ATOM 0 HD3 LYS A 869 -2.285 -8.120 0.526 1.00 0.00 H new ATOM 0 HE2 LYS A 869 -2.269 -9.739 2.310 1.00 0.00 H new ATOM 0 HE3 LYS A 869 -3.847 -10.355 1.862 1.00 0.00 H new ATOM 0 HZ1 LYS A 869 -2.274 -11.872 1.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 869 -2.809 -11.006 -0.322 1.00 0.00 H new ATOM 0 HZ3 LYS A 869 -1.300 -10.652 0.370 1.00 0.00 H new ATOM 1715 N MET A 870 -4.556 -3.547 -0.396 1.00 0.00 N ATOM 1716 CA MET A 870 -5.171 -2.227 -0.443 1.00 0.00 C ATOM 1717 C MET A 870 -6.010 -2.069 -1.704 1.00 0.00 C ATOM 1718 O MET A 870 -7.166 -1.650 -1.640 1.00 0.00 O ATOM 1719 CB MET A 870 -4.097 -1.138 -0.386 1.00 0.00 C ATOM 1720 CG MET A 870 -4.341 -0.099 0.694 1.00 0.00 C ATOM 1721 SD MET A 870 -6.092 0.189 1.000 1.00 0.00 S ATOM 1722 CE MET A 870 -6.392 1.563 -0.103 1.00 0.00 C ATOM 0 H MET A 870 -3.541 -3.538 -0.491 1.00 0.00 H new ATOM 0 HA MET A 870 -5.825 -2.123 0.423 1.00 0.00 H new ATOM 0 HB2 MET A 870 -3.127 -1.605 -0.217 1.00 0.00 H new ATOM 0 HB3 MET A 870 -4.046 -0.639 -1.354 1.00 0.00 H new ATOM 0 HG2 MET A 870 -3.864 -0.423 1.619 1.00 0.00 H new ATOM 0 HG3 MET A 870 -3.868 0.839 0.403 1.00 0.00 H new ATOM 0 HE1 MET A 870 -7.390 1.474 -0.532 1.00 0.00 H new ATOM 0 HE2 MET A 870 -6.318 2.498 0.452 1.00 0.00 H new ATOM 0 HE3 MET A 870 -5.651 1.556 -0.903 1.00 0.00 H new ATOM 1732 N VAL A 871 -5.428 -2.416 -2.847 1.00 0.00 N ATOM 1733 CA VAL A 871 -6.139 -2.343 -4.118 1.00 0.00 C ATOM 1734 C VAL A 871 -7.347 -3.280 -4.103 1.00 0.00 C ATOM 1735 O VAL A 871 -8.423 -2.933 -4.588 1.00 0.00 O ATOM 1736 CB VAL A 871 -5.195 -2.659 -5.315 1.00 0.00 C ATOM 1737 CG1 VAL A 871 -5.480 -4.014 -5.953 1.00 0.00 C ATOM 1738 CG2 VAL A 871 -5.287 -1.560 -6.359 1.00 0.00 C ATOM 0 H VAL A 871 -4.467 -2.750 -2.919 1.00 0.00 H new ATOM 0 HA VAL A 871 -6.497 -1.322 -4.251 1.00 0.00 H new ATOM 0 HB VAL A 871 -4.182 -2.704 -4.915 1.00 0.00 H new ATOM 0 HG11 VAL A 871 -4.791 -4.178 -6.781 1.00 0.00 H new ATOM 0 HG12 VAL A 871 -5.349 -4.801 -5.210 1.00 0.00 H new ATOM 0 HG13 VAL A 871 -6.505 -4.033 -6.324 1.00 0.00 H new ATOM 0 HG21 VAL A 871 -4.622 -1.792 -7.191 1.00 0.00 H new ATOM 0 HG22 VAL A 871 -6.312 -1.488 -6.722 1.00 0.00 H new ATOM 0 HG23 VAL A 871 -4.993 -0.610 -5.914 1.00 0.00 H new ATOM 1748 N GLU A 872 -7.166 -4.452 -3.503 1.00 0.00 N ATOM 1749 CA GLU A 872 -8.227 -5.441 -3.406 1.00 0.00 C ATOM 1750 C GLU A 872 -9.332 -4.957 -2.471 1.00 0.00 C ATOM 1751 O GLU A 872 -10.517 -5.185 -2.719 1.00 0.00 O ATOM 1752 CB GLU A 872 -7.654 -6.775 -2.914 1.00 0.00 C ATOM 1753 CG GLU A 872 -8.166 -7.978 -3.689 1.00 0.00 C ATOM 1754 CD GLU A 872 -8.425 -7.661 -5.148 1.00 0.00 C ATOM 1755 OE1 GLU A 872 -7.462 -7.338 -5.872 1.00 0.00 O ATOM 1756 OE2 GLU A 872 -9.595 -7.732 -5.578 1.00 0.00 O ATOM 0 H GLU A 872 -6.286 -4.739 -3.074 1.00 0.00 H new ATOM 0 HA GLU A 872 -8.660 -5.586 -4.396 1.00 0.00 H new ATOM 0 HB2 GLU A 872 -6.567 -6.743 -2.986 1.00 0.00 H new ATOM 0 HB3 GLU A 872 -7.901 -6.900 -1.860 1.00 0.00 H new ATOM 0 HG2 GLU A 872 -7.439 -8.787 -3.620 1.00 0.00 H new ATOM 0 HG3 GLU A 872 -9.087 -8.337 -3.230 1.00 0.00 H new ATOM 1763 N ALA A 873 -8.938 -4.277 -1.403 1.00 0.00 N ATOM 1764 CA ALA A 873 -9.886 -3.746 -0.435 1.00 0.00 C ATOM 1765 C ALA A 873 -10.664 -2.574 -1.016 1.00 0.00 C ATOM 1766 O ALA A 873 -11.891 -2.552 -0.969 1.00 0.00 O ATOM 1767 CB ALA A 873 -9.165 -3.318 0.831 1.00 0.00 C ATOM 0 H ALA A 873 -7.961 -4.080 -1.185 1.00 0.00 H new ATOM 0 HA ALA A 873 -10.594 -4.537 -0.189 1.00 0.00 H new ATOM 0 HB1 ALA A 873 -9.887 -2.923 1.545 1.00 0.00 H new ATOM 0 HB2 ALA A 873 -8.655 -4.177 1.268 1.00 0.00 H new ATOM 0 HB3 ALA A 873 -8.434 -2.546 0.590 1.00 0.00 H new ATOM 1773 N ALA A 874 -9.940 -1.609 -1.572 1.00 0.00 N ATOM 1774 CA ALA A 874 -10.551 -0.403 -2.117 1.00 0.00 C ATOM 1775 C ALA A 874 -11.541 -0.733 -3.228 1.00 0.00 C ATOM 1776 O ALA A 874 -12.619 -0.152 -3.297 1.00 0.00 O ATOM 1777 CB ALA A 874 -9.479 0.547 -2.627 1.00 0.00 C ATOM 0 H ALA A 874 -8.924 -1.639 -1.657 1.00 0.00 H new ATOM 0 HA ALA A 874 -11.103 0.085 -1.314 1.00 0.00 H new ATOM 0 HB1 ALA A 874 -9.950 1.443 -3.031 1.00 0.00 H new ATOM 0 HB2 ALA A 874 -8.817 0.823 -1.806 1.00 0.00 H new ATOM 0 HB3 ALA A 874 -8.901 0.056 -3.410 1.00 0.00 H new ATOM 1783 N LYS A 875 -11.177 -1.679 -4.087 1.00 0.00 N ATOM 1784 CA LYS A 875 -12.040 -2.077 -5.192 1.00 0.00 C ATOM 1785 C LYS A 875 -13.221 -2.907 -4.694 1.00 0.00 C ATOM 1786 O LYS A 875 -14.277 -2.947 -5.328 1.00 0.00 O ATOM 1787 CB LYS A 875 -11.246 -2.872 -6.228 1.00 0.00 C ATOM 1788 CG LYS A 875 -10.479 -2.002 -7.209 1.00 0.00 C ATOM 1789 CD LYS A 875 -9.200 -2.683 -7.668 1.00 0.00 C ATOM 1790 CE LYS A 875 -9.380 -3.358 -9.018 1.00 0.00 C ATOM 1791 NZ LYS A 875 -9.576 -4.826 -8.888 1.00 0.00 N ATOM 0 H LYS A 875 -10.292 -2.183 -4.039 1.00 0.00 H new ATOM 0 HA LYS A 875 -12.428 -1.171 -5.658 1.00 0.00 H new ATOM 0 HB2 LYS A 875 -10.544 -3.526 -5.711 1.00 0.00 H new ATOM 0 HB3 LYS A 875 -11.930 -3.514 -6.783 1.00 0.00 H new ATOM 0 HG2 LYS A 875 -11.107 -1.783 -8.073 1.00 0.00 H new ATOM 0 HG3 LYS A 875 -10.238 -1.048 -6.741 1.00 0.00 H new ATOM 0 HD2 LYS A 875 -8.398 -1.947 -7.732 1.00 0.00 H new ATOM 0 HD3 LYS A 875 -8.895 -3.423 -6.928 1.00 0.00 H new ATOM 0 HE2 LYS A 875 -10.238 -2.922 -9.529 1.00 0.00 H new ATOM 0 HE3 LYS A 875 -8.506 -3.163 -9.640 1.00 0.00 H new ATOM 0 HZ1 LYS A 875 -9.695 -5.245 -9.832 1.00 0.00 H new ATOM 0 HZ2 LYS A 875 -8.746 -5.247 -8.424 1.00 0.00 H new ATOM 0 HZ3 LYS A 875 -10.425 -5.014 -8.317 1.00 0.00 H new ATOM 1805 N GLY A 876 -13.039 -3.566 -3.558 1.00 0.00 N ATOM 1806 CA GLY A 876 -14.095 -4.390 -2.999 1.00 0.00 C ATOM 1807 C GLY A 876 -15.021 -3.610 -2.089 1.00 0.00 C ATOM 1808 O GLY A 876 -16.100 -4.084 -1.729 1.00 0.00 O ATOM 0 H GLY A 876 -12.178 -3.545 -3.012 1.00 0.00 H new ATOM 0 HA2 GLY A 876 -14.675 -4.831 -3.810 1.00 0.00 H new ATOM 0 HA3 GLY A 876 -13.651 -5.214 -2.440 1.00 0.00 H new