USER MOD reduce.3.24.130724 H: found=0, std=0, add=582, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 585 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 833 THR OG1 : rot 179:sc= 0.537 USER MOD Set 1.2: A 867 THR OG1 : rot 69:sc= 0.674 USER MOD Set 2.1: A 811 ASN : amide:sc= 0.579 K(o=0.95,f=-2.2!) USER MOD Set 2.2: A 825 GLN : amide:sc= 0.371 K(o=0.95,f=-4.2) USER MOD Single : A 772 THR OG1 : rot 88:sc= 1.23 USER MOD Single : A 775 THR OG1 : rot 180:sc= 0.0972 USER MOD Single : A 776 GLN : amide:sc= -0.428 X(o=-0.43,f=-0.43) USER MOD Single : A 779 ASN : amide:sc= 1.04 K(o=1,f=0) USER MOD Single : A 802 THR OG1 : rot -120:sc= 0.00858 USER MOD Single : A 804 THR OG1 : rot 180:sc= 0 USER MOD Single : A 807 THR OG1 : rot 98:sc= 1.23 USER MOD Single : A 809 THR OG1 : rot 180:sc= 0.117 USER MOD Single : A 814 SER OG : rot 180:sc= 0.0603 USER MOD Single : A 815 SER OG : rot 75:sc= 1.16 USER MOD Single : A 816 MET CE :methyl -177:sc= -1.91 (180deg=-2.01) USER MOD Single : A 822 MET CE :methyl 162:sc= -0.81 (180deg=-1.41) USER MOD Single : A 831 GLN : amide:sc= -0.362 X(o=-0.36,f=-0.67) USER MOD Single : A 834 SER OG : rot 73:sc= 1.24 USER MOD Single : A 838 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 841 LYS NZ :NH3+ -160:sc= -0.0505 (180deg=-0.339) USER MOD Single : A 858 SER OG : rot 180:sc= 0 USER MOD Single : A 861 LYS NZ :NH3+ -110:sc= 0.374 (180deg=-0.463) USER MOD Single : A 869 LYS NZ :NH3+ -129:sc= 1.18 (180deg=-0.0834) USER MOD Single : A 870 MET CE :methyl 150:sc= -3.56 (180deg=-5.95!) USER MOD Single : A 875 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 220 N GLY A 766 -12.204 -2.851 6.082 1.00 0.00 N ATOM 221 CA GLY A 766 -11.445 -3.355 4.957 1.00 0.00 C ATOM 222 C GLY A 766 -10.392 -2.374 4.485 1.00 0.00 C ATOM 223 O GLY A 766 -9.195 -2.625 4.624 1.00 0.00 O ATOM 0 HA2 GLY A 766 -10.965 -4.293 5.237 1.00 0.00 H new ATOM 0 HA3 GLY A 766 -12.125 -3.578 4.134 1.00 0.00 H new ATOM 227 N VAL A 767 -10.838 -1.245 3.943 1.00 0.00 N ATOM 228 CA VAL A 767 -9.931 -0.271 3.343 1.00 0.00 C ATOM 229 C VAL A 767 -9.041 0.382 4.391 1.00 0.00 C ATOM 230 O VAL A 767 -7.837 0.505 4.193 1.00 0.00 O ATOM 231 CB VAL A 767 -10.685 0.833 2.580 1.00 0.00 C ATOM 232 CG1 VAL A 767 -9.780 1.477 1.544 1.00 0.00 C ATOM 233 CG2 VAL A 767 -11.942 0.278 1.931 1.00 0.00 C ATOM 0 H VAL A 767 -11.823 -0.981 3.907 1.00 0.00 H new ATOM 0 HA VAL A 767 -9.316 -0.830 2.638 1.00 0.00 H new ATOM 0 HB VAL A 767 -10.986 1.599 3.294 1.00 0.00 H new ATOM 0 HG11 VAL A 767 -10.330 2.255 1.014 1.00 0.00 H new ATOM 0 HG12 VAL A 767 -8.915 1.917 2.040 1.00 0.00 H new ATOM 0 HG13 VAL A 767 -9.445 0.721 0.833 1.00 0.00 H new ATOM 0 HG21 VAL A 767 -12.459 1.076 1.397 1.00 0.00 H new ATOM 0 HG22 VAL A 767 -11.671 -0.511 1.230 1.00 0.00 H new ATOM 0 HG23 VAL A 767 -12.599 -0.129 2.700 1.00 0.00 H new ATOM 243 N GLY A 768 -9.639 0.800 5.498 1.00 0.00 N ATOM 244 CA GLY A 768 -8.879 1.432 6.562 1.00 0.00 C ATOM 245 C GLY A 768 -7.737 0.562 7.052 1.00 0.00 C ATOM 246 O GLY A 768 -6.608 1.032 7.201 1.00 0.00 O ATOM 0 H GLY A 768 -10.639 0.713 5.680 1.00 0.00 H new ATOM 0 HA2 GLY A 768 -8.481 2.382 6.206 1.00 0.00 H new ATOM 0 HA3 GLY A 768 -9.544 1.657 7.396 1.00 0.00 H new ATOM 250 N ALA A 769 -8.029 -0.710 7.285 1.00 0.00 N ATOM 251 CA ALA A 769 -7.023 -1.660 7.743 1.00 0.00 C ATOM 252 C ALA A 769 -5.972 -1.919 6.667 1.00 0.00 C ATOM 253 O ALA A 769 -4.774 -1.947 6.950 1.00 0.00 O ATOM 254 CB ALA A 769 -7.684 -2.963 8.160 1.00 0.00 C ATOM 0 H ALA A 769 -8.959 -1.110 7.164 1.00 0.00 H new ATOM 0 HA ALA A 769 -6.517 -1.225 8.605 1.00 0.00 H new ATOM 0 HB1 ALA A 769 -6.922 -3.665 8.500 1.00 0.00 H new ATOM 0 HB2 ALA A 769 -8.388 -2.771 8.970 1.00 0.00 H new ATOM 0 HB3 ALA A 769 -8.216 -3.389 7.310 1.00 0.00 H new ATOM 260 N ALA A 770 -6.427 -2.103 5.431 1.00 0.00 N ATOM 261 CA ALA A 770 -5.527 -2.364 4.315 1.00 0.00 C ATOM 262 C ALA A 770 -4.614 -1.169 4.059 1.00 0.00 C ATOM 263 O ALA A 770 -3.412 -1.326 3.842 1.00 0.00 O ATOM 264 CB ALA A 770 -6.323 -2.704 3.064 1.00 0.00 C ATOM 0 H ALA A 770 -7.415 -2.076 5.178 1.00 0.00 H new ATOM 0 HA ALA A 770 -4.901 -3.218 4.574 1.00 0.00 H new ATOM 0 HB1 ALA A 770 -5.638 -2.897 2.238 1.00 0.00 H new ATOM 0 HB2 ALA A 770 -6.928 -3.592 3.248 1.00 0.00 H new ATOM 0 HB3 ALA A 770 -6.974 -1.868 2.808 1.00 0.00 H new ATOM 270 N ALA A 771 -5.193 0.026 4.096 1.00 0.00 N ATOM 271 CA ALA A 771 -4.439 1.254 3.894 1.00 0.00 C ATOM 272 C ALA A 771 -3.403 1.433 4.997 1.00 0.00 C ATOM 273 O ALA A 771 -2.251 1.767 4.728 1.00 0.00 O ATOM 274 CB ALA A 771 -5.376 2.450 3.842 1.00 0.00 C ATOM 0 H ALA A 771 -6.189 0.169 4.265 1.00 0.00 H new ATOM 0 HA ALA A 771 -3.916 1.185 2.940 1.00 0.00 H new ATOM 0 HB1 ALA A 771 -4.796 3.360 3.690 1.00 0.00 H new ATOM 0 HB2 ALA A 771 -6.079 2.326 3.018 1.00 0.00 H new ATOM 0 HB3 ALA A 771 -5.926 2.522 4.780 1.00 0.00 H new ATOM 280 N THR A 772 -3.821 1.180 6.237 1.00 0.00 N ATOM 281 CA THR A 772 -2.939 1.295 7.393 1.00 0.00 C ATOM 282 C THR A 772 -1.712 0.400 7.241 1.00 0.00 C ATOM 283 O THR A 772 -0.595 0.800 7.578 1.00 0.00 O ATOM 284 CB THR A 772 -3.687 0.936 8.696 1.00 0.00 C ATOM 285 OG1 THR A 772 -4.757 1.867 8.913 1.00 0.00 O ATOM 286 CG2 THR A 772 -2.752 0.952 9.899 1.00 0.00 C ATOM 0 H THR A 772 -4.773 0.892 6.465 1.00 0.00 H new ATOM 0 HA THR A 772 -2.610 2.333 7.449 1.00 0.00 H new ATOM 0 HB THR A 772 -4.085 -0.073 8.586 1.00 0.00 H new ATOM 0 HG1 THR A 772 -5.564 1.551 8.456 1.00 0.00 H new ATOM 0 HG21 THR A 772 -3.312 0.695 10.798 1.00 0.00 H new ATOM 0 HG22 THR A 772 -1.953 0.226 9.749 1.00 0.00 H new ATOM 0 HG23 THR A 772 -2.321 1.947 10.012 1.00 0.00 H new ATOM 294 N ALA A 773 -1.922 -0.802 6.712 1.00 0.00 N ATOM 295 CA ALA A 773 -0.830 -1.738 6.483 1.00 0.00 C ATOM 296 C ALA A 773 0.224 -1.126 5.567 1.00 0.00 C ATOM 297 O ALA A 773 1.424 -1.303 5.779 1.00 0.00 O ATOM 298 CB ALA A 773 -1.358 -3.037 5.893 1.00 0.00 C ATOM 0 H ALA A 773 -2.840 -1.149 6.434 1.00 0.00 H new ATOM 0 HA ALA A 773 -0.362 -1.958 7.443 1.00 0.00 H new ATOM 0 HB1 ALA A 773 -0.529 -3.725 5.728 1.00 0.00 H new ATOM 0 HB2 ALA A 773 -2.071 -3.487 6.584 1.00 0.00 H new ATOM 0 HB3 ALA A 773 -1.853 -2.831 4.944 1.00 0.00 H new ATOM 304 N VAL A 774 -0.234 -0.385 4.563 1.00 0.00 N ATOM 305 CA VAL A 774 0.665 0.280 3.626 1.00 0.00 C ATOM 306 C VAL A 774 1.401 1.432 4.305 1.00 0.00 C ATOM 307 O VAL A 774 2.621 1.540 4.194 1.00 0.00 O ATOM 308 CB VAL A 774 -0.089 0.812 2.389 1.00 0.00 C ATOM 309 CG1 VAL A 774 0.879 1.423 1.387 1.00 0.00 C ATOM 310 CG2 VAL A 774 -0.894 -0.299 1.737 1.00 0.00 C ATOM 0 H VAL A 774 -1.225 -0.230 4.377 1.00 0.00 H new ATOM 0 HA VAL A 774 1.387 -0.466 3.295 1.00 0.00 H new ATOM 0 HB VAL A 774 -0.776 1.591 2.720 1.00 0.00 H new ATOM 0 HG11 VAL A 774 0.325 1.791 0.524 1.00 0.00 H new ATOM 0 HG12 VAL A 774 1.413 2.250 1.855 1.00 0.00 H new ATOM 0 HG13 VAL A 774 1.594 0.666 1.064 1.00 0.00 H new ATOM 0 HG21 VAL A 774 -1.419 0.095 0.867 1.00 0.00 H new ATOM 0 HG22 VAL A 774 -0.223 -1.099 1.425 1.00 0.00 H new ATOM 0 HG23 VAL A 774 -1.618 -0.691 2.451 1.00 0.00 H new ATOM 320 N THR A 775 0.658 2.285 5.009 1.00 0.00 N ATOM 321 CA THR A 775 1.252 3.405 5.735 1.00 0.00 C ATOM 322 C THR A 775 2.328 2.921 6.706 1.00 0.00 C ATOM 323 O THR A 775 3.384 3.544 6.848 1.00 0.00 O ATOM 324 CB THR A 775 0.185 4.187 6.522 1.00 0.00 C ATOM 325 OG1 THR A 775 -1.096 4.023 5.905 1.00 0.00 O ATOM 326 CG2 THR A 775 0.536 5.666 6.589 1.00 0.00 C ATOM 0 H THR A 775 -0.357 2.221 5.092 1.00 0.00 H new ATOM 0 HA THR A 775 1.704 4.063 4.992 1.00 0.00 H new ATOM 0 HB THR A 775 0.152 3.792 7.537 1.00 0.00 H new ATOM 0 HG1 THR A 775 -1.770 4.522 6.412 1.00 0.00 H new ATOM 0 HG21 THR A 775 -0.233 6.197 7.150 1.00 0.00 H new ATOM 0 HG22 THR A 775 1.498 5.789 7.086 1.00 0.00 H new ATOM 0 HG23 THR A 775 0.594 6.072 5.579 1.00 0.00 H new ATOM 334 N GLN A 776 2.054 1.801 7.362 1.00 0.00 N ATOM 335 CA GLN A 776 2.999 1.215 8.295 1.00 0.00 C ATOM 336 C GLN A 776 4.201 0.644 7.557 1.00 0.00 C ATOM 337 O GLN A 776 5.341 0.974 7.877 1.00 0.00 O ATOM 338 CB GLN A 776 2.322 0.124 9.125 1.00 0.00 C ATOM 339 CG GLN A 776 1.595 0.659 10.345 1.00 0.00 C ATOM 340 CD GLN A 776 2.492 1.486 11.244 1.00 0.00 C ATOM 341 OE1 GLN A 776 3.406 0.963 11.882 1.00 0.00 O ATOM 342 NE2 GLN A 776 2.236 2.783 11.304 1.00 0.00 N ATOM 0 H GLN A 776 1.182 1.281 7.263 1.00 0.00 H new ATOM 0 HA GLN A 776 3.347 2.000 8.966 1.00 0.00 H new ATOM 0 HB2 GLN A 776 1.613 -0.414 8.496 1.00 0.00 H new ATOM 0 HB3 GLN A 776 3.074 -0.597 9.446 1.00 0.00 H new ATOM 0 HG2 GLN A 776 0.751 1.268 10.022 1.00 0.00 H new ATOM 0 HG3 GLN A 776 1.187 -0.176 10.915 1.00 0.00 H new ATOM 0 HE21 GLN A 776 1.469 3.177 10.759 1.00 0.00 H new ATOM 0 HE22 GLN A 776 2.806 3.388 11.895 1.00 0.00 H new ATOM 351 N ALA A 777 3.940 -0.191 6.552 1.00 0.00 N ATOM 352 CA ALA A 777 5.005 -0.829 5.782 1.00 0.00 C ATOM 353 C ALA A 777 5.929 0.209 5.154 1.00 0.00 C ATOM 354 O ALA A 777 7.150 0.051 5.163 1.00 0.00 O ATOM 355 CB ALA A 777 4.416 -1.734 4.707 1.00 0.00 C ATOM 0 H ALA A 777 2.998 -0.441 6.252 1.00 0.00 H new ATOM 0 HA ALA A 777 5.596 -1.436 6.467 1.00 0.00 H new ATOM 0 HB1 ALA A 777 5.223 -2.201 4.143 1.00 0.00 H new ATOM 0 HB2 ALA A 777 3.806 -2.506 5.176 1.00 0.00 H new ATOM 0 HB3 ALA A 777 3.797 -1.142 4.033 1.00 0.00 H new ATOM 361 N LEU A 778 5.335 1.273 4.624 1.00 0.00 N ATOM 362 CA LEU A 778 6.096 2.358 4.019 1.00 0.00 C ATOM 363 C LEU A 778 7.055 2.972 5.027 1.00 0.00 C ATOM 364 O LEU A 778 8.237 3.153 4.741 1.00 0.00 O ATOM 365 CB LEU A 778 5.152 3.439 3.491 1.00 0.00 C ATOM 366 CG LEU A 778 5.824 4.524 2.652 1.00 0.00 C ATOM 367 CD1 LEU A 778 5.512 4.314 1.184 1.00 0.00 C ATOM 368 CD2 LEU A 778 5.383 5.908 3.107 1.00 0.00 C ATOM 0 H LEU A 778 4.324 1.406 4.602 1.00 0.00 H new ATOM 0 HA LEU A 778 6.671 1.944 3.191 1.00 0.00 H new ATOM 0 HB2 LEU A 778 4.377 2.963 2.890 1.00 0.00 H new ATOM 0 HB3 LEU A 778 4.654 3.911 4.338 1.00 0.00 H new ATOM 0 HG LEU A 778 6.903 4.455 2.791 1.00 0.00 H new ATOM 0 HD11 LEU A 778 5.996 5.093 0.594 1.00 0.00 H new ATOM 0 HD12 LEU A 778 5.882 3.338 0.869 1.00 0.00 H new ATOM 0 HD13 LEU A 778 4.434 4.360 1.031 1.00 0.00 H new ATOM 0 HD21 LEU A 778 5.874 6.665 2.496 1.00 0.00 H new ATOM 0 HD22 LEU A 778 4.302 5.999 2.999 1.00 0.00 H new ATOM 0 HD23 LEU A 778 5.657 6.052 4.152 1.00 0.00 H new ATOM 380 N ASN A 779 6.539 3.274 6.210 1.00 0.00 N ATOM 381 CA ASN A 779 7.339 3.895 7.257 1.00 0.00 C ATOM 382 C ASN A 779 8.407 2.931 7.757 1.00 0.00 C ATOM 383 O ASN A 779 9.541 3.336 8.018 1.00 0.00 O ATOM 384 CB ASN A 779 6.450 4.346 8.418 1.00 0.00 C ATOM 385 CG ASN A 779 5.928 5.760 8.235 1.00 0.00 C ATOM 386 OD1 ASN A 779 6.637 6.737 8.483 1.00 0.00 O ATOM 387 ND2 ASN A 779 4.682 5.877 7.798 1.00 0.00 N ATOM 0 H ASN A 779 5.568 3.099 6.469 1.00 0.00 H new ATOM 0 HA ASN A 779 7.831 4.771 6.835 1.00 0.00 H new ATOM 0 HB2 ASN A 779 5.608 3.661 8.514 1.00 0.00 H new ATOM 0 HB3 ASN A 779 7.015 4.288 9.348 1.00 0.00 H new ATOM 0 HD21 ASN A 779 4.276 6.802 7.655 1.00 0.00 H new ATOM 0 HD22 ASN A 779 4.129 5.042 7.605 1.00 0.00 H new ATOM 394 N GLU A 780 8.040 1.657 7.875 1.00 0.00 N ATOM 395 CA GLU A 780 8.970 0.615 8.302 1.00 0.00 C ATOM 396 C GLU A 780 10.160 0.550 7.358 1.00 0.00 C ATOM 397 O GLU A 780 11.314 0.634 7.778 1.00 0.00 O ATOM 398 CB GLU A 780 8.269 -0.746 8.328 1.00 0.00 C ATOM 399 CG GLU A 780 7.254 -0.893 9.451 1.00 0.00 C ATOM 400 CD GLU A 780 7.722 -1.836 10.539 1.00 0.00 C ATOM 401 OE1 GLU A 780 8.678 -1.490 11.259 1.00 0.00 O ATOM 402 OE2 GLU A 780 7.123 -2.926 10.689 1.00 0.00 O ATOM 0 H GLU A 780 7.097 1.320 7.679 1.00 0.00 H new ATOM 0 HA GLU A 780 9.319 0.859 9.305 1.00 0.00 H new ATOM 0 HB2 GLU A 780 7.766 -0.903 7.374 1.00 0.00 H new ATOM 0 HB3 GLU A 780 9.021 -1.529 8.425 1.00 0.00 H new ATOM 0 HG2 GLU A 780 7.054 0.086 9.886 1.00 0.00 H new ATOM 0 HG3 GLU A 780 6.313 -1.257 9.040 1.00 0.00 H new ATOM 409 N LEU A 781 9.859 0.422 6.075 1.00 0.00 N ATOM 410 CA LEU A 781 10.884 0.315 5.053 1.00 0.00 C ATOM 411 C LEU A 781 11.688 1.604 4.947 1.00 0.00 C ATOM 412 O LEU A 781 12.908 1.565 4.820 1.00 0.00 O ATOM 413 CB LEU A 781 10.247 -0.013 3.705 1.00 0.00 C ATOM 414 CG LEU A 781 11.224 -0.159 2.543 1.00 0.00 C ATOM 415 CD1 LEU A 781 11.276 -1.603 2.073 1.00 0.00 C ATOM 416 CD2 LEU A 781 10.833 0.770 1.405 1.00 0.00 C ATOM 0 H LEU A 781 8.905 0.390 5.717 1.00 0.00 H new ATOM 0 HA LEU A 781 11.563 -0.489 5.336 1.00 0.00 H new ATOM 0 HB2 LEU A 781 9.684 -0.941 3.804 1.00 0.00 H new ATOM 0 HB3 LEU A 781 9.530 0.771 3.460 1.00 0.00 H new ATOM 0 HG LEU A 781 12.220 0.122 2.885 1.00 0.00 H new ATOM 0 HD11 LEU A 781 11.978 -1.691 1.243 1.00 0.00 H new ATOM 0 HD12 LEU A 781 11.603 -2.241 2.894 1.00 0.00 H new ATOM 0 HD13 LEU A 781 10.285 -1.915 1.744 1.00 0.00 H new ATOM 0 HD21 LEU A 781 11.539 0.655 0.583 1.00 0.00 H new ATOM 0 HD22 LEU A 781 9.830 0.520 1.060 1.00 0.00 H new ATOM 0 HD23 LEU A 781 10.849 1.802 1.756 1.00 0.00 H new ATOM 428 N LEU A 782 11.002 2.739 5.020 1.00 0.00 N ATOM 429 CA LEU A 782 11.646 4.040 4.865 1.00 0.00 C ATOM 430 C LEU A 782 12.794 4.226 5.850 1.00 0.00 C ATOM 431 O LEU A 782 13.922 4.508 5.446 1.00 0.00 O ATOM 432 CB LEU A 782 10.629 5.167 5.036 1.00 0.00 C ATOM 433 CG LEU A 782 10.344 5.967 3.766 1.00 0.00 C ATOM 434 CD1 LEU A 782 9.269 7.013 4.021 1.00 0.00 C ATOM 435 CD2 LEU A 782 11.622 6.618 3.251 1.00 0.00 C ATOM 0 H LEU A 782 9.997 2.785 5.186 1.00 0.00 H new ATOM 0 HA LEU A 782 12.058 4.077 3.857 1.00 0.00 H new ATOM 0 HB2 LEU A 782 9.693 4.742 5.399 1.00 0.00 H new ATOM 0 HB3 LEU A 782 10.989 5.849 5.806 1.00 0.00 H new ATOM 0 HG LEU A 782 9.975 5.283 3.001 1.00 0.00 H new ATOM 0 HD11 LEU A 782 9.081 7.572 3.104 1.00 0.00 H new ATOM 0 HD12 LEU A 782 8.351 6.521 4.341 1.00 0.00 H new ATOM 0 HD13 LEU A 782 9.604 7.697 4.801 1.00 0.00 H new ATOM 0 HD21 LEU A 782 11.403 7.184 2.346 1.00 0.00 H new ATOM 0 HD22 LEU A 782 12.020 7.290 4.012 1.00 0.00 H new ATOM 0 HD23 LEU A 782 12.358 5.846 3.027 1.00 0.00 H new ATOM 701 N ALA A 801 9.682 8.052 -4.006 1.00 0.00 N ATOM 702 CA ALA A 801 8.804 6.914 -4.232 1.00 0.00 C ATOM 703 C ALA A 801 7.889 6.697 -3.034 1.00 0.00 C ATOM 704 O ALA A 801 6.674 6.563 -3.185 1.00 0.00 O ATOM 705 CB ALA A 801 9.618 5.660 -4.516 1.00 0.00 C ATOM 0 HA ALA A 801 8.184 7.127 -5.103 1.00 0.00 H new ATOM 0 HB1 ALA A 801 8.945 4.819 -4.682 1.00 0.00 H new ATOM 0 HB2 ALA A 801 10.230 5.817 -5.405 1.00 0.00 H new ATOM 0 HB3 ALA A 801 10.264 5.445 -3.665 1.00 0.00 H new ATOM 711 N THR A 802 8.475 6.697 -1.845 1.00 0.00 N ATOM 712 CA THR A 802 7.722 6.473 -0.624 1.00 0.00 C ATOM 713 C THR A 802 6.768 7.634 -0.349 1.00 0.00 C ATOM 714 O THR A 802 5.623 7.431 0.066 1.00 0.00 O ATOM 715 CB THR A 802 8.672 6.286 0.571 1.00 0.00 C ATOM 716 OG1 THR A 802 9.829 7.113 0.404 1.00 0.00 O ATOM 717 CG2 THR A 802 9.104 4.831 0.689 1.00 0.00 C ATOM 0 H THR A 802 9.473 6.850 -1.702 1.00 0.00 H new ATOM 0 HA THR A 802 7.135 5.564 -0.757 1.00 0.00 H new ATOM 0 HB THR A 802 8.144 6.572 1.480 1.00 0.00 H new ATOM 0 HG1 THR A 802 10.632 6.552 0.382 1.00 0.00 H new ATOM 0 HG21 THR A 802 9.776 4.719 1.540 1.00 0.00 H new ATOM 0 HG22 THR A 802 8.226 4.201 0.834 1.00 0.00 H new ATOM 0 HG23 THR A 802 9.620 4.530 -0.223 1.00 0.00 H new ATOM 725 N ASP A 803 7.244 8.849 -0.603 1.00 0.00 N ATOM 726 CA ASP A 803 6.438 10.054 -0.424 1.00 0.00 C ATOM 727 C ASP A 803 5.194 10.009 -1.305 1.00 0.00 C ATOM 728 O ASP A 803 4.092 10.336 -0.865 1.00 0.00 O ATOM 729 CB ASP A 803 7.269 11.294 -0.760 1.00 0.00 C ATOM 730 CG ASP A 803 6.619 12.585 -0.303 1.00 0.00 C ATOM 731 OD1 ASP A 803 5.999 12.597 0.778 1.00 0.00 O ATOM 732 OD2 ASP A 803 6.742 13.601 -1.023 1.00 0.00 O ATOM 0 H ASP A 803 8.192 9.027 -0.936 1.00 0.00 H new ATOM 0 HA ASP A 803 6.122 10.104 0.618 1.00 0.00 H new ATOM 0 HB2 ASP A 803 8.251 11.204 -0.295 1.00 0.00 H new ATOM 0 HB3 ASP A 803 7.429 11.336 -1.837 1.00 0.00 H new ATOM 737 N THR A 804 5.379 9.585 -2.548 1.00 0.00 N ATOM 738 CA THR A 804 4.277 9.483 -3.496 1.00 0.00 C ATOM 739 C THR A 804 3.237 8.461 -3.029 1.00 0.00 C ATOM 740 O THR A 804 2.031 8.701 -3.130 1.00 0.00 O ATOM 741 CB THR A 804 4.797 9.105 -4.897 1.00 0.00 C ATOM 742 OG1 THR A 804 5.800 10.048 -5.307 1.00 0.00 O ATOM 743 CG2 THR A 804 3.666 9.087 -5.917 1.00 0.00 C ATOM 0 H THR A 804 6.285 9.305 -2.924 1.00 0.00 H new ATOM 0 HA THR A 804 3.797 10.460 -3.550 1.00 0.00 H new ATOM 0 HB THR A 804 5.226 8.104 -4.845 1.00 0.00 H new ATOM 0 HG1 THR A 804 6.132 9.807 -6.197 1.00 0.00 H new ATOM 0 HG21 THR A 804 4.063 8.817 -6.896 1.00 0.00 H new ATOM 0 HG22 THR A 804 2.916 8.356 -5.616 1.00 0.00 H new ATOM 0 HG23 THR A 804 3.209 10.075 -5.971 1.00 0.00 H new ATOM 751 N ILE A 805 3.710 7.339 -2.499 1.00 0.00 N ATOM 752 CA ILE A 805 2.826 6.279 -2.024 1.00 0.00 C ATOM 753 C ILE A 805 1.973 6.752 -0.853 1.00 0.00 C ATOM 754 O ILE A 805 0.748 6.725 -0.930 1.00 0.00 O ATOM 755 CB ILE A 805 3.621 5.035 -1.590 1.00 0.00 C ATOM 756 CG1 ILE A 805 4.279 4.379 -2.798 1.00 0.00 C ATOM 757 CG2 ILE A 805 2.724 4.036 -0.872 1.00 0.00 C ATOM 758 CD1 ILE A 805 5.426 3.480 -2.423 1.00 0.00 C ATOM 0 H ILE A 805 4.704 7.139 -2.387 1.00 0.00 H new ATOM 0 HA ILE A 805 2.178 6.016 -2.860 1.00 0.00 H new ATOM 0 HB ILE A 805 4.397 5.355 -0.895 1.00 0.00 H new ATOM 0 HG12 ILE A 805 3.533 3.800 -3.342 1.00 0.00 H new ATOM 0 HG13 ILE A 805 4.638 5.154 -3.476 1.00 0.00 H new ATOM 0 HG21 ILE A 805 3.311 3.167 -0.576 1.00 0.00 H new ATOM 0 HG22 ILE A 805 2.296 4.503 0.015 1.00 0.00 H new ATOM 0 HG23 ILE A 805 1.922 3.722 -1.540 1.00 0.00 H new ATOM 0 HD11 ILE A 805 5.854 3.042 -3.324 1.00 0.00 H new ATOM 0 HD12 ILE A 805 6.189 4.061 -1.904 1.00 0.00 H new ATOM 0 HD13 ILE A 805 5.067 2.686 -1.769 1.00 0.00 H new ATOM 770 N LEU A 806 2.633 7.187 0.221 1.00 0.00 N ATOM 771 CA LEU A 806 1.942 7.625 1.439 1.00 0.00 C ATOM 772 C LEU A 806 0.844 8.640 1.124 1.00 0.00 C ATOM 773 O LEU A 806 -0.271 8.533 1.635 1.00 0.00 O ATOM 774 CB LEU A 806 2.944 8.229 2.433 1.00 0.00 C ATOM 775 CG LEU A 806 2.650 7.976 3.921 1.00 0.00 C ATOM 776 CD1 LEU A 806 3.775 8.527 4.785 1.00 0.00 C ATOM 777 CD2 LEU A 806 1.326 8.599 4.337 1.00 0.00 C ATOM 0 H LEU A 806 3.650 7.246 0.274 1.00 0.00 H new ATOM 0 HA LEU A 806 1.474 6.749 1.888 1.00 0.00 H new ATOM 0 HB2 LEU A 806 3.934 7.834 2.206 1.00 0.00 H new ATOM 0 HB3 LEU A 806 2.985 9.306 2.269 1.00 0.00 H new ATOM 0 HG LEU A 806 2.581 6.898 4.067 1.00 0.00 H new ATOM 0 HD11 LEU A 806 3.552 8.340 5.835 1.00 0.00 H new ATOM 0 HD12 LEU A 806 4.711 8.036 4.520 1.00 0.00 H new ATOM 0 HD13 LEU A 806 3.869 9.600 4.619 1.00 0.00 H new ATOM 0 HD21 LEU A 806 1.148 8.402 5.394 1.00 0.00 H new ATOM 0 HD22 LEU A 806 1.362 9.675 4.169 1.00 0.00 H new ATOM 0 HD23 LEU A 806 0.519 8.166 3.746 1.00 0.00 H new ATOM 789 N THR A 807 1.158 9.615 0.278 1.00 0.00 N ATOM 790 CA THR A 807 0.184 10.627 -0.111 1.00 0.00 C ATOM 791 C THR A 807 -1.050 9.983 -0.742 1.00 0.00 C ATOM 792 O THR A 807 -2.175 10.406 -0.495 1.00 0.00 O ATOM 793 CB THR A 807 0.793 11.647 -1.094 1.00 0.00 C ATOM 794 OG1 THR A 807 2.096 12.040 -0.640 1.00 0.00 O ATOM 795 CG2 THR A 807 -0.092 12.878 -1.221 1.00 0.00 C ATOM 0 H THR A 807 2.077 9.726 -0.150 1.00 0.00 H new ATOM 0 HA THR A 807 -0.112 11.153 0.796 1.00 0.00 H new ATOM 0 HB THR A 807 0.870 11.173 -2.073 1.00 0.00 H new ATOM 0 HG1 THR A 807 2.778 11.524 -1.118 1.00 0.00 H new ATOM 0 HG21 THR A 807 0.361 13.581 -1.920 1.00 0.00 H new ATOM 0 HG22 THR A 807 -1.075 12.583 -1.588 1.00 0.00 H new ATOM 0 HG23 THR A 807 -0.197 13.353 -0.246 1.00 0.00 H new ATOM 803 N VAL A 808 -0.828 8.935 -1.524 1.00 0.00 N ATOM 804 CA VAL A 808 -1.915 8.222 -2.179 1.00 0.00 C ATOM 805 C VAL A 808 -2.764 7.473 -1.151 1.00 0.00 C ATOM 806 O VAL A 808 -3.992 7.585 -1.150 1.00 0.00 O ATOM 807 CB VAL A 808 -1.374 7.228 -3.235 1.00 0.00 C ATOM 808 CG1 VAL A 808 -2.376 6.120 -3.516 1.00 0.00 C ATOM 809 CG2 VAL A 808 -1.017 7.956 -4.521 1.00 0.00 C ATOM 0 H VAL A 808 0.100 8.559 -1.720 1.00 0.00 H new ATOM 0 HA VAL A 808 -2.537 8.960 -2.685 1.00 0.00 H new ATOM 0 HB VAL A 808 -0.472 6.771 -2.829 1.00 0.00 H new ATOM 0 HG11 VAL A 808 -1.966 5.439 -4.262 1.00 0.00 H new ATOM 0 HG12 VAL A 808 -2.579 5.571 -2.596 1.00 0.00 H new ATOM 0 HG13 VAL A 808 -3.303 6.554 -3.892 1.00 0.00 H new ATOM 0 HG21 VAL A 808 -0.639 7.241 -5.251 1.00 0.00 H new ATOM 0 HG22 VAL A 808 -1.905 8.446 -4.920 1.00 0.00 H new ATOM 0 HG23 VAL A 808 -0.251 8.704 -4.315 1.00 0.00 H new ATOM 819 N THR A 809 -2.109 6.723 -0.268 1.00 0.00 N ATOM 820 CA THR A 809 -2.811 5.963 0.758 1.00 0.00 C ATOM 821 C THR A 809 -3.617 6.888 1.663 1.00 0.00 C ATOM 822 O THR A 809 -4.772 6.607 1.991 1.00 0.00 O ATOM 823 CB THR A 809 -1.826 5.143 1.611 1.00 0.00 C ATOM 824 OG1 THR A 809 -0.567 5.040 0.932 1.00 0.00 O ATOM 825 CG2 THR A 809 -2.376 3.753 1.883 1.00 0.00 C ATOM 0 H THR A 809 -1.094 6.627 -0.244 1.00 0.00 H new ATOM 0 HA THR A 809 -3.491 5.280 0.249 1.00 0.00 H new ATOM 0 HB THR A 809 -1.687 5.653 2.564 1.00 0.00 H new ATOM 0 HG1 THR A 809 0.058 4.519 1.479 1.00 0.00 H new ATOM 0 HG21 THR A 809 -1.663 3.192 2.487 1.00 0.00 H new ATOM 0 HG22 THR A 809 -3.322 3.834 2.419 1.00 0.00 H new ATOM 0 HG23 THR A 809 -2.538 3.235 0.938 1.00 0.00 H new ATOM 833 N GLU A 810 -3.008 8.003 2.039 1.00 0.00 N ATOM 834 CA GLU A 810 -3.657 8.980 2.894 1.00 0.00 C ATOM 835 C GLU A 810 -4.822 9.650 2.167 1.00 0.00 C ATOM 836 O GLU A 810 -5.820 10.015 2.785 1.00 0.00 O ATOM 837 CB GLU A 810 -2.638 10.017 3.374 1.00 0.00 C ATOM 838 CG GLU A 810 -2.666 10.237 4.879 1.00 0.00 C ATOM 839 CD GLU A 810 -3.880 11.017 5.339 1.00 0.00 C ATOM 840 OE1 GLU A 810 -4.005 12.204 4.974 1.00 0.00 O ATOM 841 OE2 GLU A 810 -4.715 10.453 6.080 1.00 0.00 O ATOM 0 H GLU A 810 -2.059 8.253 1.762 1.00 0.00 H new ATOM 0 HA GLU A 810 -4.063 8.467 3.765 1.00 0.00 H new ATOM 0 HB2 GLU A 810 -1.638 9.697 3.079 1.00 0.00 H new ATOM 0 HB3 GLU A 810 -2.831 10.965 2.872 1.00 0.00 H new ATOM 0 HG2 GLU A 810 -2.649 9.270 5.383 1.00 0.00 H new ATOM 0 HG3 GLU A 810 -1.763 10.769 5.180 1.00 0.00 H new ATOM 848 N ASN A 811 -4.702 9.782 0.848 1.00 0.00 N ATOM 849 CA ASN A 811 -5.779 10.339 0.027 1.00 0.00 C ATOM 850 C ASN A 811 -7.001 9.431 0.071 1.00 0.00 C ATOM 851 O ASN A 811 -8.142 9.899 0.094 1.00 0.00 O ATOM 852 CB ASN A 811 -5.334 10.501 -1.427 1.00 0.00 C ATOM 853 CG ASN A 811 -4.587 11.793 -1.683 1.00 0.00 C ATOM 854 OD1 ASN A 811 -4.629 12.729 -0.882 1.00 0.00 O ATOM 855 ND2 ASN A 811 -3.892 11.851 -2.808 1.00 0.00 N ATOM 0 H ASN A 811 -3.870 9.511 0.323 1.00 0.00 H new ATOM 0 HA ASN A 811 -6.031 11.318 0.433 1.00 0.00 H new ATOM 0 HB2 ASN A 811 -4.697 9.660 -1.701 1.00 0.00 H new ATOM 0 HB3 ASN A 811 -6.210 10.461 -2.075 1.00 0.00 H new ATOM 0 HD21 ASN A 811 -3.365 12.693 -3.039 1.00 0.00 H new ATOM 0 HD22 ASN A 811 -3.884 11.054 -3.444 1.00 0.00 H new ATOM 862 N ILE A 812 -6.753 8.126 0.076 1.00 0.00 N ATOM 863 CA ILE A 812 -7.823 7.143 0.160 1.00 0.00 C ATOM 864 C ILE A 812 -8.530 7.254 1.508 1.00 0.00 C ATOM 865 O ILE A 812 -9.742 7.068 1.599 1.00 0.00 O ATOM 866 CB ILE A 812 -7.289 5.703 -0.049 1.00 0.00 C ATOM 867 CG1 ILE A 812 -6.930 5.480 -1.520 1.00 0.00 C ATOM 868 CG2 ILE A 812 -8.312 4.668 0.401 1.00 0.00 C ATOM 869 CD1 ILE A 812 -5.566 4.857 -1.729 1.00 0.00 C ATOM 0 H ILE A 812 -5.817 7.725 0.023 1.00 0.00 H new ATOM 0 HA ILE A 812 -8.535 7.352 -0.638 1.00 0.00 H new ATOM 0 HB ILE A 812 -6.393 5.584 0.560 1.00 0.00 H new ATOM 0 HG12 ILE A 812 -7.685 4.839 -1.975 1.00 0.00 H new ATOM 0 HG13 ILE A 812 -6.966 6.436 -2.042 1.00 0.00 H new ATOM 0 HG21 ILE A 812 -7.911 3.667 0.243 1.00 0.00 H new ATOM 0 HG22 ILE A 812 -8.530 4.808 1.460 1.00 0.00 H new ATOM 0 HG23 ILE A 812 -9.228 4.787 -0.177 1.00 0.00 H new ATOM 0 HD11 ILE A 812 -5.384 4.730 -2.796 1.00 0.00 H new ATOM 0 HD12 ILE A 812 -4.800 5.506 -1.305 1.00 0.00 H new ATOM 0 HD13 ILE A 812 -5.531 3.885 -1.237 1.00 0.00 H new ATOM 881 N PHE A 813 -7.766 7.579 2.545 1.00 0.00 N ATOM 882 CA PHE A 813 -8.328 7.793 3.873 1.00 0.00 C ATOM 883 C PHE A 813 -9.302 8.966 3.853 1.00 0.00 C ATOM 884 O PHE A 813 -10.387 8.897 4.429 1.00 0.00 O ATOM 885 CB PHE A 813 -7.215 8.061 4.890 1.00 0.00 C ATOM 886 CG PHE A 813 -6.635 6.816 5.496 1.00 0.00 C ATOM 887 CD1 PHE A 813 -7.378 6.043 6.374 1.00 0.00 C ATOM 888 CD2 PHE A 813 -5.344 6.420 5.188 1.00 0.00 C ATOM 889 CE1 PHE A 813 -6.843 4.897 6.931 1.00 0.00 C ATOM 890 CE2 PHE A 813 -4.805 5.276 5.741 1.00 0.00 C ATOM 891 CZ PHE A 813 -5.555 4.514 6.614 1.00 0.00 C ATOM 0 H PHE A 813 -6.755 7.700 2.491 1.00 0.00 H new ATOM 0 HA PHE A 813 -8.864 6.891 4.167 1.00 0.00 H new ATOM 0 HB2 PHE A 813 -6.418 8.622 4.403 1.00 0.00 H new ATOM 0 HB3 PHE A 813 -7.608 8.693 5.687 1.00 0.00 H new ATOM 0 HD1 PHE A 813 -8.386 6.339 6.626 1.00 0.00 H new ATOM 0 HD2 PHE A 813 -4.752 7.013 4.507 1.00 0.00 H new ATOM 0 HE1 PHE A 813 -7.432 4.302 7.613 1.00 0.00 H new ATOM 0 HE2 PHE A 813 -3.798 4.977 5.491 1.00 0.00 H new ATOM 0 HZ PHE A 813 -5.135 3.619 7.049 1.00 0.00 H new ATOM 901 N SER A 814 -8.911 10.037 3.172 1.00 0.00 N ATOM 902 CA SER A 814 -9.748 11.222 3.059 1.00 0.00 C ATOM 903 C SER A 814 -10.983 10.941 2.207 1.00 0.00 C ATOM 904 O SER A 814 -12.065 11.459 2.472 1.00 0.00 O ATOM 905 CB SER A 814 -8.943 12.371 2.450 1.00 0.00 C ATOM 906 OG SER A 814 -7.553 12.185 2.663 1.00 0.00 O ATOM 0 H SER A 814 -8.016 10.107 2.689 1.00 0.00 H new ATOM 0 HA SER A 814 -10.081 11.503 4.058 1.00 0.00 H new ATOM 0 HB2 SER A 814 -9.146 12.435 1.381 1.00 0.00 H new ATOM 0 HB3 SER A 814 -9.259 13.316 2.892 1.00 0.00 H new ATOM 0 HG SER A 814 -7.058 12.931 2.264 1.00 0.00 H new ATOM 912 N SER A 815 -10.820 10.097 1.199 1.00 0.00 N ATOM 913 CA SER A 815 -11.898 9.798 0.267 1.00 0.00 C ATOM 914 C SER A 815 -12.541 8.448 0.573 1.00 0.00 C ATOM 915 O SER A 815 -13.068 7.782 -0.321 1.00 0.00 O ATOM 916 CB SER A 815 -11.351 9.814 -1.159 1.00 0.00 C ATOM 917 OG SER A 815 -10.354 10.813 -1.298 1.00 0.00 O ATOM 0 H SER A 815 -9.948 9.605 1.005 1.00 0.00 H new ATOM 0 HA SER A 815 -12.670 10.560 0.373 1.00 0.00 H new ATOM 0 HB2 SER A 815 -10.933 8.838 -1.405 1.00 0.00 H new ATOM 0 HB3 SER A 815 -12.162 10.000 -1.864 1.00 0.00 H new ATOM 0 HG SER A 815 -9.530 10.516 -0.859 1.00 0.00 H new ATOM 923 N MET A 816 -12.498 8.054 1.840 1.00 0.00 N ATOM 924 CA MET A 816 -13.057 6.781 2.270 1.00 0.00 C ATOM 925 C MET A 816 -14.578 6.795 2.165 1.00 0.00 C ATOM 926 O MET A 816 -15.273 7.285 3.058 1.00 0.00 O ATOM 927 CB MET A 816 -12.630 6.473 3.706 1.00 0.00 C ATOM 928 CG MET A 816 -12.169 5.044 3.909 1.00 0.00 C ATOM 929 SD MET A 816 -10.851 4.906 5.131 1.00 0.00 S ATOM 930 CE MET A 816 -9.515 4.294 4.108 1.00 0.00 C ATOM 0 H MET A 816 -12.079 8.603 2.591 1.00 0.00 H new ATOM 0 HA MET A 816 -12.675 6.000 1.613 1.00 0.00 H new ATOM 0 HB2 MET A 816 -11.824 7.150 3.989 1.00 0.00 H new ATOM 0 HB3 MET A 816 -13.466 6.675 4.376 1.00 0.00 H new ATOM 0 HG2 MET A 816 -13.016 4.434 4.224 1.00 0.00 H new ATOM 0 HG3 MET A 816 -11.821 4.640 2.958 1.00 0.00 H new ATOM 0 HE1 MET A 816 -8.639 4.105 4.728 1.00 0.00 H new ATOM 0 HE2 MET A 816 -9.823 3.368 3.623 1.00 0.00 H new ATOM 0 HE3 MET A 816 -9.269 5.036 3.349 1.00 0.00 H new ATOM 940 N GLY A 817 -15.087 6.261 1.068 1.00 0.00 N ATOM 941 CA GLY A 817 -16.518 6.226 0.856 1.00 0.00 C ATOM 942 C GLY A 817 -16.916 6.760 -0.504 1.00 0.00 C ATOM 943 O GLY A 817 -18.073 6.641 -0.906 1.00 0.00 O ATOM 0 H GLY A 817 -14.533 5.849 0.317 1.00 0.00 H new ATOM 0 HA2 GLY A 817 -16.872 5.200 0.958 1.00 0.00 H new ATOM 0 HA3 GLY A 817 -17.011 6.812 1.631 1.00 0.00 H new ATOM 947 N ASP A 818 -15.961 7.352 -1.216 1.00 0.00 N ATOM 948 CA ASP A 818 -16.232 7.882 -2.552 1.00 0.00 C ATOM 949 C ASP A 818 -16.176 6.778 -3.591 1.00 0.00 C ATOM 950 O ASP A 818 -16.745 6.895 -4.676 1.00 0.00 O ATOM 951 CB ASP A 818 -15.243 8.994 -2.913 1.00 0.00 C ATOM 952 CG ASP A 818 -15.596 9.680 -4.223 1.00 0.00 C ATOM 953 OD1 ASP A 818 -16.496 10.551 -4.222 1.00 0.00 O ATOM 954 OD2 ASP A 818 -14.973 9.354 -5.257 1.00 0.00 O ATOM 0 H ASP A 818 -15.001 7.477 -0.896 1.00 0.00 H new ATOM 0 HA ASP A 818 -17.237 8.303 -2.544 1.00 0.00 H new ATOM 0 HB2 ASP A 818 -15.224 9.733 -2.112 1.00 0.00 H new ATOM 0 HB3 ASP A 818 -14.239 8.575 -2.984 1.00 0.00 H new ATOM 959 N ALA A 819 -15.493 5.705 -3.225 1.00 0.00 N ATOM 960 CA ALA A 819 -15.315 4.527 -4.078 1.00 0.00 C ATOM 961 C ALA A 819 -14.435 4.827 -5.294 1.00 0.00 C ATOM 962 O ALA A 819 -13.326 4.305 -5.406 1.00 0.00 O ATOM 963 CB ALA A 819 -16.662 3.963 -4.514 1.00 0.00 C ATOM 0 H ALA A 819 -15.038 5.621 -2.316 1.00 0.00 H new ATOM 0 HA ALA A 819 -14.800 3.774 -3.482 1.00 0.00 H new ATOM 0 HB1 ALA A 819 -16.503 3.089 -5.146 1.00 0.00 H new ATOM 0 HB2 ALA A 819 -17.238 3.675 -3.634 1.00 0.00 H new ATOM 0 HB3 ALA A 819 -17.210 4.721 -5.074 1.00 0.00 H new ATOM 969 N GLY A 820 -14.926 5.683 -6.184 1.00 0.00 N ATOM 970 CA GLY A 820 -14.222 5.975 -7.420 1.00 0.00 C ATOM 971 C GLY A 820 -12.849 6.571 -7.188 1.00 0.00 C ATOM 972 O GLY A 820 -11.853 6.077 -7.725 1.00 0.00 O ATOM 0 H GLY A 820 -15.807 6.184 -6.070 1.00 0.00 H new ATOM 0 HA2 GLY A 820 -14.121 5.058 -8.001 1.00 0.00 H new ATOM 0 HA3 GLY A 820 -14.817 6.666 -8.017 1.00 0.00 H new ATOM 976 N GLU A 821 -12.786 7.627 -6.380 1.00 0.00 N ATOM 977 CA GLU A 821 -11.512 8.265 -6.058 1.00 0.00 C ATOM 978 C GLU A 821 -10.581 7.284 -5.353 1.00 0.00 C ATOM 979 O GLU A 821 -9.361 7.338 -5.519 1.00 0.00 O ATOM 980 CB GLU A 821 -11.733 9.498 -5.181 1.00 0.00 C ATOM 981 CG GLU A 821 -10.788 10.646 -5.498 1.00 0.00 C ATOM 982 CD GLU A 821 -11.389 11.999 -5.180 1.00 0.00 C ATOM 983 OE1 GLU A 821 -12.216 12.492 -5.974 1.00 0.00 O ATOM 984 OE2 GLU A 821 -11.036 12.580 -4.134 1.00 0.00 O ATOM 0 H GLU A 821 -13.598 8.057 -5.938 1.00 0.00 H new ATOM 0 HA GLU A 821 -11.046 8.579 -6.992 1.00 0.00 H new ATOM 0 HB2 GLU A 821 -12.761 9.840 -5.302 1.00 0.00 H new ATOM 0 HB3 GLU A 821 -11.612 9.216 -4.135 1.00 0.00 H new ATOM 0 HG2 GLU A 821 -9.866 10.520 -4.931 1.00 0.00 H new ATOM 0 HG3 GLU A 821 -10.520 10.610 -6.554 1.00 0.00 H new ATOM 991 N MET A 822 -11.169 6.376 -4.583 1.00 0.00 N ATOM 992 CA MET A 822 -10.402 5.375 -3.854 1.00 0.00 C ATOM 993 C MET A 822 -9.686 4.443 -4.821 1.00 0.00 C ATOM 994 O MET A 822 -8.480 4.236 -4.717 1.00 0.00 O ATOM 995 CB MET A 822 -11.313 4.556 -2.943 1.00 0.00 C ATOM 996 CG MET A 822 -11.689 5.259 -1.652 1.00 0.00 C ATOM 997 SD MET A 822 -13.162 4.547 -0.892 1.00 0.00 S ATOM 998 CE MET A 822 -12.704 2.815 -0.843 1.00 0.00 C ATOM 0 H MET A 822 -12.178 6.313 -4.448 1.00 0.00 H new ATOM 0 HA MET A 822 -9.664 5.897 -3.245 1.00 0.00 H new ATOM 0 HB2 MET A 822 -12.224 4.306 -3.487 1.00 0.00 H new ATOM 0 HB3 MET A 822 -10.818 3.616 -2.702 1.00 0.00 H new ATOM 0 HG2 MET A 822 -10.856 5.199 -0.952 1.00 0.00 H new ATOM 0 HG3 MET A 822 -11.861 6.316 -1.853 1.00 0.00 H new ATOM 0 HE1 MET A 822 -13.342 2.290 -0.132 1.00 0.00 H new ATOM 0 HE2 MET A 822 -12.829 2.378 -1.834 1.00 0.00 H new ATOM 0 HE3 MET A 822 -11.663 2.723 -0.534 1.00 0.00 H new ATOM 1008 N VAL A 823 -10.442 3.893 -5.768 1.00 0.00 N ATOM 1009 CA VAL A 823 -9.885 2.981 -6.761 1.00 0.00 C ATOM 1010 C VAL A 823 -8.863 3.697 -7.638 1.00 0.00 C ATOM 1011 O VAL A 823 -7.830 3.127 -7.992 1.00 0.00 O ATOM 1012 CB VAL A 823 -10.988 2.367 -7.654 1.00 0.00 C ATOM 1013 CG1 VAL A 823 -10.391 1.384 -8.650 1.00 0.00 C ATOM 1014 CG2 VAL A 823 -12.046 1.682 -6.802 1.00 0.00 C ATOM 0 H VAL A 823 -11.443 4.064 -5.868 1.00 0.00 H new ATOM 0 HA VAL A 823 -9.394 2.175 -6.216 1.00 0.00 H new ATOM 0 HB VAL A 823 -11.462 3.175 -8.212 1.00 0.00 H new ATOM 0 HG11 VAL A 823 -11.185 0.964 -9.268 1.00 0.00 H new ATOM 0 HG12 VAL A 823 -9.672 1.901 -9.285 1.00 0.00 H new ATOM 0 HG13 VAL A 823 -9.888 0.581 -8.112 1.00 0.00 H new ATOM 0 HG21 VAL A 823 -12.814 1.256 -7.448 1.00 0.00 H new ATOM 0 HG22 VAL A 823 -11.583 0.888 -6.216 1.00 0.00 H new ATOM 0 HG23 VAL A 823 -12.500 2.411 -6.131 1.00 0.00 H new ATOM 1024 N ARG A 824 -9.151 4.952 -7.974 1.00 0.00 N ATOM 1025 CA ARG A 824 -8.237 5.756 -8.776 1.00 0.00 C ATOM 1026 C ARG A 824 -6.874 5.853 -8.103 1.00 0.00 C ATOM 1027 O ARG A 824 -5.853 5.518 -8.701 1.00 0.00 O ATOM 1028 CB ARG A 824 -8.807 7.158 -9.006 1.00 0.00 C ATOM 1029 CG ARG A 824 -8.147 7.898 -10.160 1.00 0.00 C ATOM 1030 CD ARG A 824 -8.116 7.045 -11.419 1.00 0.00 C ATOM 1031 NE ARG A 824 -7.275 7.626 -12.463 1.00 0.00 N ATOM 1032 CZ ARG A 824 -7.719 7.982 -13.668 1.00 0.00 C ATOM 1033 NH1 ARG A 824 -9.005 7.853 -13.971 1.00 0.00 N ATOM 1034 NH2 ARG A 824 -6.875 8.477 -14.567 1.00 0.00 N ATOM 0 H ARG A 824 -10.009 5.432 -7.703 1.00 0.00 H new ATOM 0 HA ARG A 824 -8.117 5.265 -9.742 1.00 0.00 H new ATOM 0 HB2 ARG A 824 -9.877 7.080 -9.199 1.00 0.00 H new ATOM 0 HB3 ARG A 824 -8.690 7.744 -8.094 1.00 0.00 H new ATOM 0 HG2 ARG A 824 -8.688 8.823 -10.358 1.00 0.00 H new ATOM 0 HG3 ARG A 824 -7.131 8.177 -9.882 1.00 0.00 H new ATOM 0 HD2 ARG A 824 -7.748 6.049 -11.171 1.00 0.00 H new ATOM 0 HD3 ARG A 824 -9.131 6.924 -11.798 1.00 0.00 H new ATOM 0 HE ARG A 824 -6.286 7.768 -12.257 1.00 0.00 H new ATOM 0 HH11 ARG A 824 -9.657 7.480 -13.281 1.00 0.00 H new ATOM 0 HH12 ARG A 824 -9.341 8.127 -14.894 1.00 0.00 H new ATOM 0 HH21 ARG A 824 -5.888 8.584 -14.335 1.00 0.00 H new ATOM 0 HH22 ARG A 824 -7.214 8.750 -15.489 1.00 0.00 H new ATOM 1048 N GLN A 825 -6.867 6.293 -6.851 1.00 0.00 N ATOM 1049 CA GLN A 825 -5.628 6.414 -6.099 1.00 0.00 C ATOM 1050 C GLN A 825 -4.998 5.044 -5.872 1.00 0.00 C ATOM 1051 O GLN A 825 -3.783 4.896 -5.952 1.00 0.00 O ATOM 1052 CB GLN A 825 -5.883 7.112 -4.765 1.00 0.00 C ATOM 1053 CG GLN A 825 -6.365 8.545 -4.917 1.00 0.00 C ATOM 1054 CD GLN A 825 -5.223 9.539 -5.033 1.00 0.00 C ATOM 1055 OE1 GLN A 825 -4.197 9.409 -4.366 1.00 0.00 O ATOM 1056 NE2 GLN A 825 -5.395 10.542 -5.878 1.00 0.00 N ATOM 0 H GLN A 825 -7.703 6.571 -6.338 1.00 0.00 H new ATOM 0 HA GLN A 825 -4.931 7.017 -6.681 1.00 0.00 H new ATOM 0 HB2 GLN A 825 -6.624 6.545 -4.202 1.00 0.00 H new ATOM 0 HB3 GLN A 825 -4.964 7.106 -4.178 1.00 0.00 H new ATOM 0 HG2 GLN A 825 -6.997 8.619 -5.802 1.00 0.00 H new ATOM 0 HG3 GLN A 825 -6.985 8.808 -4.060 1.00 0.00 H new ATOM 0 HE21 GLN A 825 -6.260 10.615 -6.413 1.00 0.00 H new ATOM 0 HE22 GLN A 825 -4.662 11.242 -5.994 1.00 0.00 H new ATOM 1065 N ALA A 826 -5.832 4.040 -5.618 1.00 0.00 N ATOM 1066 CA ALA A 826 -5.350 2.680 -5.388 1.00 0.00 C ATOM 1067 C ALA A 826 -4.600 2.145 -6.609 1.00 0.00 C ATOM 1068 O ALA A 826 -3.632 1.395 -6.475 1.00 0.00 O ATOM 1069 CB ALA A 826 -6.509 1.761 -5.028 1.00 0.00 C ATOM 0 H ALA A 826 -6.846 4.142 -5.566 1.00 0.00 H new ATOM 0 HA ALA A 826 -4.651 2.706 -4.552 1.00 0.00 H new ATOM 0 HB1 ALA A 826 -6.134 0.751 -4.860 1.00 0.00 H new ATOM 0 HB2 ALA A 826 -6.993 2.124 -4.122 1.00 0.00 H new ATOM 0 HB3 ALA A 826 -7.231 1.749 -5.845 1.00 0.00 H new ATOM 1075 N ARG A 827 -5.042 2.542 -7.795 1.00 0.00 N ATOM 1076 CA ARG A 827 -4.385 2.131 -9.030 1.00 0.00 C ATOM 1077 C ARG A 827 -3.024 2.810 -9.166 1.00 0.00 C ATOM 1078 O ARG A 827 -2.084 2.240 -9.725 1.00 0.00 O ATOM 1079 CB ARG A 827 -5.263 2.455 -10.239 1.00 0.00 C ATOM 1080 CG ARG A 827 -6.292 1.379 -10.545 1.00 0.00 C ATOM 1081 CD ARG A 827 -7.091 1.711 -11.794 1.00 0.00 C ATOM 1082 NE ARG A 827 -8.398 1.058 -11.801 1.00 0.00 N ATOM 1083 CZ ARG A 827 -9.533 1.661 -12.154 1.00 0.00 C ATOM 1084 NH1 ARG A 827 -9.517 2.909 -12.609 1.00 0.00 N ATOM 1085 NH2 ARG A 827 -10.679 1.002 -12.072 1.00 0.00 N ATOM 0 H ARG A 827 -5.852 3.148 -7.929 1.00 0.00 H new ATOM 0 HA ARG A 827 -4.231 1.053 -8.992 1.00 0.00 H new ATOM 0 HB2 ARG A 827 -5.778 3.399 -10.062 1.00 0.00 H new ATOM 0 HB3 ARG A 827 -4.627 2.598 -11.113 1.00 0.00 H new ATOM 0 HG2 ARG A 827 -5.790 0.421 -10.677 1.00 0.00 H new ATOM 0 HG3 ARG A 827 -6.969 1.270 -9.697 1.00 0.00 H new ATOM 0 HD2 ARG A 827 -7.225 2.791 -11.861 1.00 0.00 H new ATOM 0 HD3 ARG A 827 -6.528 1.404 -12.676 1.00 0.00 H new ATOM 0 HE ARG A 827 -8.445 0.079 -11.518 1.00 0.00 H new ATOM 0 HH11 ARG A 827 -8.633 3.411 -12.690 1.00 0.00 H new ATOM 0 HH12 ARG A 827 -10.389 3.365 -12.878 1.00 0.00 H new ATOM 0 HH21 ARG A 827 -10.690 0.038 -11.740 1.00 0.00 H new ATOM 0 HH22 ARG A 827 -11.550 1.459 -12.341 1.00 0.00 H new ATOM 1099 N ILE A 828 -2.925 4.030 -8.652 1.00 0.00 N ATOM 1100 CA ILE A 828 -1.653 4.745 -8.607 1.00 0.00 C ATOM 1101 C ILE A 828 -0.752 4.119 -7.544 1.00 0.00 C ATOM 1102 O ILE A 828 0.454 3.961 -7.744 1.00 0.00 O ATOM 1103 CB ILE A 828 -1.862 6.246 -8.296 1.00 0.00 C ATOM 1104 CG1 ILE A 828 -2.745 6.892 -9.366 1.00 0.00 C ATOM 1105 CG2 ILE A 828 -0.525 6.971 -8.208 1.00 0.00 C ATOM 1106 CD1 ILE A 828 -3.709 7.922 -8.817 1.00 0.00 C ATOM 0 H ILE A 828 -3.712 4.547 -8.259 1.00 0.00 H new ATOM 0 HA ILE A 828 -1.182 4.665 -9.587 1.00 0.00 H new ATOM 0 HB ILE A 828 -2.361 6.329 -7.331 1.00 0.00 H new ATOM 0 HG12 ILE A 828 -2.108 7.365 -10.113 1.00 0.00 H new ATOM 0 HG13 ILE A 828 -3.311 6.113 -9.877 1.00 0.00 H new ATOM 0 HG21 ILE A 828 -0.696 8.025 -7.989 1.00 0.00 H new ATOM 0 HG22 ILE A 828 0.077 6.528 -7.415 1.00 0.00 H new ATOM 0 HG23 ILE A 828 0.002 6.879 -9.158 1.00 0.00 H new ATOM 0 HD11 ILE A 828 -4.301 8.337 -9.632 1.00 0.00 H new ATOM 0 HD12 ILE A 828 -4.371 7.450 -8.091 1.00 0.00 H new ATOM 0 HD13 ILE A 828 -3.150 8.722 -8.332 1.00 0.00 H new ATOM 1118 N LEU A 829 -1.368 3.751 -6.425 1.00 0.00 N ATOM 1119 CA LEU A 829 -0.685 3.076 -5.328 1.00 0.00 C ATOM 1120 C LEU A 829 0.048 1.837 -5.831 1.00 0.00 C ATOM 1121 O LEU A 829 1.229 1.645 -5.546 1.00 0.00 O ATOM 1122 CB LEU A 829 -1.711 2.689 -4.254 1.00 0.00 C ATOM 1123 CG LEU A 829 -1.151 2.048 -2.980 1.00 0.00 C ATOM 1124 CD1 LEU A 829 0.106 2.767 -2.521 1.00 0.00 C ATOM 1125 CD2 LEU A 829 -2.201 2.061 -1.879 1.00 0.00 C ATOM 0 H LEU A 829 -2.360 3.914 -6.253 1.00 0.00 H new ATOM 0 HA LEU A 829 0.053 3.753 -4.898 1.00 0.00 H new ATOM 0 HB2 LEU A 829 -2.265 3.584 -3.972 1.00 0.00 H new ATOM 0 HB3 LEU A 829 -2.427 1.998 -4.698 1.00 0.00 H new ATOM 0 HG LEU A 829 -0.889 1.014 -3.203 1.00 0.00 H new ATOM 0 HD11 LEU A 829 0.485 2.294 -1.615 1.00 0.00 H new ATOM 0 HD12 LEU A 829 0.863 2.712 -3.303 1.00 0.00 H new ATOM 0 HD13 LEU A 829 -0.127 3.812 -2.315 1.00 0.00 H new ATOM 0 HD21 LEU A 829 -1.790 1.603 -0.979 1.00 0.00 H new ATOM 0 HD22 LEU A 829 -2.489 3.090 -1.663 1.00 0.00 H new ATOM 0 HD23 LEU A 829 -3.077 1.500 -2.205 1.00 0.00 H new ATOM 1137 N ALA A 830 -0.658 1.016 -6.599 1.00 0.00 N ATOM 1138 CA ALA A 830 -0.083 -0.207 -7.148 1.00 0.00 C ATOM 1139 C ALA A 830 1.166 0.090 -7.973 1.00 0.00 C ATOM 1140 O ALA A 830 2.178 -0.598 -7.850 1.00 0.00 O ATOM 1141 CB ALA A 830 -1.114 -0.946 -7.988 1.00 0.00 C ATOM 0 H ALA A 830 -1.632 1.175 -6.857 1.00 0.00 H new ATOM 0 HA ALA A 830 0.212 -0.844 -6.314 1.00 0.00 H new ATOM 0 HB1 ALA A 830 -0.670 -1.856 -8.391 1.00 0.00 H new ATOM 0 HB2 ALA A 830 -1.972 -1.205 -7.367 1.00 0.00 H new ATOM 0 HB3 ALA A 830 -1.440 -0.307 -8.809 1.00 0.00 H new ATOM 1147 N GLN A 831 1.096 1.129 -8.794 1.00 0.00 N ATOM 1148 CA GLN A 831 2.213 1.510 -9.649 1.00 0.00 C ATOM 1149 C GLN A 831 3.387 2.010 -8.813 1.00 0.00 C ATOM 1150 O GLN A 831 4.530 1.595 -9.017 1.00 0.00 O ATOM 1151 CB GLN A 831 1.774 2.595 -10.638 1.00 0.00 C ATOM 1152 CG GLN A 831 2.803 2.914 -11.714 1.00 0.00 C ATOM 1153 CD GLN A 831 3.455 1.674 -12.300 1.00 0.00 C ATOM 1154 OE1 GLN A 831 2.780 0.709 -12.668 1.00 0.00 O ATOM 1155 NE2 GLN A 831 4.773 1.694 -12.397 1.00 0.00 N ATOM 0 H GLN A 831 0.274 1.726 -8.886 1.00 0.00 H new ATOM 0 HA GLN A 831 2.535 0.630 -10.205 1.00 0.00 H new ATOM 0 HB2 GLN A 831 0.848 2.279 -11.119 1.00 0.00 H new ATOM 0 HB3 GLN A 831 1.550 3.507 -10.084 1.00 0.00 H new ATOM 0 HG2 GLN A 831 2.321 3.477 -12.514 1.00 0.00 H new ATOM 0 HG3 GLN A 831 3.574 3.558 -11.291 1.00 0.00 H new ATOM 0 HE21 GLN A 831 5.295 2.511 -12.081 1.00 0.00 H new ATOM 0 HE22 GLN A 831 5.268 0.892 -12.788 1.00 0.00 H new ATOM 1164 N ALA A 832 3.091 2.887 -7.865 1.00 0.00 N ATOM 1165 CA ALA A 832 4.116 3.506 -7.038 1.00 0.00 C ATOM 1166 C ALA A 832 4.864 2.477 -6.194 1.00 0.00 C ATOM 1167 O ALA A 832 6.097 2.454 -6.181 1.00 0.00 O ATOM 1168 CB ALA A 832 3.494 4.575 -6.153 1.00 0.00 C ATOM 0 H ALA A 832 2.141 3.188 -7.648 1.00 0.00 H new ATOM 0 HA ALA A 832 4.846 3.970 -7.701 1.00 0.00 H new ATOM 0 HB1 ALA A 832 4.268 5.033 -5.537 1.00 0.00 H new ATOM 0 HB2 ALA A 832 3.028 5.338 -6.777 1.00 0.00 H new ATOM 0 HB3 ALA A 832 2.740 4.121 -5.510 1.00 0.00 H new ATOM 1174 N THR A 833 4.124 1.621 -5.500 1.00 0.00 N ATOM 1175 CA THR A 833 4.734 0.631 -4.625 1.00 0.00 C ATOM 1176 C THR A 833 5.536 -0.410 -5.405 1.00 0.00 C ATOM 1177 O THR A 833 6.619 -0.806 -4.977 1.00 0.00 O ATOM 1178 CB THR A 833 3.683 -0.089 -3.766 1.00 0.00 C ATOM 1179 OG1 THR A 833 2.759 0.861 -3.228 1.00 0.00 O ATOM 1180 CG2 THR A 833 4.352 -0.849 -2.634 1.00 0.00 C ATOM 0 H THR A 833 3.105 1.593 -5.527 1.00 0.00 H new ATOM 0 HA THR A 833 5.414 1.183 -3.976 1.00 0.00 H new ATOM 0 HB THR A 833 3.147 -0.798 -4.397 1.00 0.00 H new ATOM 0 HG1 THR A 833 2.084 0.394 -2.692 1.00 0.00 H new ATOM 0 HG21 THR A 833 3.593 -1.353 -2.036 1.00 0.00 H new ATOM 0 HG22 THR A 833 5.038 -1.588 -3.048 1.00 0.00 H new ATOM 0 HG23 THR A 833 4.906 -0.152 -2.005 1.00 0.00 H new ATOM 1188 N SER A 834 5.015 -0.845 -6.546 1.00 0.00 N ATOM 1189 CA SER A 834 5.700 -1.851 -7.350 1.00 0.00 C ATOM 1190 C SER A 834 7.056 -1.331 -7.821 1.00 0.00 C ATOM 1191 O SER A 834 8.030 -2.081 -7.894 1.00 0.00 O ATOM 1192 CB SER A 834 4.838 -2.260 -8.544 1.00 0.00 C ATOM 1193 OG SER A 834 3.590 -2.781 -8.114 1.00 0.00 O ATOM 0 H SER A 834 4.129 -0.521 -6.933 1.00 0.00 H new ATOM 0 HA SER A 834 5.868 -2.731 -6.729 1.00 0.00 H new ATOM 0 HB2 SER A 834 4.673 -1.398 -9.191 1.00 0.00 H new ATOM 0 HB3 SER A 834 5.364 -3.008 -9.138 1.00 0.00 H new ATOM 0 HG SER A 834 3.029 -2.051 -7.778 1.00 0.00 H new ATOM 1199 N ASP A 835 7.116 -0.038 -8.116 1.00 0.00 N ATOM 1200 CA ASP A 835 8.364 0.594 -8.522 1.00 0.00 C ATOM 1201 C ASP A 835 9.328 0.669 -7.343 1.00 0.00 C ATOM 1202 O ASP A 835 10.525 0.417 -7.488 1.00 0.00 O ATOM 1203 CB ASP A 835 8.099 1.995 -9.069 1.00 0.00 C ATOM 1204 CG ASP A 835 8.786 2.227 -10.395 1.00 0.00 C ATOM 1205 OD1 ASP A 835 9.954 2.670 -10.396 1.00 0.00 O ATOM 1206 OD2 ASP A 835 8.158 1.965 -11.446 1.00 0.00 O ATOM 0 H ASP A 835 6.315 0.593 -8.082 1.00 0.00 H new ATOM 0 HA ASP A 835 8.816 -0.010 -9.309 1.00 0.00 H new ATOM 0 HB2 ASP A 835 7.025 2.140 -9.187 1.00 0.00 H new ATOM 0 HB3 ASP A 835 8.444 2.736 -8.348 1.00 0.00 H new ATOM 1211 N LEU A 836 8.788 1.008 -6.177 1.00 0.00 N ATOM 1212 CA LEU A 836 9.572 1.072 -4.950 1.00 0.00 C ATOM 1213 C LEU A 836 10.170 -0.293 -4.627 1.00 0.00 C ATOM 1214 O LEU A 836 11.377 -0.420 -4.423 1.00 0.00 O ATOM 1215 CB LEU A 836 8.688 1.555 -3.790 1.00 0.00 C ATOM 1216 CG LEU A 836 9.279 1.388 -2.385 1.00 0.00 C ATOM 1217 CD1 LEU A 836 10.490 2.289 -2.201 1.00 0.00 C ATOM 1218 CD2 LEU A 836 8.232 1.693 -1.328 1.00 0.00 C ATOM 0 H LEU A 836 7.803 1.244 -6.057 1.00 0.00 H new ATOM 0 HA LEU A 836 10.389 1.780 -5.092 1.00 0.00 H new ATOM 0 HB2 LEU A 836 8.462 2.610 -3.945 1.00 0.00 H new ATOM 0 HB3 LEU A 836 7.741 1.017 -3.831 1.00 0.00 H new ATOM 0 HG LEU A 836 9.599 0.352 -2.271 1.00 0.00 H new ATOM 0 HD11 LEU A 836 10.894 2.155 -1.198 1.00 0.00 H new ATOM 0 HD12 LEU A 836 11.252 2.030 -2.936 1.00 0.00 H new ATOM 0 HD13 LEU A 836 10.194 3.329 -2.337 1.00 0.00 H new ATOM 0 HD21 LEU A 836 8.669 1.569 -0.337 1.00 0.00 H new ATOM 0 HD22 LEU A 836 7.884 2.719 -1.446 1.00 0.00 H new ATOM 0 HD23 LEU A 836 7.391 1.009 -1.441 1.00 0.00 H new ATOM 1230 N VAL A 837 9.319 -1.313 -4.608 1.00 0.00 N ATOM 1231 CA VAL A 837 9.741 -2.674 -4.291 1.00 0.00 C ATOM 1232 C VAL A 837 10.802 -3.162 -5.278 1.00 0.00 C ATOM 1233 O VAL A 837 11.802 -3.763 -4.883 1.00 0.00 O ATOM 1234 CB VAL A 837 8.537 -3.643 -4.298 1.00 0.00 C ATOM 1235 CG1 VAL A 837 8.990 -5.089 -4.151 1.00 0.00 C ATOM 1236 CG2 VAL A 837 7.559 -3.276 -3.192 1.00 0.00 C ATOM 0 H VAL A 837 8.323 -1.222 -4.810 1.00 0.00 H new ATOM 0 HA VAL A 837 10.173 -2.658 -3.290 1.00 0.00 H new ATOM 0 HB VAL A 837 8.033 -3.548 -5.260 1.00 0.00 H new ATOM 0 HG11 VAL A 837 8.120 -5.746 -4.160 1.00 0.00 H new ATOM 0 HG12 VAL A 837 9.649 -5.350 -4.979 1.00 0.00 H new ATOM 0 HG13 VAL A 837 9.525 -5.209 -3.209 1.00 0.00 H new ATOM 0 HG21 VAL A 837 6.716 -3.966 -3.208 1.00 0.00 H new ATOM 0 HG22 VAL A 837 8.061 -3.339 -2.227 1.00 0.00 H new ATOM 0 HG23 VAL A 837 7.198 -2.259 -3.348 1.00 0.00 H new ATOM 1246 N ASN A 838 10.586 -2.877 -6.557 1.00 0.00 N ATOM 1247 CA ASN A 838 11.524 -3.276 -7.602 1.00 0.00 C ATOM 1248 C ASN A 838 12.888 -2.628 -7.391 1.00 0.00 C ATOM 1249 O ASN A 838 13.925 -3.255 -7.614 1.00 0.00 O ATOM 1250 CB ASN A 838 10.979 -2.901 -8.979 1.00 0.00 C ATOM 1251 CG ASN A 838 11.329 -3.929 -10.036 1.00 0.00 C ATOM 1252 OD1 ASN A 838 10.704 -4.987 -10.120 1.00 0.00 O ATOM 1253 ND2 ASN A 838 12.328 -3.628 -10.846 1.00 0.00 N ATOM 0 H ASN A 838 9.768 -2.370 -6.897 1.00 0.00 H new ATOM 0 HA ASN A 838 11.644 -4.358 -7.548 1.00 0.00 H new ATOM 0 HB2 ASN A 838 9.896 -2.796 -8.922 1.00 0.00 H new ATOM 0 HB3 ASN A 838 11.378 -1.930 -9.273 1.00 0.00 H new ATOM 0 HD21 ASN A 838 12.608 -4.283 -11.576 1.00 0.00 H new ATOM 0 HD22 ASN A 838 12.819 -2.740 -10.742 1.00 0.00 H new ATOM 1260 N ALA A 839 12.882 -1.374 -6.956 1.00 0.00 N ATOM 1261 CA ALA A 839 14.119 -0.654 -6.686 1.00 0.00 C ATOM 1262 C ALA A 839 14.883 -1.309 -5.539 1.00 0.00 C ATOM 1263 O ALA A 839 16.099 -1.497 -5.616 1.00 0.00 O ATOM 1264 CB ALA A 839 13.824 0.804 -6.370 1.00 0.00 C ATOM 0 H ALA A 839 12.034 -0.835 -6.783 1.00 0.00 H new ATOM 0 HA ALA A 839 14.744 -0.695 -7.578 1.00 0.00 H new ATOM 0 HB1 ALA A 839 14.758 1.329 -6.170 1.00 0.00 H new ATOM 0 HB2 ALA A 839 13.322 1.266 -7.220 1.00 0.00 H new ATOM 0 HB3 ALA A 839 13.180 0.863 -5.493 1.00 0.00 H new ATOM 1270 N ILE A 840 14.154 -1.669 -4.488 1.00 0.00 N ATOM 1271 CA ILE A 840 14.740 -2.349 -3.336 1.00 0.00 C ATOM 1272 C ILE A 840 15.315 -3.703 -3.743 1.00 0.00 C ATOM 1273 O ILE A 840 16.372 -4.115 -3.264 1.00 0.00 O ATOM 1274 CB ILE A 840 13.693 -2.555 -2.221 1.00 0.00 C ATOM 1275 CG1 ILE A 840 13.172 -1.209 -1.729 1.00 0.00 C ATOM 1276 CG2 ILE A 840 14.282 -3.349 -1.065 1.00 0.00 C ATOM 1277 CD1 ILE A 840 11.702 -1.223 -1.384 1.00 0.00 C ATOM 0 H ILE A 840 13.151 -1.501 -4.409 1.00 0.00 H new ATOM 0 HA ILE A 840 15.542 -1.716 -2.956 1.00 0.00 H new ATOM 0 HB ILE A 840 12.860 -3.123 -2.635 1.00 0.00 H new ATOM 0 HG12 ILE A 840 13.741 -0.907 -0.849 1.00 0.00 H new ATOM 0 HG13 ILE A 840 13.350 -0.456 -2.497 1.00 0.00 H new ATOM 0 HG21 ILE A 840 13.525 -3.481 -0.292 1.00 0.00 H new ATOM 0 HG22 ILE A 840 14.609 -4.325 -1.423 1.00 0.00 H new ATOM 0 HG23 ILE A 840 15.134 -2.810 -0.650 1.00 0.00 H new ATOM 0 HD11 ILE A 840 11.399 -0.234 -1.041 1.00 0.00 H new ATOM 0 HD12 ILE A 840 11.124 -1.494 -2.267 1.00 0.00 H new ATOM 0 HD13 ILE A 840 11.521 -1.952 -0.594 1.00 0.00 H new ATOM 1289 N LYS A 841 14.609 -4.384 -4.638 1.00 0.00 N ATOM 1290 CA LYS A 841 15.040 -5.682 -5.137 1.00 0.00 C ATOM 1291 C LYS A 841 16.436 -5.593 -5.750 1.00 0.00 C ATOM 1292 O LYS A 841 17.259 -6.490 -5.571 1.00 0.00 O ATOM 1293 CB LYS A 841 14.045 -6.205 -6.174 1.00 0.00 C ATOM 1294 CG LYS A 841 13.811 -7.703 -6.096 1.00 0.00 C ATOM 1295 CD LYS A 841 13.229 -8.241 -7.394 1.00 0.00 C ATOM 1296 CE LYS A 841 13.434 -9.743 -7.520 1.00 0.00 C ATOM 1297 NZ LYS A 841 14.866 -10.097 -7.705 1.00 0.00 N ATOM 0 H LYS A 841 13.729 -4.055 -5.035 1.00 0.00 H new ATOM 0 HA LYS A 841 15.077 -6.375 -4.297 1.00 0.00 H new ATOM 0 HB2 LYS A 841 13.093 -5.690 -6.043 1.00 0.00 H new ATOM 0 HB3 LYS A 841 14.408 -5.955 -7.171 1.00 0.00 H new ATOM 0 HG2 LYS A 841 14.752 -8.209 -5.880 1.00 0.00 H new ATOM 0 HG3 LYS A 841 13.133 -7.925 -5.272 1.00 0.00 H new ATOM 0 HD2 LYS A 841 12.164 -8.014 -7.437 1.00 0.00 H new ATOM 0 HD3 LYS A 841 13.697 -7.737 -8.240 1.00 0.00 H new ATOM 0 HE2 LYS A 841 13.051 -10.237 -6.627 1.00 0.00 H new ATOM 0 HE3 LYS A 841 12.856 -10.118 -8.365 1.00 0.00 H new ATOM 0 HZ1 LYS A 841 14.938 -11.049 -8.117 1.00 0.00 H new ATOM 0 HZ2 LYS A 841 15.314 -9.409 -8.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 841 15.349 -10.080 -6.784 1.00 0.00 H new ATOM 1508 N LEU A 856 15.379 -6.155 3.688 1.00 0.00 N ATOM 1509 CA LEU A 856 14.909 -5.258 2.648 1.00 0.00 C ATOM 1510 C LEU A 856 13.815 -5.890 1.811 1.00 0.00 C ATOM 1511 O LEU A 856 12.750 -5.310 1.610 1.00 0.00 O ATOM 1512 CB LEU A 856 16.092 -4.917 1.751 1.00 0.00 C ATOM 1513 CG LEU A 856 16.828 -3.634 2.132 1.00 0.00 C ATOM 1514 CD1 LEU A 856 18.039 -3.421 1.238 1.00 0.00 C ATOM 1515 CD2 LEU A 856 15.894 -2.437 2.069 1.00 0.00 C ATOM 0 HA LEU A 856 14.493 -4.366 3.115 1.00 0.00 H new ATOM 0 HB2 LEU A 856 16.799 -5.746 1.773 1.00 0.00 H new ATOM 0 HB3 LEU A 856 15.738 -4.827 0.724 1.00 0.00 H new ATOM 0 HG LEU A 856 17.178 -3.737 3.159 1.00 0.00 H new ATOM 0 HD11 LEU A 856 18.548 -2.501 1.527 1.00 0.00 H new ATOM 0 HD12 LEU A 856 18.723 -4.263 1.345 1.00 0.00 H new ATOM 0 HD13 LEU A 856 17.716 -3.345 0.200 1.00 0.00 H new ATOM 0 HD21 LEU A 856 16.440 -1.535 2.344 1.00 0.00 H new ATOM 0 HD22 LEU A 856 15.506 -2.331 1.056 1.00 0.00 H new ATOM 0 HD23 LEU A 856 15.065 -2.585 2.762 1.00 0.00 H new ATOM 1527 N LEU A 857 14.079 -7.097 1.354 1.00 0.00 N ATOM 1528 CA LEU A 857 13.165 -7.804 0.481 1.00 0.00 C ATOM 1529 C LEU A 857 11.975 -8.355 1.255 1.00 0.00 C ATOM 1530 O LEU A 857 10.915 -8.614 0.683 1.00 0.00 O ATOM 1531 CB LEU A 857 13.923 -8.898 -0.253 1.00 0.00 C ATOM 1532 CG LEU A 857 15.211 -8.410 -0.917 1.00 0.00 C ATOM 1533 CD1 LEU A 857 16.306 -9.462 -0.792 1.00 0.00 C ATOM 1534 CD2 LEU A 857 14.954 -8.085 -2.379 1.00 0.00 C ATOM 0 H LEU A 857 14.930 -7.614 1.576 1.00 0.00 H new ATOM 0 HA LEU A 857 12.757 -7.110 -0.254 1.00 0.00 H new ATOM 0 HB2 LEU A 857 14.166 -9.695 0.450 1.00 0.00 H new ATOM 0 HB3 LEU A 857 13.273 -9.331 -1.014 1.00 0.00 H new ATOM 0 HG LEU A 857 15.544 -7.505 -0.410 1.00 0.00 H new ATOM 0 HD11 LEU A 857 17.216 -9.099 -1.270 1.00 0.00 H new ATOM 0 HD12 LEU A 857 16.503 -9.658 0.262 1.00 0.00 H new ATOM 0 HD13 LEU A 857 15.983 -10.383 -1.279 1.00 0.00 H new ATOM 0 HD21 LEU A 857 15.878 -7.738 -2.842 1.00 0.00 H new ATOM 0 HD22 LEU A 857 14.603 -8.979 -2.894 1.00 0.00 H new ATOM 0 HD23 LEU A 857 14.197 -7.304 -2.450 1.00 0.00 H new ATOM 1546 N SER A 858 12.153 -8.537 2.557 1.00 0.00 N ATOM 1547 CA SER A 858 11.053 -8.935 3.421 1.00 0.00 C ATOM 1548 C SER A 858 10.092 -7.764 3.603 1.00 0.00 C ATOM 1549 O SER A 858 8.878 -7.918 3.479 1.00 0.00 O ATOM 1550 CB SER A 858 11.576 -9.406 4.778 1.00 0.00 C ATOM 1551 OG SER A 858 12.674 -10.295 4.630 1.00 0.00 O ATOM 0 H SER A 858 13.046 -8.416 3.035 1.00 0.00 H new ATOM 0 HA SER A 858 10.523 -9.765 2.954 1.00 0.00 H new ATOM 0 HB2 SER A 858 11.881 -8.544 5.371 1.00 0.00 H new ATOM 0 HB3 SER A 858 10.775 -9.903 5.326 1.00 0.00 H new ATOM 0 HG SER A 858 12.988 -10.578 5.514 1.00 0.00 H new ATOM 1557 N ALA A 859 10.650 -6.589 3.876 1.00 0.00 N ATOM 1558 CA ALA A 859 9.856 -5.376 4.029 1.00 0.00 C ATOM 1559 C ALA A 859 9.214 -4.983 2.704 1.00 0.00 C ATOM 1560 O ALA A 859 8.060 -4.559 2.662 1.00 0.00 O ATOM 1561 CB ALA A 859 10.719 -4.240 4.565 1.00 0.00 C ATOM 0 H ALA A 859 11.654 -6.451 3.996 1.00 0.00 H new ATOM 0 HA ALA A 859 9.060 -5.574 4.747 1.00 0.00 H new ATOM 0 HB1 ALA A 859 10.111 -3.342 4.674 1.00 0.00 H new ATOM 0 HB2 ALA A 859 11.128 -4.521 5.535 1.00 0.00 H new ATOM 0 HB3 ALA A 859 11.535 -4.044 3.870 1.00 0.00 H new ATOM 1567 N ALA A 860 9.972 -5.138 1.622 1.00 0.00 N ATOM 1568 CA ALA A 860 9.471 -4.857 0.282 1.00 0.00 C ATOM 1569 C ALA A 860 8.290 -5.761 -0.055 1.00 0.00 C ATOM 1570 O ALA A 860 7.375 -5.361 -0.776 1.00 0.00 O ATOM 1571 CB ALA A 860 10.578 -5.027 -0.746 1.00 0.00 C ATOM 0 H ALA A 860 10.940 -5.458 1.649 1.00 0.00 H new ATOM 0 HA ALA A 860 9.128 -3.823 0.257 1.00 0.00 H new ATOM 0 HB1 ALA A 860 10.187 -4.813 -1.741 1.00 0.00 H new ATOM 0 HB2 ALA A 860 11.392 -4.338 -0.521 1.00 0.00 H new ATOM 0 HB3 ALA A 860 10.950 -6.051 -0.715 1.00 0.00 H new ATOM 1577 N LYS A 861 8.314 -6.979 0.472 1.00 0.00 N ATOM 1578 CA LYS A 861 7.208 -7.903 0.290 1.00 0.00 C ATOM 1579 C LYS A 861 5.944 -7.332 0.911 1.00 0.00 C ATOM 1580 O LYS A 861 4.905 -7.271 0.264 1.00 0.00 O ATOM 1581 CB LYS A 861 7.523 -9.264 0.909 1.00 0.00 C ATOM 1582 CG LYS A 861 6.699 -10.400 0.321 1.00 0.00 C ATOM 1583 CD LYS A 861 7.561 -11.601 -0.040 1.00 0.00 C ATOM 1584 CE LYS A 861 8.807 -11.191 -0.811 1.00 0.00 C ATOM 1585 NZ LYS A 861 10.040 -11.381 -0.006 1.00 0.00 N ATOM 0 H LYS A 861 9.087 -7.347 1.027 1.00 0.00 H new ATOM 0 HA LYS A 861 7.053 -8.041 -0.780 1.00 0.00 H new ATOM 0 HB2 LYS A 861 8.582 -9.482 0.769 1.00 0.00 H new ATOM 0 HB3 LYS A 861 7.347 -9.216 1.984 1.00 0.00 H new ATOM 0 HG2 LYS A 861 5.936 -10.704 1.038 1.00 0.00 H new ATOM 0 HG3 LYS A 861 6.178 -10.047 -0.569 1.00 0.00 H new ATOM 0 HD2 LYS A 861 7.853 -12.126 0.870 1.00 0.00 H new ATOM 0 HD3 LYS A 861 6.977 -12.301 -0.638 1.00 0.00 H new ATOM 0 HE2 LYS A 861 8.877 -11.777 -1.727 1.00 0.00 H new ATOM 0 HE3 LYS A 861 8.724 -10.145 -1.107 1.00 0.00 H new ATOM 0 HZ1 LYS A 861 10.432 -10.453 0.253 1.00 0.00 H new ATOM 0 HZ2 LYS A 861 9.812 -11.914 0.858 1.00 0.00 H new ATOM 0 HZ3 LYS A 861 10.741 -11.910 -0.564 1.00 0.00 H new ATOM 1599 N ILE A 862 6.052 -6.888 2.162 1.00 0.00 N ATOM 1600 CA ILE A 862 4.922 -6.288 2.867 1.00 0.00 C ATOM 1601 C ILE A 862 4.407 -5.066 2.114 1.00 0.00 C ATOM 1602 O ILE A 862 3.199 -4.851 2.023 1.00 0.00 O ATOM 1603 CB ILE A 862 5.294 -5.868 4.306 1.00 0.00 C ATOM 1604 CG1 ILE A 862 6.181 -6.922 4.964 1.00 0.00 C ATOM 1605 CG2 ILE A 862 4.038 -5.646 5.137 1.00 0.00 C ATOM 1606 CD1 ILE A 862 7.086 -6.358 6.036 1.00 0.00 C ATOM 0 H ILE A 862 6.912 -6.933 2.708 1.00 0.00 H new ATOM 0 HA ILE A 862 4.144 -7.050 2.918 1.00 0.00 H new ATOM 0 HB ILE A 862 5.850 -4.932 4.254 1.00 0.00 H new ATOM 0 HG12 ILE A 862 5.550 -7.696 5.401 1.00 0.00 H new ATOM 0 HG13 ILE A 862 6.791 -7.402 4.199 1.00 0.00 H new ATOM 0 HG21 ILE A 862 4.318 -5.351 6.148 1.00 0.00 H new ATOM 0 HG22 ILE A 862 3.436 -4.859 4.683 1.00 0.00 H new ATOM 0 HG23 ILE A 862 3.460 -6.569 5.176 1.00 0.00 H new ATOM 0 HD11 ILE A 862 7.689 -7.160 6.462 1.00 0.00 H new ATOM 0 HD12 ILE A 862 7.741 -5.604 5.599 1.00 0.00 H new ATOM 0 HD13 ILE A 862 6.481 -5.903 6.820 1.00 0.00 H new ATOM 1618 N LEU A 863 5.332 -4.280 1.573 1.00 0.00 N ATOM 1619 CA LEU A 863 4.987 -3.098 0.787 1.00 0.00 C ATOM 1620 C LEU A 863 4.013 -3.458 -0.334 1.00 0.00 C ATOM 1621 O LEU A 863 2.910 -2.910 -0.417 1.00 0.00 O ATOM 1622 CB LEU A 863 6.252 -2.470 0.189 1.00 0.00 C ATOM 1623 CG LEU A 863 6.703 -1.146 0.818 1.00 0.00 C ATOM 1624 CD1 LEU A 863 5.529 -0.192 0.976 1.00 0.00 C ATOM 1625 CD2 LEU A 863 7.371 -1.397 2.161 1.00 0.00 C ATOM 0 H LEU A 863 6.335 -4.441 1.665 1.00 0.00 H new ATOM 0 HA LEU A 863 4.507 -2.378 1.450 1.00 0.00 H new ATOM 0 HB2 LEU A 863 7.067 -3.188 0.277 1.00 0.00 H new ATOM 0 HB3 LEU A 863 6.085 -2.306 -0.876 1.00 0.00 H new ATOM 0 HG LEU A 863 7.429 -0.682 0.150 1.00 0.00 H new ATOM 0 HD11 LEU A 863 5.875 0.739 1.424 1.00 0.00 H new ATOM 0 HD12 LEU A 863 5.094 0.015 -0.002 1.00 0.00 H new ATOM 0 HD13 LEU A 863 4.775 -0.646 1.619 1.00 0.00 H new ATOM 0 HD21 LEU A 863 7.685 -0.447 2.594 1.00 0.00 H new ATOM 0 HD22 LEU A 863 6.665 -1.886 2.832 1.00 0.00 H new ATOM 0 HD23 LEU A 863 8.242 -2.037 2.020 1.00 0.00 H new ATOM 1637 N ALA A 864 4.418 -4.396 -1.180 1.00 0.00 N ATOM 1638 CA ALA A 864 3.602 -4.805 -2.317 1.00 0.00 C ATOM 1639 C ALA A 864 2.383 -5.604 -1.866 1.00 0.00 C ATOM 1640 O ALA A 864 1.291 -5.455 -2.415 1.00 0.00 O ATOM 1641 CB ALA A 864 4.437 -5.618 -3.295 1.00 0.00 C ATOM 0 H ALA A 864 5.308 -4.889 -1.101 1.00 0.00 H new ATOM 0 HA ALA A 864 3.244 -3.905 -2.818 1.00 0.00 H new ATOM 0 HB1 ALA A 864 3.818 -5.918 -4.140 1.00 0.00 H new ATOM 0 HB2 ALA A 864 5.270 -5.013 -3.653 1.00 0.00 H new ATOM 0 HB3 ALA A 864 4.822 -6.506 -2.794 1.00 0.00 H new ATOM 1647 N ASP A 865 2.578 -6.439 -0.853 1.00 0.00 N ATOM 1648 CA ASP A 865 1.516 -7.295 -0.334 1.00 0.00 C ATOM 1649 C ASP A 865 0.359 -6.467 0.210 1.00 0.00 C ATOM 1650 O ASP A 865 -0.808 -6.755 -0.065 1.00 0.00 O ATOM 1651 CB ASP A 865 2.060 -8.200 0.768 1.00 0.00 C ATOM 1652 CG ASP A 865 1.616 -9.636 0.610 1.00 0.00 C ATOM 1653 OD1 ASP A 865 1.948 -10.261 -0.422 1.00 0.00 O ATOM 1654 OD2 ASP A 865 0.936 -10.151 1.517 1.00 0.00 O ATOM 0 H ASP A 865 3.470 -6.543 -0.370 1.00 0.00 H new ATOM 0 HA ASP A 865 1.147 -7.906 -1.157 1.00 0.00 H new ATOM 0 HB2 ASP A 865 3.149 -8.157 0.764 1.00 0.00 H new ATOM 0 HB3 ASP A 865 1.730 -7.826 1.737 1.00 0.00 H new ATOM 1659 N ALA A 866 0.689 -5.438 0.978 1.00 0.00 N ATOM 1660 CA ALA A 866 -0.316 -4.552 1.544 1.00 0.00 C ATOM 1661 C ALA A 866 -0.958 -3.700 0.458 1.00 0.00 C ATOM 1662 O ALA A 866 -2.135 -3.359 0.541 1.00 0.00 O ATOM 1663 CB ALA A 866 0.300 -3.670 2.618 1.00 0.00 C ATOM 0 H ALA A 866 1.649 -5.196 1.224 1.00 0.00 H new ATOM 0 HA ALA A 866 -1.094 -5.164 2.001 1.00 0.00 H new ATOM 0 HB1 ALA A 866 -0.465 -3.013 3.032 1.00 0.00 H new ATOM 0 HB2 ALA A 866 0.709 -4.295 3.412 1.00 0.00 H new ATOM 0 HB3 ALA A 866 1.098 -3.069 2.182 1.00 0.00 H new ATOM 1669 N THR A 867 -0.183 -3.363 -0.566 1.00 0.00 N ATOM 1670 CA THR A 867 -0.699 -2.592 -1.689 1.00 0.00 C ATOM 1671 C THR A 867 -1.755 -3.394 -2.449 1.00 0.00 C ATOM 1672 O THR A 867 -2.781 -2.853 -2.866 1.00 0.00 O ATOM 1673 CB THR A 867 0.434 -2.168 -2.643 1.00 0.00 C ATOM 1674 OG1 THR A 867 1.346 -1.308 -1.952 1.00 0.00 O ATOM 1675 CG2 THR A 867 -0.113 -1.446 -3.867 1.00 0.00 C ATOM 0 H THR A 867 0.803 -3.611 -0.641 1.00 0.00 H new ATOM 0 HA THR A 867 -1.161 -1.690 -1.289 1.00 0.00 H new ATOM 0 HB THR A 867 0.949 -3.068 -2.979 1.00 0.00 H new ATOM 0 HG1 THR A 867 1.834 -1.824 -1.277 1.00 0.00 H new ATOM 0 HG21 THR A 867 0.712 -1.160 -4.520 1.00 0.00 H new ATOM 0 HG22 THR A 867 -0.791 -2.107 -4.407 1.00 0.00 H new ATOM 0 HG23 THR A 867 -0.652 -0.553 -3.552 1.00 0.00 H new ATOM 1683 N ALA A 868 -1.508 -4.692 -2.610 1.00 0.00 N ATOM 1684 CA ALA A 868 -2.480 -5.573 -3.241 1.00 0.00 C ATOM 1685 C ALA A 868 -3.746 -5.645 -2.409 1.00 0.00 C ATOM 1686 O ALA A 868 -4.850 -5.662 -2.946 1.00 0.00 O ATOM 1687 CB ALA A 868 -1.916 -6.969 -3.428 1.00 0.00 C ATOM 0 H ALA A 868 -0.647 -5.152 -2.313 1.00 0.00 H new ATOM 0 HA ALA A 868 -2.714 -5.159 -4.222 1.00 0.00 H new ATOM 0 HB1 ALA A 868 -2.665 -7.604 -3.901 1.00 0.00 H new ATOM 0 HB2 ALA A 868 -1.029 -6.921 -4.060 1.00 0.00 H new ATOM 0 HB3 ALA A 868 -1.648 -7.386 -2.457 1.00 0.00 H new ATOM 1693 N LYS A 869 -3.573 -5.691 -1.094 1.00 0.00 N ATOM 1694 CA LYS A 869 -4.699 -5.718 -0.172 1.00 0.00 C ATOM 1695 C LYS A 869 -5.437 -4.385 -0.201 1.00 0.00 C ATOM 1696 O LYS A 869 -6.653 -4.335 -0.043 1.00 0.00 O ATOM 1697 CB LYS A 869 -4.218 -6.017 1.248 1.00 0.00 C ATOM 1698 CG LYS A 869 -4.740 -7.331 1.803 1.00 0.00 C ATOM 1699 CD LYS A 869 -6.202 -7.226 2.201 1.00 0.00 C ATOM 1700 CE LYS A 869 -6.640 -8.416 3.041 1.00 0.00 C ATOM 1701 NZ LYS A 869 -7.372 -9.431 2.237 1.00 0.00 N ATOM 0 H LYS A 869 -2.659 -5.710 -0.642 1.00 0.00 H new ATOM 0 HA LYS A 869 -5.382 -6.507 -0.485 1.00 0.00 H new ATOM 0 HB2 LYS A 869 -3.128 -6.036 1.257 1.00 0.00 H new ATOM 0 HB3 LYS A 869 -4.528 -5.205 1.906 1.00 0.00 H new ATOM 0 HG2 LYS A 869 -4.621 -8.116 1.056 1.00 0.00 H new ATOM 0 HG3 LYS A 869 -4.146 -7.623 2.669 1.00 0.00 H new ATOM 0 HD2 LYS A 869 -6.362 -6.305 2.762 1.00 0.00 H new ATOM 0 HD3 LYS A 869 -6.820 -7.165 1.305 1.00 0.00 H new ATOM 0 HE2 LYS A 869 -5.765 -8.878 3.497 1.00 0.00 H new ATOM 0 HE3 LYS A 869 -7.278 -8.070 3.854 1.00 0.00 H new ATOM 0 HZ1 LYS A 869 -8.269 -9.666 2.708 1.00 0.00 H new ATOM 0 HZ2 LYS A 869 -7.568 -9.048 1.290 1.00 0.00 H new ATOM 0 HZ3 LYS A 869 -6.791 -10.289 2.150 1.00 0.00 H new ATOM 1715 N MET A 870 -4.690 -3.312 -0.406 1.00 0.00 N ATOM 1716 CA MET A 870 -5.265 -1.979 -0.497 1.00 0.00 C ATOM 1717 C MET A 870 -6.113 -1.846 -1.755 1.00 0.00 C ATOM 1718 O MET A 870 -7.257 -1.395 -1.700 1.00 0.00 O ATOM 1719 CB MET A 870 -4.160 -0.922 -0.488 1.00 0.00 C ATOM 1720 CG MET A 870 -4.340 0.121 0.597 1.00 0.00 C ATOM 1721 SD MET A 870 -6.075 0.453 0.953 1.00 0.00 S ATOM 1722 CE MET A 870 -6.390 1.778 -0.199 1.00 0.00 C ATOM 0 H MET A 870 -3.676 -3.339 -0.513 1.00 0.00 H new ATOM 0 HA MET A 870 -5.907 -1.821 0.370 1.00 0.00 H new ATOM 0 HB2 MET A 870 -3.197 -1.414 -0.354 1.00 0.00 H new ATOM 0 HB3 MET A 870 -4.132 -0.426 -1.458 1.00 0.00 H new ATOM 0 HG2 MET A 870 -3.844 -0.216 1.507 1.00 0.00 H new ATOM 0 HG3 MET A 870 -3.851 1.046 0.292 1.00 0.00 H new ATOM 0 HE1 MET A 870 -7.435 1.752 -0.507 1.00 0.00 H new ATOM 0 HE2 MET A 870 -6.177 2.734 0.279 1.00 0.00 H new ATOM 0 HE3 MET A 870 -5.751 1.659 -1.074 1.00 0.00 H new ATOM 1732 N VAL A 871 -5.551 -2.254 -2.886 1.00 0.00 N ATOM 1733 CA VAL A 871 -6.282 -2.254 -4.145 1.00 0.00 C ATOM 1734 C VAL A 871 -7.467 -3.220 -4.059 1.00 0.00 C ATOM 1735 O VAL A 871 -8.518 -3.002 -4.663 1.00 0.00 O ATOM 1736 CB VAL A 871 -5.347 -2.621 -5.332 1.00 0.00 C ATOM 1737 CG1 VAL A 871 -5.607 -4.026 -5.863 1.00 0.00 C ATOM 1738 CG2 VAL A 871 -5.483 -1.595 -6.445 1.00 0.00 C ATOM 0 H VAL A 871 -4.590 -2.589 -2.956 1.00 0.00 H new ATOM 0 HA VAL A 871 -6.664 -1.250 -4.328 1.00 0.00 H new ATOM 0 HB VAL A 871 -4.324 -2.608 -4.955 1.00 0.00 H new ATOM 0 HG11 VAL A 871 -4.929 -4.233 -6.691 1.00 0.00 H new ATOM 0 HG12 VAL A 871 -5.441 -4.752 -5.067 1.00 0.00 H new ATOM 0 HG13 VAL A 871 -6.637 -4.098 -6.211 1.00 0.00 H new ATOM 0 HG21 VAL A 871 -4.823 -1.864 -7.270 1.00 0.00 H new ATOM 0 HG22 VAL A 871 -6.514 -1.575 -6.797 1.00 0.00 H new ATOM 0 HG23 VAL A 871 -5.209 -0.610 -6.067 1.00 0.00 H new ATOM 1748 N GLU A 872 -7.277 -4.273 -3.273 1.00 0.00 N ATOM 1749 CA GLU A 872 -8.303 -5.274 -3.027 1.00 0.00 C ATOM 1750 C GLU A 872 -9.467 -4.663 -2.245 1.00 0.00 C ATOM 1751 O GLU A 872 -10.630 -4.804 -2.622 1.00 0.00 O ATOM 1752 CB GLU A 872 -7.684 -6.432 -2.237 1.00 0.00 C ATOM 1753 CG GLU A 872 -8.503 -7.709 -2.234 1.00 0.00 C ATOM 1754 CD GLU A 872 -7.854 -8.790 -1.395 1.00 0.00 C ATOM 1755 OE1 GLU A 872 -6.835 -9.358 -1.839 1.00 0.00 O ATOM 1756 OE2 GLU A 872 -8.349 -9.066 -0.281 1.00 0.00 O ATOM 0 H GLU A 872 -6.400 -4.456 -2.786 1.00 0.00 H new ATOM 0 HA GLU A 872 -8.689 -5.642 -3.978 1.00 0.00 H new ATOM 0 HB2 GLU A 872 -6.699 -6.650 -2.650 1.00 0.00 H new ATOM 0 HB3 GLU A 872 -7.534 -6.111 -1.206 1.00 0.00 H new ATOM 0 HG2 GLU A 872 -9.501 -7.500 -1.849 1.00 0.00 H new ATOM 0 HG3 GLU A 872 -8.624 -8.066 -3.257 1.00 0.00 H new ATOM 1763 N ALA A 873 -9.133 -3.968 -1.165 1.00 0.00 N ATOM 1764 CA ALA A 873 -10.128 -3.364 -0.291 1.00 0.00 C ATOM 1765 C ALA A 873 -10.838 -2.201 -0.970 1.00 0.00 C ATOM 1766 O ALA A 873 -12.058 -2.071 -0.870 1.00 0.00 O ATOM 1767 CB ALA A 873 -9.475 -2.900 1.000 1.00 0.00 C ATOM 0 H ALA A 873 -8.169 -3.808 -0.872 1.00 0.00 H new ATOM 0 HA ALA A 873 -10.877 -4.122 -0.063 1.00 0.00 H new ATOM 0 HB1 ALA A 873 -10.228 -2.450 1.647 1.00 0.00 H new ATOM 0 HB2 ALA A 873 -9.024 -3.753 1.507 1.00 0.00 H new ATOM 0 HB3 ALA A 873 -8.704 -2.164 0.774 1.00 0.00 H new ATOM 1773 N ALA A 874 -10.073 -1.361 -1.661 1.00 0.00 N ATOM 1774 CA ALA A 874 -10.634 -0.195 -2.338 1.00 0.00 C ATOM 1775 C ALA A 874 -11.664 -0.606 -3.383 1.00 0.00 C ATOM 1776 O ALA A 874 -12.679 0.064 -3.565 1.00 0.00 O ATOM 1777 CB ALA A 874 -9.529 0.632 -2.978 1.00 0.00 C ATOM 0 H ALA A 874 -9.064 -1.465 -1.767 1.00 0.00 H new ATOM 0 HA ALA A 874 -11.140 0.415 -1.590 1.00 0.00 H new ATOM 0 HB1 ALA A 874 -9.965 1.497 -3.478 1.00 0.00 H new ATOM 0 HB2 ALA A 874 -8.835 0.970 -2.208 1.00 0.00 H new ATOM 0 HB3 ALA A 874 -8.994 0.023 -3.707 1.00 0.00 H new ATOM 1783 N LYS A 875 -11.399 -1.715 -4.060 1.00 0.00 N ATOM 1784 CA LYS A 875 -12.318 -2.240 -5.060 1.00 0.00 C ATOM 1785 C LYS A 875 -13.495 -2.943 -4.392 1.00 0.00 C ATOM 1786 O LYS A 875 -14.643 -2.793 -4.812 1.00 0.00 O ATOM 1787 CB LYS A 875 -11.593 -3.219 -5.982 1.00 0.00 C ATOM 1788 CG LYS A 875 -10.999 -2.576 -7.227 1.00 0.00 C ATOM 1789 CD LYS A 875 -9.736 -3.295 -7.692 1.00 0.00 C ATOM 1790 CE LYS A 875 -9.792 -4.788 -7.395 1.00 0.00 C ATOM 1791 NZ LYS A 875 -9.013 -5.590 -8.374 1.00 0.00 N ATOM 0 H LYS A 875 -10.552 -2.270 -3.934 1.00 0.00 H new ATOM 0 HA LYS A 875 -12.695 -1.403 -5.648 1.00 0.00 H new ATOM 0 HB2 LYS A 875 -10.795 -3.706 -5.422 1.00 0.00 H new ATOM 0 HB3 LYS A 875 -12.291 -3.999 -6.287 1.00 0.00 H new ATOM 0 HG2 LYS A 875 -11.738 -2.586 -8.028 1.00 0.00 H new ATOM 0 HG3 LYS A 875 -10.767 -1.531 -7.020 1.00 0.00 H new ATOM 0 HD2 LYS A 875 -9.605 -3.142 -8.763 1.00 0.00 H new ATOM 0 HD3 LYS A 875 -8.867 -2.859 -7.199 1.00 0.00 H new ATOM 0 HE2 LYS A 875 -9.407 -4.971 -6.392 1.00 0.00 H new ATOM 0 HE3 LYS A 875 -10.831 -5.119 -7.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 875 -9.082 -6.599 -8.130 1.00 0.00 H new ATOM 0 HZ2 LYS A 875 -9.395 -5.438 -9.329 1.00 0.00 H new ATOM 0 HZ3 LYS A 875 -8.016 -5.295 -8.349 1.00 0.00 H new ATOM 1805 N GLY A 876 -13.200 -3.708 -3.348 1.00 0.00 N ATOM 1806 CA GLY A 876 -14.224 -4.479 -2.670 1.00 0.00 C ATOM 1807 C GLY A 876 -15.240 -3.614 -1.952 1.00 0.00 C ATOM 1808 O GLY A 876 -16.423 -3.949 -1.903 1.00 0.00 O ATOM 0 H GLY A 876 -12.263 -3.808 -2.957 1.00 0.00 H new ATOM 0 HA2 GLY A 876 -14.739 -5.107 -3.397 1.00 0.00 H new ATOM 0 HA3 GLY A 876 -13.751 -5.147 -1.950 1.00 0.00 H new