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 -173:sc= 0.695 USER MOD Set 1.2: A 867 THR OG1 : rot 67:sc= 0.637 USER MOD Set 2.1: A 811 ASN : amide:sc=-0.00701 K(o=1.2,f=-0.32!) USER MOD Set 2.2: A 825 GLN : amide:sc= 1.23 K(o=1.2,f=-2.8!) USER MOD Single : A 772 THR OG1 : rot 92:sc= 1.24 USER MOD Single : A 775 THR OG1 : rot 80:sc= 1.06 USER MOD Single : A 776 GLN : amide:sc= -0.0576 X(o=-0.058,f=-0.037) USER MOD Single : A 779 ASN : amide:sc= 0.648 K(o=0.65,f=0) USER MOD Single : A 802 THR OG1 : rot 180:sc= 0.0454 USER MOD Single : A 804 THR OG1 : rot 180:sc= 0 USER MOD Single : A 807 THR OG1 : rot 91:sc= 1.24 USER MOD Single : A 809 THR OG1 : rot 80:sc= 1.06 USER MOD Single : A 814 SER OG : rot 180:sc= 0.119 USER MOD Single : A 815 SER OG : rot 77:sc= 1.13 USER MOD Single : A 816 MET CE :methyl 159:sc= -0.0273 (180deg=-0.345) USER MOD Single : A 822 MET CE :methyl 160:sc= -0.137 (180deg=-1.35) USER MOD Single : A 831 GLN : amide:sc= -0.0293 K(o=-0.029,f=-1.2!) USER MOD Single : A 834 SER OG : rot 80:sc= 1.25 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+ -155:sc= -0.389 (180deg=-1.57!) USER MOD Single : A 870 MET CE :methyl 167:sc= -3.52! (180deg=-3.66!) USER MOD Single : A 875 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 220 N GLY A 766 -12.238 -2.855 6.011 1.00 0.00 N ATOM 221 CA GLY A 766 -11.335 -3.427 5.031 1.00 0.00 C ATOM 222 C GLY A 766 -10.353 -2.413 4.496 1.00 0.00 C ATOM 223 O GLY A 766 -9.140 -2.601 4.596 1.00 0.00 O ATOM 0 HA2 GLY A 766 -10.789 -4.255 5.483 1.00 0.00 H new ATOM 0 HA3 GLY A 766 -11.914 -3.840 4.205 1.00 0.00 H new ATOM 227 N VAL A 767 -10.877 -1.326 3.940 1.00 0.00 N ATOM 228 CA VAL A 767 -10.036 -0.273 3.386 1.00 0.00 C ATOM 229 C VAL A 767 -9.150 0.327 4.468 1.00 0.00 C ATOM 230 O VAL A 767 -7.976 0.598 4.240 1.00 0.00 O ATOM 231 CB VAL A 767 -10.867 0.853 2.742 1.00 0.00 C ATOM 232 CG1 VAL A 767 -10.002 1.699 1.820 1.00 0.00 C ATOM 233 CG2 VAL A 767 -12.060 0.283 1.992 1.00 0.00 C ATOM 0 H VAL A 767 -11.879 -1.152 3.861 1.00 0.00 H new ATOM 0 HA VAL A 767 -9.422 -0.735 2.613 1.00 0.00 H new ATOM 0 HB VAL A 767 -11.244 1.495 3.538 1.00 0.00 H new ATOM 0 HG11 VAL A 767 -10.608 2.488 1.375 1.00 0.00 H new ATOM 0 HG12 VAL A 767 -9.188 2.145 2.392 1.00 0.00 H new ATOM 0 HG13 VAL A 767 -9.589 1.071 1.031 1.00 0.00 H new ATOM 0 HG21 VAL A 767 -12.632 1.097 1.546 1.00 0.00 H new ATOM 0 HG22 VAL A 767 -11.710 -0.387 1.207 1.00 0.00 H new ATOM 0 HG23 VAL A 767 -12.695 -0.269 2.685 1.00 0.00 H new ATOM 243 N GLY A 768 -9.721 0.514 5.651 1.00 0.00 N ATOM 244 CA GLY A 768 -8.970 1.070 6.760 1.00 0.00 C ATOM 245 C GLY A 768 -7.791 0.202 7.152 1.00 0.00 C ATOM 246 O GLY A 768 -6.664 0.689 7.254 1.00 0.00 O ATOM 0 H GLY A 768 -10.693 0.290 5.863 1.00 0.00 H new ATOM 0 HA2 GLY A 768 -8.612 2.064 6.491 1.00 0.00 H new ATOM 0 HA3 GLY A 768 -9.631 1.190 7.619 1.00 0.00 H new ATOM 250 N ALA A 769 -8.047 -1.086 7.351 1.00 0.00 N ATOM 251 CA ALA A 769 -7.001 -2.029 7.730 1.00 0.00 C ATOM 252 C ALA A 769 -5.942 -2.138 6.641 1.00 0.00 C ATOM 253 O ALA A 769 -4.742 -2.120 6.922 1.00 0.00 O ATOM 254 CB ALA A 769 -7.598 -3.398 8.017 1.00 0.00 C ATOM 0 H ALA A 769 -8.973 -1.502 7.256 1.00 0.00 H new ATOM 0 HA ALA A 769 -6.524 -1.654 8.636 1.00 0.00 H new ATOM 0 HB1 ALA A 769 -6.804 -4.090 8.298 1.00 0.00 H new ATOM 0 HB2 ALA A 769 -8.316 -3.318 8.834 1.00 0.00 H new ATOM 0 HB3 ALA A 769 -8.103 -3.769 7.125 1.00 0.00 H new ATOM 260 N ALA A 770 -6.396 -2.237 5.399 1.00 0.00 N ATOM 261 CA ALA A 770 -5.502 -2.373 4.260 1.00 0.00 C ATOM 262 C ALA A 770 -4.647 -1.123 4.072 1.00 0.00 C ATOM 263 O ALA A 770 -3.429 -1.213 3.913 1.00 0.00 O ATOM 264 CB ALA A 770 -6.304 -2.667 3.004 1.00 0.00 C ATOM 0 H ALA A 770 -7.386 -2.225 5.155 1.00 0.00 H new ATOM 0 HA ALA A 770 -4.827 -3.207 4.453 1.00 0.00 H new ATOM 0 HB1 ALA A 770 -5.627 -2.767 2.155 1.00 0.00 H new ATOM 0 HB2 ALA A 770 -6.860 -3.595 3.136 1.00 0.00 H new ATOM 0 HB3 ALA A 770 -7.001 -1.850 2.818 1.00 0.00 H new ATOM 270 N ALA A 771 -5.288 0.040 4.104 1.00 0.00 N ATOM 271 CA ALA A 771 -4.589 1.308 3.944 1.00 0.00 C ATOM 272 C ALA A 771 -3.565 1.507 5.058 1.00 0.00 C ATOM 273 O ALA A 771 -2.438 1.943 4.813 1.00 0.00 O ATOM 274 CB ALA A 771 -5.582 2.460 3.921 1.00 0.00 C ATOM 0 H ALA A 771 -6.295 0.130 4.240 1.00 0.00 H new ATOM 0 HA ALA A 771 -4.057 1.288 2.993 1.00 0.00 H new ATOM 0 HB1 ALA A 771 -5.045 3.401 3.801 1.00 0.00 H new ATOM 0 HB2 ALA A 771 -6.273 2.328 3.089 1.00 0.00 H new ATOM 0 HB3 ALA A 771 -6.140 2.478 4.857 1.00 0.00 H new ATOM 280 N THR A 772 -3.960 1.171 6.281 1.00 0.00 N ATOM 281 CA THR A 772 -3.057 1.259 7.419 1.00 0.00 C ATOM 282 C THR A 772 -1.873 0.315 7.234 1.00 0.00 C ATOM 283 O THR A 772 -0.733 0.679 7.512 1.00 0.00 O ATOM 284 CB THR A 772 -3.782 0.932 8.743 1.00 0.00 C ATOM 285 OG1 THR A 772 -4.927 1.783 8.896 1.00 0.00 O ATOM 286 CG2 THR A 772 -2.853 1.110 9.936 1.00 0.00 C ATOM 0 H THR A 772 -4.896 0.836 6.508 1.00 0.00 H new ATOM 0 HA THR A 772 -2.695 2.286 7.472 1.00 0.00 H new ATOM 0 HB THR A 772 -4.100 -0.110 8.706 1.00 0.00 H new ATOM 0 HG1 THR A 772 -5.715 1.342 8.515 1.00 0.00 H new ATOM 0 HG21 THR A 772 -3.390 0.873 10.854 1.00 0.00 H new ATOM 0 HG22 THR A 772 -1.997 0.443 9.834 1.00 0.00 H new ATOM 0 HG23 THR A 772 -2.505 2.142 9.975 1.00 0.00 H new ATOM 294 N ALA A 773 -2.149 -0.882 6.723 1.00 0.00 N ATOM 295 CA ALA A 773 -1.112 -1.880 6.500 1.00 0.00 C ATOM 296 C ALA A 773 -0.052 -1.363 5.533 1.00 0.00 C ATOM 297 O ALA A 773 1.142 -1.532 5.767 1.00 0.00 O ATOM 298 CB ALA A 773 -1.724 -3.173 5.980 1.00 0.00 C ATOM 0 H ALA A 773 -3.086 -1.183 6.455 1.00 0.00 H new ATOM 0 HA ALA A 773 -0.626 -2.083 7.454 1.00 0.00 H new ATOM 0 HB1 ALA A 773 -0.936 -3.909 5.818 1.00 0.00 H new ATOM 0 HB2 ALA A 773 -2.436 -3.558 6.710 1.00 0.00 H new ATOM 0 HB3 ALA A 773 -2.238 -2.979 5.039 1.00 0.00 H new ATOM 304 N VAL A 774 -0.492 -0.715 4.458 1.00 0.00 N ATOM 305 CA VAL A 774 0.429 -0.152 3.475 1.00 0.00 C ATOM 306 C VAL A 774 1.252 0.971 4.091 1.00 0.00 C ATOM 307 O VAL A 774 2.477 0.984 3.988 1.00 0.00 O ATOM 308 CB VAL A 774 -0.317 0.386 2.238 1.00 0.00 C ATOM 309 CG1 VAL A 774 0.652 1.020 1.249 1.00 0.00 C ATOM 310 CG2 VAL A 774 -1.101 -0.728 1.574 1.00 0.00 C ATOM 0 H VAL A 774 -1.479 -0.567 4.246 1.00 0.00 H new ATOM 0 HA VAL A 774 1.090 -0.959 3.158 1.00 0.00 H new ATOM 0 HB VAL A 774 -1.013 1.157 2.567 1.00 0.00 H new ATOM 0 HG11 VAL A 774 0.100 1.391 0.386 1.00 0.00 H new ATOM 0 HG12 VAL A 774 1.173 1.848 1.730 1.00 0.00 H new ATOM 0 HG13 VAL A 774 1.378 0.275 0.922 1.00 0.00 H new ATOM 0 HG21 VAL A 774 -1.623 -0.335 0.702 1.00 0.00 H new ATOM 0 HG22 VAL A 774 -0.418 -1.518 1.263 1.00 0.00 H new ATOM 0 HG23 VAL A 774 -1.826 -1.133 2.280 1.00 0.00 H new ATOM 320 N THR A 775 0.569 1.901 4.745 1.00 0.00 N ATOM 321 CA THR A 775 1.229 3.021 5.400 1.00 0.00 C ATOM 322 C THR A 775 2.233 2.528 6.445 1.00 0.00 C ATOM 323 O THR A 775 3.335 3.065 6.567 1.00 0.00 O ATOM 324 CB THR A 775 0.199 3.952 6.070 1.00 0.00 C ATOM 325 OG1 THR A 775 -0.899 4.185 5.175 1.00 0.00 O ATOM 326 CG2 THR A 775 0.830 5.282 6.455 1.00 0.00 C ATOM 0 H THR A 775 -0.447 1.901 4.836 1.00 0.00 H new ATOM 0 HA THR A 775 1.764 3.581 4.633 1.00 0.00 H new ATOM 0 HB THR A 775 -0.159 3.465 6.977 1.00 0.00 H new ATOM 0 HG1 THR A 775 -1.507 3.417 5.196 1.00 0.00 H new ATOM 0 HG21 THR A 775 0.080 5.918 6.925 1.00 0.00 H new ATOM 0 HG22 THR A 775 1.648 5.108 7.154 1.00 0.00 H new ATOM 0 HG23 THR A 775 1.215 5.774 5.562 1.00 0.00 H new ATOM 334 N GLN A 776 1.852 1.489 7.176 1.00 0.00 N ATOM 335 CA GLN A 776 2.710 0.914 8.199 1.00 0.00 C ATOM 336 C GLN A 776 3.891 0.185 7.569 1.00 0.00 C ATOM 337 O GLN A 776 5.029 0.361 7.996 1.00 0.00 O ATOM 338 CB GLN A 776 1.913 -0.040 9.087 1.00 0.00 C ATOM 339 CG GLN A 776 1.248 0.651 10.265 1.00 0.00 C ATOM 340 CD GLN A 776 2.234 0.984 11.365 1.00 0.00 C ATOM 341 OE1 GLN A 776 2.597 0.124 12.168 1.00 0.00 O ATOM 342 NE2 GLN A 776 2.674 2.231 11.408 1.00 0.00 N ATOM 0 H GLN A 776 0.949 1.026 7.077 1.00 0.00 H new ATOM 0 HA GLN A 776 3.097 1.726 8.814 1.00 0.00 H new ATOM 0 HB2 GLN A 776 1.149 -0.533 8.485 1.00 0.00 H new ATOM 0 HB3 GLN A 776 2.578 -0.819 9.460 1.00 0.00 H new ATOM 0 HG2 GLN A 776 0.766 1.567 9.922 1.00 0.00 H new ATOM 0 HG3 GLN A 776 0.463 0.009 10.665 1.00 0.00 H new ATOM 0 HE21 GLN A 776 2.346 2.911 10.722 1.00 0.00 H new ATOM 0 HE22 GLN A 776 3.341 2.512 12.127 1.00 0.00 H new ATOM 351 N ALA A 777 3.616 -0.622 6.548 1.00 0.00 N ATOM 352 CA ALA A 777 4.664 -1.353 5.843 1.00 0.00 C ATOM 353 C ALA A 777 5.667 -0.390 5.223 1.00 0.00 C ATOM 354 O ALA A 777 6.878 -0.603 5.289 1.00 0.00 O ATOM 355 CB ALA A 777 4.062 -2.254 4.772 1.00 0.00 C ATOM 0 H ALA A 777 2.675 -0.786 6.190 1.00 0.00 H new ATOM 0 HA ALA A 777 5.188 -1.978 6.566 1.00 0.00 H new ATOM 0 HB1 ALA A 777 4.859 -2.790 4.258 1.00 0.00 H new ATOM 0 HB2 ALA A 777 3.385 -2.970 5.237 1.00 0.00 H new ATOM 0 HB3 ALA A 777 3.511 -1.647 4.054 1.00 0.00 H new ATOM 361 N LEU A 778 5.150 0.677 4.630 1.00 0.00 N ATOM 362 CA LEU A 778 5.989 1.704 4.037 1.00 0.00 C ATOM 363 C LEU A 778 6.840 2.377 5.105 1.00 0.00 C ATOM 364 O LEU A 778 8.035 2.594 4.912 1.00 0.00 O ATOM 365 CB LEU A 778 5.132 2.745 3.322 1.00 0.00 C ATOM 366 CG LEU A 778 5.915 3.787 2.532 1.00 0.00 C ATOM 367 CD1 LEU A 778 6.083 3.342 1.090 1.00 0.00 C ATOM 368 CD2 LEU A 778 5.221 5.133 2.601 1.00 0.00 C ATOM 0 H LEU A 778 4.149 0.853 4.548 1.00 0.00 H new ATOM 0 HA LEU A 778 6.648 1.230 3.309 1.00 0.00 H new ATOM 0 HB2 LEU A 778 4.452 2.230 2.643 1.00 0.00 H new ATOM 0 HB3 LEU A 778 4.516 3.258 4.061 1.00 0.00 H new ATOM 0 HG LEU A 778 6.905 3.889 2.976 1.00 0.00 H new ATOM 0 HD11 LEU A 778 6.644 4.097 0.539 1.00 0.00 H new ATOM 0 HD12 LEU A 778 6.623 2.396 1.062 1.00 0.00 H new ATOM 0 HD13 LEU A 778 5.102 3.213 0.632 1.00 0.00 H new ATOM 0 HD21 LEU A 778 5.792 5.867 2.032 1.00 0.00 H new ATOM 0 HD22 LEU A 778 4.219 5.048 2.180 1.00 0.00 H new ATOM 0 HD23 LEU A 778 5.152 5.454 3.640 1.00 0.00 H new ATOM 380 N ASN A 779 6.217 2.695 6.234 1.00 0.00 N ATOM 381 CA ASN A 779 6.921 3.318 7.349 1.00 0.00 C ATOM 382 C ASN A 779 7.996 2.383 7.888 1.00 0.00 C ATOM 383 O ASN A 779 9.088 2.822 8.247 1.00 0.00 O ATOM 384 CB ASN A 779 5.941 3.691 8.466 1.00 0.00 C ATOM 385 CG ASN A 779 5.528 5.151 8.412 1.00 0.00 C ATOM 386 OD1 ASN A 779 6.297 6.043 8.780 1.00 0.00 O ATOM 387 ND2 ASN A 779 4.312 5.408 7.955 1.00 0.00 N ATOM 0 H ASN A 779 5.224 2.531 6.402 1.00 0.00 H new ATOM 0 HA ASN A 779 7.397 4.229 6.985 1.00 0.00 H new ATOM 0 HB2 ASN A 779 5.054 3.063 8.391 1.00 0.00 H new ATOM 0 HB3 ASN A 779 6.400 3.482 9.432 1.00 0.00 H new ATOM 0 HD21 ASN A 779 3.982 6.371 7.898 1.00 0.00 H new ATOM 0 HD22 ASN A 779 3.706 4.643 7.660 1.00 0.00 H new ATOM 394 N GLU A 780 7.686 1.088 7.913 1.00 0.00 N ATOM 395 CA GLU A 780 8.627 0.069 8.361 1.00 0.00 C ATOM 396 C GLU A 780 9.886 0.099 7.507 1.00 0.00 C ATOM 397 O GLU A 780 11.008 0.081 8.020 1.00 0.00 O ATOM 398 CB GLU A 780 7.990 -1.318 8.265 1.00 0.00 C ATOM 399 CG GLU A 780 7.164 -1.697 9.480 1.00 0.00 C ATOM 400 CD GLU A 780 7.949 -2.522 10.476 1.00 0.00 C ATOM 401 OE1 GLU A 780 9.118 -2.175 10.757 1.00 0.00 O ATOM 402 OE2 GLU A 780 7.406 -3.525 10.982 1.00 0.00 O ATOM 0 H GLU A 780 6.780 0.719 7.624 1.00 0.00 H new ATOM 0 HA GLU A 780 8.888 0.279 9.398 1.00 0.00 H new ATOM 0 HB2 GLU A 780 7.355 -1.356 7.380 1.00 0.00 H new ATOM 0 HB3 GLU A 780 8.776 -2.060 8.126 1.00 0.00 H new ATOM 0 HG2 GLU A 780 6.803 -0.791 9.967 1.00 0.00 H new ATOM 0 HG3 GLU A 780 6.286 -2.258 9.159 1.00 0.00 H new ATOM 409 N LEU A 781 9.685 0.143 6.200 1.00 0.00 N ATOM 410 CA LEU A 781 10.786 0.222 5.258 1.00 0.00 C ATOM 411 C LEU A 781 11.492 1.566 5.378 1.00 0.00 C ATOM 412 O LEU A 781 12.715 1.637 5.307 1.00 0.00 O ATOM 413 CB LEU A 781 10.269 0.019 3.833 1.00 0.00 C ATOM 414 CG LEU A 781 11.346 -0.004 2.751 1.00 0.00 C ATOM 415 CD1 LEU A 781 11.511 -1.410 2.197 1.00 0.00 C ATOM 416 CD2 LEU A 781 11.001 0.981 1.643 1.00 0.00 C ATOM 0 H LEU A 781 8.762 0.125 5.766 1.00 0.00 H new ATOM 0 HA LEU A 781 11.503 -0.566 5.489 1.00 0.00 H new ATOM 0 HB2 LEU A 781 9.716 -0.920 3.794 1.00 0.00 H new ATOM 0 HB3 LEU A 781 9.561 0.815 3.603 1.00 0.00 H new ATOM 0 HG LEU A 781 12.295 0.299 3.193 1.00 0.00 H new ATOM 0 HD11 LEU A 781 12.282 -1.409 1.427 1.00 0.00 H new ATOM 0 HD12 LEU A 781 11.802 -2.086 3.001 1.00 0.00 H new ATOM 0 HD13 LEU A 781 10.568 -1.744 1.765 1.00 0.00 H new ATOM 0 HD21 LEU A 781 11.777 0.955 0.878 1.00 0.00 H new ATOM 0 HD22 LEU A 781 10.044 0.708 1.199 1.00 0.00 H new ATOM 0 HD23 LEU A 781 10.935 1.987 2.058 1.00 0.00 H new ATOM 428 N LEU A 782 10.713 2.626 5.575 1.00 0.00 N ATOM 429 CA LEU A 782 11.253 3.979 5.685 1.00 0.00 C ATOM 430 C LEU A 782 12.301 4.074 6.790 1.00 0.00 C ATOM 431 O LEU A 782 13.426 4.512 6.544 1.00 0.00 O ATOM 432 CB LEU A 782 10.129 4.984 5.948 1.00 0.00 C ATOM 433 CG LEU A 782 9.591 5.692 4.705 1.00 0.00 C ATOM 434 CD1 LEU A 782 8.456 6.633 5.078 1.00 0.00 C ATOM 435 CD2 LEU A 782 10.705 6.452 4.000 1.00 0.00 C ATOM 0 H LEU A 782 9.698 2.573 5.662 1.00 0.00 H new ATOM 0 HA LEU A 782 11.735 4.218 4.737 1.00 0.00 H new ATOM 0 HB2 LEU A 782 9.305 4.465 6.437 1.00 0.00 H new ATOM 0 HB3 LEU A 782 10.492 5.737 6.648 1.00 0.00 H new ATOM 0 HG LEU A 782 9.202 4.938 4.020 1.00 0.00 H new ATOM 0 HD11 LEU A 782 8.085 7.129 4.181 1.00 0.00 H new ATOM 0 HD12 LEU A 782 7.648 6.064 5.539 1.00 0.00 H new ATOM 0 HD13 LEU A 782 8.820 7.381 5.782 1.00 0.00 H new ATOM 0 HD21 LEU A 782 10.304 6.950 3.117 1.00 0.00 H new ATOM 0 HD22 LEU A 782 11.123 7.196 4.678 1.00 0.00 H new ATOM 0 HD23 LEU A 782 11.487 5.755 3.699 1.00 0.00 H new ATOM 701 N ALA A 801 9.538 7.185 -4.252 1.00 0.00 N ATOM 702 CA ALA A 801 8.540 6.126 -4.244 1.00 0.00 C ATOM 703 C ALA A 801 7.775 6.102 -2.925 1.00 0.00 C ATOM 704 O ALA A 801 6.544 6.062 -2.918 1.00 0.00 O ATOM 705 CB ALA A 801 9.200 4.781 -4.506 1.00 0.00 C ATOM 0 HA ALA A 801 7.823 6.326 -5.041 1.00 0.00 H new ATOM 0 HB1 ALA A 801 8.443 3.997 -4.498 1.00 0.00 H new ATOM 0 HB2 ALA A 801 9.692 4.800 -5.479 1.00 0.00 H new ATOM 0 HB3 ALA A 801 9.939 4.581 -3.730 1.00 0.00 H new ATOM 711 N THR A 802 8.506 6.149 -1.815 1.00 0.00 N ATOM 712 CA THR A 802 7.893 6.134 -0.494 1.00 0.00 C ATOM 713 C THR A 802 6.987 7.347 -0.310 1.00 0.00 C ATOM 714 O THR A 802 5.881 7.243 0.226 1.00 0.00 O ATOM 715 CB THR A 802 8.970 6.130 0.607 1.00 0.00 C ATOM 716 OG1 THR A 802 10.112 6.871 0.165 1.00 0.00 O ATOM 717 CG2 THR A 802 9.391 4.709 0.949 1.00 0.00 C ATOM 0 H THR A 802 9.525 6.198 -1.806 1.00 0.00 H new ATOM 0 HA THR A 802 7.297 5.225 -0.413 1.00 0.00 H new ATOM 0 HB THR A 802 8.550 6.593 1.500 1.00 0.00 H new ATOM 0 HG1 THR A 802 10.795 6.869 0.867 1.00 0.00 H new ATOM 0 HG21 THR A 802 10.152 4.733 1.729 1.00 0.00 H new ATOM 0 HG22 THR A 802 8.526 4.149 1.303 1.00 0.00 H new ATOM 0 HG23 THR A 802 9.797 4.226 0.060 1.00 0.00 H new ATOM 725 N ASP A 803 7.464 8.490 -0.787 1.00 0.00 N ATOM 726 CA ASP A 803 6.722 9.741 -0.710 1.00 0.00 C ATOM 727 C ASP A 803 5.381 9.623 -1.427 1.00 0.00 C ATOM 728 O ASP A 803 4.330 9.954 -0.869 1.00 0.00 O ATOM 729 CB ASP A 803 7.542 10.870 -1.334 1.00 0.00 C ATOM 730 CG ASP A 803 7.014 12.240 -0.977 1.00 0.00 C ATOM 731 OD1 ASP A 803 7.437 12.788 0.064 1.00 0.00 O ATOM 732 OD2 ASP A 803 6.180 12.778 -1.735 1.00 0.00 O ATOM 0 H ASP A 803 8.375 8.575 -1.238 1.00 0.00 H new ATOM 0 HA ASP A 803 6.534 9.964 0.340 1.00 0.00 H new ATOM 0 HB2 ASP A 803 8.577 10.787 -1.004 1.00 0.00 H new ATOM 0 HB3 ASP A 803 7.543 10.757 -2.418 1.00 0.00 H new ATOM 737 N THR A 804 5.425 9.136 -2.659 1.00 0.00 N ATOM 738 CA THR A 804 4.228 8.987 -3.471 1.00 0.00 C ATOM 739 C THR A 804 3.226 8.032 -2.822 1.00 0.00 C ATOM 740 O THR A 804 2.046 8.361 -2.696 1.00 0.00 O ATOM 741 CB THR A 804 4.592 8.490 -4.881 1.00 0.00 C ATOM 742 OG1 THR A 804 5.643 9.304 -5.416 1.00 0.00 O ATOM 743 CG2 THR A 804 3.386 8.536 -5.809 1.00 0.00 C ATOM 0 H THR A 804 6.284 8.836 -3.120 1.00 0.00 H new ATOM 0 HA THR A 804 3.759 9.968 -3.548 1.00 0.00 H new ATOM 0 HB THR A 804 4.924 7.454 -4.806 1.00 0.00 H new ATOM 0 HG1 THR A 804 5.877 8.988 -6.313 1.00 0.00 H new ATOM 0 HG21 THR A 804 3.674 8.179 -6.798 1.00 0.00 H new ATOM 0 HG22 THR A 804 2.595 7.901 -5.410 1.00 0.00 H new ATOM 0 HG23 THR A 804 3.024 9.561 -5.885 1.00 0.00 H new ATOM 751 N ILE A 805 3.702 6.869 -2.384 1.00 0.00 N ATOM 752 CA ILE A 805 2.834 5.867 -1.768 1.00 0.00 C ATOM 753 C ILE A 805 2.129 6.433 -0.543 1.00 0.00 C ATOM 754 O ILE A 805 0.906 6.339 -0.424 1.00 0.00 O ATOM 755 CB ILE A 805 3.621 4.604 -1.367 1.00 0.00 C ATOM 756 CG1 ILE A 805 3.966 3.791 -2.607 1.00 0.00 C ATOM 757 CG2 ILE A 805 2.834 3.749 -0.378 1.00 0.00 C ATOM 758 CD1 ILE A 805 5.330 3.162 -2.533 1.00 0.00 C ATOM 0 H ILE A 805 4.683 6.597 -2.444 1.00 0.00 H new ATOM 0 HA ILE A 805 2.090 5.591 -2.515 1.00 0.00 H new ATOM 0 HB ILE A 805 4.541 4.920 -0.876 1.00 0.00 H new ATOM 0 HG12 ILE A 805 3.218 3.010 -2.743 1.00 0.00 H new ATOM 0 HG13 ILE A 805 3.916 4.436 -3.484 1.00 0.00 H new ATOM 0 HG21 ILE A 805 3.417 2.866 -0.116 1.00 0.00 H new ATOM 0 HG22 ILE A 805 2.629 4.329 0.522 1.00 0.00 H new ATOM 0 HG23 ILE A 805 1.893 3.440 -0.833 1.00 0.00 H new ATOM 0 HD11 ILE A 805 5.519 2.596 -3.445 1.00 0.00 H new ATOM 0 HD12 ILE A 805 6.085 3.941 -2.426 1.00 0.00 H new ATOM 0 HD13 ILE A 805 5.376 2.493 -1.674 1.00 0.00 H new ATOM 770 N LEU A 806 2.904 7.022 0.362 1.00 0.00 N ATOM 771 CA LEU A 806 2.344 7.628 1.569 1.00 0.00 C ATOM 772 C LEU A 806 1.231 8.604 1.220 1.00 0.00 C ATOM 773 O LEU A 806 0.132 8.513 1.759 1.00 0.00 O ATOM 774 CB LEU A 806 3.421 8.357 2.372 1.00 0.00 C ATOM 775 CG LEU A 806 3.509 7.968 3.851 1.00 0.00 C ATOM 776 CD1 LEU A 806 4.473 8.882 4.584 1.00 0.00 C ATOM 777 CD2 LEU A 806 2.138 8.019 4.507 1.00 0.00 C ATOM 0 H LEU A 806 3.919 7.094 0.285 1.00 0.00 H new ATOM 0 HA LEU A 806 1.936 6.820 2.177 1.00 0.00 H new ATOM 0 HB2 LEU A 806 4.388 8.170 1.906 1.00 0.00 H new ATOM 0 HB3 LEU A 806 3.237 9.429 2.305 1.00 0.00 H new ATOM 0 HG LEU A 806 3.881 6.945 3.910 1.00 0.00 H new ATOM 0 HD11 LEU A 806 4.523 8.591 5.633 1.00 0.00 H new ATOM 0 HD12 LEU A 806 5.464 8.800 4.137 1.00 0.00 H new ATOM 0 HD13 LEU A 806 4.126 9.912 4.509 1.00 0.00 H new ATOM 0 HD21 LEU A 806 2.226 7.739 5.557 1.00 0.00 H new ATOM 0 HD22 LEU A 806 1.737 9.030 4.434 1.00 0.00 H new ATOM 0 HD23 LEU A 806 1.467 7.325 4.001 1.00 0.00 H new ATOM 789 N THR A 807 1.518 9.522 0.308 1.00 0.00 N ATOM 790 CA THR A 807 0.543 10.523 -0.096 1.00 0.00 C ATOM 791 C THR A 807 -0.697 9.877 -0.711 1.00 0.00 C ATOM 792 O THR A 807 -1.820 10.276 -0.414 1.00 0.00 O ATOM 793 CB THR A 807 1.156 11.525 -1.091 1.00 0.00 C ATOM 794 OG1 THR A 807 2.484 11.873 -0.670 1.00 0.00 O ATOM 795 CG2 THR A 807 0.307 12.783 -1.187 1.00 0.00 C ATOM 0 H THR A 807 2.418 9.594 -0.166 1.00 0.00 H new ATOM 0 HA THR A 807 0.243 11.060 0.804 1.00 0.00 H new ATOM 0 HB THR A 807 1.192 11.055 -2.074 1.00 0.00 H new ATOM 0 HG1 THR A 807 3.128 11.257 -1.077 1.00 0.00 H new ATOM 0 HG21 THR A 807 0.761 13.475 -1.896 1.00 0.00 H new ATOM 0 HG22 THR A 807 -0.695 12.521 -1.527 1.00 0.00 H new ATOM 0 HG23 THR A 807 0.245 13.256 -0.207 1.00 0.00 H new ATOM 803 N VAL A 808 -0.489 8.868 -1.548 1.00 0.00 N ATOM 804 CA VAL A 808 -1.595 8.170 -2.192 1.00 0.00 C ATOM 805 C VAL A 808 -2.494 7.493 -1.155 1.00 0.00 C ATOM 806 O VAL A 808 -3.709 7.698 -1.145 1.00 0.00 O ATOM 807 CB VAL A 808 -1.077 7.122 -3.203 1.00 0.00 C ATOM 808 CG1 VAL A 808 -2.145 6.092 -3.524 1.00 0.00 C ATOM 809 CG2 VAL A 808 -0.597 7.803 -4.476 1.00 0.00 C ATOM 0 H VAL A 808 0.435 8.515 -1.797 1.00 0.00 H new ATOM 0 HA VAL A 808 -2.182 8.914 -2.731 1.00 0.00 H new ATOM 0 HB VAL A 808 -0.236 6.602 -2.745 1.00 0.00 H new ATOM 0 HG11 VAL A 808 -1.750 5.369 -4.238 1.00 0.00 H new ATOM 0 HG12 VAL A 808 -2.440 5.576 -2.610 1.00 0.00 H new ATOM 0 HG13 VAL A 808 -3.013 6.590 -3.955 1.00 0.00 H new ATOM 0 HG21 VAL A 808 -0.236 7.051 -5.177 1.00 0.00 H new ATOM 0 HG22 VAL A 808 -1.422 8.353 -4.928 1.00 0.00 H new ATOM 0 HG23 VAL A 808 0.211 8.494 -4.236 1.00 0.00 H new ATOM 819 N THR A 809 -1.888 6.703 -0.274 1.00 0.00 N ATOM 820 CA THR A 809 -2.635 6.011 0.767 1.00 0.00 C ATOM 821 C THR A 809 -3.297 7.012 1.710 1.00 0.00 C ATOM 822 O THR A 809 -4.444 6.828 2.127 1.00 0.00 O ATOM 823 CB THR A 809 -1.727 5.058 1.570 1.00 0.00 C ATOM 824 OG1 THR A 809 -0.714 4.511 0.713 1.00 0.00 O ATOM 825 CG2 THR A 809 -2.539 3.927 2.176 1.00 0.00 C ATOM 0 H THR A 809 -0.883 6.527 -0.261 1.00 0.00 H new ATOM 0 HA THR A 809 -3.407 5.418 0.277 1.00 0.00 H new ATOM 0 HB THR A 809 -1.260 5.626 2.374 1.00 0.00 H new ATOM 0 HG1 THR A 809 0.006 5.166 0.598 1.00 0.00 H new ATOM 0 HG21 THR A 809 -1.879 3.266 2.738 1.00 0.00 H new ATOM 0 HG22 THR A 809 -3.295 4.339 2.844 1.00 0.00 H new ATOM 0 HG23 THR A 809 -3.026 3.362 1.381 1.00 0.00 H new ATOM 833 N GLU A 810 -2.573 8.084 2.018 1.00 0.00 N ATOM 834 CA GLU A 810 -3.091 9.162 2.845 1.00 0.00 C ATOM 835 C GLU A 810 -4.334 9.777 2.198 1.00 0.00 C ATOM 836 O GLU A 810 -5.316 10.074 2.878 1.00 0.00 O ATOM 837 CB GLU A 810 -1.997 10.218 3.063 1.00 0.00 C ATOM 838 CG GLU A 810 -2.524 11.625 3.292 1.00 0.00 C ATOM 839 CD GLU A 810 -2.448 12.043 4.742 1.00 0.00 C ATOM 840 OE1 GLU A 810 -2.979 11.311 5.603 1.00 0.00 O ATOM 841 OE2 GLU A 810 -1.856 13.104 5.028 1.00 0.00 O ATOM 0 H GLU A 810 -1.614 8.227 1.701 1.00 0.00 H new ATOM 0 HA GLU A 810 -3.384 8.764 3.817 1.00 0.00 H new ATOM 0 HB2 GLU A 810 -1.391 9.925 3.921 1.00 0.00 H new ATOM 0 HB3 GLU A 810 -1.338 10.226 2.195 1.00 0.00 H new ATOM 0 HG2 GLU A 810 -1.952 12.327 2.685 1.00 0.00 H new ATOM 0 HG3 GLU A 810 -3.559 11.681 2.955 1.00 0.00 H new ATOM 848 N ASN A 811 -4.290 9.933 0.879 1.00 0.00 N ATOM 849 CA ASN A 811 -5.410 10.491 0.127 1.00 0.00 C ATOM 850 C ASN A 811 -6.635 9.592 0.234 1.00 0.00 C ATOM 851 O ASN A 811 -7.762 10.079 0.324 1.00 0.00 O ATOM 852 CB ASN A 811 -5.042 10.664 -1.348 1.00 0.00 C ATOM 853 CG ASN A 811 -4.189 11.890 -1.609 1.00 0.00 C ATOM 854 OD1 ASN A 811 -4.181 12.844 -0.827 1.00 0.00 O ATOM 855 ND2 ASN A 811 -3.465 11.873 -2.718 1.00 0.00 N ATOM 0 H ASN A 811 -3.486 9.679 0.305 1.00 0.00 H new ATOM 0 HA ASN A 811 -5.641 11.466 0.557 1.00 0.00 H new ATOM 0 HB2 ASN A 811 -4.507 9.778 -1.689 1.00 0.00 H new ATOM 0 HB3 ASN A 811 -5.956 10.732 -1.939 1.00 0.00 H new ATOM 0 HD21 ASN A 811 -2.872 12.669 -2.952 1.00 0.00 H new ATOM 0 HD22 ASN A 811 -3.501 11.064 -3.338 1.00 0.00 H new ATOM 862 N ILE A 812 -6.413 8.280 0.225 1.00 0.00 N ATOM 863 CA ILE A 812 -7.503 7.317 0.346 1.00 0.00 C ATOM 864 C ILE A 812 -8.229 7.499 1.677 1.00 0.00 C ATOM 865 O ILE A 812 -9.454 7.403 1.744 1.00 0.00 O ATOM 866 CB ILE A 812 -6.994 5.858 0.221 1.00 0.00 C ATOM 867 CG1 ILE A 812 -6.598 5.559 -1.226 1.00 0.00 C ATOM 868 CG2 ILE A 812 -8.051 4.864 0.691 1.00 0.00 C ATOM 869 CD1 ILE A 812 -5.291 4.809 -1.354 1.00 0.00 C ATOM 0 H ILE A 812 -5.488 7.860 0.135 1.00 0.00 H new ATOM 0 HA ILE A 812 -8.197 7.505 -0.473 1.00 0.00 H new ATOM 0 HB ILE A 812 -6.118 5.750 0.861 1.00 0.00 H new ATOM 0 HG12 ILE A 812 -7.389 4.976 -1.697 1.00 0.00 H new ATOM 0 HG13 ILE A 812 -6.524 6.498 -1.775 1.00 0.00 H new ATOM 0 HG21 ILE A 812 -7.666 3.849 0.592 1.00 0.00 H new ATOM 0 HG22 ILE A 812 -8.295 5.059 1.735 1.00 0.00 H new ATOM 0 HG23 ILE A 812 -8.949 4.972 0.082 1.00 0.00 H new ATOM 0 HD11 ILE A 812 -5.075 4.632 -2.408 1.00 0.00 H new ATOM 0 HD12 ILE A 812 -4.488 5.399 -0.913 1.00 0.00 H new ATOM 0 HD13 ILE A 812 -5.367 3.854 -0.834 1.00 0.00 H new ATOM 881 N PHE A 813 -7.466 7.785 2.726 1.00 0.00 N ATOM 882 CA PHE A 813 -8.036 8.010 4.049 1.00 0.00 C ATOM 883 C PHE A 813 -8.960 9.225 4.040 1.00 0.00 C ATOM 884 O PHE A 813 -10.062 9.186 4.590 1.00 0.00 O ATOM 885 CB PHE A 813 -6.927 8.215 5.083 1.00 0.00 C ATOM 886 CG PHE A 813 -6.322 6.935 5.581 1.00 0.00 C ATOM 887 CD1 PHE A 813 -7.069 6.048 6.338 1.00 0.00 C ATOM 888 CD2 PHE A 813 -5.005 6.622 5.291 1.00 0.00 C ATOM 889 CE1 PHE A 813 -6.512 4.870 6.796 1.00 0.00 C ATOM 890 CE2 PHE A 813 -4.443 5.446 5.748 1.00 0.00 C ATOM 891 CZ PHE A 813 -5.197 4.569 6.500 1.00 0.00 C ATOM 0 H PHE A 813 -6.450 7.867 2.686 1.00 0.00 H new ATOM 0 HA PHE A 813 -8.617 7.128 4.319 1.00 0.00 H new ATOM 0 HB2 PHE A 813 -6.142 8.831 4.644 1.00 0.00 H new ATOM 0 HB3 PHE A 813 -7.330 8.770 5.930 1.00 0.00 H new ATOM 0 HD1 PHE A 813 -8.097 6.280 6.573 1.00 0.00 H new ATOM 0 HD2 PHE A 813 -4.411 7.304 4.701 1.00 0.00 H new ATOM 0 HE1 PHE A 813 -7.104 4.185 7.385 1.00 0.00 H new ATOM 0 HE2 PHE A 813 -3.414 5.213 5.517 1.00 0.00 H new ATOM 0 HZ PHE A 813 -4.760 3.648 6.857 1.00 0.00 H new ATOM 901 N SER A 814 -8.504 10.297 3.410 1.00 0.00 N ATOM 902 CA SER A 814 -9.272 11.531 3.327 1.00 0.00 C ATOM 903 C SER A 814 -10.479 11.380 2.400 1.00 0.00 C ATOM 904 O SER A 814 -11.502 12.044 2.579 1.00 0.00 O ATOM 905 CB SER A 814 -8.366 12.654 2.829 1.00 0.00 C ATOM 906 OG SER A 814 -7.004 12.262 2.888 1.00 0.00 O ATOM 0 H SER A 814 -7.597 10.337 2.945 1.00 0.00 H new ATOM 0 HA SER A 814 -9.649 11.770 4.321 1.00 0.00 H new ATOM 0 HB2 SER A 814 -8.631 12.914 1.804 1.00 0.00 H new ATOM 0 HB3 SER A 814 -8.519 13.547 3.434 1.00 0.00 H new ATOM 0 HG SER A 814 -6.439 12.994 2.563 1.00 0.00 H new ATOM 912 N SER A 815 -10.359 10.504 1.413 1.00 0.00 N ATOM 913 CA SER A 815 -11.418 10.313 0.432 1.00 0.00 C ATOM 914 C SER A 815 -12.195 9.026 0.697 1.00 0.00 C ATOM 915 O SER A 815 -12.824 8.474 -0.206 1.00 0.00 O ATOM 916 CB SER A 815 -10.825 10.295 -0.978 1.00 0.00 C ATOM 917 OG SER A 815 -9.741 11.206 -1.085 1.00 0.00 O ATOM 0 H SER A 815 -9.539 9.914 1.270 1.00 0.00 H new ATOM 0 HA SER A 815 -12.116 11.146 0.518 1.00 0.00 H new ATOM 0 HB2 SER A 815 -10.484 9.288 -1.220 1.00 0.00 H new ATOM 0 HB3 SER A 815 -11.596 10.554 -1.704 1.00 0.00 H new ATOM 0 HG SER A 815 -8.948 10.823 -0.655 1.00 0.00 H new ATOM 923 N MET A 816 -12.145 8.555 1.938 1.00 0.00 N ATOM 924 CA MET A 816 -12.874 7.355 2.338 1.00 0.00 C ATOM 925 C MET A 816 -14.374 7.580 2.192 1.00 0.00 C ATOM 926 O MET A 816 -15.002 8.242 3.021 1.00 0.00 O ATOM 927 CB MET A 816 -12.538 6.982 3.783 1.00 0.00 C ATOM 928 CG MET A 816 -12.384 5.487 4.003 1.00 0.00 C ATOM 929 SD MET A 816 -11.630 5.094 5.593 1.00 0.00 S ATOM 930 CE MET A 816 -10.158 4.230 5.056 1.00 0.00 C ATOM 0 H MET A 816 -11.605 8.987 2.688 1.00 0.00 H new ATOM 0 HA MET A 816 -12.574 6.534 1.687 1.00 0.00 H new ATOM 0 HB2 MET A 816 -11.613 7.481 4.073 1.00 0.00 H new ATOM 0 HB3 MET A 816 -13.323 7.359 4.439 1.00 0.00 H new ATOM 0 HG2 MET A 816 -13.363 5.012 3.942 1.00 0.00 H new ATOM 0 HG3 MET A 816 -11.775 5.067 3.203 1.00 0.00 H new ATOM 0 HE1 MET A 816 -9.415 4.247 5.853 1.00 0.00 H new ATOM 0 HE2 MET A 816 -10.409 3.197 4.817 1.00 0.00 H new ATOM 0 HE3 MET A 816 -9.752 4.719 4.170 1.00 0.00 H new ATOM 940 N GLY A 817 -14.935 7.035 1.128 1.00 0.00 N ATOM 941 CA GLY A 817 -16.334 7.240 0.830 1.00 0.00 C ATOM 942 C GLY A 817 -16.540 7.527 -0.639 1.00 0.00 C ATOM 943 O GLY A 817 -17.554 7.140 -1.223 1.00 0.00 O ATOM 0 H GLY A 817 -14.440 6.447 0.457 1.00 0.00 H new ATOM 0 HA2 GLY A 817 -16.903 6.355 1.114 1.00 0.00 H new ATOM 0 HA3 GLY A 817 -16.718 8.070 1.423 1.00 0.00 H new ATOM 947 N ASP A 818 -15.565 8.202 -1.235 1.00 0.00 N ATOM 948 CA ASP A 818 -15.576 8.469 -2.668 1.00 0.00 C ATOM 949 C ASP A 818 -14.922 7.306 -3.400 1.00 0.00 C ATOM 950 O ASP A 818 -13.717 7.318 -3.653 1.00 0.00 O ATOM 951 CB ASP A 818 -14.840 9.778 -2.984 1.00 0.00 C ATOM 952 CG ASP A 818 -15.122 10.294 -4.387 1.00 0.00 C ATOM 953 OD1 ASP A 818 -15.790 9.586 -5.175 1.00 0.00 O ATOM 954 OD2 ASP A 818 -14.684 11.421 -4.709 1.00 0.00 O ATOM 0 H ASP A 818 -14.752 8.576 -0.745 1.00 0.00 H new ATOM 0 HA ASP A 818 -16.608 8.575 -3.001 1.00 0.00 H new ATOM 0 HB2 ASP A 818 -15.132 10.537 -2.258 1.00 0.00 H new ATOM 0 HB3 ASP A 818 -13.767 9.622 -2.869 1.00 0.00 H new ATOM 959 N ALA A 819 -15.731 6.303 -3.719 1.00 0.00 N ATOM 960 CA ALA A 819 -15.254 5.070 -4.340 1.00 0.00 C ATOM 961 C ALA A 819 -14.438 5.346 -5.600 1.00 0.00 C ATOM 962 O ALA A 819 -13.385 4.741 -5.808 1.00 0.00 O ATOM 963 CB ALA A 819 -16.433 4.165 -4.662 1.00 0.00 C ATOM 0 H ALA A 819 -16.738 6.320 -3.555 1.00 0.00 H new ATOM 0 HA ALA A 819 -14.595 4.571 -3.629 1.00 0.00 H new ATOM 0 HB1 ALA A 819 -16.071 3.247 -5.125 1.00 0.00 H new ATOM 0 HB2 ALA A 819 -16.967 3.922 -3.743 1.00 0.00 H new ATOM 0 HB3 ALA A 819 -17.107 4.676 -5.349 1.00 0.00 H new ATOM 969 N GLY A 820 -14.920 6.275 -6.422 1.00 0.00 N ATOM 970 CA GLY A 820 -14.229 6.614 -7.655 1.00 0.00 C ATOM 971 C GLY A 820 -12.821 7.127 -7.412 1.00 0.00 C ATOM 972 O GLY A 820 -11.875 6.714 -8.090 1.00 0.00 O ATOM 0 H GLY A 820 -15.779 6.800 -6.256 1.00 0.00 H new ATOM 0 HA2 GLY A 820 -14.186 5.734 -8.297 1.00 0.00 H new ATOM 0 HA3 GLY A 820 -14.800 7.372 -8.191 1.00 0.00 H new ATOM 976 N GLU A 821 -12.683 8.013 -6.433 1.00 0.00 N ATOM 977 CA GLU A 821 -11.385 8.577 -6.087 1.00 0.00 C ATOM 978 C GLU A 821 -10.526 7.542 -5.370 1.00 0.00 C ATOM 979 O GLU A 821 -9.327 7.431 -5.623 1.00 0.00 O ATOM 980 CB GLU A 821 -11.562 9.814 -5.204 1.00 0.00 C ATOM 981 CG GLU A 821 -10.251 10.404 -4.712 1.00 0.00 C ATOM 982 CD GLU A 821 -9.729 11.492 -5.621 1.00 0.00 C ATOM 983 OE1 GLU A 821 -10.417 12.522 -5.776 1.00 0.00 O ATOM 984 OE2 GLU A 821 -8.623 11.330 -6.179 1.00 0.00 O ATOM 0 H GLU A 821 -13.456 8.357 -5.864 1.00 0.00 H new ATOM 0 HA GLU A 821 -10.881 8.870 -7.008 1.00 0.00 H new ATOM 0 HB2 GLU A 821 -12.105 10.575 -5.764 1.00 0.00 H new ATOM 0 HB3 GLU A 821 -12.178 9.551 -4.344 1.00 0.00 H new ATOM 0 HG2 GLU A 821 -10.392 10.809 -3.710 1.00 0.00 H new ATOM 0 HG3 GLU A 821 -9.506 9.612 -4.634 1.00 0.00 H new ATOM 991 N MET A 822 -11.153 6.784 -4.479 1.00 0.00 N ATOM 992 CA MET A 822 -10.457 5.755 -3.720 1.00 0.00 C ATOM 993 C MET A 822 -9.831 4.732 -4.655 1.00 0.00 C ATOM 994 O MET A 822 -8.663 4.375 -4.505 1.00 0.00 O ATOM 995 CB MET A 822 -11.420 5.061 -2.760 1.00 0.00 C ATOM 996 CG MET A 822 -11.482 5.705 -1.385 1.00 0.00 C ATOM 997 SD MET A 822 -12.867 5.099 -0.404 1.00 0.00 S ATOM 998 CE MET A 822 -12.694 3.333 -0.645 1.00 0.00 C ATOM 0 H MET A 822 -12.147 6.864 -4.264 1.00 0.00 H new ATOM 0 HA MET A 822 -9.665 6.233 -3.144 1.00 0.00 H new ATOM 0 HB2 MET A 822 -12.418 5.062 -3.197 1.00 0.00 H new ATOM 0 HB3 MET A 822 -11.121 4.019 -2.650 1.00 0.00 H new ATOM 0 HG2 MET A 822 -10.551 5.510 -0.853 1.00 0.00 H new ATOM 0 HG3 MET A 822 -11.565 6.786 -1.497 1.00 0.00 H new ATOM 0 HE1 MET A 822 -13.223 2.804 0.148 1.00 0.00 H new ATOM 0 HE2 MET A 822 -13.115 3.055 -1.611 1.00 0.00 H new ATOM 0 HE3 MET A 822 -11.638 3.064 -0.619 1.00 0.00 H new ATOM 1008 N VAL A 823 -10.613 4.274 -5.627 1.00 0.00 N ATOM 1009 CA VAL A 823 -10.128 3.335 -6.629 1.00 0.00 C ATOM 1010 C VAL A 823 -9.016 3.970 -7.457 1.00 0.00 C ATOM 1011 O VAL A 823 -8.008 3.328 -7.754 1.00 0.00 O ATOM 1012 CB VAL A 823 -11.275 2.860 -7.553 1.00 0.00 C ATOM 1013 CG1 VAL A 823 -10.754 2.386 -8.902 1.00 0.00 C ATOM 1014 CG2 VAL A 823 -12.069 1.757 -6.879 1.00 0.00 C ATOM 0 H VAL A 823 -11.591 4.541 -5.741 1.00 0.00 H new ATOM 0 HA VAL A 823 -9.730 2.465 -6.107 1.00 0.00 H new ATOM 0 HB VAL A 823 -11.928 3.714 -7.734 1.00 0.00 H new ATOM 0 HG11 VAL A 823 -11.590 2.061 -9.521 1.00 0.00 H new ATOM 0 HG12 VAL A 823 -10.232 3.204 -9.398 1.00 0.00 H new ATOM 0 HG13 VAL A 823 -10.067 1.553 -8.754 1.00 0.00 H new ATOM 0 HG21 VAL A 823 -12.873 1.432 -7.539 1.00 0.00 H new ATOM 0 HG22 VAL A 823 -11.412 0.914 -6.665 1.00 0.00 H new ATOM 0 HG23 VAL A 823 -12.494 2.131 -5.948 1.00 0.00 H new ATOM 1024 N ARG A 824 -9.200 5.240 -7.808 1.00 0.00 N ATOM 1025 CA ARG A 824 -8.199 5.984 -8.560 1.00 0.00 C ATOM 1026 C ARG A 824 -6.857 5.955 -7.838 1.00 0.00 C ATOM 1027 O ARG A 824 -5.845 5.546 -8.407 1.00 0.00 O ATOM 1028 CB ARG A 824 -8.649 7.434 -8.761 1.00 0.00 C ATOM 1029 CG ARG A 824 -7.642 8.283 -9.516 1.00 0.00 C ATOM 1030 CD ARG A 824 -7.630 9.716 -9.011 1.00 0.00 C ATOM 1031 NE ARG A 824 -7.884 10.672 -10.085 1.00 0.00 N ATOM 1032 CZ ARG A 824 -8.344 11.905 -9.891 1.00 0.00 C ATOM 1033 NH1 ARG A 824 -8.634 12.324 -8.668 1.00 0.00 N ATOM 1034 NH2 ARG A 824 -8.525 12.719 -10.922 1.00 0.00 N ATOM 0 H ARG A 824 -10.038 5.776 -7.581 1.00 0.00 H new ATOM 0 HA ARG A 824 -8.085 5.511 -9.535 1.00 0.00 H new ATOM 0 HB2 ARG A 824 -9.595 7.440 -9.302 1.00 0.00 H new ATOM 0 HB3 ARG A 824 -8.835 7.886 -7.787 1.00 0.00 H new ATOM 0 HG2 ARG A 824 -6.647 7.850 -9.409 1.00 0.00 H new ATOM 0 HG3 ARG A 824 -7.881 8.273 -10.579 1.00 0.00 H new ATOM 0 HD2 ARG A 824 -8.385 9.834 -8.234 1.00 0.00 H new ATOM 0 HD3 ARG A 824 -6.665 9.932 -8.553 1.00 0.00 H new ATOM 0 HE ARG A 824 -7.697 10.376 -11.043 1.00 0.00 H new ATOM 0 HH11 ARG A 824 -8.505 11.700 -7.871 1.00 0.00 H new ATOM 0 HH12 ARG A 824 -8.986 13.270 -8.523 1.00 0.00 H new ATOM 0 HH21 ARG A 824 -8.311 12.400 -11.867 1.00 0.00 H new ATOM 0 HH22 ARG A 824 -8.878 13.664 -10.770 1.00 0.00 H new ATOM 1048 N GLN A 825 -6.862 6.375 -6.577 1.00 0.00 N ATOM 1049 CA GLN A 825 -5.645 6.407 -5.781 1.00 0.00 C ATOM 1050 C GLN A 825 -5.097 4.997 -5.578 1.00 0.00 C ATOM 1051 O GLN A 825 -3.893 4.778 -5.659 1.00 0.00 O ATOM 1052 CB GLN A 825 -5.906 7.082 -4.433 1.00 0.00 C ATOM 1053 CG GLN A 825 -6.550 8.456 -4.552 1.00 0.00 C ATOM 1054 CD GLN A 825 -5.565 9.540 -4.949 1.00 0.00 C ATOM 1055 OE1 GLN A 825 -4.369 9.444 -4.672 1.00 0.00 O ATOM 1056 NE2 GLN A 825 -6.062 10.584 -5.594 1.00 0.00 N ATOM 0 H GLN A 825 -7.696 6.697 -6.086 1.00 0.00 H new ATOM 0 HA GLN A 825 -4.897 6.989 -6.320 1.00 0.00 H new ATOM 0 HB2 GLN A 825 -6.550 6.439 -3.833 1.00 0.00 H new ATOM 0 HB3 GLN A 825 -4.962 7.178 -3.896 1.00 0.00 H new ATOM 0 HG2 GLN A 825 -7.351 8.413 -5.290 1.00 0.00 H new ATOM 0 HG3 GLN A 825 -7.008 8.720 -3.599 1.00 0.00 H new ATOM 0 HE21 GLN A 825 -7.059 10.626 -5.805 1.00 0.00 H new ATOM 0 HE22 GLN A 825 -5.448 11.346 -5.880 1.00 0.00 H new ATOM 1065 N ALA A 826 -5.985 4.038 -5.337 1.00 0.00 N ATOM 1066 CA ALA A 826 -5.579 2.647 -5.150 1.00 0.00 C ATOM 1067 C ALA A 826 -4.852 2.118 -6.384 1.00 0.00 C ATOM 1068 O ALA A 826 -3.852 1.406 -6.272 1.00 0.00 O ATOM 1069 CB ALA A 826 -6.786 1.777 -4.833 1.00 0.00 C ATOM 0 H ALA A 826 -6.990 4.197 -5.266 1.00 0.00 H new ATOM 0 HA ALA A 826 -4.889 2.608 -4.307 1.00 0.00 H new ATOM 0 HB1 ALA A 826 -6.465 0.744 -4.697 1.00 0.00 H new ATOM 0 HB2 ALA A 826 -7.261 2.133 -3.919 1.00 0.00 H new ATOM 0 HB3 ALA A 826 -7.499 1.830 -5.656 1.00 0.00 H new ATOM 1075 N ARG A 827 -5.356 2.477 -7.560 1.00 0.00 N ATOM 1076 CA ARG A 827 -4.735 2.072 -8.815 1.00 0.00 C ATOM 1077 C ARG A 827 -3.332 2.656 -8.926 1.00 0.00 C ATOM 1078 O ARG A 827 -2.407 1.991 -9.396 1.00 0.00 O ATOM 1079 CB ARG A 827 -5.590 2.513 -10.005 1.00 0.00 C ATOM 1080 CG ARG A 827 -6.824 1.648 -10.217 1.00 0.00 C ATOM 1081 CD ARG A 827 -7.439 1.871 -11.590 1.00 0.00 C ATOM 1082 NE ARG A 827 -6.698 1.175 -12.639 1.00 0.00 N ATOM 1083 CZ ARG A 827 -6.900 -0.096 -12.988 1.00 0.00 C ATOM 1084 NH1 ARG A 827 -7.861 -0.812 -12.413 1.00 0.00 N ATOM 1085 NH2 ARG A 827 -6.144 -0.640 -13.932 1.00 0.00 N ATOM 0 H ARG A 827 -6.194 3.048 -7.670 1.00 0.00 H new ATOM 0 HA ARG A 827 -4.662 0.985 -8.827 1.00 0.00 H new ATOM 0 HB2 ARG A 827 -5.902 3.547 -9.856 1.00 0.00 H new ATOM 0 HB3 ARG A 827 -4.981 2.491 -10.908 1.00 0.00 H new ATOM 0 HG2 ARG A 827 -6.556 0.598 -10.105 1.00 0.00 H new ATOM 0 HG3 ARG A 827 -7.562 1.872 -9.447 1.00 0.00 H new ATOM 0 HD2 ARG A 827 -8.473 1.525 -11.585 1.00 0.00 H new ATOM 0 HD3 ARG A 827 -7.461 2.939 -11.809 1.00 0.00 H new ATOM 0 HE ARG A 827 -5.977 1.696 -13.138 1.00 0.00 H new ATOM 0 HH11 ARG A 827 -8.453 -0.390 -11.697 1.00 0.00 H new ATOM 0 HH12 ARG A 827 -8.007 -1.783 -12.688 1.00 0.00 H new ATOM 0 HH21 ARG A 827 -5.416 -0.087 -14.384 1.00 0.00 H new ATOM 0 HH22 ARG A 827 -6.291 -1.611 -14.206 1.00 0.00 H new ATOM 1099 N ILE A 828 -3.177 3.899 -8.482 1.00 0.00 N ATOM 1100 CA ILE A 828 -1.870 4.544 -8.452 1.00 0.00 C ATOM 1101 C ILE A 828 -0.967 3.863 -7.425 1.00 0.00 C ATOM 1102 O ILE A 828 0.208 3.608 -7.690 1.00 0.00 O ATOM 1103 CB ILE A 828 -1.986 6.049 -8.114 1.00 0.00 C ATOM 1104 CG1 ILE A 828 -2.907 6.753 -9.114 1.00 0.00 C ATOM 1105 CG2 ILE A 828 -0.613 6.708 -8.107 1.00 0.00 C ATOM 1106 CD1 ILE A 828 -3.634 7.946 -8.532 1.00 0.00 C ATOM 0 H ILE A 828 -3.941 4.480 -8.138 1.00 0.00 H new ATOM 0 HA ILE A 828 -1.435 4.447 -9.447 1.00 0.00 H new ATOM 0 HB ILE A 828 -2.417 6.141 -7.117 1.00 0.00 H new ATOM 0 HG12 ILE A 828 -2.317 7.080 -9.971 1.00 0.00 H new ATOM 0 HG13 ILE A 828 -3.640 6.037 -9.486 1.00 0.00 H new ATOM 0 HG21 ILE A 828 -0.718 7.766 -7.867 1.00 0.00 H new ATOM 0 HG22 ILE A 828 0.017 6.227 -7.359 1.00 0.00 H new ATOM 0 HG23 ILE A 828 -0.154 6.603 -9.090 1.00 0.00 H new ATOM 0 HD11 ILE A 828 -4.268 8.395 -9.297 1.00 0.00 H new ATOM 0 HD12 ILE A 828 -4.251 7.623 -7.694 1.00 0.00 H new ATOM 0 HD13 ILE A 828 -2.908 8.681 -8.186 1.00 0.00 H new ATOM 1118 N LEU A 829 -1.539 3.562 -6.263 1.00 0.00 N ATOM 1119 CA LEU A 829 -0.816 2.903 -5.178 1.00 0.00 C ATOM 1120 C LEU A 829 -0.177 1.602 -5.653 1.00 0.00 C ATOM 1121 O LEU A 829 1.008 1.367 -5.424 1.00 0.00 O ATOM 1122 CB LEU A 829 -1.768 2.621 -4.007 1.00 0.00 C ATOM 1123 CG LEU A 829 -1.119 2.040 -2.746 1.00 0.00 C ATOM 1124 CD1 LEU A 829 0.168 2.778 -2.410 1.00 0.00 C ATOM 1125 CD2 LEU A 829 -2.088 2.108 -1.577 1.00 0.00 C ATOM 0 H LEU A 829 -2.514 3.767 -6.046 1.00 0.00 H new ATOM 0 HA LEU A 829 -0.022 3.571 -4.845 1.00 0.00 H new ATOM 0 HB2 LEU A 829 -2.270 3.551 -3.739 1.00 0.00 H new ATOM 0 HB3 LEU A 829 -2.539 1.930 -4.348 1.00 0.00 H new ATOM 0 HG LEU A 829 -0.872 0.996 -2.938 1.00 0.00 H new ATOM 0 HD11 LEU A 829 0.610 2.348 -1.511 1.00 0.00 H new ATOM 0 HD12 LEU A 829 0.869 2.684 -3.240 1.00 0.00 H new ATOM 0 HD13 LEU A 829 -0.051 3.832 -2.238 1.00 0.00 H new ATOM 0 HD21 LEU A 829 -1.615 1.692 -0.687 1.00 0.00 H new ATOM 0 HD22 LEU A 829 -2.361 3.147 -1.391 1.00 0.00 H new ATOM 0 HD23 LEU A 829 -2.984 1.534 -1.813 1.00 0.00 H new ATOM 1137 N ALA A 830 -0.966 0.775 -6.331 1.00 0.00 N ATOM 1138 CA ALA A 830 -0.483 -0.503 -6.840 1.00 0.00 C ATOM 1139 C ALA A 830 0.767 -0.317 -7.695 1.00 0.00 C ATOM 1140 O ALA A 830 1.763 -1.020 -7.523 1.00 0.00 O ATOM 1141 CB ALA A 830 -1.576 -1.196 -7.639 1.00 0.00 C ATOM 0 H ALA A 830 -1.945 0.968 -6.541 1.00 0.00 H new ATOM 0 HA ALA A 830 -0.217 -1.130 -5.989 1.00 0.00 H new ATOM 0 HB1 ALA A 830 -1.204 -2.149 -8.014 1.00 0.00 H new ATOM 0 HB2 ALA A 830 -2.440 -1.371 -6.998 1.00 0.00 H new ATOM 0 HB3 ALA A 830 -1.869 -0.565 -8.478 1.00 0.00 H new ATOM 1147 N GLN A 831 0.717 0.652 -8.601 1.00 0.00 N ATOM 1148 CA GLN A 831 1.844 0.932 -9.479 1.00 0.00 C ATOM 1149 C GLN A 831 3.023 1.494 -8.690 1.00 0.00 C ATOM 1150 O GLN A 831 4.167 1.083 -8.887 1.00 0.00 O ATOM 1151 CB GLN A 831 1.434 1.914 -10.576 1.00 0.00 C ATOM 1152 CG GLN A 831 1.716 1.405 -11.979 1.00 0.00 C ATOM 1153 CD GLN A 831 0.683 0.399 -12.455 1.00 0.00 C ATOM 1154 OE1 GLN A 831 -0.482 0.447 -12.057 1.00 0.00 O ATOM 1155 NE2 GLN A 831 1.097 -0.519 -13.312 1.00 0.00 N ATOM 0 H GLN A 831 -0.092 1.256 -8.746 1.00 0.00 H new ATOM 0 HA GLN A 831 2.153 -0.006 -9.940 1.00 0.00 H new ATOM 0 HB2 GLN A 831 0.369 2.128 -10.482 1.00 0.00 H new ATOM 0 HB3 GLN A 831 1.962 2.856 -10.426 1.00 0.00 H new ATOM 0 HG2 GLN A 831 1.741 2.248 -12.669 1.00 0.00 H new ATOM 0 HG3 GLN A 831 2.704 0.945 -12.003 1.00 0.00 H new ATOM 0 HE21 GLN A 831 2.069 -0.528 -13.620 1.00 0.00 H new ATOM 0 HE22 GLN A 831 0.444 -1.218 -13.666 1.00 0.00 H new ATOM 1164 N ALA A 832 2.731 2.418 -7.783 1.00 0.00 N ATOM 1165 CA ALA A 832 3.765 3.084 -7.001 1.00 0.00 C ATOM 1166 C ALA A 832 4.553 2.092 -6.149 1.00 0.00 C ATOM 1167 O ALA A 832 5.784 2.131 -6.120 1.00 0.00 O ATOM 1168 CB ALA A 832 3.149 4.166 -6.126 1.00 0.00 C ATOM 0 H ALA A 832 1.782 2.724 -7.570 1.00 0.00 H new ATOM 0 HA ALA A 832 4.464 3.546 -7.698 1.00 0.00 H new ATOM 0 HB1 ALA A 832 3.932 4.656 -5.547 1.00 0.00 H new ATOM 0 HB2 ALA A 832 2.649 4.902 -6.755 1.00 0.00 H new ATOM 0 HB3 ALA A 832 2.424 3.716 -5.448 1.00 0.00 H new ATOM 1174 N THR A 833 3.849 1.202 -5.461 1.00 0.00 N ATOM 1175 CA THR A 833 4.502 0.202 -4.629 1.00 0.00 C ATOM 1176 C THR A 833 5.298 -0.789 -5.474 1.00 0.00 C ATOM 1177 O THR A 833 6.374 -1.232 -5.072 1.00 0.00 O ATOM 1178 CB THR A 833 3.487 -0.559 -3.761 1.00 0.00 C ATOM 1179 OG1 THR A 833 2.613 0.368 -3.112 1.00 0.00 O ATOM 1180 CG2 THR A 833 4.202 -1.406 -2.719 1.00 0.00 C ATOM 0 H THR A 833 2.830 1.153 -5.463 1.00 0.00 H new ATOM 0 HA THR A 833 5.189 0.737 -3.973 1.00 0.00 H new ATOM 0 HB THR A 833 2.904 -1.217 -4.405 1.00 0.00 H new ATOM 0 HG1 THR A 833 2.044 -0.111 -2.474 1.00 0.00 H new ATOM 0 HG21 THR A 833 3.466 -1.937 -2.115 1.00 0.00 H new ATOM 0 HG22 THR A 833 4.850 -2.127 -3.218 1.00 0.00 H new ATOM 0 HG23 THR A 833 4.803 -0.762 -2.077 1.00 0.00 H new ATOM 1188 N SER A 834 4.775 -1.125 -6.650 1.00 0.00 N ATOM 1189 CA SER A 834 5.482 -2.014 -7.565 1.00 0.00 C ATOM 1190 C SER A 834 6.833 -1.411 -7.944 1.00 0.00 C ATOM 1191 O SER A 834 7.837 -2.117 -8.042 1.00 0.00 O ATOM 1192 CB SER A 834 4.642 -2.274 -8.820 1.00 0.00 C ATOM 1193 OG SER A 834 3.383 -2.839 -8.484 1.00 0.00 O ATOM 0 H SER A 834 3.871 -0.798 -6.990 1.00 0.00 H new ATOM 0 HA SER A 834 5.651 -2.967 -7.063 1.00 0.00 H new ATOM 0 HB2 SER A 834 4.492 -1.340 -9.361 1.00 0.00 H new ATOM 0 HB3 SER A 834 5.179 -2.947 -9.488 1.00 0.00 H new ATOM 0 HG SER A 834 2.775 -2.130 -8.186 1.00 0.00 H new ATOM 1199 N ASP A 835 6.851 -0.093 -8.121 1.00 0.00 N ATOM 1200 CA ASP A 835 8.080 0.622 -8.435 1.00 0.00 C ATOM 1201 C ASP A 835 9.025 0.599 -7.241 1.00 0.00 C ATOM 1202 O ASP A 835 10.227 0.381 -7.392 1.00 0.00 O ATOM 1203 CB ASP A 835 7.775 2.068 -8.825 1.00 0.00 C ATOM 1204 CG ASP A 835 7.990 2.333 -10.300 1.00 0.00 C ATOM 1205 OD1 ASP A 835 8.988 1.839 -10.863 1.00 0.00 O ATOM 1206 OD2 ASP A 835 7.150 3.032 -10.909 1.00 0.00 O ATOM 0 H ASP A 835 6.025 0.501 -8.052 1.00 0.00 H new ATOM 0 HA ASP A 835 8.559 0.124 -9.278 1.00 0.00 H new ATOM 0 HB2 ASP A 835 6.742 2.300 -8.565 1.00 0.00 H new ATOM 0 HB3 ASP A 835 8.408 2.738 -8.244 1.00 0.00 H new ATOM 1211 N LEU A 836 8.465 0.815 -6.054 1.00 0.00 N ATOM 1212 CA LEU A 836 9.237 0.816 -4.814 1.00 0.00 C ATOM 1213 C LEU A 836 9.895 -0.543 -4.582 1.00 0.00 C ATOM 1214 O LEU A 836 11.105 -0.628 -4.371 1.00 0.00 O ATOM 1215 CB LEU A 836 8.326 1.176 -3.634 1.00 0.00 C ATOM 1216 CG LEU A 836 8.920 0.961 -2.240 1.00 0.00 C ATOM 1217 CD1 LEU A 836 10.001 1.991 -1.958 1.00 0.00 C ATOM 1218 CD2 LEU A 836 7.831 1.038 -1.187 1.00 0.00 C ATOM 0 H LEU A 836 7.469 0.993 -5.924 1.00 0.00 H new ATOM 0 HA LEU A 836 10.026 1.564 -4.897 1.00 0.00 H new ATOM 0 HB2 LEU A 836 8.039 2.223 -3.728 1.00 0.00 H new ATOM 0 HB3 LEU A 836 7.412 0.587 -3.713 1.00 0.00 H new ATOM 0 HG LEU A 836 9.370 -0.031 -2.205 1.00 0.00 H new ATOM 0 HD11 LEU A 836 10.412 1.823 -0.963 1.00 0.00 H new ATOM 0 HD12 LEU A 836 10.795 1.898 -2.699 1.00 0.00 H new ATOM 0 HD13 LEU A 836 9.572 2.992 -2.010 1.00 0.00 H new ATOM 0 HD21 LEU A 836 8.267 0.883 -0.200 1.00 0.00 H new ATOM 0 HD22 LEU A 836 7.357 2.019 -1.225 1.00 0.00 H new ATOM 0 HD23 LEU A 836 7.085 0.267 -1.378 1.00 0.00 H new ATOM 1230 N VAL A 837 9.094 -1.599 -4.641 1.00 0.00 N ATOM 1231 CA VAL A 837 9.582 -2.951 -4.392 1.00 0.00 C ATOM 1232 C VAL A 837 10.614 -3.363 -5.440 1.00 0.00 C ATOM 1233 O VAL A 837 11.657 -3.925 -5.104 1.00 0.00 O ATOM 1234 CB VAL A 837 8.423 -3.973 -4.369 1.00 0.00 C ATOM 1235 CG1 VAL A 837 8.946 -5.398 -4.228 1.00 0.00 C ATOM 1236 CG2 VAL A 837 7.454 -3.650 -3.240 1.00 0.00 C ATOM 0 H VAL A 837 8.099 -1.546 -4.860 1.00 0.00 H new ATOM 0 HA VAL A 837 10.058 -2.946 -3.412 1.00 0.00 H new ATOM 0 HB VAL A 837 7.893 -3.902 -5.319 1.00 0.00 H new ATOM 0 HG11 VAL A 837 8.107 -6.094 -4.215 1.00 0.00 H new ATOM 0 HG12 VAL A 837 9.598 -5.631 -5.070 1.00 0.00 H new ATOM 0 HG13 VAL A 837 9.508 -5.489 -3.298 1.00 0.00 H new ATOM 0 HG21 VAL A 837 6.643 -4.379 -3.237 1.00 0.00 H new ATOM 0 HG22 VAL A 837 7.980 -3.689 -2.286 1.00 0.00 H new ATOM 0 HG23 VAL A 837 7.044 -2.651 -3.387 1.00 0.00 H new ATOM 1246 N ASN A 838 10.329 -3.061 -6.701 1.00 0.00 N ATOM 1247 CA ASN A 838 11.245 -3.386 -7.790 1.00 0.00 C ATOM 1248 C ASN A 838 12.580 -2.666 -7.607 1.00 0.00 C ATOM 1249 O ASN A 838 13.647 -3.261 -7.783 1.00 0.00 O ATOM 1250 CB ASN A 838 10.628 -3.012 -9.142 1.00 0.00 C ATOM 1251 CG ASN A 838 11.613 -3.145 -10.290 1.00 0.00 C ATOM 1252 OD1 ASN A 838 12.033 -4.250 -10.642 1.00 0.00 O ATOM 1253 ND2 ASN A 838 11.984 -2.023 -10.884 1.00 0.00 N ATOM 0 H ASN A 838 9.472 -2.592 -6.996 1.00 0.00 H new ATOM 0 HA ASN A 838 11.424 -4.461 -7.771 1.00 0.00 H new ATOM 0 HB2 ASN A 838 9.765 -3.650 -9.333 1.00 0.00 H new ATOM 0 HB3 ASN A 838 10.262 -1.986 -9.099 1.00 0.00 H new ATOM 0 HD21 ASN A 838 12.641 -2.052 -11.664 1.00 0.00 H new ATOM 0 HD22 ASN A 838 11.613 -1.129 -10.562 1.00 0.00 H new ATOM 1260 N ALA A 839 12.509 -1.389 -7.235 1.00 0.00 N ATOM 1261 CA ALA A 839 13.704 -0.588 -6.998 1.00 0.00 C ATOM 1262 C ALA A 839 14.570 -1.227 -5.928 1.00 0.00 C ATOM 1263 O ALA A 839 15.763 -1.449 -6.128 1.00 0.00 O ATOM 1264 CB ALA A 839 13.327 0.826 -6.580 1.00 0.00 C ATOM 0 H ALA A 839 11.632 -0.887 -7.091 1.00 0.00 H new ATOM 0 HA ALA A 839 14.270 -0.541 -7.929 1.00 0.00 H new ATOM 0 HB1 ALA A 839 14.232 1.408 -6.408 1.00 0.00 H new ATOM 0 HB2 ALA A 839 12.739 1.294 -7.370 1.00 0.00 H new ATOM 0 HB3 ALA A 839 12.739 0.790 -5.663 1.00 0.00 H new ATOM 1270 N ILE A 840 13.948 -1.536 -4.800 1.00 0.00 N ATOM 1271 CA ILE A 840 14.645 -2.143 -3.677 1.00 0.00 C ATOM 1272 C ILE A 840 15.224 -3.497 -4.057 1.00 0.00 C ATOM 1273 O ILE A 840 16.379 -3.785 -3.762 1.00 0.00 O ATOM 1274 CB ILE A 840 13.707 -2.305 -2.467 1.00 0.00 C ATOM 1275 CG1 ILE A 840 13.269 -0.933 -1.967 1.00 0.00 C ATOM 1276 CG2 ILE A 840 14.385 -3.085 -1.351 1.00 0.00 C ATOM 1277 CD1 ILE A 840 11.973 -0.956 -1.199 1.00 0.00 C ATOM 0 H ILE A 840 12.954 -1.375 -4.638 1.00 0.00 H new ATOM 0 HA ILE A 840 15.462 -1.475 -3.404 1.00 0.00 H new ATOM 0 HB ILE A 840 12.829 -2.868 -2.782 1.00 0.00 H new ATOM 0 HG12 ILE A 840 14.052 -0.521 -1.330 1.00 0.00 H new ATOM 0 HG13 ILE A 840 13.165 -0.261 -2.819 1.00 0.00 H new ATOM 0 HG21 ILE A 840 13.700 -3.185 -0.509 1.00 0.00 H new ATOM 0 HG22 ILE A 840 14.660 -4.075 -1.714 1.00 0.00 H new ATOM 0 HG23 ILE A 840 15.281 -2.555 -1.029 1.00 0.00 H new ATOM 0 HD11 ILE A 840 11.724 0.054 -0.875 1.00 0.00 H new ATOM 0 HD12 ILE A 840 11.178 -1.338 -1.839 1.00 0.00 H new ATOM 0 HD13 ILE A 840 12.078 -1.601 -0.327 1.00 0.00 H new ATOM 1289 N LYS A 841 14.425 -4.317 -4.728 1.00 0.00 N ATOM 1290 CA LYS A 841 14.858 -5.649 -5.130 1.00 0.00 C ATOM 1291 C LYS A 841 16.151 -5.586 -5.940 1.00 0.00 C ATOM 1292 O LYS A 841 17.114 -6.292 -5.645 1.00 0.00 O ATOM 1293 CB LYS A 841 13.763 -6.342 -5.943 1.00 0.00 C ATOM 1294 CG LYS A 841 14.081 -7.789 -6.287 1.00 0.00 C ATOM 1295 CD LYS A 841 13.941 -8.052 -7.777 1.00 0.00 C ATOM 1296 CE LYS A 841 15.243 -7.785 -8.517 1.00 0.00 C ATOM 1297 NZ LYS A 841 16.004 -9.036 -8.776 1.00 0.00 N ATOM 0 H LYS A 841 13.472 -4.082 -5.006 1.00 0.00 H new ATOM 0 HA LYS A 841 15.049 -6.227 -4.226 1.00 0.00 H new ATOM 0 HB2 LYS A 841 12.829 -6.308 -5.382 1.00 0.00 H new ATOM 0 HB3 LYS A 841 13.601 -5.785 -6.866 1.00 0.00 H new ATOM 0 HG2 LYS A 841 15.097 -8.025 -5.969 1.00 0.00 H new ATOM 0 HG3 LYS A 841 13.413 -8.450 -5.736 1.00 0.00 H new ATOM 0 HD2 LYS A 841 13.636 -9.086 -7.938 1.00 0.00 H new ATOM 0 HD3 LYS A 841 13.153 -7.420 -8.186 1.00 0.00 H new ATOM 0 HE2 LYS A 841 15.027 -7.290 -9.464 1.00 0.00 H new ATOM 0 HE3 LYS A 841 15.858 -7.101 -7.933 1.00 0.00 H new ATOM 0 HZ1 LYS A 841 16.884 -8.809 -9.282 1.00 0.00 H new ATOM 0 HZ2 LYS A 841 16.233 -9.496 -7.872 1.00 0.00 H new ATOM 0 HZ3 LYS A 841 15.428 -9.679 -9.356 1.00 0.00 H new ATOM 1508 N LEU A 856 15.574 -5.416 3.583 1.00 0.00 N ATOM 1509 CA LEU A 856 14.969 -4.548 2.598 1.00 0.00 C ATOM 1510 C LEU A 856 13.968 -5.306 1.741 1.00 0.00 C ATOM 1511 O LEU A 856 12.830 -4.877 1.564 1.00 0.00 O ATOM 1512 CB LEU A 856 16.066 -3.978 1.713 1.00 0.00 C ATOM 1513 CG LEU A 856 17.023 -2.994 2.394 1.00 0.00 C ATOM 1514 CD1 LEU A 856 18.251 -2.752 1.530 1.00 0.00 C ATOM 1515 CD2 LEU A 856 16.321 -1.676 2.681 1.00 0.00 C ATOM 0 HA LEU A 856 14.437 -3.747 3.111 1.00 0.00 H new ATOM 0 HB2 LEU A 856 16.650 -4.806 1.311 1.00 0.00 H new ATOM 0 HB3 LEU A 856 15.600 -3.476 0.865 1.00 0.00 H new ATOM 0 HG LEU A 856 17.343 -3.434 3.339 1.00 0.00 H new ATOM 0 HD11 LEU A 856 18.917 -2.050 2.032 1.00 0.00 H new ATOM 0 HD12 LEU A 856 18.773 -3.695 1.367 1.00 0.00 H new ATOM 0 HD13 LEU A 856 17.944 -2.337 0.570 1.00 0.00 H new ATOM 0 HD21 LEU A 856 17.017 -0.991 3.165 1.00 0.00 H new ATOM 0 HD22 LEU A 856 15.972 -1.238 1.746 1.00 0.00 H new ATOM 0 HD23 LEU A 856 15.470 -1.853 3.339 1.00 0.00 H new ATOM 1527 N LEU A 857 14.403 -6.441 1.226 1.00 0.00 N ATOM 1528 CA LEU A 857 13.584 -7.242 0.334 1.00 0.00 C ATOM 1529 C LEU A 857 12.417 -7.876 1.085 1.00 0.00 C ATOM 1530 O LEU A 857 11.347 -8.090 0.520 1.00 0.00 O ATOM 1531 CB LEU A 857 14.450 -8.307 -0.329 1.00 0.00 C ATOM 1532 CG LEU A 857 15.810 -7.798 -0.814 1.00 0.00 C ATOM 1533 CD1 LEU A 857 16.844 -8.911 -0.769 1.00 0.00 C ATOM 1534 CD2 LEU A 857 15.695 -7.242 -2.221 1.00 0.00 C ATOM 0 H LEU A 857 15.327 -6.832 1.412 1.00 0.00 H new ATOM 0 HA LEU A 857 13.163 -6.597 -0.437 1.00 0.00 H new ATOM 0 HB2 LEU A 857 14.610 -9.121 0.378 1.00 0.00 H new ATOM 0 HB3 LEU A 857 13.907 -8.724 -1.177 1.00 0.00 H new ATOM 0 HG LEU A 857 16.135 -6.998 -0.149 1.00 0.00 H new ATOM 0 HD11 LEU A 857 17.804 -8.530 -1.117 1.00 0.00 H new ATOM 0 HD12 LEU A 857 16.946 -9.271 0.255 1.00 0.00 H new ATOM 0 HD13 LEU A 857 16.524 -9.731 -1.412 1.00 0.00 H new ATOM 0 HD21 LEU A 857 16.670 -6.884 -2.552 1.00 0.00 H new ATOM 0 HD22 LEU A 857 15.349 -8.026 -2.895 1.00 0.00 H new ATOM 0 HD23 LEU A 857 14.984 -6.416 -2.229 1.00 0.00 H new ATOM 1546 N SER A 858 12.626 -8.156 2.363 1.00 0.00 N ATOM 1547 CA SER A 858 11.568 -8.697 3.205 1.00 0.00 C ATOM 1548 C SER A 858 10.524 -7.625 3.511 1.00 0.00 C ATOM 1549 O SER A 858 9.322 -7.884 3.467 1.00 0.00 O ATOM 1550 CB SER A 858 12.162 -9.250 4.496 1.00 0.00 C ATOM 1551 OG SER A 858 13.123 -10.256 4.216 1.00 0.00 O ATOM 0 H SER A 858 13.517 -8.018 2.840 1.00 0.00 H new ATOM 0 HA SER A 858 11.074 -9.508 2.670 1.00 0.00 H new ATOM 0 HB2 SER A 858 12.627 -8.443 5.063 1.00 0.00 H new ATOM 0 HB3 SER A 858 11.369 -9.662 5.120 1.00 0.00 H new ATOM 0 HG SER A 858 13.494 -10.597 5.057 1.00 0.00 H new ATOM 1557 N ALA A 859 10.993 -6.419 3.809 1.00 0.00 N ATOM 1558 CA ALA A 859 10.106 -5.288 4.044 1.00 0.00 C ATOM 1559 C ALA A 859 9.322 -4.956 2.778 1.00 0.00 C ATOM 1560 O ALA A 859 8.132 -4.643 2.832 1.00 0.00 O ATOM 1561 CB ALA A 859 10.902 -4.079 4.517 1.00 0.00 C ATOM 0 H ALA A 859 11.986 -6.200 3.894 1.00 0.00 H new ATOM 0 HA ALA A 859 9.396 -5.558 4.826 1.00 0.00 H new ATOM 0 HB1 ALA A 859 10.225 -3.242 4.688 1.00 0.00 H new ATOM 0 HB2 ALA A 859 11.418 -4.324 5.445 1.00 0.00 H new ATOM 0 HB3 ALA A 859 11.633 -3.805 3.757 1.00 0.00 H new ATOM 1567 N ALA A 860 9.996 -5.046 1.636 1.00 0.00 N ATOM 1568 CA ALA A 860 9.358 -4.818 0.346 1.00 0.00 C ATOM 1569 C ALA A 860 8.279 -5.865 0.079 1.00 0.00 C ATOM 1570 O ALA A 860 7.276 -5.585 -0.581 1.00 0.00 O ATOM 1571 CB ALA A 860 10.396 -4.822 -0.766 1.00 0.00 C ATOM 0 H ALA A 860 10.988 -5.276 1.579 1.00 0.00 H new ATOM 0 HA ALA A 860 8.879 -3.839 0.370 1.00 0.00 H new ATOM 0 HB1 ALA A 860 9.904 -4.650 -1.723 1.00 0.00 H new ATOM 0 HB2 ALA A 860 11.125 -4.032 -0.586 1.00 0.00 H new ATOM 0 HB3 ALA A 860 10.904 -5.786 -0.786 1.00 0.00 H new ATOM 1577 N LYS A 861 8.482 -7.068 0.607 1.00 0.00 N ATOM 1578 CA LYS A 861 7.491 -8.131 0.488 1.00 0.00 C ATOM 1579 C LYS A 861 6.211 -7.744 1.222 1.00 0.00 C ATOM 1580 O LYS A 861 5.105 -8.042 0.762 1.00 0.00 O ATOM 1581 CB LYS A 861 8.039 -9.446 1.045 1.00 0.00 C ATOM 1582 CG LYS A 861 8.119 -10.557 0.012 1.00 0.00 C ATOM 1583 CD LYS A 861 9.559 -10.859 -0.366 1.00 0.00 C ATOM 1584 CE LYS A 861 9.641 -11.632 -1.672 1.00 0.00 C ATOM 1585 NZ LYS A 861 10.051 -13.044 -1.458 1.00 0.00 N ATOM 0 H LYS A 861 9.323 -7.331 1.121 1.00 0.00 H new ATOM 0 HA LYS A 861 7.264 -8.271 -0.569 1.00 0.00 H new ATOM 0 HB2 LYS A 861 9.033 -9.271 1.456 1.00 0.00 H new ATOM 0 HB3 LYS A 861 7.406 -9.773 1.870 1.00 0.00 H new ATOM 0 HG2 LYS A 861 7.648 -11.457 0.407 1.00 0.00 H new ATOM 0 HG3 LYS A 861 7.560 -10.269 -0.878 1.00 0.00 H new ATOM 0 HD2 LYS A 861 10.115 -9.926 -0.458 1.00 0.00 H new ATOM 0 HD3 LYS A 861 10.032 -11.435 0.429 1.00 0.00 H new ATOM 0 HE2 LYS A 861 8.671 -11.607 -2.169 1.00 0.00 H new ATOM 0 HE3 LYS A 861 10.353 -11.145 -2.338 1.00 0.00 H new ATOM 0 HZ1 LYS A 861 10.095 -13.535 -2.374 1.00 0.00 H new ATOM 0 HZ2 LYS A 861 10.988 -13.069 -1.007 1.00 0.00 H new ATOM 0 HZ3 LYS A 861 9.358 -13.517 -0.844 1.00 0.00 H new ATOM 1599 N ILE A 862 6.366 -7.076 2.361 1.00 0.00 N ATOM 1600 CA ILE A 862 5.223 -6.570 3.110 1.00 0.00 C ATOM 1601 C ILE A 862 4.550 -5.450 2.330 1.00 0.00 C ATOM 1602 O ILE A 862 3.323 -5.388 2.249 1.00 0.00 O ATOM 1603 CB ILE A 862 5.624 -6.037 4.504 1.00 0.00 C ATOM 1604 CG1 ILE A 862 6.644 -6.963 5.167 1.00 0.00 C ATOM 1605 CG2 ILE A 862 4.394 -5.887 5.389 1.00 0.00 C ATOM 1606 CD1 ILE A 862 7.423 -6.301 6.284 1.00 0.00 C ATOM 0 H ILE A 862 7.272 -6.873 2.784 1.00 0.00 H new ATOM 0 HA ILE A 862 4.538 -7.406 3.252 1.00 0.00 H new ATOM 0 HB ILE A 862 6.084 -5.057 4.374 1.00 0.00 H new ATOM 0 HG12 ILE A 862 6.126 -7.836 5.564 1.00 0.00 H new ATOM 0 HG13 ILE A 862 7.342 -7.322 4.411 1.00 0.00 H new ATOM 0 HG21 ILE A 862 4.693 -5.511 6.367 1.00 0.00 H new ATOM 0 HG22 ILE A 862 3.698 -5.186 4.928 1.00 0.00 H new ATOM 0 HG23 ILE A 862 3.909 -6.856 5.506 1.00 0.00 H new ATOM 0 HD11 ILE A 862 8.128 -7.015 6.709 1.00 0.00 H new ATOM 0 HD12 ILE A 862 7.969 -5.444 5.889 1.00 0.00 H new ATOM 0 HD13 ILE A 862 6.734 -5.966 7.059 1.00 0.00 H new ATOM 1618 N LEU A 863 5.371 -4.579 1.747 1.00 0.00 N ATOM 1619 CA LEU A 863 4.886 -3.474 0.928 1.00 0.00 C ATOM 1620 C LEU A 863 3.934 -3.982 -0.154 1.00 0.00 C ATOM 1621 O LEU A 863 2.795 -3.523 -0.258 1.00 0.00 O ATOM 1622 CB LEU A 863 6.066 -2.749 0.267 1.00 0.00 C ATOM 1623 CG LEU A 863 6.435 -1.385 0.858 1.00 0.00 C ATOM 1624 CD1 LEU A 863 5.185 -0.581 1.187 1.00 0.00 C ATOM 1625 CD2 LEU A 863 7.304 -1.556 2.097 1.00 0.00 C ATOM 0 H LEU A 863 6.387 -4.620 1.829 1.00 0.00 H new ATOM 0 HA LEU A 863 4.349 -2.781 1.576 1.00 0.00 H new ATOM 0 HB2 LEU A 863 6.942 -3.396 0.324 1.00 0.00 H new ATOM 0 HB3 LEU A 863 5.837 -2.614 -0.790 1.00 0.00 H new ATOM 0 HG LEU A 863 7.006 -0.834 0.111 1.00 0.00 H new ATOM 0 HD11 LEU A 863 5.472 0.384 1.605 1.00 0.00 H new ATOM 0 HD12 LEU A 863 4.604 -0.424 0.278 1.00 0.00 H new ATOM 0 HD13 LEU A 863 4.582 -1.126 1.913 1.00 0.00 H new ATOM 0 HD21 LEU A 863 7.556 -0.576 2.503 1.00 0.00 H new ATOM 0 HD22 LEU A 863 6.760 -2.130 2.847 1.00 0.00 H new ATOM 0 HD23 LEU A 863 8.219 -2.084 1.829 1.00 0.00 H new ATOM 1637 N ALA A 864 4.407 -4.941 -0.942 1.00 0.00 N ATOM 1638 CA ALA A 864 3.621 -5.494 -2.037 1.00 0.00 C ATOM 1639 C ALA A 864 2.375 -6.212 -1.526 1.00 0.00 C ATOM 1640 O ALA A 864 1.280 -6.028 -2.063 1.00 0.00 O ATOM 1641 CB ALA A 864 4.472 -6.442 -2.870 1.00 0.00 C ATOM 0 H ALA A 864 5.335 -5.353 -0.842 1.00 0.00 H new ATOM 0 HA ALA A 864 3.293 -4.665 -2.664 1.00 0.00 H new ATOM 0 HB1 ALA A 864 3.873 -6.848 -3.685 1.00 0.00 H new ATOM 0 HB2 ALA A 864 5.324 -5.900 -3.281 1.00 0.00 H new ATOM 0 HB3 ALA A 864 4.830 -7.257 -2.241 1.00 0.00 H new ATOM 1647 N ASP A 865 2.543 -7.013 -0.480 1.00 0.00 N ATOM 1648 CA ASP A 865 1.444 -7.807 0.071 1.00 0.00 C ATOM 1649 C ASP A 865 0.325 -6.914 0.590 1.00 0.00 C ATOM 1650 O ASP A 865 -0.856 -7.172 0.346 1.00 0.00 O ATOM 1651 CB ASP A 865 1.949 -8.707 1.199 1.00 0.00 C ATOM 1652 CG ASP A 865 1.193 -10.018 1.275 1.00 0.00 C ATOM 1653 OD1 ASP A 865 1.016 -10.669 0.225 1.00 0.00 O ATOM 1654 OD2 ASP A 865 0.780 -10.410 2.386 1.00 0.00 O ATOM 0 H ASP A 865 3.431 -7.132 0.007 1.00 0.00 H new ATOM 0 HA ASP A 865 1.047 -8.426 -0.734 1.00 0.00 H new ATOM 0 HB2 ASP A 865 3.009 -8.910 1.051 1.00 0.00 H new ATOM 0 HB3 ASP A 865 1.855 -8.181 2.149 1.00 0.00 H new ATOM 1659 N ALA A 866 0.705 -5.859 1.298 1.00 0.00 N ATOM 1660 CA ALA A 866 -0.261 -4.929 1.861 1.00 0.00 C ATOM 1661 C ALA A 866 -0.937 -4.111 0.768 1.00 0.00 C ATOM 1662 O ALA A 866 -2.134 -3.837 0.841 1.00 0.00 O ATOM 1663 CB ALA A 866 0.416 -4.010 2.869 1.00 0.00 C ATOM 0 H ALA A 866 1.678 -5.627 1.496 1.00 0.00 H new ATOM 0 HA ALA A 866 -1.030 -5.508 2.373 1.00 0.00 H new ATOM 0 HB1 ALA A 866 -0.319 -3.319 3.282 1.00 0.00 H new ATOM 0 HB2 ALA A 866 0.846 -4.606 3.674 1.00 0.00 H new ATOM 0 HB3 ALA A 866 1.206 -3.446 2.374 1.00 0.00 H new ATOM 1669 N THR A 867 -0.172 -3.735 -0.251 1.00 0.00 N ATOM 1670 CA THR A 867 -0.698 -2.920 -1.338 1.00 0.00 C ATOM 1671 C THR A 867 -1.754 -3.679 -2.142 1.00 0.00 C ATOM 1672 O THR A 867 -2.746 -3.094 -2.580 1.00 0.00 O ATOM 1673 CB THR A 867 0.430 -2.433 -2.268 1.00 0.00 C ATOM 1674 OG1 THR A 867 1.368 -1.656 -1.514 1.00 0.00 O ATOM 1675 CG2 THR A 867 -0.118 -1.593 -3.413 1.00 0.00 C ATOM 0 H THR A 867 0.813 -3.982 -0.346 1.00 0.00 H new ATOM 0 HA THR A 867 -1.172 -2.048 -0.886 1.00 0.00 H new ATOM 0 HB THR A 867 0.922 -3.308 -2.693 1.00 0.00 H new ATOM 0 HG1 THR A 867 1.833 -2.235 -0.874 1.00 0.00 H new ATOM 0 HG21 THR A 867 0.704 -1.266 -4.050 1.00 0.00 H new ATOM 0 HG22 THR A 867 -0.817 -2.189 -4.000 1.00 0.00 H new ATOM 0 HG23 THR A 867 -0.634 -0.722 -3.010 1.00 0.00 H new ATOM 1683 N ALA A 868 -1.553 -4.982 -2.324 1.00 0.00 N ATOM 1684 CA ALA A 868 -2.551 -5.803 -2.998 1.00 0.00 C ATOM 1685 C ALA A 868 -3.833 -5.831 -2.186 1.00 0.00 C ATOM 1686 O ALA A 868 -4.925 -5.687 -2.728 1.00 0.00 O ATOM 1687 CB ALA A 868 -2.048 -7.217 -3.220 1.00 0.00 C ATOM 0 H ALA A 868 -0.720 -5.485 -2.018 1.00 0.00 H new ATOM 0 HA ALA A 868 -2.748 -5.359 -3.974 1.00 0.00 H new ATOM 0 HB1 ALA A 868 -2.817 -7.802 -3.725 1.00 0.00 H new ATOM 0 HB2 ALA A 868 -1.149 -7.191 -3.836 1.00 0.00 H new ATOM 0 HB3 ALA A 868 -1.816 -7.676 -2.259 1.00 0.00 H new ATOM 1693 N LYS A 869 -3.683 -6.003 -0.877 1.00 0.00 N ATOM 1694 CA LYS A 869 -4.814 -5.973 0.037 1.00 0.00 C ATOM 1695 C LYS A 869 -5.523 -4.629 -0.057 1.00 0.00 C ATOM 1696 O LYS A 869 -6.748 -4.564 -0.074 1.00 0.00 O ATOM 1697 CB LYS A 869 -4.345 -6.224 1.472 1.00 0.00 C ATOM 1698 CG LYS A 869 -5.481 -6.424 2.462 1.00 0.00 C ATOM 1699 CD LYS A 869 -4.964 -6.844 3.832 1.00 0.00 C ATOM 1700 CE LYS A 869 -4.914 -8.359 3.975 1.00 0.00 C ATOM 1701 NZ LYS A 869 -6.172 -9.007 3.517 1.00 0.00 N ATOM 0 H LYS A 869 -2.783 -6.165 -0.425 1.00 0.00 H new ATOM 0 HA LYS A 869 -5.513 -6.762 -0.243 1.00 0.00 H new ATOM 0 HB2 LYS A 869 -3.704 -7.105 1.486 1.00 0.00 H new ATOM 0 HB3 LYS A 869 -3.735 -5.381 1.798 1.00 0.00 H new ATOM 0 HG2 LYS A 869 -6.050 -5.499 2.555 1.00 0.00 H new ATOM 0 HG3 LYS A 869 -6.166 -7.183 2.083 1.00 0.00 H new ATOM 0 HD2 LYS A 869 -3.967 -6.431 3.987 1.00 0.00 H new ATOM 0 HD3 LYS A 869 -5.607 -6.426 4.607 1.00 0.00 H new ATOM 0 HE2 LYS A 869 -4.075 -8.749 3.399 1.00 0.00 H new ATOM 0 HE3 LYS A 869 -4.732 -8.618 5.018 1.00 0.00 H new ATOM 0 HZ1 LYS A 869 -6.284 -9.924 3.994 1.00 0.00 H new ATOM 0 HZ2 LYS A 869 -6.981 -8.396 3.748 1.00 0.00 H new ATOM 0 HZ3 LYS A 869 -6.132 -9.155 2.488 1.00 0.00 H new ATOM 1715 N MET A 870 -4.737 -3.561 -0.133 1.00 0.00 N ATOM 1716 CA MET A 870 -5.272 -2.211 -0.256 1.00 0.00 C ATOM 1717 C MET A 870 -6.077 -2.060 -1.541 1.00 0.00 C ATOM 1718 O MET A 870 -7.222 -1.606 -1.518 1.00 0.00 O ATOM 1719 CB MET A 870 -4.135 -1.186 -0.231 1.00 0.00 C ATOM 1720 CG MET A 870 -4.440 0.056 0.592 1.00 0.00 C ATOM 1721 SD MET A 870 -6.200 0.271 0.920 1.00 0.00 S ATOM 1722 CE MET A 870 -6.578 1.618 -0.191 1.00 0.00 C ATOM 0 H MET A 870 -3.718 -3.606 -0.111 1.00 0.00 H new ATOM 0 HA MET A 870 -5.935 -2.031 0.590 1.00 0.00 H new ATOM 0 HB2 MET A 870 -3.239 -1.662 0.167 1.00 0.00 H new ATOM 0 HB3 MET A 870 -3.908 -0.885 -1.254 1.00 0.00 H new ATOM 0 HG2 MET A 870 -3.904 -0.002 1.539 1.00 0.00 H new ATOM 0 HG3 MET A 870 -4.064 0.934 0.067 1.00 0.00 H new ATOM 0 HE1 MET A 870 -7.659 1.721 -0.283 1.00 0.00 H new ATOM 0 HE2 MET A 870 -6.157 2.543 0.203 1.00 0.00 H new ATOM 0 HE3 MET A 870 -6.148 1.412 -1.171 1.00 0.00 H new ATOM 1732 N VAL A 871 -5.481 -2.455 -2.658 1.00 0.00 N ATOM 1733 CA VAL A 871 -6.132 -2.327 -3.951 1.00 0.00 C ATOM 1734 C VAL A 871 -7.382 -3.207 -4.015 1.00 0.00 C ATOM 1735 O VAL A 871 -8.403 -2.811 -4.577 1.00 0.00 O ATOM 1736 CB VAL A 871 -5.153 -2.652 -5.115 1.00 0.00 C ATOM 1737 CG1 VAL A 871 -5.409 -4.021 -5.735 1.00 0.00 C ATOM 1738 CG2 VAL A 871 -5.228 -1.568 -6.177 1.00 0.00 C ATOM 0 H VAL A 871 -4.548 -2.866 -2.693 1.00 0.00 H new ATOM 0 HA VAL A 871 -6.442 -1.289 -4.069 1.00 0.00 H new ATOM 0 HB VAL A 871 -4.149 -2.681 -4.691 1.00 0.00 H new ATOM 0 HG11 VAL A 871 -4.697 -4.194 -6.542 1.00 0.00 H new ATOM 0 HG12 VAL A 871 -5.290 -4.793 -4.974 1.00 0.00 H new ATOM 0 HG13 VAL A 871 -6.423 -4.056 -6.133 1.00 0.00 H new ATOM 0 HG21 VAL A 871 -4.539 -1.805 -6.988 1.00 0.00 H new ATOM 0 HG22 VAL A 871 -6.244 -1.512 -6.569 1.00 0.00 H new ATOM 0 HG23 VAL A 871 -4.955 -0.609 -5.737 1.00 0.00 H new ATOM 1748 N GLU A 872 -7.308 -4.382 -3.400 1.00 0.00 N ATOM 1749 CA GLU A 872 -8.426 -5.309 -3.391 1.00 0.00 C ATOM 1750 C GLU A 872 -9.545 -4.794 -2.487 1.00 0.00 C ATOM 1751 O GLU A 872 -10.727 -4.899 -2.824 1.00 0.00 O ATOM 1752 CB GLU A 872 -7.959 -6.696 -2.935 1.00 0.00 C ATOM 1753 CG GLU A 872 -8.562 -7.838 -3.741 1.00 0.00 C ATOM 1754 CD GLU A 872 -8.579 -7.562 -5.232 1.00 0.00 C ATOM 1755 OE1 GLU A 872 -7.584 -7.879 -5.914 1.00 0.00 O ATOM 1756 OE2 GLU A 872 -9.596 -7.040 -5.735 1.00 0.00 O ATOM 0 H GLU A 872 -6.482 -4.713 -2.901 1.00 0.00 H new ATOM 0 HA GLU A 872 -8.819 -5.390 -4.405 1.00 0.00 H new ATOM 0 HB2 GLU A 872 -6.873 -6.746 -3.007 1.00 0.00 H new ATOM 0 HB3 GLU A 872 -8.216 -6.829 -1.884 1.00 0.00 H new ATOM 0 HG2 GLU A 872 -7.995 -8.749 -3.552 1.00 0.00 H new ATOM 0 HG3 GLU A 872 -9.581 -8.020 -3.398 1.00 0.00 H new ATOM 1763 N ALA A 873 -9.166 -4.221 -1.350 1.00 0.00 N ATOM 1764 CA ALA A 873 -10.131 -3.672 -0.403 1.00 0.00 C ATOM 1765 C ALA A 873 -10.841 -2.458 -0.986 1.00 0.00 C ATOM 1766 O ALA A 873 -12.070 -2.363 -0.939 1.00 0.00 O ATOM 1767 CB ALA A 873 -9.439 -3.292 0.898 1.00 0.00 C ATOM 0 H ALA A 873 -8.193 -4.124 -1.060 1.00 0.00 H new ATOM 0 HA ALA A 873 -10.876 -4.441 -0.200 1.00 0.00 H new ATOM 0 HB1 ALA A 873 -10.172 -2.884 1.594 1.00 0.00 H new ATOM 0 HB2 ALA A 873 -8.976 -4.176 1.336 1.00 0.00 H new ATOM 0 HB3 ALA A 873 -8.673 -2.543 0.697 1.00 0.00 H new ATOM 1773 N ALA A 874 -10.061 -1.535 -1.539 1.00 0.00 N ATOM 1774 CA ALA A 874 -10.606 -0.306 -2.104 1.00 0.00 C ATOM 1775 C ALA A 874 -11.561 -0.603 -3.253 1.00 0.00 C ATOM 1776 O ALA A 874 -12.653 -0.040 -3.322 1.00 0.00 O ATOM 1777 CB ALA A 874 -9.484 0.609 -2.571 1.00 0.00 C ATOM 0 H ALA A 874 -9.047 -1.615 -1.608 1.00 0.00 H new ATOM 0 HA ALA A 874 -11.169 0.201 -1.321 1.00 0.00 H new ATOM 0 HB1 ALA A 874 -9.909 1.521 -2.990 1.00 0.00 H new ATOM 0 HB2 ALA A 874 -8.845 0.862 -1.725 1.00 0.00 H new ATOM 0 HB3 ALA A 874 -8.893 0.101 -3.333 1.00 0.00 H new ATOM 1783 N LYS A 875 -11.151 -1.499 -4.143 1.00 0.00 N ATOM 1784 CA LYS A 875 -11.973 -1.863 -5.291 1.00 0.00 C ATOM 1785 C LYS A 875 -13.200 -2.654 -4.847 1.00 0.00 C ATOM 1786 O LYS A 875 -14.292 -2.476 -5.383 1.00 0.00 O ATOM 1787 CB LYS A 875 -11.159 -2.682 -6.296 1.00 0.00 C ATOM 1788 CG LYS A 875 -10.339 -1.840 -7.261 1.00 0.00 C ATOM 1789 CD LYS A 875 -9.037 -2.533 -7.638 1.00 0.00 C ATOM 1790 CE LYS A 875 -9.145 -3.247 -8.976 1.00 0.00 C ATOM 1791 NZ LYS A 875 -9.371 -4.708 -8.815 1.00 0.00 N ATOM 0 H LYS A 875 -10.256 -1.986 -4.092 1.00 0.00 H new ATOM 0 HA LYS A 875 -12.306 -0.944 -5.773 1.00 0.00 H new ATOM 0 HB2 LYS A 875 -10.489 -3.346 -5.750 1.00 0.00 H new ATOM 0 HB3 LYS A 875 -11.838 -3.314 -6.868 1.00 0.00 H new ATOM 0 HG2 LYS A 875 -10.922 -1.644 -8.161 1.00 0.00 H new ATOM 0 HG3 LYS A 875 -10.120 -0.874 -6.807 1.00 0.00 H new ATOM 0 HD2 LYS A 875 -8.233 -1.798 -7.682 1.00 0.00 H new ATOM 0 HD3 LYS A 875 -8.770 -3.251 -6.863 1.00 0.00 H new ATOM 0 HE2 LYS A 875 -9.964 -2.815 -9.551 1.00 0.00 H new ATOM 0 HE3 LYS A 875 -8.232 -3.083 -9.548 1.00 0.00 H new ATOM 0 HZ1 LYS A 875 -9.438 -5.154 -9.752 1.00 0.00 H new ATOM 0 HZ2 LYS A 875 -8.577 -5.126 -8.289 1.00 0.00 H new ATOM 0 HZ3 LYS A 875 -10.256 -4.867 -8.292 1.00 0.00 H new ATOM 1805 N GLY A 876 -13.016 -3.518 -3.853 1.00 0.00 N ATOM 1806 CA GLY A 876 -14.112 -4.329 -3.352 1.00 0.00 C ATOM 1807 C GLY A 876 -15.186 -3.498 -2.676 1.00 0.00 C ATOM 1808 O GLY A 876 -16.375 -3.809 -2.769 1.00 0.00 O ATOM 0 H GLY A 876 -12.123 -3.671 -3.384 1.00 0.00 H new ATOM 0 HA2 GLY A 876 -14.554 -4.887 -4.177 1.00 0.00 H new ATOM 0 HA3 GLY A 876 -13.724 -5.061 -2.644 1.00 0.00 H new