USER MOD reduce.3.24.130724 H: found=0, std=0, add=582, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 585 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 833 THR OG1 : rot 77:sc= 0.825 USER MOD Set 1.2: A 867 THR OG1 : rot 66:sc= 0.501 USER MOD Set 2.1: A 811 ASN : amide:sc= 0.65 K(o=1.7,f=-1.6!) USER MOD Set 2.2: A 825 GLN : amide:sc= 1.03 K(o=1.7,f=-4.7!) USER MOD Set 3.1: A 776 GLN : amide:sc= -0.0372 K(o=0.13,f=-2.4) USER MOD Set 3.2: A 779 ASN : amide:sc= 0.17 K(o=0.13,f=-2.4!) USER MOD Single : A 772 THR OG1 : rot 70:sc= 1.18 USER MOD Single : A 775 THR OG1 : rot 76:sc= 1.08 USER MOD Single : A 802 THR OG1 : rot -110:sc= -0.457 USER MOD Single : A 804 THR OG1 : rot 180:sc= 0.00937 USER MOD Single : A 807 THR OG1 : rot 86:sc= 1.25 USER MOD Single : A 809 THR OG1 : rot 180:sc=-0.00137 USER MOD Single : A 814 SER OG : rot 80:sc= 0.0171 USER MOD Single : A 815 SER OG : rot 77:sc= 1.28 USER MOD Single : A 816 MET CE :methyl 143:sc= -0.613 (180deg=-1.59) USER MOD Single : A 822 MET CE :methyl 158:sc= -0.0679 (180deg=-0.897) USER MOD Single : A 831 GLN : amide:sc= -0.0951 X(o=-0.095,f=0) USER MOD Single : A 834 SER OG : rot 82:sc= 1.23 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= 0.0778 USER MOD Single : A 861 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 869 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 870 MET CE :methyl -129:sc= -2.92! (180deg=-4.65!) USER MOD Single : A 875 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 220 N GLY A 766 -12.088 -3.096 5.789 1.00 0.00 N ATOM 221 CA GLY A 766 -11.124 -3.591 4.829 1.00 0.00 C ATOM 222 C GLY A 766 -10.117 -2.536 4.429 1.00 0.00 C ATOM 223 O GLY A 766 -8.918 -2.691 4.670 1.00 0.00 O ATOM 0 HA2 GLY A 766 -10.600 -4.448 5.253 1.00 0.00 H new ATOM 0 HA3 GLY A 766 -11.648 -3.945 3.941 1.00 0.00 H new ATOM 227 N VAL A 767 -10.605 -1.452 3.837 1.00 0.00 N ATOM 228 CA VAL A 767 -9.735 -0.394 3.336 1.00 0.00 C ATOM 229 C VAL A 767 -8.920 0.222 4.463 1.00 0.00 C ATOM 230 O VAL A 767 -7.729 0.473 4.306 1.00 0.00 O ATOM 231 CB VAL A 767 -10.528 0.724 2.628 1.00 0.00 C ATOM 232 CG1 VAL A 767 -9.661 1.414 1.587 1.00 0.00 C ATOM 233 CG2 VAL A 767 -11.799 0.176 1.998 1.00 0.00 C ATOM 0 H VAL A 767 -11.600 -1.282 3.692 1.00 0.00 H new ATOM 0 HA VAL A 767 -9.069 -0.862 2.611 1.00 0.00 H new ATOM 0 HB VAL A 767 -10.818 1.462 3.376 1.00 0.00 H new ATOM 0 HG11 VAL A 767 -10.236 2.200 1.097 1.00 0.00 H new ATOM 0 HG12 VAL A 767 -8.789 1.852 2.072 1.00 0.00 H new ATOM 0 HG13 VAL A 767 -9.336 0.686 0.844 1.00 0.00 H new ATOM 0 HG21 VAL A 767 -12.339 0.985 1.506 1.00 0.00 H new ATOM 0 HG22 VAL A 767 -11.541 -0.588 1.264 1.00 0.00 H new ATOM 0 HG23 VAL A 767 -12.429 -0.262 2.772 1.00 0.00 H new ATOM 243 N GLY A 768 -9.572 0.450 5.598 1.00 0.00 N ATOM 244 CA GLY A 768 -8.898 1.037 6.743 1.00 0.00 C ATOM 245 C GLY A 768 -7.694 0.232 7.188 1.00 0.00 C ATOM 246 O GLY A 768 -6.596 0.774 7.331 1.00 0.00 O ATOM 0 H GLY A 768 -10.559 0.238 5.746 1.00 0.00 H new ATOM 0 HA2 GLY A 768 -8.581 2.049 6.493 1.00 0.00 H new ATOM 0 HA3 GLY A 768 -9.602 1.119 7.571 1.00 0.00 H new ATOM 250 N ALA A 769 -7.891 -1.065 7.385 1.00 0.00 N ATOM 251 CA ALA A 769 -6.817 -1.944 7.829 1.00 0.00 C ATOM 252 C ALA A 769 -5.706 -2.016 6.786 1.00 0.00 C ATOM 253 O ALA A 769 -4.523 -1.894 7.111 1.00 0.00 O ATOM 254 CB ALA A 769 -7.365 -3.333 8.120 1.00 0.00 C ATOM 0 H ALA A 769 -8.787 -1.532 7.244 1.00 0.00 H new ATOM 0 HA ALA A 769 -6.393 -1.534 8.745 1.00 0.00 H new ATOM 0 HB1 ALA A 769 -6.554 -3.982 8.451 1.00 0.00 H new ATOM 0 HB2 ALA A 769 -8.121 -3.269 8.902 1.00 0.00 H new ATOM 0 HB3 ALA A 769 -7.813 -3.744 7.215 1.00 0.00 H new ATOM 260 N ALA A 770 -6.099 -2.186 5.530 1.00 0.00 N ATOM 261 CA ALA A 770 -5.147 -2.309 4.435 1.00 0.00 C ATOM 262 C ALA A 770 -4.340 -1.026 4.251 1.00 0.00 C ATOM 263 O ALA A 770 -3.124 -1.067 4.065 1.00 0.00 O ATOM 264 CB ALA A 770 -5.874 -2.669 3.151 1.00 0.00 C ATOM 0 H ALA A 770 -7.076 -2.242 5.244 1.00 0.00 H new ATOM 0 HA ALA A 770 -4.447 -3.107 4.683 1.00 0.00 H new ATOM 0 HB1 ALA A 770 -5.154 -2.759 2.338 1.00 0.00 H new ATOM 0 HB2 ALA A 770 -6.394 -3.618 3.281 1.00 0.00 H new ATOM 0 HB3 ALA A 770 -6.597 -1.889 2.911 1.00 0.00 H new ATOM 270 N ALA A 771 -5.020 0.114 4.313 1.00 0.00 N ATOM 271 CA ALA A 771 -4.366 1.404 4.146 1.00 0.00 C ATOM 272 C ALA A 771 -3.359 1.652 5.264 1.00 0.00 C ATOM 273 O ALA A 771 -2.243 2.116 5.022 1.00 0.00 O ATOM 274 CB ALA A 771 -5.397 2.518 4.097 1.00 0.00 C ATOM 0 H ALA A 771 -6.025 0.169 4.478 1.00 0.00 H new ATOM 0 HA ALA A 771 -3.824 1.392 3.201 1.00 0.00 H new ATOM 0 HB1 ALA A 771 -4.892 3.476 3.972 1.00 0.00 H new ATOM 0 HB2 ALA A 771 -6.073 2.352 3.258 1.00 0.00 H new ATOM 0 HB3 ALA A 771 -5.967 2.527 5.026 1.00 0.00 H new ATOM 280 N THR A 772 -3.755 1.322 6.487 1.00 0.00 N ATOM 281 CA THR A 772 -2.876 1.462 7.637 1.00 0.00 C ATOM 282 C THR A 772 -1.650 0.559 7.491 1.00 0.00 C ATOM 283 O THR A 772 -0.540 0.937 7.871 1.00 0.00 O ATOM 284 CB THR A 772 -3.616 1.128 8.948 1.00 0.00 C ATOM 285 OG1 THR A 772 -4.855 1.850 9.005 1.00 0.00 O ATOM 286 CG2 THR A 772 -2.766 1.475 10.162 1.00 0.00 C ATOM 0 H THR A 772 -4.681 0.955 6.706 1.00 0.00 H new ATOM 0 HA THR A 772 -2.550 2.501 7.679 1.00 0.00 H new ATOM 0 HB THR A 772 -3.814 0.056 8.963 1.00 0.00 H new ATOM 0 HG1 THR A 772 -5.475 1.489 8.337 1.00 0.00 H new ATOM 0 HG21 THR A 772 -3.313 1.229 11.072 1.00 0.00 H new ATOM 0 HG22 THR A 772 -1.838 0.904 10.131 1.00 0.00 H new ATOM 0 HG23 THR A 772 -2.537 2.541 10.153 1.00 0.00 H new ATOM 294 N ALA A 773 -1.854 -0.620 6.910 1.00 0.00 N ATOM 295 CA ALA A 773 -0.766 -1.561 6.681 1.00 0.00 C ATOM 296 C ALA A 773 0.286 -0.962 5.753 1.00 0.00 C ATOM 297 O ALA A 773 1.484 -1.050 6.024 1.00 0.00 O ATOM 298 CB ALA A 773 -1.305 -2.863 6.109 1.00 0.00 C ATOM 0 H ALA A 773 -2.766 -0.945 6.589 1.00 0.00 H new ATOM 0 HA ALA A 773 -0.290 -1.772 7.638 1.00 0.00 H new ATOM 0 HB1 ALA A 773 -0.481 -3.556 5.943 1.00 0.00 H new ATOM 0 HB2 ALA A 773 -2.014 -3.303 6.811 1.00 0.00 H new ATOM 0 HB3 ALA A 773 -1.808 -2.664 5.163 1.00 0.00 H new ATOM 304 N VAL A 774 -0.166 -0.340 4.668 1.00 0.00 N ATOM 305 CA VAL A 774 0.740 0.314 3.727 1.00 0.00 C ATOM 306 C VAL A 774 1.473 1.466 4.405 1.00 0.00 C ATOM 307 O VAL A 774 2.685 1.621 4.253 1.00 0.00 O ATOM 308 CB VAL A 774 -0.010 0.850 2.488 1.00 0.00 C ATOM 309 CG1 VAL A 774 0.948 1.528 1.519 1.00 0.00 C ATOM 310 CG2 VAL A 774 -0.757 -0.272 1.794 1.00 0.00 C ATOM 0 H VAL A 774 -1.153 -0.275 4.418 1.00 0.00 H new ATOM 0 HA VAL A 774 1.457 -0.438 3.398 1.00 0.00 H new ATOM 0 HB VAL A 774 -0.731 1.594 2.827 1.00 0.00 H new ATOM 0 HG11 VAL A 774 0.393 1.896 0.656 1.00 0.00 H new ATOM 0 HG12 VAL A 774 1.439 2.364 2.018 1.00 0.00 H new ATOM 0 HG13 VAL A 774 1.699 0.811 1.188 1.00 0.00 H new ATOM 0 HG21 VAL A 774 -1.280 0.123 0.923 1.00 0.00 H new ATOM 0 HG22 VAL A 774 -0.050 -1.038 1.476 1.00 0.00 H new ATOM 0 HG23 VAL A 774 -1.479 -0.709 2.483 1.00 0.00 H new ATOM 320 N THR A 775 0.725 2.259 5.165 1.00 0.00 N ATOM 321 CA THR A 775 1.289 3.389 5.892 1.00 0.00 C ATOM 322 C THR A 775 2.402 2.937 6.843 1.00 0.00 C ATOM 323 O THR A 775 3.473 3.547 6.902 1.00 0.00 O ATOM 324 CB THR A 775 0.193 4.129 6.689 1.00 0.00 C ATOM 325 OG1 THR A 775 -0.926 4.408 5.836 1.00 0.00 O ATOM 326 CG2 THR A 775 0.727 5.430 7.275 1.00 0.00 C ATOM 0 H THR A 775 -0.280 2.138 5.293 1.00 0.00 H new ATOM 0 HA THR A 775 1.716 4.071 5.156 1.00 0.00 H new ATOM 0 HB THR A 775 -0.124 3.486 7.510 1.00 0.00 H new ATOM 0 HG1 THR A 775 -1.440 3.586 5.691 1.00 0.00 H new ATOM 0 HG21 THR A 775 -0.065 5.931 7.831 1.00 0.00 H new ATOM 0 HG22 THR A 775 1.559 5.213 7.945 1.00 0.00 H new ATOM 0 HG23 THR A 775 1.070 6.078 6.469 1.00 0.00 H new ATOM 334 N GLN A 776 2.157 1.849 7.563 1.00 0.00 N ATOM 335 CA GLN A 776 3.127 1.334 8.518 1.00 0.00 C ATOM 336 C GLN A 776 4.294 0.659 7.802 1.00 0.00 C ATOM 337 O GLN A 776 5.438 0.747 8.247 1.00 0.00 O ATOM 338 CB GLN A 776 2.460 0.354 9.482 1.00 0.00 C ATOM 339 CG GLN A 776 2.398 0.859 10.914 1.00 0.00 C ATOM 340 CD GLN A 776 2.001 2.320 11.001 1.00 0.00 C ATOM 341 OE1 GLN A 776 2.814 3.178 11.351 1.00 0.00 O ATOM 342 NE2 GLN A 776 0.752 2.610 10.675 1.00 0.00 N ATOM 0 H GLN A 776 1.295 1.307 7.503 1.00 0.00 H new ATOM 0 HA GLN A 776 3.518 2.176 9.089 1.00 0.00 H new ATOM 0 HB2 GLN A 776 1.448 0.147 9.134 1.00 0.00 H new ATOM 0 HB3 GLN A 776 3.004 -0.590 9.461 1.00 0.00 H new ATOM 0 HG2 GLN A 776 1.683 0.258 11.477 1.00 0.00 H new ATOM 0 HG3 GLN A 776 3.371 0.722 11.386 1.00 0.00 H new ATOM 0 HE21 GLN A 776 0.113 1.867 10.391 1.00 0.00 H new ATOM 0 HE22 GLN A 776 0.428 3.577 10.708 1.00 0.00 H new ATOM 351 N ALA A 777 4.004 -0.008 6.691 1.00 0.00 N ATOM 352 CA ALA A 777 5.046 -0.631 5.885 1.00 0.00 C ATOM 353 C ALA A 777 5.974 0.431 5.310 1.00 0.00 C ATOM 354 O ALA A 777 7.190 0.244 5.249 1.00 0.00 O ATOM 355 CB ALA A 777 4.435 -1.469 4.771 1.00 0.00 C ATOM 0 H ALA A 777 3.058 -0.131 6.329 1.00 0.00 H new ATOM 0 HA ALA A 777 5.630 -1.292 6.525 1.00 0.00 H new ATOM 0 HB1 ALA A 777 5.230 -1.925 4.181 1.00 0.00 H new ATOM 0 HB2 ALA A 777 3.810 -2.250 5.204 1.00 0.00 H new ATOM 0 HB3 ALA A 777 3.826 -0.832 4.129 1.00 0.00 H new ATOM 361 N LEU A 778 5.388 1.549 4.895 1.00 0.00 N ATOM 362 CA LEU A 778 6.155 2.687 4.410 1.00 0.00 C ATOM 363 C LEU A 778 7.062 3.215 5.512 1.00 0.00 C ATOM 364 O LEU A 778 8.242 3.480 5.285 1.00 0.00 O ATOM 365 CB LEU A 778 5.217 3.797 3.934 1.00 0.00 C ATOM 366 CG LEU A 778 5.751 4.646 2.783 1.00 0.00 C ATOM 367 CD1 LEU A 778 5.027 4.300 1.496 1.00 0.00 C ATOM 368 CD2 LEU A 778 5.613 6.129 3.100 1.00 0.00 C ATOM 0 H LEU A 778 4.378 1.690 4.886 1.00 0.00 H new ATOM 0 HA LEU A 778 6.768 2.359 3.570 1.00 0.00 H new ATOM 0 HB2 LEU A 778 4.273 3.347 3.626 1.00 0.00 H new ATOM 0 HB3 LEU A 778 4.997 4.452 4.777 1.00 0.00 H new ATOM 0 HG LEU A 778 6.811 4.427 2.652 1.00 0.00 H new ATOM 0 HD11 LEU A 778 5.417 4.912 0.683 1.00 0.00 H new ATOM 0 HD12 LEU A 778 5.182 3.246 1.263 1.00 0.00 H new ATOM 0 HD13 LEU A 778 3.961 4.492 1.615 1.00 0.00 H new ATOM 0 HD21 LEU A 778 5.999 6.717 2.267 1.00 0.00 H new ATOM 0 HD22 LEU A 778 4.562 6.371 3.258 1.00 0.00 H new ATOM 0 HD23 LEU A 778 6.179 6.362 4.002 1.00 0.00 H new ATOM 380 N ASN A 779 6.495 3.353 6.706 1.00 0.00 N ATOM 381 CA ASN A 779 7.250 3.780 7.878 1.00 0.00 C ATOM 382 C ASN A 779 8.424 2.841 8.116 1.00 0.00 C ATOM 383 O ASN A 779 9.557 3.279 8.312 1.00 0.00 O ATOM 384 CB ASN A 779 6.347 3.788 9.113 1.00 0.00 C ATOM 385 CG ASN A 779 5.823 5.168 9.460 1.00 0.00 C ATOM 386 OD1 ASN A 779 6.412 6.185 9.092 1.00 0.00 O ATOM 387 ND2 ASN A 779 4.707 5.213 10.175 1.00 0.00 N ATOM 0 H ASN A 779 5.507 3.174 6.888 1.00 0.00 H new ATOM 0 HA ASN A 779 7.625 4.788 7.700 1.00 0.00 H new ATOM 0 HB2 ASN A 779 5.504 3.118 8.943 1.00 0.00 H new ATOM 0 HB3 ASN A 779 6.902 3.392 9.964 1.00 0.00 H new ATOM 0 HD21 ASN A 779 4.307 6.113 10.439 1.00 0.00 H new ATOM 0 HD22 ASN A 779 4.249 4.347 10.460 1.00 0.00 H new ATOM 394 N GLU A 780 8.139 1.545 8.077 1.00 0.00 N ATOM 395 CA GLU A 780 9.149 0.518 8.291 1.00 0.00 C ATOM 396 C GLU A 780 10.276 0.634 7.272 1.00 0.00 C ATOM 397 O GLU A 780 11.441 0.787 7.637 1.00 0.00 O ATOM 398 CB GLU A 780 8.509 -0.870 8.191 1.00 0.00 C ATOM 399 CG GLU A 780 8.843 -1.794 9.356 1.00 0.00 C ATOM 400 CD GLU A 780 10.333 -1.924 9.608 1.00 0.00 C ATOM 401 OE1 GLU A 780 10.888 -1.102 10.370 1.00 0.00 O ATOM 402 OE2 GLU A 780 10.954 -2.858 9.062 1.00 0.00 O ATOM 0 H GLU A 780 7.204 1.178 7.897 1.00 0.00 H new ATOM 0 HA GLU A 780 9.569 0.659 9.287 1.00 0.00 H new ATOM 0 HB2 GLU A 780 7.427 -0.756 8.130 1.00 0.00 H new ATOM 0 HB3 GLU A 780 8.832 -1.341 7.263 1.00 0.00 H new ATOM 0 HG2 GLU A 780 8.360 -1.419 10.258 1.00 0.00 H new ATOM 0 HG3 GLU A 780 8.427 -2.782 9.158 1.00 0.00 H new ATOM 409 N LEU A 781 9.917 0.575 5.999 1.00 0.00 N ATOM 410 CA LEU A 781 10.901 0.565 4.925 1.00 0.00 C ATOM 411 C LEU A 781 11.739 1.838 4.912 1.00 0.00 C ATOM 412 O LEU A 781 12.957 1.776 4.768 1.00 0.00 O ATOM 413 CB LEU A 781 10.204 0.394 3.579 1.00 0.00 C ATOM 414 CG LEU A 781 11.143 0.247 2.387 1.00 0.00 C ATOM 415 CD1 LEU A 781 11.190 -1.201 1.925 1.00 0.00 C ATOM 416 CD2 LEU A 781 10.706 1.165 1.259 1.00 0.00 C ATOM 0 H LEU A 781 8.948 0.533 5.683 1.00 0.00 H new ATOM 0 HA LEU A 781 11.572 -0.276 5.102 1.00 0.00 H new ATOM 0 HB2 LEU A 781 9.561 -0.485 3.628 1.00 0.00 H new ATOM 0 HB3 LEU A 781 9.556 1.254 3.409 1.00 0.00 H new ATOM 0 HG LEU A 781 12.149 0.537 2.692 1.00 0.00 H new ATOM 0 HD11 LEU A 781 11.865 -1.289 1.073 1.00 0.00 H new ATOM 0 HD12 LEU A 781 11.549 -1.831 2.739 1.00 0.00 H new ATOM 0 HD13 LEU A 781 10.191 -1.522 1.631 1.00 0.00 H new ATOM 0 HD21 LEU A 781 11.384 1.051 0.414 1.00 0.00 H new ATOM 0 HD22 LEU A 781 9.694 0.905 0.950 1.00 0.00 H new ATOM 0 HD23 LEU A 781 10.726 2.199 1.603 1.00 0.00 H new ATOM 428 N LEU A 782 11.090 2.986 5.073 1.00 0.00 N ATOM 429 CA LEU A 782 11.783 4.267 5.006 1.00 0.00 C ATOM 430 C LEU A 782 12.863 4.365 6.078 1.00 0.00 C ATOM 431 O LEU A 782 13.980 4.805 5.801 1.00 0.00 O ATOM 432 CB LEU A 782 10.794 5.425 5.138 1.00 0.00 C ATOM 433 CG LEU A 782 10.236 5.946 3.811 1.00 0.00 C ATOM 434 CD1 LEU A 782 9.183 7.014 4.055 1.00 0.00 C ATOM 435 CD2 LEU A 782 11.359 6.487 2.936 1.00 0.00 C ATOM 0 H LEU A 782 10.088 3.056 5.250 1.00 0.00 H new ATOM 0 HA LEU A 782 12.266 4.333 4.031 1.00 0.00 H new ATOM 0 HB2 LEU A 782 9.962 5.104 5.765 1.00 0.00 H new ATOM 0 HB3 LEU A 782 11.286 6.247 5.657 1.00 0.00 H new ATOM 0 HG LEU A 782 9.763 5.115 3.287 1.00 0.00 H new ATOM 0 HD11 LEU A 782 8.799 7.371 3.100 1.00 0.00 H new ATOM 0 HD12 LEU A 782 8.366 6.592 4.640 1.00 0.00 H new ATOM 0 HD13 LEU A 782 9.628 7.846 4.601 1.00 0.00 H new ATOM 0 HD21 LEU A 782 10.944 6.853 1.997 1.00 0.00 H new ATOM 0 HD22 LEU A 782 11.862 7.304 3.453 1.00 0.00 H new ATOM 0 HD23 LEU A 782 12.076 5.692 2.731 1.00 0.00 H new ATOM 701 N ALA A 801 9.192 8.243 -4.088 1.00 0.00 N ATOM 702 CA ALA A 801 8.236 7.182 -4.380 1.00 0.00 C ATOM 703 C ALA A 801 7.402 6.844 -3.150 1.00 0.00 C ATOM 704 O ALA A 801 6.179 6.714 -3.236 1.00 0.00 O ATOM 705 CB ALA A 801 8.956 5.941 -4.889 1.00 0.00 C ATOM 0 HA ALA A 801 7.563 7.540 -5.159 1.00 0.00 H new ATOM 0 HB1 ALA A 801 8.227 5.159 -5.102 1.00 0.00 H new ATOM 0 HB2 ALA A 801 9.503 6.185 -5.800 1.00 0.00 H new ATOM 0 HB3 ALA A 801 9.655 5.589 -4.130 1.00 0.00 H new ATOM 711 N THR A 802 8.062 6.715 -2.005 1.00 0.00 N ATOM 712 CA THR A 802 7.371 6.422 -0.759 1.00 0.00 C ATOM 713 C THR A 802 6.417 7.558 -0.394 1.00 0.00 C ATOM 714 O THR A 802 5.313 7.324 0.103 1.00 0.00 O ATOM 715 CB THR A 802 8.370 6.190 0.389 1.00 0.00 C ATOM 716 OG1 THR A 802 9.611 6.840 0.097 1.00 0.00 O ATOM 717 CG2 THR A 802 8.620 4.703 0.599 1.00 0.00 C ATOM 0 H THR A 802 9.074 6.809 -1.915 1.00 0.00 H new ATOM 0 HA THR A 802 6.796 5.508 -0.906 1.00 0.00 H new ATOM 0 HB THR A 802 7.941 6.607 1.300 1.00 0.00 H new ATOM 0 HG1 THR A 802 10.298 6.166 -0.087 1.00 0.00 H new ATOM 0 HG21 THR A 802 9.329 4.565 1.415 1.00 0.00 H new ATOM 0 HG22 THR A 802 7.681 4.208 0.846 1.00 0.00 H new ATOM 0 HG23 THR A 802 9.029 4.270 -0.314 1.00 0.00 H new ATOM 725 N ASP A 803 6.841 8.789 -0.670 1.00 0.00 N ATOM 726 CA ASP A 803 6.014 9.961 -0.408 1.00 0.00 C ATOM 727 C ASP A 803 4.744 9.920 -1.248 1.00 0.00 C ATOM 728 O ASP A 803 3.646 10.165 -0.744 1.00 0.00 O ATOM 729 CB ASP A 803 6.781 11.248 -0.712 1.00 0.00 C ATOM 730 CG ASP A 803 5.924 12.483 -0.518 1.00 0.00 C ATOM 731 OD1 ASP A 803 5.545 12.775 0.636 1.00 0.00 O ATOM 732 OD2 ASP A 803 5.623 13.167 -1.519 1.00 0.00 O ATOM 0 H ASP A 803 7.753 8.999 -1.075 1.00 0.00 H new ATOM 0 HA ASP A 803 5.747 9.948 0.649 1.00 0.00 H new ATOM 0 HB2 ASP A 803 7.656 11.309 -0.065 1.00 0.00 H new ATOM 0 HB3 ASP A 803 7.146 11.218 -1.739 1.00 0.00 H new ATOM 737 N THR A 804 4.903 9.589 -2.525 1.00 0.00 N ATOM 738 CA THR A 804 3.774 9.483 -3.438 1.00 0.00 C ATOM 739 C THR A 804 2.785 8.424 -2.955 1.00 0.00 C ATOM 740 O THR A 804 1.572 8.646 -2.962 1.00 0.00 O ATOM 741 CB THR A 804 4.259 9.122 -4.859 1.00 0.00 C ATOM 742 OG1 THR A 804 5.419 9.897 -5.187 1.00 0.00 O ATOM 743 CG2 THR A 804 3.168 9.373 -5.888 1.00 0.00 C ATOM 0 H THR A 804 5.808 9.389 -2.951 1.00 0.00 H new ATOM 0 HA THR A 804 3.273 10.451 -3.464 1.00 0.00 H new ATOM 0 HB THR A 804 4.510 8.061 -4.875 1.00 0.00 H new ATOM 0 HG1 THR A 804 5.724 9.664 -6.089 1.00 0.00 H new ATOM 0 HG21 THR A 804 3.536 9.111 -6.880 1.00 0.00 H new ATOM 0 HG22 THR A 804 2.297 8.762 -5.651 1.00 0.00 H new ATOM 0 HG23 THR A 804 2.888 10.426 -5.872 1.00 0.00 H new ATOM 751 N ILE A 805 3.311 7.289 -2.507 1.00 0.00 N ATOM 752 CA ILE A 805 2.482 6.206 -1.993 1.00 0.00 C ATOM 753 C ILE A 805 1.684 6.656 -0.775 1.00 0.00 C ATOM 754 O ILE A 805 0.457 6.580 -0.776 1.00 0.00 O ATOM 755 CB ILE A 805 3.330 4.978 -1.615 1.00 0.00 C ATOM 756 CG1 ILE A 805 3.953 4.361 -2.861 1.00 0.00 C ATOM 757 CG2 ILE A 805 2.492 3.944 -0.878 1.00 0.00 C ATOM 758 CD1 ILE A 805 5.186 3.548 -2.561 1.00 0.00 C ATOM 0 H ILE A 805 4.312 7.095 -2.490 1.00 0.00 H new ATOM 0 HA ILE A 805 1.794 5.928 -2.792 1.00 0.00 H new ATOM 0 HB ILE A 805 4.127 5.308 -0.949 1.00 0.00 H new ATOM 0 HG12 ILE A 805 3.216 3.726 -3.353 1.00 0.00 H new ATOM 0 HG13 ILE A 805 4.209 5.154 -3.563 1.00 0.00 H new ATOM 0 HG21 ILE A 805 3.114 3.087 -0.622 1.00 0.00 H new ATOM 0 HG22 ILE A 805 2.089 4.385 0.034 1.00 0.00 H new ATOM 0 HG23 ILE A 805 1.671 3.619 -1.517 1.00 0.00 H new ATOM 0 HD11 ILE A 805 5.584 3.135 -3.488 1.00 0.00 H new ATOM 0 HD12 ILE A 805 5.938 4.186 -2.096 1.00 0.00 H new ATOM 0 HD13 ILE A 805 4.929 2.735 -1.882 1.00 0.00 H new ATOM 770 N LEU A 806 2.389 7.127 0.255 1.00 0.00 N ATOM 771 CA LEU A 806 1.744 7.582 1.491 1.00 0.00 C ATOM 772 C LEU A 806 0.693 8.653 1.198 1.00 0.00 C ATOM 773 O LEU A 806 -0.387 8.646 1.785 1.00 0.00 O ATOM 774 CB LEU A 806 2.787 8.121 2.480 1.00 0.00 C ATOM 775 CG LEU A 806 2.615 7.673 3.941 1.00 0.00 C ATOM 776 CD1 LEU A 806 3.577 8.429 4.844 1.00 0.00 C ATOM 777 CD2 LEU A 806 1.184 7.877 4.415 1.00 0.00 C ATOM 0 H LEU A 806 3.406 7.204 0.259 1.00 0.00 H new ATOM 0 HA LEU A 806 1.245 6.725 1.942 1.00 0.00 H new ATOM 0 HB2 LEU A 806 3.776 7.815 2.139 1.00 0.00 H new ATOM 0 HB3 LEU A 806 2.762 9.210 2.448 1.00 0.00 H new ATOM 0 HG LEU A 806 2.842 6.608 3.993 1.00 0.00 H new ATOM 0 HD11 LEU A 806 3.443 8.101 5.875 1.00 0.00 H new ATOM 0 HD12 LEU A 806 4.602 8.231 4.531 1.00 0.00 H new ATOM 0 HD13 LEU A 806 3.377 9.498 4.775 1.00 0.00 H new ATOM 0 HD21 LEU A 806 1.094 7.551 5.451 1.00 0.00 H new ATOM 0 HD22 LEU A 806 0.924 8.933 4.343 1.00 0.00 H new ATOM 0 HD23 LEU A 806 0.507 7.293 3.791 1.00 0.00 H new ATOM 789 N THR A 807 1.006 9.562 0.282 1.00 0.00 N ATOM 790 CA THR A 807 0.052 10.584 -0.126 1.00 0.00 C ATOM 791 C THR A 807 -1.212 9.940 -0.691 1.00 0.00 C ATOM 792 O THR A 807 -2.324 10.367 -0.393 1.00 0.00 O ATOM 793 CB THR A 807 0.663 11.534 -1.175 1.00 0.00 C ATOM 794 OG1 THR A 807 1.831 12.165 -0.631 1.00 0.00 O ATOM 795 CG2 THR A 807 -0.337 12.597 -1.605 1.00 0.00 C ATOM 0 H THR A 807 1.909 9.612 -0.190 1.00 0.00 H new ATOM 0 HA THR A 807 -0.205 11.167 0.759 1.00 0.00 H new ATOM 0 HB THR A 807 0.933 10.945 -2.051 1.00 0.00 H new ATOM 0 HG1 THR A 807 2.609 11.584 -0.764 1.00 0.00 H new ATOM 0 HG21 THR A 807 0.123 13.252 -2.345 1.00 0.00 H new ATOM 0 HG22 THR A 807 -1.214 12.117 -2.040 1.00 0.00 H new ATOM 0 HG23 THR A 807 -0.638 13.185 -0.738 1.00 0.00 H new ATOM 803 N VAL A 808 -1.027 8.894 -1.484 1.00 0.00 N ATOM 804 CA VAL A 808 -2.142 8.156 -2.057 1.00 0.00 C ATOM 805 C VAL A 808 -2.987 7.509 -0.956 1.00 0.00 C ATOM 806 O VAL A 808 -4.215 7.612 -0.964 1.00 0.00 O ATOM 807 CB VAL A 808 -1.637 7.074 -3.041 1.00 0.00 C ATOM 808 CG1 VAL A 808 -2.616 5.916 -3.147 1.00 0.00 C ATOM 809 CG2 VAL A 808 -1.378 7.683 -4.410 1.00 0.00 C ATOM 0 H VAL A 808 -0.108 8.536 -1.746 1.00 0.00 H new ATOM 0 HA VAL A 808 -2.764 8.863 -2.606 1.00 0.00 H new ATOM 0 HB VAL A 808 -0.700 6.678 -2.650 1.00 0.00 H new ATOM 0 HG11 VAL A 808 -2.229 5.175 -3.847 1.00 0.00 H new ATOM 0 HG12 VAL A 808 -2.744 5.457 -2.167 1.00 0.00 H new ATOM 0 HG13 VAL A 808 -3.578 6.284 -3.504 1.00 0.00 H new ATOM 0 HG21 VAL A 808 -1.023 6.909 -5.091 1.00 0.00 H new ATOM 0 HG22 VAL A 808 -2.302 8.112 -4.798 1.00 0.00 H new ATOM 0 HG23 VAL A 808 -0.623 8.464 -4.324 1.00 0.00 H new ATOM 819 N THR A 809 -2.324 6.863 0.001 1.00 0.00 N ATOM 820 CA THR A 809 -3.017 6.212 1.105 1.00 0.00 C ATOM 821 C THR A 809 -3.769 7.239 1.946 1.00 0.00 C ATOM 822 O THR A 809 -4.924 7.028 2.329 1.00 0.00 O ATOM 823 CB THR A 809 -2.029 5.438 1.998 1.00 0.00 C ATOM 824 OG1 THR A 809 -0.747 5.374 1.361 1.00 0.00 O ATOM 825 CG2 THR A 809 -2.533 4.031 2.270 1.00 0.00 C ATOM 0 H THR A 809 -1.308 6.778 0.032 1.00 0.00 H new ATOM 0 HA THR A 809 -3.730 5.507 0.679 1.00 0.00 H new ATOM 0 HB THR A 809 -1.941 5.965 2.948 1.00 0.00 H new ATOM 0 HG1 THR A 809 -0.122 4.882 1.933 1.00 0.00 H new ATOM 0 HG21 THR A 809 -1.818 3.504 2.902 1.00 0.00 H new ATOM 0 HG22 THR A 809 -3.497 4.081 2.776 1.00 0.00 H new ATOM 0 HG23 THR A 809 -2.646 3.496 1.327 1.00 0.00 H new ATOM 833 N GLU A 810 -3.111 8.359 2.205 1.00 0.00 N ATOM 834 CA GLU A 810 -3.718 9.462 2.931 1.00 0.00 C ATOM 835 C GLU A 810 -4.907 10.022 2.150 1.00 0.00 C ATOM 836 O GLU A 810 -5.929 10.392 2.732 1.00 0.00 O ATOM 837 CB GLU A 810 -2.675 10.552 3.177 1.00 0.00 C ATOM 838 CG GLU A 810 -2.621 11.028 4.616 1.00 0.00 C ATOM 839 CD GLU A 810 -2.979 12.491 4.750 1.00 0.00 C ATOM 840 OE1 GLU A 810 -2.209 13.342 4.256 1.00 0.00 O ATOM 841 OE2 GLU A 810 -4.035 12.795 5.349 1.00 0.00 O ATOM 0 H GLU A 810 -2.146 8.528 1.919 1.00 0.00 H new ATOM 0 HA GLU A 810 -4.083 9.099 3.892 1.00 0.00 H new ATOM 0 HB2 GLU A 810 -1.693 10.175 2.891 1.00 0.00 H new ATOM 0 HB3 GLU A 810 -2.891 11.402 2.530 1.00 0.00 H new ATOM 0 HG2 GLU A 810 -3.306 10.432 5.220 1.00 0.00 H new ATOM 0 HG3 GLU A 810 -1.620 10.863 5.014 1.00 0.00 H new ATOM 848 N ASN A 811 -4.766 10.063 0.829 1.00 0.00 N ATOM 849 CA ASN A 811 -5.841 10.509 -0.053 1.00 0.00 C ATOM 850 C ASN A 811 -7.052 9.600 0.086 1.00 0.00 C ATOM 851 O ASN A 811 -8.178 10.074 0.227 1.00 0.00 O ATOM 852 CB ASN A 811 -5.380 10.507 -1.512 1.00 0.00 C ATOM 853 CG ASN A 811 -4.719 11.804 -1.930 1.00 0.00 C ATOM 854 OD1 ASN A 811 -4.910 12.847 -1.306 1.00 0.00 O ATOM 855 ND2 ASN A 811 -3.940 11.744 -2.996 1.00 0.00 N ATOM 0 H ASN A 811 -3.912 9.791 0.342 1.00 0.00 H new ATOM 0 HA ASN A 811 -6.112 11.524 0.237 1.00 0.00 H new ATOM 0 HB2 ASN A 811 -4.681 9.685 -1.664 1.00 0.00 H new ATOM 0 HB3 ASN A 811 -6.238 10.319 -2.157 1.00 0.00 H new ATOM 0 HD21 ASN A 811 -3.469 12.584 -3.331 1.00 0.00 H new ATOM 0 HD22 ASN A 811 -3.810 10.857 -3.483 1.00 0.00 H new ATOM 862 N ILE A 812 -6.809 8.293 0.046 1.00 0.00 N ATOM 863 CA ILE A 812 -7.871 7.305 0.207 1.00 0.00 C ATOM 864 C ILE A 812 -8.566 7.484 1.554 1.00 0.00 C ATOM 865 O ILE A 812 -9.792 7.445 1.637 1.00 0.00 O ATOM 866 CB ILE A 812 -7.324 5.860 0.082 1.00 0.00 C ATOM 867 CG1 ILE A 812 -7.020 5.536 -1.380 1.00 0.00 C ATOM 868 CG2 ILE A 812 -8.308 4.844 0.649 1.00 0.00 C ATOM 869 CD1 ILE A 812 -5.723 4.786 -1.579 1.00 0.00 C ATOM 0 H ILE A 812 -5.882 7.892 -0.097 1.00 0.00 H new ATOM 0 HA ILE A 812 -8.594 7.465 -0.593 1.00 0.00 H new ATOM 0 HB ILE A 812 -6.403 5.799 0.662 1.00 0.00 H new ATOM 0 HG12 ILE A 812 -7.838 4.944 -1.789 1.00 0.00 H new ATOM 0 HG13 ILE A 812 -6.983 6.465 -1.949 1.00 0.00 H new ATOM 0 HG21 ILE A 812 -7.895 3.841 0.546 1.00 0.00 H new ATOM 0 HG22 ILE A 812 -8.484 5.057 1.703 1.00 0.00 H new ATOM 0 HG23 ILE A 812 -9.250 4.906 0.104 1.00 0.00 H new ATOM 0 HD11 ILE A 812 -5.575 4.591 -2.641 1.00 0.00 H new ATOM 0 HD12 ILE A 812 -4.895 5.385 -1.201 1.00 0.00 H new ATOM 0 HD13 ILE A 812 -5.763 3.840 -1.039 1.00 0.00 H new ATOM 881 N PHE A 813 -7.777 7.710 2.599 1.00 0.00 N ATOM 882 CA PHE A 813 -8.314 7.936 3.937 1.00 0.00 C ATOM 883 C PHE A 813 -9.249 9.143 3.954 1.00 0.00 C ATOM 884 O PHE A 813 -10.288 9.133 4.614 1.00 0.00 O ATOM 885 CB PHE A 813 -7.177 8.151 4.937 1.00 0.00 C ATOM 886 CG PHE A 813 -6.690 6.886 5.583 1.00 0.00 C ATOM 887 CD1 PHE A 813 -7.588 5.939 6.049 1.00 0.00 C ATOM 888 CD2 PHE A 813 -5.333 6.645 5.725 1.00 0.00 C ATOM 889 CE1 PHE A 813 -7.141 4.776 6.644 1.00 0.00 C ATOM 890 CE2 PHE A 813 -4.881 5.484 6.320 1.00 0.00 C ATOM 891 CZ PHE A 813 -5.787 4.549 6.780 1.00 0.00 C ATOM 0 H PHE A 813 -6.759 7.742 2.545 1.00 0.00 H new ATOM 0 HA PHE A 813 -8.883 7.051 4.224 1.00 0.00 H new ATOM 0 HB2 PHE A 813 -6.343 8.631 4.426 1.00 0.00 H new ATOM 0 HB3 PHE A 813 -7.514 8.838 5.713 1.00 0.00 H new ATOM 0 HD1 PHE A 813 -8.649 6.113 5.946 1.00 0.00 H new ATOM 0 HD2 PHE A 813 -4.621 7.373 5.366 1.00 0.00 H new ATOM 0 HE1 PHE A 813 -7.850 4.045 7.003 1.00 0.00 H new ATOM 0 HE2 PHE A 813 -3.821 5.307 6.425 1.00 0.00 H new ATOM 0 HZ PHE A 813 -5.436 3.640 7.246 1.00 0.00 H new ATOM 901 N SER A 814 -8.876 10.178 3.213 1.00 0.00 N ATOM 902 CA SER A 814 -9.662 11.401 3.143 1.00 0.00 C ATOM 903 C SER A 814 -10.763 11.305 2.083 1.00 0.00 C ATOM 904 O SER A 814 -11.523 12.253 1.876 1.00 0.00 O ATOM 905 CB SER A 814 -8.739 12.585 2.854 1.00 0.00 C ATOM 906 OG SER A 814 -7.805 12.761 3.907 1.00 0.00 O ATOM 0 H SER A 814 -8.027 10.193 2.648 1.00 0.00 H new ATOM 0 HA SER A 814 -10.152 11.549 4.105 1.00 0.00 H new ATOM 0 HB2 SER A 814 -8.210 12.419 1.916 1.00 0.00 H new ATOM 0 HB3 SER A 814 -9.331 13.492 2.730 1.00 0.00 H new ATOM 0 HG SER A 814 -7.069 12.123 3.801 1.00 0.00 H new ATOM 912 N SER A 815 -10.851 10.157 1.422 1.00 0.00 N ATOM 913 CA SER A 815 -11.868 9.934 0.403 1.00 0.00 C ATOM 914 C SER A 815 -12.615 8.631 0.662 1.00 0.00 C ATOM 915 O SER A 815 -13.169 8.032 -0.258 1.00 0.00 O ATOM 916 CB SER A 815 -11.228 9.908 -0.987 1.00 0.00 C ATOM 917 OG SER A 815 -10.289 10.963 -1.132 1.00 0.00 O ATOM 0 H SER A 815 -10.228 9.364 1.575 1.00 0.00 H new ATOM 0 HA SER A 815 -12.583 10.755 0.447 1.00 0.00 H new ATOM 0 HB2 SER A 815 -10.732 8.950 -1.146 1.00 0.00 H new ATOM 0 HB3 SER A 815 -12.002 9.997 -1.750 1.00 0.00 H new ATOM 0 HG SER A 815 -9.462 10.733 -0.659 1.00 0.00 H new ATOM 923 N MET A 816 -12.621 8.204 1.921 1.00 0.00 N ATOM 924 CA MET A 816 -13.280 6.962 2.318 1.00 0.00 C ATOM 925 C MET A 816 -14.774 7.042 2.046 1.00 0.00 C ATOM 926 O MET A 816 -15.517 7.717 2.760 1.00 0.00 O ATOM 927 CB MET A 816 -13.032 6.680 3.799 1.00 0.00 C ATOM 928 CG MET A 816 -11.739 5.939 4.064 1.00 0.00 C ATOM 929 SD MET A 816 -11.982 4.168 4.288 1.00 0.00 S ATOM 930 CE MET A 816 -10.404 3.709 4.994 1.00 0.00 C ATOM 0 H MET A 816 -12.174 8.703 2.690 1.00 0.00 H new ATOM 0 HA MET A 816 -12.861 6.146 1.729 1.00 0.00 H new ATOM 0 HB2 MET A 816 -13.019 7.624 4.343 1.00 0.00 H new ATOM 0 HB3 MET A 816 -13.864 6.096 4.194 1.00 0.00 H new ATOM 0 HG2 MET A 816 -11.054 6.105 3.233 1.00 0.00 H new ATOM 0 HG3 MET A 816 -11.265 6.352 4.955 1.00 0.00 H new ATOM 0 HE1 MET A 816 -10.554 2.937 5.748 1.00 0.00 H new ATOM 0 HE2 MET A 816 -9.751 3.327 4.209 1.00 0.00 H new ATOM 0 HE3 MET A 816 -9.944 4.583 5.456 1.00 0.00 H new ATOM 940 N GLY A 817 -15.201 6.358 1.001 1.00 0.00 N ATOM 941 CA GLY A 817 -16.585 6.405 0.590 1.00 0.00 C ATOM 942 C GLY A 817 -16.696 6.693 -0.887 1.00 0.00 C ATOM 943 O GLY A 817 -17.563 6.152 -1.573 1.00 0.00 O ATOM 0 H GLY A 817 -14.606 5.764 0.423 1.00 0.00 H new ATOM 0 HA2 GLY A 817 -17.069 5.455 0.817 1.00 0.00 H new ATOM 0 HA3 GLY A 817 -17.111 7.174 1.156 1.00 0.00 H new ATOM 947 N ASP A 818 -15.795 7.531 -1.381 1.00 0.00 N ATOM 948 CA ASP A 818 -15.740 7.843 -2.802 1.00 0.00 C ATOM 949 C ASP A 818 -14.938 6.773 -3.521 1.00 0.00 C ATOM 950 O ASP A 818 -13.730 6.916 -3.730 1.00 0.00 O ATOM 951 CB ASP A 818 -15.118 9.222 -3.041 1.00 0.00 C ATOM 952 CG ASP A 818 -15.326 9.718 -4.463 1.00 0.00 C ATOM 953 OD1 ASP A 818 -16.003 9.026 -5.256 1.00 0.00 O ATOM 954 OD2 ASP A 818 -14.815 10.810 -4.793 1.00 0.00 O ATOM 0 H ASP A 818 -15.091 8.008 -0.817 1.00 0.00 H new ATOM 0 HA ASP A 818 -16.757 7.864 -3.195 1.00 0.00 H new ATOM 0 HB2 ASP A 818 -15.552 9.938 -2.343 1.00 0.00 H new ATOM 0 HB3 ASP A 818 -14.050 9.177 -2.828 1.00 0.00 H new ATOM 959 N ALA A 819 -15.625 5.698 -3.879 1.00 0.00 N ATOM 960 CA ALA A 819 -15.005 4.541 -4.512 1.00 0.00 C ATOM 961 C ALA A 819 -14.174 4.935 -5.728 1.00 0.00 C ATOM 962 O ALA A 819 -13.069 4.431 -5.923 1.00 0.00 O ATOM 963 CB ALA A 819 -16.078 3.546 -4.909 1.00 0.00 C ATOM 0 H ALA A 819 -16.631 5.602 -3.739 1.00 0.00 H new ATOM 0 HA ALA A 819 -14.327 4.084 -3.791 1.00 0.00 H new ATOM 0 HB1 ALA A 819 -15.614 2.681 -5.383 1.00 0.00 H new ATOM 0 HB2 ALA A 819 -16.623 3.225 -4.021 1.00 0.00 H new ATOM 0 HB3 ALA A 819 -16.769 4.016 -5.609 1.00 0.00 H new ATOM 969 N GLY A 820 -14.710 5.846 -6.533 1.00 0.00 N ATOM 970 CA GLY A 820 -14.019 6.298 -7.723 1.00 0.00 C ATOM 971 C GLY A 820 -12.660 6.891 -7.418 1.00 0.00 C ATOM 972 O GLY A 820 -11.675 6.570 -8.084 1.00 0.00 O ATOM 0 H GLY A 820 -15.619 6.282 -6.379 1.00 0.00 H new ATOM 0 HA2 GLY A 820 -13.900 5.460 -8.410 1.00 0.00 H new ATOM 0 HA3 GLY A 820 -14.630 7.043 -8.233 1.00 0.00 H new ATOM 976 N GLU A 821 -12.597 7.749 -6.409 1.00 0.00 N ATOM 977 CA GLU A 821 -11.336 8.356 -6.010 1.00 0.00 C ATOM 978 C GLU A 821 -10.447 7.325 -5.331 1.00 0.00 C ATOM 979 O GLU A 821 -9.245 7.267 -5.582 1.00 0.00 O ATOM 980 CB GLU A 821 -11.578 9.535 -5.068 1.00 0.00 C ATOM 981 CG GLU A 821 -10.344 10.395 -4.845 1.00 0.00 C ATOM 982 CD GLU A 821 -10.013 11.254 -6.048 1.00 0.00 C ATOM 983 OE1 GLU A 821 -10.902 12.002 -6.507 1.00 0.00 O ATOM 984 OE2 GLU A 821 -8.863 11.191 -6.537 1.00 0.00 O ATOM 0 H GLU A 821 -13.402 8.039 -5.854 1.00 0.00 H new ATOM 0 HA GLU A 821 -10.836 8.723 -6.906 1.00 0.00 H new ATOM 0 HB2 GLU A 821 -12.376 10.157 -5.474 1.00 0.00 H new ATOM 0 HB3 GLU A 821 -11.926 9.157 -4.107 1.00 0.00 H new ATOM 0 HG2 GLU A 821 -10.503 11.035 -3.977 1.00 0.00 H new ATOM 0 HG3 GLU A 821 -9.494 9.753 -4.616 1.00 0.00 H new ATOM 991 N MET A 822 -11.055 6.505 -4.483 1.00 0.00 N ATOM 992 CA MET A 822 -10.328 5.479 -3.747 1.00 0.00 C ATOM 993 C MET A 822 -9.624 4.521 -4.699 1.00 0.00 C ATOM 994 O MET A 822 -8.425 4.284 -4.572 1.00 0.00 O ATOM 995 CB MET A 822 -11.280 4.701 -2.841 1.00 0.00 C ATOM 996 CG MET A 822 -11.540 5.376 -1.505 1.00 0.00 C ATOM 997 SD MET A 822 -13.012 4.736 -0.682 1.00 0.00 S ATOM 998 CE MET A 822 -12.695 2.976 -0.764 1.00 0.00 C ATOM 0 H MET A 822 -12.056 6.531 -4.287 1.00 0.00 H new ATOM 0 HA MET A 822 -9.575 5.974 -3.134 1.00 0.00 H new ATOM 0 HB2 MET A 822 -12.229 4.563 -3.359 1.00 0.00 H new ATOM 0 HB3 MET A 822 -10.867 3.708 -2.662 1.00 0.00 H new ATOM 0 HG2 MET A 822 -10.675 5.236 -0.856 1.00 0.00 H new ATOM 0 HG3 MET A 822 -11.652 6.449 -1.660 1.00 0.00 H new ATOM 0 HE1 MET A 822 -13.271 2.466 0.008 1.00 0.00 H new ATOM 0 HE2 MET A 822 -12.988 2.599 -1.744 1.00 0.00 H new ATOM 0 HE3 MET A 822 -11.633 2.790 -0.607 1.00 0.00 H new ATOM 1008 N VAL A 823 -10.371 3.984 -5.658 1.00 0.00 N ATOM 1009 CA VAL A 823 -9.812 3.059 -6.637 1.00 0.00 C ATOM 1010 C VAL A 823 -8.806 3.775 -7.534 1.00 0.00 C ATOM 1011 O VAL A 823 -7.784 3.203 -7.915 1.00 0.00 O ATOM 1012 CB VAL A 823 -10.916 2.406 -7.501 1.00 0.00 C ATOM 1013 CG1 VAL A 823 -10.318 1.542 -8.603 1.00 0.00 C ATOM 1014 CG2 VAL A 823 -11.850 1.579 -6.631 1.00 0.00 C ATOM 0 H VAL A 823 -11.366 4.174 -5.778 1.00 0.00 H new ATOM 0 HA VAL A 823 -9.303 2.268 -6.086 1.00 0.00 H new ATOM 0 HB VAL A 823 -11.487 3.205 -7.973 1.00 0.00 H new ATOM 0 HG11 VAL A 823 -11.120 1.097 -9.192 1.00 0.00 H new ATOM 0 HG12 VAL A 823 -9.692 2.158 -9.249 1.00 0.00 H new ATOM 0 HG13 VAL A 823 -9.714 0.752 -8.158 1.00 0.00 H new ATOM 0 HG21 VAL A 823 -12.621 1.126 -7.254 1.00 0.00 H new ATOM 0 HG22 VAL A 823 -11.282 0.795 -6.130 1.00 0.00 H new ATOM 0 HG23 VAL A 823 -12.317 2.222 -5.885 1.00 0.00 H new ATOM 1024 N ARG A 824 -9.095 5.034 -7.853 1.00 0.00 N ATOM 1025 CA ARG A 824 -8.179 5.855 -8.638 1.00 0.00 C ATOM 1026 C ARG A 824 -6.816 5.915 -7.957 1.00 0.00 C ATOM 1027 O ARG A 824 -5.791 5.605 -8.564 1.00 0.00 O ATOM 1028 CB ARG A 824 -8.742 7.271 -8.813 1.00 0.00 C ATOM 1029 CG ARG A 824 -7.885 8.174 -9.687 1.00 0.00 C ATOM 1030 CD ARG A 824 -7.094 9.171 -8.852 1.00 0.00 C ATOM 1031 NE ARG A 824 -7.649 10.522 -8.933 1.00 0.00 N ATOM 1032 CZ ARG A 824 -7.285 11.426 -9.844 1.00 0.00 C ATOM 1033 NH1 ARG A 824 -6.342 11.137 -10.733 1.00 0.00 N ATOM 1034 NH2 ARG A 824 -7.865 12.616 -9.862 1.00 0.00 N ATOM 0 H ARG A 824 -9.956 5.507 -7.580 1.00 0.00 H new ATOM 0 HA ARG A 824 -8.065 5.402 -9.623 1.00 0.00 H new ATOM 0 HB2 ARG A 824 -9.740 7.203 -9.247 1.00 0.00 H new ATOM 0 HB3 ARG A 824 -8.852 7.731 -7.831 1.00 0.00 H new ATOM 0 HG2 ARG A 824 -7.199 7.566 -10.277 1.00 0.00 H new ATOM 0 HG3 ARG A 824 -8.521 8.711 -10.391 1.00 0.00 H new ATOM 0 HD2 ARG A 824 -7.085 8.845 -7.812 1.00 0.00 H new ATOM 0 HD3 ARG A 824 -6.058 9.185 -9.190 1.00 0.00 H new ATOM 0 HE ARG A 824 -8.358 10.789 -8.251 1.00 0.00 H new ATOM 0 HH11 ARG A 824 -5.893 10.221 -10.721 1.00 0.00 H new ATOM 0 HH12 ARG A 824 -6.066 11.831 -11.428 1.00 0.00 H new ATOM 0 HH21 ARG A 824 -8.589 12.841 -9.180 1.00 0.00 H new ATOM 0 HH22 ARG A 824 -7.588 13.308 -10.558 1.00 0.00 H new ATOM 1048 N GLN A 825 -6.819 6.297 -6.686 1.00 0.00 N ATOM 1049 CA GLN A 825 -5.589 6.396 -5.918 1.00 0.00 C ATOM 1050 C GLN A 825 -4.970 5.019 -5.711 1.00 0.00 C ATOM 1051 O GLN A 825 -3.761 4.854 -5.834 1.00 0.00 O ATOM 1052 CB GLN A 825 -5.857 7.062 -4.569 1.00 0.00 C ATOM 1053 CG GLN A 825 -6.532 8.417 -4.687 1.00 0.00 C ATOM 1054 CD GLN A 825 -5.555 9.534 -4.989 1.00 0.00 C ATOM 1055 OE1 GLN A 825 -4.378 9.461 -4.638 1.00 0.00 O ATOM 1056 NE2 GLN A 825 -6.037 10.582 -5.636 1.00 0.00 N ATOM 0 H GLN A 825 -7.662 6.543 -6.167 1.00 0.00 H new ATOM 0 HA GLN A 825 -4.884 7.010 -6.479 1.00 0.00 H new ATOM 0 HB2 GLN A 825 -6.483 6.404 -3.966 1.00 0.00 H new ATOM 0 HB3 GLN A 825 -4.913 7.180 -4.037 1.00 0.00 H new ATOM 0 HG2 GLN A 825 -7.285 8.376 -5.474 1.00 0.00 H new ATOM 0 HG3 GLN A 825 -7.055 8.640 -3.757 1.00 0.00 H new ATOM 0 HE21 GLN A 825 -7.019 10.605 -5.910 1.00 0.00 H new ATOM 0 HE22 GLN A 825 -5.426 11.368 -5.861 1.00 0.00 H new ATOM 1065 N ALA A 826 -5.809 4.029 -5.419 1.00 0.00 N ATOM 1066 CA ALA A 826 -5.343 2.666 -5.191 1.00 0.00 C ATOM 1067 C ALA A 826 -4.611 2.114 -6.414 1.00 0.00 C ATOM 1068 O ALA A 826 -3.633 1.377 -6.284 1.00 0.00 O ATOM 1069 CB ALA A 826 -6.508 1.761 -4.816 1.00 0.00 C ATOM 0 H ALA A 826 -6.819 4.147 -5.335 1.00 0.00 H new ATOM 0 HA ALA A 826 -4.636 2.691 -4.362 1.00 0.00 H new ATOM 0 HB1 ALA A 826 -6.143 0.748 -4.649 1.00 0.00 H new ATOM 0 HB2 ALA A 826 -6.978 2.132 -3.905 1.00 0.00 H new ATOM 0 HB3 ALA A 826 -7.239 1.755 -5.625 1.00 0.00 H new ATOM 1075 N ARG A 827 -5.083 2.479 -7.601 1.00 0.00 N ATOM 1076 CA ARG A 827 -4.435 2.066 -8.838 1.00 0.00 C ATOM 1077 C ARG A 827 -3.059 2.715 -8.963 1.00 0.00 C ATOM 1078 O ARG A 827 -2.098 2.083 -9.402 1.00 0.00 O ATOM 1079 CB ARG A 827 -5.307 2.423 -10.040 1.00 0.00 C ATOM 1080 CG ARG A 827 -6.318 1.343 -10.386 1.00 0.00 C ATOM 1081 CD ARG A 827 -7.320 1.820 -11.424 1.00 0.00 C ATOM 1082 NE ARG A 827 -6.669 2.422 -12.587 1.00 0.00 N ATOM 1083 CZ ARG A 827 -7.198 3.415 -13.300 1.00 0.00 C ATOM 1084 NH1 ARG A 827 -8.399 3.893 -12.996 1.00 0.00 N ATOM 1085 NH2 ARG A 827 -6.540 3.918 -14.335 1.00 0.00 N ATOM 0 H ARG A 827 -5.911 3.060 -7.732 1.00 0.00 H new ATOM 0 HA ARG A 827 -4.304 0.984 -8.816 1.00 0.00 H new ATOM 0 HB2 ARG A 827 -5.835 3.354 -9.834 1.00 0.00 H new ATOM 0 HB3 ARG A 827 -4.668 2.604 -10.904 1.00 0.00 H new ATOM 0 HG2 ARG A 827 -5.796 0.463 -10.762 1.00 0.00 H new ATOM 0 HG3 ARG A 827 -6.847 1.038 -9.483 1.00 0.00 H new ATOM 0 HD2 ARG A 827 -7.933 0.979 -11.748 1.00 0.00 H new ATOM 0 HD3 ARG A 827 -7.992 2.548 -10.969 1.00 0.00 H new ATOM 0 HE ARG A 827 -5.758 2.061 -12.868 1.00 0.00 H new ATOM 0 HH11 ARG A 827 -8.921 3.500 -12.213 1.00 0.00 H new ATOM 0 HH12 ARG A 827 -8.799 4.654 -13.545 1.00 0.00 H new ATOM 0 HH21 ARG A 827 -5.625 3.545 -14.588 1.00 0.00 H new ATOM 0 HH22 ARG A 827 -6.949 4.678 -14.878 1.00 0.00 H new ATOM 1099 N ILE A 828 -2.969 3.978 -8.566 1.00 0.00 N ATOM 1100 CA ILE A 828 -1.689 4.675 -8.524 1.00 0.00 C ATOM 1101 C ILE A 828 -0.785 4.025 -7.483 1.00 0.00 C ATOM 1102 O ILE A 828 0.408 3.830 -7.712 1.00 0.00 O ATOM 1103 CB ILE A 828 -1.870 6.173 -8.182 1.00 0.00 C ATOM 1104 CG1 ILE A 828 -2.709 6.866 -9.254 1.00 0.00 C ATOM 1105 CG2 ILE A 828 -0.519 6.863 -8.035 1.00 0.00 C ATOM 1106 CD1 ILE A 828 -3.595 7.966 -8.708 1.00 0.00 C ATOM 0 H ILE A 828 -3.766 4.541 -8.269 1.00 0.00 H new ATOM 0 HA ILE A 828 -1.235 4.603 -9.512 1.00 0.00 H new ATOM 0 HB ILE A 828 -2.394 6.244 -7.229 1.00 0.00 H new ATOM 0 HG12 ILE A 828 -2.045 7.286 -10.009 1.00 0.00 H new ATOM 0 HG13 ILE A 828 -3.331 6.124 -9.754 1.00 0.00 H new ATOM 0 HG21 ILE A 828 -0.672 7.915 -7.795 1.00 0.00 H new ATOM 0 HG22 ILE A 828 0.048 6.387 -7.235 1.00 0.00 H new ATOM 0 HG23 ILE A 828 0.035 6.781 -8.970 1.00 0.00 H new ATOM 0 HD11 ILE A 828 -4.162 8.415 -9.523 1.00 0.00 H new ATOM 0 HD12 ILE A 828 -4.284 7.548 -7.974 1.00 0.00 H new ATOM 0 HD13 ILE A 828 -2.978 8.728 -8.233 1.00 0.00 H new ATOM 1118 N LEU A 829 -1.383 3.676 -6.349 1.00 0.00 N ATOM 1119 CA LEU A 829 -0.677 3.012 -5.261 1.00 0.00 C ATOM 1120 C LEU A 829 -0.039 1.710 -5.738 1.00 0.00 C ATOM 1121 O LEU A 829 1.147 1.477 -5.516 1.00 0.00 O ATOM 1122 CB LEU A 829 -1.669 2.736 -4.118 1.00 0.00 C ATOM 1123 CG LEU A 829 -1.240 1.705 -3.069 1.00 0.00 C ATOM 1124 CD1 LEU A 829 0.020 2.154 -2.350 1.00 0.00 C ATOM 1125 CD2 LEU A 829 -2.361 1.483 -2.073 1.00 0.00 C ATOM 0 H LEU A 829 -2.371 3.846 -6.159 1.00 0.00 H new ATOM 0 HA LEU A 829 0.123 3.661 -4.905 1.00 0.00 H new ATOM 0 HB2 LEU A 829 -1.870 3.678 -3.607 1.00 0.00 H new ATOM 0 HB3 LEU A 829 -2.610 2.404 -4.557 1.00 0.00 H new ATOM 0 HG LEU A 829 -1.023 0.766 -3.578 1.00 0.00 H new ATOM 0 HD11 LEU A 829 0.304 1.405 -1.611 1.00 0.00 H new ATOM 0 HD12 LEU A 829 0.827 2.275 -3.072 1.00 0.00 H new ATOM 0 HD13 LEU A 829 -0.165 3.105 -1.850 1.00 0.00 H new ATOM 0 HD21 LEU A 829 -2.048 0.749 -1.331 1.00 0.00 H new ATOM 0 HD22 LEU A 829 -2.597 2.424 -1.576 1.00 0.00 H new ATOM 0 HD23 LEU A 829 -3.245 1.117 -2.595 1.00 0.00 H new ATOM 1137 N ALA A 830 -0.820 0.890 -6.433 1.00 0.00 N ATOM 1138 CA ALA A 830 -0.330 -0.384 -6.947 1.00 0.00 C ATOM 1139 C ALA A 830 0.862 -0.178 -7.873 1.00 0.00 C ATOM 1140 O ALA A 830 1.838 -0.928 -7.825 1.00 0.00 O ATOM 1141 CB ALA A 830 -1.443 -1.128 -7.672 1.00 0.00 C ATOM 0 H ALA A 830 -1.797 1.085 -6.654 1.00 0.00 H new ATOM 0 HA ALA A 830 -0.001 -0.986 -6.100 1.00 0.00 H new ATOM 0 HB1 ALA A 830 -1.061 -2.076 -8.049 1.00 0.00 H new ATOM 0 HB2 ALA A 830 -2.265 -1.317 -6.981 1.00 0.00 H new ATOM 0 HB3 ALA A 830 -1.802 -0.524 -8.505 1.00 0.00 H new ATOM 1147 N GLN A 831 0.783 0.855 -8.697 1.00 0.00 N ATOM 1148 CA GLN A 831 1.846 1.176 -9.639 1.00 0.00 C ATOM 1149 C GLN A 831 3.077 1.718 -8.907 1.00 0.00 C ATOM 1150 O GLN A 831 4.205 1.289 -9.162 1.00 0.00 O ATOM 1151 CB GLN A 831 1.327 2.191 -10.667 1.00 0.00 C ATOM 1152 CG GLN A 831 2.409 3.035 -11.324 1.00 0.00 C ATOM 1153 CD GLN A 831 2.258 4.510 -11.012 1.00 0.00 C ATOM 1154 OE1 GLN A 831 3.191 5.151 -10.533 1.00 0.00 O ATOM 1155 NE2 GLN A 831 1.085 5.058 -11.289 1.00 0.00 N ATOM 0 H GLN A 831 -0.014 1.491 -8.733 1.00 0.00 H new ATOM 0 HA GLN A 831 2.148 0.267 -10.160 1.00 0.00 H new ATOM 0 HB2 GLN A 831 0.781 1.655 -11.443 1.00 0.00 H new ATOM 0 HB3 GLN A 831 0.615 2.854 -10.176 1.00 0.00 H new ATOM 0 HG2 GLN A 831 3.388 2.693 -10.987 1.00 0.00 H new ATOM 0 HG3 GLN A 831 2.375 2.889 -12.404 1.00 0.00 H new ATOM 0 HE21 GLN A 831 0.337 4.489 -11.686 1.00 0.00 H new ATOM 0 HE22 GLN A 831 0.929 6.049 -11.105 1.00 0.00 H new ATOM 1164 N ALA A 832 2.847 2.640 -7.979 1.00 0.00 N ATOM 1165 CA ALA A 832 3.929 3.288 -7.246 1.00 0.00 C ATOM 1166 C ALA A 832 4.723 2.287 -6.410 1.00 0.00 C ATOM 1167 O ALA A 832 5.955 2.287 -6.437 1.00 0.00 O ATOM 1168 CB ALA A 832 3.376 4.397 -6.363 1.00 0.00 C ATOM 0 H ALA A 832 1.914 2.957 -7.715 1.00 0.00 H new ATOM 0 HA ALA A 832 4.612 3.721 -7.976 1.00 0.00 H new ATOM 0 HB1 ALA A 832 4.194 4.873 -5.821 1.00 0.00 H new ATOM 0 HB2 ALA A 832 2.872 5.138 -6.983 1.00 0.00 H new ATOM 0 HB3 ALA A 832 2.666 3.976 -5.651 1.00 0.00 H new ATOM 1174 N THR A 833 4.024 1.432 -5.674 1.00 0.00 N ATOM 1175 CA THR A 833 4.686 0.438 -4.843 1.00 0.00 C ATOM 1176 C THR A 833 5.433 -0.591 -5.690 1.00 0.00 C ATOM 1177 O THR A 833 6.465 -1.114 -5.270 1.00 0.00 O ATOM 1178 CB THR A 833 3.692 -0.281 -3.916 1.00 0.00 C ATOM 1179 OG1 THR A 833 2.782 0.668 -3.350 1.00 0.00 O ATOM 1180 CG2 THR A 833 4.427 -1.008 -2.802 1.00 0.00 C ATOM 0 H THR A 833 3.005 1.408 -5.636 1.00 0.00 H new ATOM 0 HA THR A 833 5.407 0.977 -4.228 1.00 0.00 H new ATOM 0 HB THR A 833 3.138 -1.012 -4.505 1.00 0.00 H new ATOM 0 HG1 THR A 833 2.109 0.914 -4.018 1.00 0.00 H new ATOM 0 HG21 THR A 833 3.706 -1.510 -2.157 1.00 0.00 H new ATOM 0 HG22 THR A 833 5.103 -1.746 -3.233 1.00 0.00 H new ATOM 0 HG23 THR A 833 5.000 -0.290 -2.215 1.00 0.00 H new ATOM 1188 N SER A 834 4.920 -0.874 -6.886 1.00 0.00 N ATOM 1189 CA SER A 834 5.596 -1.788 -7.800 1.00 0.00 C ATOM 1190 C SER A 834 6.988 -1.259 -8.134 1.00 0.00 C ATOM 1191 O SER A 834 7.970 -2.000 -8.109 1.00 0.00 O ATOM 1192 CB SER A 834 4.775 -1.975 -9.078 1.00 0.00 C ATOM 1193 OG SER A 834 3.555 -2.655 -8.813 1.00 0.00 O ATOM 0 H SER A 834 4.046 -0.487 -7.241 1.00 0.00 H new ATOM 0 HA SER A 834 5.696 -2.758 -7.313 1.00 0.00 H new ATOM 0 HB2 SER A 834 4.563 -1.002 -9.522 1.00 0.00 H new ATOM 0 HB3 SER A 834 5.357 -2.538 -9.807 1.00 0.00 H new ATOM 0 HG SER A 834 2.893 -2.018 -8.472 1.00 0.00 H new ATOM 1199 N ASP A 835 7.061 0.038 -8.415 1.00 0.00 N ATOM 1200 CA ASP A 835 8.332 0.697 -8.699 1.00 0.00 C ATOM 1201 C ASP A 835 9.224 0.681 -7.462 1.00 0.00 C ATOM 1202 O ASP A 835 10.405 0.341 -7.537 1.00 0.00 O ATOM 1203 CB ASP A 835 8.085 2.141 -9.148 1.00 0.00 C ATOM 1204 CG ASP A 835 9.325 2.807 -9.717 1.00 0.00 C ATOM 1205 OD1 ASP A 835 10.202 2.097 -10.253 1.00 0.00 O ATOM 1206 OD2 ASP A 835 9.416 4.055 -9.649 1.00 0.00 O ATOM 0 H ASP A 835 6.251 0.657 -8.452 1.00 0.00 H new ATOM 0 HA ASP A 835 8.835 0.156 -9.501 1.00 0.00 H new ATOM 0 HB2 ASP A 835 7.296 2.152 -9.900 1.00 0.00 H new ATOM 0 HB3 ASP A 835 7.724 2.723 -8.300 1.00 0.00 H new ATOM 1211 N LEU A 836 8.634 1.033 -6.324 1.00 0.00 N ATOM 1212 CA LEU A 836 9.349 1.075 -5.050 1.00 0.00 C ATOM 1213 C LEU A 836 9.985 -0.275 -4.725 1.00 0.00 C ATOM 1214 O LEU A 836 11.186 -0.359 -4.463 1.00 0.00 O ATOM 1215 CB LEU A 836 8.385 1.490 -3.928 1.00 0.00 C ATOM 1216 CG LEU A 836 8.909 1.318 -2.496 1.00 0.00 C ATOM 1217 CD1 LEU A 836 10.024 2.310 -2.211 1.00 0.00 C ATOM 1218 CD2 LEU A 836 7.781 1.494 -1.495 1.00 0.00 C ATOM 0 H LEU A 836 7.651 1.296 -6.257 1.00 0.00 H new ATOM 0 HA LEU A 836 10.150 1.810 -5.132 1.00 0.00 H new ATOM 0 HB2 LEU A 836 8.118 2.537 -4.073 1.00 0.00 H new ATOM 0 HB3 LEU A 836 7.468 0.910 -4.031 1.00 0.00 H new ATOM 0 HG LEU A 836 9.310 0.309 -2.397 1.00 0.00 H new ATOM 0 HD11 LEU A 836 10.382 2.172 -1.191 1.00 0.00 H new ATOM 0 HD12 LEU A 836 10.845 2.145 -2.909 1.00 0.00 H new ATOM 0 HD13 LEU A 836 9.646 3.326 -2.329 1.00 0.00 H new ATOM 0 HD21 LEU A 836 8.169 1.369 -0.484 1.00 0.00 H new ATOM 0 HD22 LEU A 836 7.354 2.492 -1.599 1.00 0.00 H new ATOM 0 HD23 LEU A 836 7.009 0.748 -1.682 1.00 0.00 H new ATOM 1230 N VAL A 837 9.183 -1.331 -4.775 1.00 0.00 N ATOM 1231 CA VAL A 837 9.645 -2.662 -4.400 1.00 0.00 C ATOM 1232 C VAL A 837 10.682 -3.185 -5.391 1.00 0.00 C ATOM 1233 O VAL A 837 11.683 -3.782 -4.994 1.00 0.00 O ATOM 1234 CB VAL A 837 8.463 -3.652 -4.295 1.00 0.00 C ATOM 1235 CG1 VAL A 837 8.954 -5.079 -4.083 1.00 0.00 C ATOM 1236 CG2 VAL A 837 7.530 -3.237 -3.166 1.00 0.00 C ATOM 0 H VAL A 837 8.208 -1.292 -5.072 1.00 0.00 H new ATOM 0 HA VAL A 837 10.115 -2.580 -3.420 1.00 0.00 H new ATOM 0 HB VAL A 837 7.914 -3.625 -5.236 1.00 0.00 H new ATOM 0 HG11 VAL A 837 8.099 -5.751 -4.013 1.00 0.00 H new ATOM 0 HG12 VAL A 837 9.582 -5.376 -4.923 1.00 0.00 H new ATOM 0 HG13 VAL A 837 9.533 -5.131 -3.161 1.00 0.00 H new ATOM 0 HG21 VAL A 837 6.701 -3.942 -3.101 1.00 0.00 H new ATOM 0 HG22 VAL A 837 8.078 -3.234 -2.224 1.00 0.00 H new ATOM 0 HG23 VAL A 837 7.142 -2.238 -3.363 1.00 0.00 H new ATOM 1246 N ASN A 838 10.453 -2.939 -6.676 1.00 0.00 N ATOM 1247 CA ASN A 838 11.380 -3.380 -7.716 1.00 0.00 C ATOM 1248 C ASN A 838 12.736 -2.698 -7.556 1.00 0.00 C ATOM 1249 O ASN A 838 13.785 -3.318 -7.753 1.00 0.00 O ATOM 1250 CB ASN A 838 10.807 -3.087 -9.104 1.00 0.00 C ATOM 1251 CG ASN A 838 11.675 -3.632 -10.223 1.00 0.00 C ATOM 1252 OD1 ASN A 838 11.989 -4.825 -10.264 1.00 0.00 O ATOM 1253 ND2 ASN A 838 12.062 -2.766 -11.146 1.00 0.00 N ATOM 0 H ASN A 838 9.636 -2.438 -7.024 1.00 0.00 H new ATOM 0 HA ASN A 838 11.518 -4.456 -7.612 1.00 0.00 H new ATOM 0 HB2 ASN A 838 9.810 -3.520 -9.180 1.00 0.00 H new ATOM 0 HB3 ASN A 838 10.697 -2.010 -9.227 1.00 0.00 H new ATOM 0 HD21 ASN A 838 12.641 -3.077 -11.926 1.00 0.00 H new ATOM 0 HD22 ASN A 838 11.782 -1.788 -11.077 1.00 0.00 H new ATOM 1260 N ALA A 839 12.707 -1.422 -7.189 1.00 0.00 N ATOM 1261 CA ALA A 839 13.926 -0.661 -6.956 1.00 0.00 C ATOM 1262 C ALA A 839 14.723 -1.257 -5.800 1.00 0.00 C ATOM 1263 O ALA A 839 15.931 -1.479 -5.916 1.00 0.00 O ATOM 1264 CB ALA A 839 13.591 0.795 -6.682 1.00 0.00 C ATOM 0 H ALA A 839 11.847 -0.892 -7.046 1.00 0.00 H new ATOM 0 HA ALA A 839 14.543 -0.713 -7.853 1.00 0.00 H new ATOM 0 HB1 ALA A 839 14.511 1.354 -6.509 1.00 0.00 H new ATOM 0 HB2 ALA A 839 13.067 1.215 -7.540 1.00 0.00 H new ATOM 0 HB3 ALA A 839 12.955 0.862 -5.800 1.00 0.00 H new ATOM 1270 N ILE A 840 14.037 -1.524 -4.692 1.00 0.00 N ATOM 1271 CA ILE A 840 14.667 -2.131 -3.524 1.00 0.00 C ATOM 1272 C ILE A 840 15.191 -3.520 -3.862 1.00 0.00 C ATOM 1273 O ILE A 840 16.314 -3.870 -3.507 1.00 0.00 O ATOM 1274 CB ILE A 840 13.684 -2.239 -2.338 1.00 0.00 C ATOM 1275 CG1 ILE A 840 13.212 -0.851 -1.917 1.00 0.00 C ATOM 1276 CG2 ILE A 840 14.330 -2.955 -1.159 1.00 0.00 C ATOM 1277 CD1 ILE A 840 11.782 -0.822 -1.440 1.00 0.00 C ATOM 0 H ILE A 840 13.042 -1.329 -4.579 1.00 0.00 H new ATOM 0 HA ILE A 840 15.495 -1.484 -3.233 1.00 0.00 H new ATOM 0 HB ILE A 840 12.823 -2.824 -2.661 1.00 0.00 H new ATOM 0 HG12 ILE A 840 13.860 -0.481 -1.122 1.00 0.00 H new ATOM 0 HG13 ILE A 840 13.320 -0.168 -2.760 1.00 0.00 H new ATOM 0 HG21 ILE A 840 13.617 -3.018 -0.337 1.00 0.00 H new ATOM 0 HG22 ILE A 840 14.625 -3.960 -1.461 1.00 0.00 H new ATOM 0 HG23 ILE A 840 15.210 -2.400 -0.834 1.00 0.00 H new ATOM 0 HD11 ILE A 840 11.513 0.196 -1.157 1.00 0.00 H new ATOM 0 HD12 ILE A 840 11.125 -1.161 -2.240 1.00 0.00 H new ATOM 0 HD13 ILE A 840 11.673 -1.479 -0.577 1.00 0.00 H new ATOM 1289 N LYS A 841 14.372 -4.294 -4.565 1.00 0.00 N ATOM 1290 CA LYS A 841 14.735 -5.648 -4.962 1.00 0.00 C ATOM 1291 C LYS A 841 16.059 -5.659 -5.716 1.00 0.00 C ATOM 1292 O LYS A 841 16.942 -6.466 -5.430 1.00 0.00 O ATOM 1293 CB LYS A 841 13.637 -6.255 -5.838 1.00 0.00 C ATOM 1294 CG LYS A 841 12.922 -7.430 -5.195 1.00 0.00 C ATOM 1295 CD LYS A 841 13.359 -8.750 -5.811 1.00 0.00 C ATOM 1296 CE LYS A 841 13.653 -9.792 -4.746 1.00 0.00 C ATOM 1297 NZ LYS A 841 14.543 -10.868 -5.253 1.00 0.00 N ATOM 0 H LYS A 841 13.444 -4.003 -4.874 1.00 0.00 H new ATOM 0 HA LYS A 841 14.846 -6.246 -4.057 1.00 0.00 H new ATOM 0 HB2 LYS A 841 12.906 -5.482 -6.076 1.00 0.00 H new ATOM 0 HB3 LYS A 841 14.076 -6.580 -6.781 1.00 0.00 H new ATOM 0 HG2 LYS A 841 13.127 -7.441 -4.124 1.00 0.00 H new ATOM 0 HG3 LYS A 841 11.845 -7.311 -5.312 1.00 0.00 H new ATOM 0 HD2 LYS A 841 12.578 -9.118 -6.476 1.00 0.00 H new ATOM 0 HD3 LYS A 841 14.248 -8.591 -6.421 1.00 0.00 H new ATOM 0 HE2 LYS A 841 14.119 -9.311 -3.886 1.00 0.00 H new ATOM 0 HE3 LYS A 841 12.717 -10.229 -4.398 1.00 0.00 H new ATOM 0 HZ1 LYS A 841 14.719 -11.559 -4.496 1.00 0.00 H new ATOM 0 HZ2 LYS A 841 14.088 -11.345 -6.057 1.00 0.00 H new ATOM 0 HZ3 LYS A 841 15.446 -10.455 -5.562 1.00 0.00 H new ATOM 1508 N LEU A 856 15.616 -6.254 3.911 1.00 0.00 N ATOM 1509 CA LEU A 856 15.189 -5.259 2.953 1.00 0.00 C ATOM 1510 C LEU A 856 14.033 -5.758 2.110 1.00 0.00 C ATOM 1511 O LEU A 856 13.006 -5.090 1.970 1.00 0.00 O ATOM 1512 CB LEU A 856 16.373 -4.915 2.057 1.00 0.00 C ATOM 1513 CG LEU A 856 17.114 -3.642 2.465 1.00 0.00 C ATOM 1514 CD1 LEU A 856 18.455 -3.534 1.753 1.00 0.00 C ATOM 1515 CD2 LEU A 856 16.263 -2.414 2.187 1.00 0.00 C ATOM 0 HA LEU A 856 14.844 -4.376 3.490 1.00 0.00 H new ATOM 0 HB2 LEU A 856 17.075 -5.749 2.064 1.00 0.00 H new ATOM 0 HB3 LEU A 856 16.019 -4.804 1.032 1.00 0.00 H new ATOM 0 HG LEU A 856 17.305 -3.696 3.537 1.00 0.00 H new ATOM 0 HD11 LEU A 856 18.959 -2.619 2.063 1.00 0.00 H new ATOM 0 HD12 LEU A 856 19.074 -4.394 2.010 1.00 0.00 H new ATOM 0 HD13 LEU A 856 18.294 -3.512 0.675 1.00 0.00 H new ATOM 0 HD21 LEU A 856 16.808 -1.518 2.484 1.00 0.00 H new ATOM 0 HD22 LEU A 856 16.035 -2.363 1.122 1.00 0.00 H new ATOM 0 HD23 LEU A 856 15.335 -2.479 2.755 1.00 0.00 H new ATOM 1527 N LEU A 857 14.205 -6.943 1.572 1.00 0.00 N ATOM 1528 CA LEU A 857 13.245 -7.510 0.655 1.00 0.00 C ATOM 1529 C LEU A 857 12.004 -8.024 1.379 1.00 0.00 C ATOM 1530 O LEU A 857 10.934 -8.109 0.781 1.00 0.00 O ATOM 1531 CB LEU A 857 13.924 -8.599 -0.160 1.00 0.00 C ATOM 1532 CG LEU A 857 15.266 -8.167 -0.758 1.00 0.00 C ATOM 1533 CD1 LEU A 857 16.240 -9.335 -0.778 1.00 0.00 C ATOM 1534 CD2 LEU A 857 15.067 -7.618 -2.158 1.00 0.00 C ATOM 0 H LEU A 857 15.012 -7.539 1.757 1.00 0.00 H new ATOM 0 HA LEU A 857 12.893 -6.731 -0.021 1.00 0.00 H new ATOM 0 HB2 LEU A 857 14.082 -9.471 0.474 1.00 0.00 H new ATOM 0 HB3 LEU A 857 13.258 -8.907 -0.966 1.00 0.00 H new ATOM 0 HG LEU A 857 15.686 -7.379 -0.133 1.00 0.00 H new ATOM 0 HD11 LEU A 857 17.188 -9.011 -1.206 1.00 0.00 H new ATOM 0 HD12 LEU A 857 16.404 -9.690 0.240 1.00 0.00 H new ATOM 0 HD13 LEU A 857 15.827 -10.143 -1.382 1.00 0.00 H new ATOM 0 HD21 LEU A 857 16.029 -7.315 -2.570 1.00 0.00 H new ATOM 0 HD22 LEU A 857 14.627 -8.388 -2.792 1.00 0.00 H new ATOM 0 HD23 LEU A 857 14.401 -6.756 -2.119 1.00 0.00 H new ATOM 1546 N SER A 858 12.133 -8.345 2.666 1.00 0.00 N ATOM 1547 CA SER A 858 10.964 -8.696 3.463 1.00 0.00 C ATOM 1548 C SER A 858 10.076 -7.468 3.630 1.00 0.00 C ATOM 1549 O SER A 858 8.860 -7.543 3.476 1.00 0.00 O ATOM 1550 CB SER A 858 11.370 -9.244 4.832 1.00 0.00 C ATOM 1551 OG SER A 858 12.773 -9.425 4.921 1.00 0.00 O ATOM 0 H SER A 858 13.020 -8.369 3.170 1.00 0.00 H new ATOM 0 HA SER A 858 10.412 -9.479 2.942 1.00 0.00 H new ATOM 0 HB2 SER A 858 11.040 -8.559 5.613 1.00 0.00 H new ATOM 0 HB3 SER A 858 10.867 -10.195 5.009 1.00 0.00 H new ATOM 0 HG SER A 858 13.002 -9.774 5.807 1.00 0.00 H new ATOM 1557 N ALA A 859 10.705 -6.331 3.915 1.00 0.00 N ATOM 1558 CA ALA A 859 9.985 -5.074 4.055 1.00 0.00 C ATOM 1559 C ALA A 859 9.312 -4.705 2.740 1.00 0.00 C ATOM 1560 O ALA A 859 8.160 -4.272 2.717 1.00 0.00 O ATOM 1561 CB ALA A 859 10.926 -3.967 4.505 1.00 0.00 C ATOM 0 H ALA A 859 11.713 -6.257 4.053 1.00 0.00 H new ATOM 0 HA ALA A 859 9.215 -5.196 4.817 1.00 0.00 H new ATOM 0 HB1 ALA A 859 10.370 -3.035 4.604 1.00 0.00 H new ATOM 0 HB2 ALA A 859 11.365 -4.232 5.467 1.00 0.00 H new ATOM 0 HB3 ALA A 859 11.718 -3.840 3.767 1.00 0.00 H new ATOM 1567 N ALA A 860 10.038 -4.901 1.644 1.00 0.00 N ATOM 1568 CA ALA A 860 9.500 -4.654 0.313 1.00 0.00 C ATOM 1569 C ALA A 860 8.326 -5.588 0.025 1.00 0.00 C ATOM 1570 O ALA A 860 7.370 -5.211 -0.654 1.00 0.00 O ATOM 1571 CB ALA A 860 10.588 -4.817 -0.737 1.00 0.00 C ATOM 0 H ALA A 860 11.003 -5.231 1.653 1.00 0.00 H new ATOM 0 HA ALA A 860 9.135 -3.628 0.273 1.00 0.00 H new ATOM 0 HB1 ALA A 860 10.170 -4.629 -1.726 1.00 0.00 H new ATOM 0 HB2 ALA A 860 11.391 -4.107 -0.542 1.00 0.00 H new ATOM 0 HB3 ALA A 860 10.983 -5.832 -0.697 1.00 0.00 H new ATOM 1577 N LYS A 861 8.402 -6.808 0.548 1.00 0.00 N ATOM 1578 CA LYS A 861 7.316 -7.767 0.412 1.00 0.00 C ATOM 1579 C LYS A 861 6.071 -7.263 1.133 1.00 0.00 C ATOM 1580 O LYS A 861 4.964 -7.345 0.601 1.00 0.00 O ATOM 1581 CB LYS A 861 7.730 -9.132 0.966 1.00 0.00 C ATOM 1582 CG LYS A 861 7.979 -10.174 -0.111 1.00 0.00 C ATOM 1583 CD LYS A 861 9.257 -10.953 0.152 1.00 0.00 C ATOM 1584 CE LYS A 861 9.592 -11.877 -1.008 1.00 0.00 C ATOM 1585 NZ LYS A 861 8.919 -13.197 -0.878 1.00 0.00 N ATOM 0 H LYS A 861 9.207 -7.154 1.070 1.00 0.00 H new ATOM 0 HA LYS A 861 7.088 -7.878 -0.648 1.00 0.00 H new ATOM 0 HB2 LYS A 861 8.635 -9.014 1.562 1.00 0.00 H new ATOM 0 HB3 LYS A 861 6.951 -9.494 1.637 1.00 0.00 H new ATOM 0 HG2 LYS A 861 7.135 -10.862 -0.155 1.00 0.00 H new ATOM 0 HG3 LYS A 861 8.043 -9.686 -1.083 1.00 0.00 H new ATOM 0 HD2 LYS A 861 10.081 -10.259 0.316 1.00 0.00 H new ATOM 0 HD3 LYS A 861 9.147 -11.538 1.065 1.00 0.00 H new ATOM 0 HE2 LYS A 861 9.292 -11.407 -1.945 1.00 0.00 H new ATOM 0 HE3 LYS A 861 10.671 -12.023 -1.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 861 9.173 -13.797 -1.688 1.00 0.00 H new ATOM 0 HZ2 LYS A 861 9.224 -13.657 0.003 1.00 0.00 H new ATOM 0 HZ3 LYS A 861 7.888 -13.061 -0.858 1.00 0.00 H new ATOM 1599 N ILE A 862 6.262 -6.727 2.339 1.00 0.00 N ATOM 1600 CA ILE A 862 5.166 -6.129 3.092 1.00 0.00 C ATOM 1601 C ILE A 862 4.548 -4.988 2.297 1.00 0.00 C ATOM 1602 O ILE A 862 3.327 -4.887 2.188 1.00 0.00 O ATOM 1603 CB ILE A 862 5.622 -5.582 4.464 1.00 0.00 C ATOM 1604 CG1 ILE A 862 6.466 -6.615 5.213 1.00 0.00 C ATOM 1605 CG2 ILE A 862 4.417 -5.179 5.302 1.00 0.00 C ATOM 1606 CD1 ILE A 862 7.316 -6.010 6.309 1.00 0.00 C ATOM 0 H ILE A 862 7.165 -6.696 2.812 1.00 0.00 H new ATOM 0 HA ILE A 862 4.436 -6.920 3.264 1.00 0.00 H new ATOM 0 HB ILE A 862 6.239 -4.701 4.288 1.00 0.00 H new ATOM 0 HG12 ILE A 862 5.807 -7.367 5.647 1.00 0.00 H new ATOM 0 HG13 ILE A 862 7.113 -7.130 4.503 1.00 0.00 H new ATOM 0 HG21 ILE A 862 4.755 -4.796 6.265 1.00 0.00 H new ATOM 0 HG22 ILE A 862 3.854 -4.405 4.781 1.00 0.00 H new ATOM 0 HG23 ILE A 862 3.778 -6.047 5.461 1.00 0.00 H new ATOM 0 HD11 ILE A 862 7.889 -6.796 6.800 1.00 0.00 H new ATOM 0 HD12 ILE A 862 7.999 -5.278 5.878 1.00 0.00 H new ATOM 0 HD13 ILE A 862 6.673 -5.519 7.039 1.00 0.00 H new ATOM 1618 N LEU A 863 5.409 -4.144 1.733 1.00 0.00 N ATOM 1619 CA LEU A 863 4.973 -3.027 0.900 1.00 0.00 C ATOM 1620 C LEU A 863 4.048 -3.514 -0.213 1.00 0.00 C ATOM 1621 O LEU A 863 2.930 -3.020 -0.369 1.00 0.00 O ATOM 1622 CB LEU A 863 6.188 -2.321 0.279 1.00 0.00 C ATOM 1623 CG LEU A 863 6.606 -0.996 0.929 1.00 0.00 C ATOM 1624 CD1 LEU A 863 5.394 -0.115 1.194 1.00 0.00 C ATOM 1625 CD2 LEU A 863 7.372 -1.256 2.217 1.00 0.00 C ATOM 0 H LEU A 863 6.421 -4.214 1.840 1.00 0.00 H new ATOM 0 HA LEU A 863 4.429 -2.325 1.532 1.00 0.00 H new ATOM 0 HB2 LEU A 863 7.037 -3.004 0.316 1.00 0.00 H new ATOM 0 HB3 LEU A 863 5.975 -2.134 -0.774 1.00 0.00 H new ATOM 0 HG LEU A 863 7.261 -0.468 0.237 1.00 0.00 H new ATOM 0 HD11 LEU A 863 5.717 0.818 1.655 1.00 0.00 H new ATOM 0 HD12 LEU A 863 4.888 0.101 0.253 1.00 0.00 H new ATOM 0 HD13 LEU A 863 4.708 -0.632 1.864 1.00 0.00 H new ATOM 0 HD21 LEU A 863 7.662 -0.306 2.666 1.00 0.00 H new ATOM 0 HD22 LEU A 863 6.739 -1.808 2.912 1.00 0.00 H new ATOM 0 HD23 LEU A 863 8.265 -1.841 1.997 1.00 0.00 H new ATOM 1637 N ALA A 864 4.518 -4.500 -0.966 1.00 0.00 N ATOM 1638 CA ALA A 864 3.775 -5.023 -2.107 1.00 0.00 C ATOM 1639 C ALA A 864 2.504 -5.747 -1.672 1.00 0.00 C ATOM 1640 O ALA A 864 1.450 -5.598 -2.296 1.00 0.00 O ATOM 1641 CB ALA A 864 4.660 -5.954 -2.920 1.00 0.00 C ATOM 0 H ALA A 864 5.416 -4.957 -0.806 1.00 0.00 H new ATOM 0 HA ALA A 864 3.475 -4.177 -2.725 1.00 0.00 H new ATOM 0 HB1 ALA A 864 4.098 -6.340 -3.770 1.00 0.00 H new ATOM 0 HB2 ALA A 864 5.531 -5.406 -3.280 1.00 0.00 H new ATOM 0 HB3 ALA A 864 4.987 -6.784 -2.294 1.00 0.00 H new ATOM 1647 N ASP A 865 2.604 -6.531 -0.605 1.00 0.00 N ATOM 1648 CA ASP A 865 1.466 -7.309 -0.120 1.00 0.00 C ATOM 1649 C ASP A 865 0.365 -6.396 0.400 1.00 0.00 C ATOM 1650 O ASP A 865 -0.804 -6.556 0.049 1.00 0.00 O ATOM 1651 CB ASP A 865 1.899 -8.274 0.983 1.00 0.00 C ATOM 1652 CG ASP A 865 1.136 -9.584 0.935 1.00 0.00 C ATOM 1653 OD1 ASP A 865 -0.038 -9.584 0.504 1.00 0.00 O ATOM 1654 OD2 ASP A 865 1.708 -10.625 1.317 1.00 0.00 O ATOM 0 H ASP A 865 3.458 -6.646 -0.059 1.00 0.00 H new ATOM 0 HA ASP A 865 1.077 -7.884 -0.960 1.00 0.00 H new ATOM 0 HB2 ASP A 865 2.966 -8.474 0.889 1.00 0.00 H new ATOM 0 HB3 ASP A 865 1.747 -7.803 1.954 1.00 0.00 H new ATOM 1659 N ALA A 866 0.748 -5.428 1.221 1.00 0.00 N ATOM 1660 CA ALA A 866 -0.207 -4.486 1.783 1.00 0.00 C ATOM 1661 C ALA A 866 -0.847 -3.646 0.685 1.00 0.00 C ATOM 1662 O ALA A 866 -2.021 -3.300 0.767 1.00 0.00 O ATOM 1663 CB ALA A 866 0.470 -3.594 2.814 1.00 0.00 C ATOM 0 H ALA A 866 1.714 -5.275 1.512 1.00 0.00 H new ATOM 0 HA ALA A 866 -0.995 -5.052 2.280 1.00 0.00 H new ATOM 0 HB1 ALA A 866 -0.259 -2.895 3.225 1.00 0.00 H new ATOM 0 HB2 ALA A 866 0.875 -4.209 3.617 1.00 0.00 H new ATOM 0 HB3 ALA A 866 1.279 -3.038 2.339 1.00 0.00 H new ATOM 1669 N THR A 867 -0.071 -3.332 -0.345 1.00 0.00 N ATOM 1670 CA THR A 867 -0.581 -2.574 -1.479 1.00 0.00 C ATOM 1671 C THR A 867 -1.657 -3.365 -2.222 1.00 0.00 C ATOM 1672 O THR A 867 -2.679 -2.809 -2.627 1.00 0.00 O ATOM 1673 CB THR A 867 0.554 -2.196 -2.448 1.00 0.00 C ATOM 1674 OG1 THR A 867 1.461 -1.299 -1.795 1.00 0.00 O ATOM 1675 CG2 THR A 867 0.015 -1.541 -3.708 1.00 0.00 C ATOM 0 H THR A 867 0.913 -3.591 -0.418 1.00 0.00 H new ATOM 0 HA THR A 867 -1.024 -1.658 -1.089 1.00 0.00 H new ATOM 0 HB THR A 867 1.072 -3.111 -2.736 1.00 0.00 H new ATOM 0 HG1 THR A 867 1.905 -1.764 -1.055 1.00 0.00 H new ATOM 0 HG21 THR A 867 0.844 -1.287 -4.369 1.00 0.00 H new ATOM 0 HG22 THR A 867 -0.658 -2.231 -4.217 1.00 0.00 H new ATOM 0 HG23 THR A 867 -0.528 -0.634 -3.443 1.00 0.00 H new ATOM 1683 N ALA A 868 -1.432 -4.664 -2.384 1.00 0.00 N ATOM 1684 CA ALA A 868 -2.419 -5.526 -3.019 1.00 0.00 C ATOM 1685 C ALA A 868 -3.679 -5.585 -2.174 1.00 0.00 C ATOM 1686 O ALA A 868 -4.787 -5.514 -2.692 1.00 0.00 O ATOM 1687 CB ALA A 868 -1.864 -6.924 -3.232 1.00 0.00 C ATOM 0 H ALA A 868 -0.580 -5.140 -2.086 1.00 0.00 H new ATOM 0 HA ALA A 868 -2.663 -5.106 -3.995 1.00 0.00 H new ATOM 0 HB1 ALA A 868 -2.621 -7.547 -3.708 1.00 0.00 H new ATOM 0 HB2 ALA A 868 -0.983 -6.872 -3.871 1.00 0.00 H new ATOM 0 HB3 ALA A 868 -1.589 -7.357 -2.270 1.00 0.00 H new ATOM 1693 N LYS A 869 -3.495 -5.704 -0.864 1.00 0.00 N ATOM 1694 CA LYS A 869 -4.610 -5.686 0.070 1.00 0.00 C ATOM 1695 C LYS A 869 -5.348 -4.356 -0.015 1.00 0.00 C ATOM 1696 O LYS A 869 -6.577 -4.315 0.007 1.00 0.00 O ATOM 1697 CB LYS A 869 -4.110 -5.923 1.498 1.00 0.00 C ATOM 1698 CG LYS A 869 -5.136 -6.583 2.406 1.00 0.00 C ATOM 1699 CD LYS A 869 -5.441 -8.005 1.965 1.00 0.00 C ATOM 1700 CE LYS A 869 -4.553 -9.017 2.668 1.00 0.00 C ATOM 1701 NZ LYS A 869 -4.053 -10.055 1.728 1.00 0.00 N ATOM 0 H LYS A 869 -2.581 -5.814 -0.426 1.00 0.00 H new ATOM 0 HA LYS A 869 -5.300 -6.487 -0.196 1.00 0.00 H new ATOM 0 HB2 LYS A 869 -3.217 -6.546 1.461 1.00 0.00 H new ATOM 0 HB3 LYS A 869 -3.815 -4.968 1.933 1.00 0.00 H new ATOM 0 HG2 LYS A 869 -4.764 -6.591 3.431 1.00 0.00 H new ATOM 0 HG3 LYS A 869 -6.055 -5.996 2.405 1.00 0.00 H new ATOM 0 HD2 LYS A 869 -6.487 -8.233 2.172 1.00 0.00 H new ATOM 0 HD3 LYS A 869 -5.304 -8.088 0.887 1.00 0.00 H new ATOM 0 HE2 LYS A 869 -3.708 -8.503 3.126 1.00 0.00 H new ATOM 0 HE3 LYS A 869 -5.111 -9.494 3.474 1.00 0.00 H new ATOM 0 HZ1 LYS A 869 -3.450 -10.728 2.243 1.00 0.00 H new ATOM 0 HZ2 LYS A 869 -4.859 -10.562 1.309 1.00 0.00 H new ATOM 0 HZ3 LYS A 869 -3.499 -9.602 0.973 1.00 0.00 H new ATOM 1715 N MET A 870 -4.586 -3.276 -0.125 1.00 0.00 N ATOM 1716 CA MET A 870 -5.147 -1.938 -0.252 1.00 0.00 C ATOM 1717 C MET A 870 -5.993 -1.827 -1.512 1.00 0.00 C ATOM 1718 O MET A 870 -7.144 -1.392 -1.460 1.00 0.00 O ATOM 1719 CB MET A 870 -4.030 -0.891 -0.275 1.00 0.00 C ATOM 1720 CG MET A 870 -4.096 0.087 0.886 1.00 0.00 C ATOM 1721 SD MET A 870 -4.469 1.775 0.376 1.00 0.00 S ATOM 1722 CE MET A 870 -6.219 1.648 0.036 1.00 0.00 C ATOM 0 H MET A 870 -3.566 -3.302 -0.129 1.00 0.00 H new ATOM 0 HA MET A 870 -5.786 -1.753 0.612 1.00 0.00 H new ATOM 0 HB2 MET A 870 -3.066 -1.399 -0.258 1.00 0.00 H new ATOM 0 HB3 MET A 870 -4.082 -0.336 -1.212 1.00 0.00 H new ATOM 0 HG2 MET A 870 -4.856 -0.248 1.592 1.00 0.00 H new ATOM 0 HG3 MET A 870 -3.143 0.077 1.415 1.00 0.00 H new ATOM 0 HE1 MET A 870 -6.428 2.054 -0.954 1.00 0.00 H new ATOM 0 HE2 MET A 870 -6.521 0.601 0.070 1.00 0.00 H new ATOM 0 HE3 MET A 870 -6.777 2.211 0.784 1.00 0.00 H new ATOM 1732 N VAL A 871 -5.422 -2.237 -2.637 1.00 0.00 N ATOM 1733 CA VAL A 871 -6.129 -2.195 -3.908 1.00 0.00 C ATOM 1734 C VAL A 871 -7.335 -3.139 -3.888 1.00 0.00 C ATOM 1735 O VAL A 871 -8.402 -2.801 -4.395 1.00 0.00 O ATOM 1736 CB VAL A 871 -5.177 -2.517 -5.096 1.00 0.00 C ATOM 1737 CG1 VAL A 871 -5.387 -3.920 -5.653 1.00 0.00 C ATOM 1738 CG2 VAL A 871 -5.341 -1.482 -6.196 1.00 0.00 C ATOM 0 H VAL A 871 -4.471 -2.602 -2.694 1.00 0.00 H new ATOM 0 HA VAL A 871 -6.499 -1.180 -4.055 1.00 0.00 H new ATOM 0 HB VAL A 871 -4.159 -2.479 -4.709 1.00 0.00 H new ATOM 0 HG11 VAL A 871 -4.697 -4.090 -6.479 1.00 0.00 H new ATOM 0 HG12 VAL A 871 -5.203 -4.654 -4.869 1.00 0.00 H new ATOM 0 HG13 VAL A 871 -6.412 -4.020 -6.010 1.00 0.00 H new ATOM 0 HG21 VAL A 871 -4.669 -1.719 -7.021 1.00 0.00 H new ATOM 0 HG22 VAL A 871 -6.371 -1.490 -6.553 1.00 0.00 H new ATOM 0 HG23 VAL A 871 -5.100 -0.494 -5.804 1.00 0.00 H new ATOM 1748 N GLU A 872 -7.166 -4.300 -3.261 1.00 0.00 N ATOM 1749 CA GLU A 872 -8.226 -5.294 -3.170 1.00 0.00 C ATOM 1750 C GLU A 872 -9.393 -4.764 -2.341 1.00 0.00 C ATOM 1751 O GLU A 872 -10.555 -4.876 -2.738 1.00 0.00 O ATOM 1752 CB GLU A 872 -7.679 -6.582 -2.545 1.00 0.00 C ATOM 1753 CG GLU A 872 -8.372 -7.842 -3.032 1.00 0.00 C ATOM 1754 CD GLU A 872 -9.140 -8.541 -1.932 1.00 0.00 C ATOM 1755 OE1 GLU A 872 -8.559 -8.772 -0.849 1.00 0.00 O ATOM 1756 OE2 GLU A 872 -10.332 -8.862 -2.140 1.00 0.00 O ATOM 0 H GLU A 872 -6.296 -4.575 -2.805 1.00 0.00 H new ATOM 0 HA GLU A 872 -8.589 -5.508 -4.175 1.00 0.00 H new ATOM 0 HB2 GLU A 872 -6.614 -6.657 -2.764 1.00 0.00 H new ATOM 0 HB3 GLU A 872 -7.778 -6.520 -1.461 1.00 0.00 H new ATOM 0 HG2 GLU A 872 -9.055 -7.587 -3.843 1.00 0.00 H new ATOM 0 HG3 GLU A 872 -7.629 -8.526 -3.444 1.00 0.00 H new ATOM 1763 N ALA A 873 -9.075 -4.180 -1.195 1.00 0.00 N ATOM 1764 CA ALA A 873 -10.089 -3.649 -0.296 1.00 0.00 C ATOM 1765 C ALA A 873 -10.780 -2.433 -0.899 1.00 0.00 C ATOM 1766 O ALA A 873 -11.994 -2.280 -0.776 1.00 0.00 O ATOM 1767 CB ALA A 873 -9.469 -3.296 1.046 1.00 0.00 C ATOM 0 H ALA A 873 -8.117 -4.062 -0.864 1.00 0.00 H new ATOM 0 HA ALA A 873 -10.844 -4.421 -0.145 1.00 0.00 H new ATOM 0 HB1 ALA A 873 -10.238 -2.900 1.709 1.00 0.00 H new ATOM 0 HB2 ALA A 873 -9.031 -4.190 1.491 1.00 0.00 H new ATOM 0 HB3 ALA A 873 -8.692 -2.545 0.902 1.00 0.00 H new ATOM 1773 N ALA A 874 -10.003 -1.576 -1.556 1.00 0.00 N ATOM 1774 CA ALA A 874 -10.545 -0.371 -2.173 1.00 0.00 C ATOM 1775 C ALA A 874 -11.446 -0.715 -3.353 1.00 0.00 C ATOM 1776 O ALA A 874 -12.522 -0.141 -3.508 1.00 0.00 O ATOM 1777 CB ALA A 874 -9.422 0.554 -2.620 1.00 0.00 C ATOM 0 H ALA A 874 -8.997 -1.694 -1.674 1.00 0.00 H new ATOM 0 HA ALA A 874 -11.147 0.145 -1.425 1.00 0.00 H new ATOM 0 HB1 ALA A 874 -9.847 1.447 -3.078 1.00 0.00 H new ATOM 0 HB2 ALA A 874 -8.821 0.840 -1.757 1.00 0.00 H new ATOM 0 HB3 ALA A 874 -8.793 0.038 -3.346 1.00 0.00 H new ATOM 1783 N LYS A 875 -11.007 -1.661 -4.175 1.00 0.00 N ATOM 1784 CA LYS A 875 -11.780 -2.081 -5.335 1.00 0.00 C ATOM 1785 C LYS A 875 -13.043 -2.820 -4.901 1.00 0.00 C ATOM 1786 O LYS A 875 -14.097 -2.687 -5.525 1.00 0.00 O ATOM 1787 CB LYS A 875 -10.937 -2.976 -6.245 1.00 0.00 C ATOM 1788 CG LYS A 875 -10.177 -2.215 -7.321 1.00 0.00 C ATOM 1789 CD LYS A 875 -8.840 -2.874 -7.628 1.00 0.00 C ATOM 1790 CE LYS A 875 -8.747 -3.305 -9.084 1.00 0.00 C ATOM 1791 NZ LYS A 875 -8.657 -4.783 -9.220 1.00 0.00 N ATOM 0 H LYS A 875 -10.120 -2.151 -4.059 1.00 0.00 H new ATOM 0 HA LYS A 875 -12.071 -1.189 -5.890 1.00 0.00 H new ATOM 0 HB2 LYS A 875 -10.225 -3.531 -5.634 1.00 0.00 H new ATOM 0 HB3 LYS A 875 -11.588 -3.709 -6.722 1.00 0.00 H new ATOM 0 HG2 LYS A 875 -10.778 -2.168 -8.229 1.00 0.00 H new ATOM 0 HG3 LYS A 875 -10.012 -1.188 -6.995 1.00 0.00 H new ATOM 0 HD2 LYS A 875 -8.031 -2.179 -7.402 1.00 0.00 H new ATOM 0 HD3 LYS A 875 -8.705 -3.742 -6.982 1.00 0.00 H new ATOM 0 HE2 LYS A 875 -9.621 -2.943 -9.626 1.00 0.00 H new ATOM 0 HE3 LYS A 875 -7.873 -2.844 -9.544 1.00 0.00 H new ATOM 0 HZ1 LYS A 875 -8.595 -5.036 -10.227 1.00 0.00 H new ATOM 0 HZ2 LYS A 875 -7.810 -5.126 -8.724 1.00 0.00 H new ATOM 0 HZ3 LYS A 875 -9.503 -5.222 -8.804 1.00 0.00 H new ATOM 1805 N GLY A 876 -12.932 -3.586 -3.821 1.00 0.00 N ATOM 1806 CA GLY A 876 -14.080 -4.296 -3.286 1.00 0.00 C ATOM 1807 C GLY A 876 -15.059 -3.364 -2.597 1.00 0.00 C ATOM 1808 O GLY A 876 -16.216 -3.719 -2.360 1.00 0.00 O ATOM 0 H GLY A 876 -12.064 -3.728 -3.305 1.00 0.00 H new ATOM 0 HA2 GLY A 876 -14.589 -4.822 -4.094 1.00 0.00 H new ATOM 0 HA3 GLY A 876 -13.740 -5.052 -2.578 1.00 0.00 H new