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 78:sc= 0.837 USER MOD Set 1.2: A 867 THR OG1 : rot 55:sc= 0.673 USER MOD Set 2.1: A 811 ASN : amide:sc= 0.266 K(o=1.7,f=-0.096!) USER MOD Set 2.2: A 825 GLN : amide:sc= 1.39 K(o=1.7,f=-3.3!) USER MOD Single : A 772 THR OG1 : rot 79:sc= 0.654 USER MOD Single : A 775 THR OG1 : rot 79:sc= 1.06 USER MOD Single : A 776 GLN : amide:sc= -0.427 X(o=-0.43,f=-0.54) USER MOD Single : A 779 ASN : amide:sc= -0.112 K(o=-0.11,f=-1.6!) USER MOD Single : A 802 THR OG1 : rot -160:sc= 0.0626 USER MOD Single : A 804 THR OG1 : rot 180:sc= 0 USER MOD Single : A 807 THR OG1 : rot 77:sc= 0.487 USER MOD Single : A 809 THR OG1 : rot 78:sc= 1.02 USER MOD Single : A 814 SER OG : rot 180:sc= 0.121 USER MOD Single : A 815 SER OG : rot 79:sc= 1.24 USER MOD Single : A 816 MET CE :methyl 152:sc= -0.196 (180deg=-1.05) USER MOD Single : A 822 MET CE :methyl 166:sc= -0.136 (180deg=-0.826) USER MOD Single : A 831 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 834 SER OG : rot 94: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+ 180:sc= 0 (180deg=0) USER MOD Single : A 870 MET CE :methyl 154:sc= -4.29! (180deg=-5.53!) USER MOD Single : A 875 LYS NZ :NH3+ -166:sc= 1.18 (180deg=1.11) USER MOD ----------------------------------------------------------------- ATOM 220 N GLY A 766 -12.465 -2.688 5.955 1.00 0.00 N ATOM 221 CA GLY A 766 -11.604 -3.260 4.938 1.00 0.00 C ATOM 222 C GLY A 766 -10.556 -2.287 4.450 1.00 0.00 C ATOM 223 O GLY A 766 -9.359 -2.576 4.507 1.00 0.00 O ATOM 0 HA2 GLY A 766 -11.113 -4.146 5.340 1.00 0.00 H new ATOM 0 HA3 GLY A 766 -12.212 -3.587 4.094 1.00 0.00 H new ATOM 227 N VAL A 767 -11.003 -1.131 3.980 1.00 0.00 N ATOM 228 CA VAL A 767 -10.095 -0.119 3.458 1.00 0.00 C ATOM 229 C VAL A 767 -9.231 0.452 4.571 1.00 0.00 C ATOM 230 O VAL A 767 -8.044 0.695 4.381 1.00 0.00 O ATOM 231 CB VAL A 767 -10.849 1.037 2.767 1.00 0.00 C ATOM 232 CG1 VAL A 767 -9.926 1.789 1.821 1.00 0.00 C ATOM 233 CG2 VAL A 767 -12.071 0.519 2.025 1.00 0.00 C ATOM 0 H VAL A 767 -11.989 -0.870 3.949 1.00 0.00 H new ATOM 0 HA VAL A 767 -9.468 -0.615 2.717 1.00 0.00 H new ATOM 0 HB VAL A 767 -11.188 1.729 3.538 1.00 0.00 H new ATOM 0 HG11 VAL A 767 -10.476 2.600 1.344 1.00 0.00 H new ATOM 0 HG12 VAL A 767 -9.087 2.201 2.382 1.00 0.00 H new ATOM 0 HG13 VAL A 767 -9.552 1.106 1.058 1.00 0.00 H new ATOM 0 HG21 VAL A 767 -12.586 1.352 1.546 1.00 0.00 H new ATOM 0 HG22 VAL A 767 -11.759 -0.199 1.267 1.00 0.00 H new ATOM 0 HG23 VAL A 767 -12.745 0.032 2.730 1.00 0.00 H new ATOM 243 N GLY A 768 -9.835 0.649 5.739 1.00 0.00 N ATOM 244 CA GLY A 768 -9.111 1.200 6.868 1.00 0.00 C ATOM 245 C GLY A 768 -7.936 0.336 7.281 1.00 0.00 C ATOM 246 O GLY A 768 -6.805 0.815 7.359 1.00 0.00 O ATOM 0 H GLY A 768 -10.815 0.436 5.923 1.00 0.00 H new ATOM 0 HA2 GLY A 768 -8.753 2.198 6.614 1.00 0.00 H new ATOM 0 HA3 GLY A 768 -9.791 1.311 7.713 1.00 0.00 H new ATOM 250 N ALA A 769 -8.202 -0.942 7.523 1.00 0.00 N ATOM 251 CA ALA A 769 -7.162 -1.877 7.939 1.00 0.00 C ATOM 252 C ALA A 769 -6.078 -1.998 6.874 1.00 0.00 C ATOM 253 O ALA A 769 -4.885 -1.998 7.184 1.00 0.00 O ATOM 254 CB ALA A 769 -7.766 -3.240 8.237 1.00 0.00 C ATOM 0 H ALA A 769 -9.130 -1.356 7.438 1.00 0.00 H new ATOM 0 HA ALA A 769 -6.702 -1.490 8.848 1.00 0.00 H new ATOM 0 HB1 ALA A 769 -6.978 -3.927 8.546 1.00 0.00 H new ATOM 0 HB2 ALA A 769 -8.500 -3.146 9.037 1.00 0.00 H new ATOM 0 HB3 ALA A 769 -8.253 -3.626 7.341 1.00 0.00 H new ATOM 260 N ALA A 770 -6.501 -2.077 5.619 1.00 0.00 N ATOM 261 CA ALA A 770 -5.578 -2.232 4.507 1.00 0.00 C ATOM 262 C ALA A 770 -4.698 -0.996 4.341 1.00 0.00 C ATOM 263 O ALA A 770 -3.482 -1.103 4.168 1.00 0.00 O ATOM 264 CB ALA A 770 -6.348 -2.512 3.227 1.00 0.00 C ATOM 0 H ALA A 770 -7.483 -2.036 5.347 1.00 0.00 H new ATOM 0 HA ALA A 770 -4.925 -3.078 4.722 1.00 0.00 H new ATOM 0 HB1 ALA A 770 -5.648 -2.627 2.399 1.00 0.00 H new ATOM 0 HB2 ALA A 770 -6.926 -3.429 3.343 1.00 0.00 H new ATOM 0 HB3 ALA A 770 -7.023 -1.682 3.019 1.00 0.00 H new ATOM 270 N ALA A 771 -5.321 0.178 4.407 1.00 0.00 N ATOM 271 CA ALA A 771 -4.610 1.438 4.238 1.00 0.00 C ATOM 272 C ALA A 771 -3.588 1.644 5.353 1.00 0.00 C ATOM 273 O ALA A 771 -2.442 2.027 5.102 1.00 0.00 O ATOM 274 CB ALA A 771 -5.595 2.597 4.193 1.00 0.00 C ATOM 0 H ALA A 771 -6.321 0.281 4.577 1.00 0.00 H new ATOM 0 HA ALA A 771 -4.070 1.401 3.292 1.00 0.00 H new ATOM 0 HB1 ALA A 771 -5.050 3.533 4.066 1.00 0.00 H new ATOM 0 HB2 ALA A 771 -6.280 2.460 3.356 1.00 0.00 H new ATOM 0 HB3 ALA A 771 -6.161 2.630 5.124 1.00 0.00 H new ATOM 280 N THR A 772 -4.005 1.377 6.585 1.00 0.00 N ATOM 281 CA THR A 772 -3.118 1.481 7.733 1.00 0.00 C ATOM 282 C THR A 772 -1.942 0.506 7.609 1.00 0.00 C ATOM 283 O THR A 772 -0.810 0.838 7.965 1.00 0.00 O ATOM 284 CB THR A 772 -3.890 1.221 9.046 1.00 0.00 C ATOM 285 OG1 THR A 772 -4.972 2.153 9.163 1.00 0.00 O ATOM 286 CG2 THR A 772 -2.981 1.349 10.260 1.00 0.00 C ATOM 0 H THR A 772 -4.956 1.086 6.813 1.00 0.00 H new ATOM 0 HA THR A 772 -2.721 2.496 7.757 1.00 0.00 H new ATOM 0 HB THR A 772 -4.276 0.202 9.013 1.00 0.00 H new ATOM 0 HG1 THR A 772 -5.718 1.860 8.599 1.00 0.00 H new ATOM 0 HG21 THR A 772 -3.556 1.160 11.167 1.00 0.00 H new ATOM 0 HG22 THR A 772 -2.171 0.623 10.186 1.00 0.00 H new ATOM 0 HG23 THR A 772 -2.564 2.355 10.298 1.00 0.00 H new ATOM 294 N ALA A 773 -2.211 -0.683 7.076 1.00 0.00 N ATOM 295 CA ALA A 773 -1.177 -1.697 6.892 1.00 0.00 C ATOM 296 C ALA A 773 -0.072 -1.205 5.959 1.00 0.00 C ATOM 297 O ALA A 773 1.115 -1.385 6.240 1.00 0.00 O ATOM 298 CB ALA A 773 -1.784 -2.984 6.354 1.00 0.00 C ATOM 0 H ALA A 773 -3.139 -0.968 6.763 1.00 0.00 H new ATOM 0 HA ALA A 773 -0.731 -1.895 7.866 1.00 0.00 H new ATOM 0 HB1 ALA A 773 -0.999 -3.729 6.223 1.00 0.00 H new ATOM 0 HB2 ALA A 773 -2.526 -3.359 7.059 1.00 0.00 H new ATOM 0 HB3 ALA A 773 -2.262 -2.787 5.394 1.00 0.00 H new ATOM 304 N VAL A 774 -0.468 -0.582 4.852 1.00 0.00 N ATOM 305 CA VAL A 774 0.492 -0.033 3.897 1.00 0.00 C ATOM 306 C VAL A 774 1.284 1.102 4.531 1.00 0.00 C ATOM 307 O VAL A 774 2.505 1.174 4.396 1.00 0.00 O ATOM 308 CB VAL A 774 -0.207 0.487 2.624 1.00 0.00 C ATOM 309 CG1 VAL A 774 0.807 1.034 1.630 1.00 0.00 C ATOM 310 CG2 VAL A 774 -1.033 -0.612 1.988 1.00 0.00 C ATOM 0 H VAL A 774 -1.445 -0.445 4.594 1.00 0.00 H new ATOM 0 HA VAL A 774 1.167 -0.842 3.617 1.00 0.00 H new ATOM 0 HB VAL A 774 -0.872 1.301 2.911 1.00 0.00 H new ATOM 0 HG11 VAL A 774 0.288 1.394 0.742 1.00 0.00 H new ATOM 0 HG12 VAL A 774 1.357 1.856 2.087 1.00 0.00 H new ATOM 0 HG13 VAL A 774 1.503 0.244 1.348 1.00 0.00 H new ATOM 0 HG21 VAL A 774 -1.520 -0.229 1.091 1.00 0.00 H new ATOM 0 HG22 VAL A 774 -0.384 -1.446 1.721 1.00 0.00 H new ATOM 0 HG23 VAL A 774 -1.790 -0.953 2.694 1.00 0.00 H new ATOM 320 N THR A 775 0.577 1.978 5.229 1.00 0.00 N ATOM 321 CA THR A 775 1.201 3.094 5.921 1.00 0.00 C ATOM 322 C THR A 775 2.259 2.602 6.913 1.00 0.00 C ATOM 323 O THR A 775 3.354 3.164 7.002 1.00 0.00 O ATOM 324 CB THR A 775 0.138 3.935 6.653 1.00 0.00 C ATOM 325 OG1 THR A 775 -0.941 4.236 5.754 1.00 0.00 O ATOM 326 CG2 THR A 775 0.730 5.229 7.188 1.00 0.00 C ATOM 0 H THR A 775 -0.437 1.936 5.331 1.00 0.00 H new ATOM 0 HA THR A 775 1.694 3.719 5.176 1.00 0.00 H new ATOM 0 HB THR A 775 -0.232 3.354 7.498 1.00 0.00 H new ATOM 0 HG1 THR A 775 -1.532 3.458 5.680 1.00 0.00 H new ATOM 0 HG21 THR A 775 -0.045 5.800 7.699 1.00 0.00 H new ATOM 0 HG22 THR A 775 1.533 4.999 7.888 1.00 0.00 H new ATOM 0 HG23 THR A 775 1.127 5.817 6.361 1.00 0.00 H new ATOM 334 N GLN A 776 1.934 1.535 7.636 1.00 0.00 N ATOM 335 CA GLN A 776 2.862 0.936 8.584 1.00 0.00 C ATOM 336 C GLN A 776 4.084 0.371 7.863 1.00 0.00 C ATOM 337 O GLN A 776 5.221 0.591 8.282 1.00 0.00 O ATOM 338 CB GLN A 776 2.165 -0.170 9.375 1.00 0.00 C ATOM 339 CG GLN A 776 1.446 0.328 10.619 1.00 0.00 C ATOM 340 CD GLN A 776 0.440 -0.675 11.151 1.00 0.00 C ATOM 341 OE1 GLN A 776 0.540 -1.875 10.891 1.00 0.00 O ATOM 342 NE2 GLN A 776 -0.538 -0.195 11.902 1.00 0.00 N ATOM 0 H GLN A 776 1.030 1.067 7.581 1.00 0.00 H new ATOM 0 HA GLN A 776 3.196 1.712 9.273 1.00 0.00 H new ATOM 0 HB2 GLN A 776 1.446 -0.670 8.726 1.00 0.00 H new ATOM 0 HB3 GLN A 776 2.904 -0.916 9.667 1.00 0.00 H new ATOM 0 HG2 GLN A 776 2.179 0.548 11.395 1.00 0.00 H new ATOM 0 HG3 GLN A 776 0.935 1.263 10.389 1.00 0.00 H new ATOM 0 HE21 GLN A 776 -0.588 0.805 12.096 1.00 0.00 H new ATOM 0 HE22 GLN A 776 -1.242 -0.825 12.287 1.00 0.00 H new ATOM 351 N ALA A 777 3.837 -0.343 6.767 1.00 0.00 N ATOM 352 CA ALA A 777 4.909 -0.943 5.978 1.00 0.00 C ATOM 353 C ALA A 777 5.848 0.126 5.423 1.00 0.00 C ATOM 354 O ALA A 777 7.071 -0.036 5.439 1.00 0.00 O ATOM 355 CB ALA A 777 4.327 -1.782 4.848 1.00 0.00 C ATOM 0 H ALA A 777 2.900 -0.520 6.405 1.00 0.00 H new ATOM 0 HA ALA A 777 5.490 -1.592 6.633 1.00 0.00 H new ATOM 0 HB1 ALA A 777 5.137 -2.223 4.268 1.00 0.00 H new ATOM 0 HB2 ALA A 777 3.706 -2.575 5.266 1.00 0.00 H new ATOM 0 HB3 ALA A 777 3.720 -1.149 4.200 1.00 0.00 H new ATOM 361 N LEU A 778 5.267 1.219 4.943 1.00 0.00 N ATOM 362 CA LEU A 778 6.042 2.327 4.398 1.00 0.00 C ATOM 363 C LEU A 778 6.944 2.936 5.460 1.00 0.00 C ATOM 364 O LEU A 778 8.122 3.194 5.212 1.00 0.00 O ATOM 365 CB LEU A 778 5.115 3.402 3.838 1.00 0.00 C ATOM 366 CG LEU A 778 5.774 4.356 2.847 1.00 0.00 C ATOM 367 CD1 LEU A 778 5.235 4.116 1.451 1.00 0.00 C ATOM 368 CD2 LEU A 778 5.564 5.804 3.268 1.00 0.00 C ATOM 0 H LEU A 778 4.257 1.362 4.920 1.00 0.00 H new ATOM 0 HA LEU A 778 6.664 1.934 3.594 1.00 0.00 H new ATOM 0 HB2 LEU A 778 4.271 2.916 3.348 1.00 0.00 H new ATOM 0 HB3 LEU A 778 4.711 3.983 4.667 1.00 0.00 H new ATOM 0 HG LEU A 778 6.847 4.162 2.841 1.00 0.00 H new ATOM 0 HD11 LEU A 778 5.713 4.803 0.753 1.00 0.00 H new ATOM 0 HD12 LEU A 778 5.446 3.089 1.151 1.00 0.00 H new ATOM 0 HD13 LEU A 778 4.158 4.282 1.443 1.00 0.00 H new ATOM 0 HD21 LEU A 778 6.043 6.466 2.546 1.00 0.00 H new ATOM 0 HD22 LEU A 778 4.496 6.021 3.306 1.00 0.00 H new ATOM 0 HD23 LEU A 778 6.002 5.964 4.253 1.00 0.00 H new ATOM 380 N ASN A 779 6.382 3.158 6.642 1.00 0.00 N ATOM 381 CA ASN A 779 7.126 3.739 7.755 1.00 0.00 C ATOM 382 C ASN A 779 8.331 2.877 8.101 1.00 0.00 C ATOM 383 O ASN A 779 9.405 3.389 8.422 1.00 0.00 O ATOM 384 CB ASN A 779 6.226 3.883 8.982 1.00 0.00 C ATOM 385 CG ASN A 779 5.494 5.210 9.020 1.00 0.00 C ATOM 386 OD1 ASN A 779 5.986 6.223 8.523 1.00 0.00 O ATOM 387 ND2 ASN A 779 4.316 5.215 9.624 1.00 0.00 N ATOM 0 H ASN A 779 5.408 2.943 6.856 1.00 0.00 H new ATOM 0 HA ASN A 779 7.474 4.726 7.452 1.00 0.00 H new ATOM 0 HB2 ASN A 779 5.498 3.071 8.991 1.00 0.00 H new ATOM 0 HB3 ASN A 779 6.829 3.780 9.884 1.00 0.00 H new ATOM 0 HD21 ASN A 779 3.781 6.081 9.690 1.00 0.00 H new ATOM 0 HD22 ASN A 779 3.944 4.353 10.023 1.00 0.00 H new ATOM 394 N GLU A 780 8.143 1.566 8.017 1.00 0.00 N ATOM 395 CA GLU A 780 9.206 0.613 8.292 1.00 0.00 C ATOM 396 C GLU A 780 10.333 0.753 7.281 1.00 0.00 C ATOM 397 O GLU A 780 11.495 0.931 7.650 1.00 0.00 O ATOM 398 CB GLU A 780 8.661 -0.814 8.237 1.00 0.00 C ATOM 399 CG GLU A 780 7.826 -1.195 9.443 1.00 0.00 C ATOM 400 CD GLU A 780 8.674 -1.520 10.651 1.00 0.00 C ATOM 401 OE1 GLU A 780 9.782 -2.074 10.475 1.00 0.00 O ATOM 402 OE2 GLU A 780 8.234 -1.234 11.783 1.00 0.00 O ATOM 0 H GLU A 780 7.254 1.137 7.758 1.00 0.00 H new ATOM 0 HA GLU A 780 9.594 0.821 9.289 1.00 0.00 H new ATOM 0 HB2 GLU A 780 8.057 -0.928 7.337 1.00 0.00 H new ATOM 0 HB3 GLU A 780 9.496 -1.509 8.150 1.00 0.00 H new ATOM 0 HG2 GLU A 780 7.150 -0.376 9.687 1.00 0.00 H new ATOM 0 HG3 GLU A 780 7.206 -2.057 9.195 1.00 0.00 H new ATOM 409 N LEU A 781 9.975 0.671 6.006 1.00 0.00 N ATOM 410 CA LEU A 781 10.949 0.722 4.923 1.00 0.00 C ATOM 411 C LEU A 781 11.654 2.071 4.881 1.00 0.00 C ATOM 412 O LEU A 781 12.863 2.130 4.683 1.00 0.00 O ATOM 413 CB LEU A 781 10.264 0.453 3.585 1.00 0.00 C ATOM 414 CG LEU A 781 11.213 0.218 2.412 1.00 0.00 C ATOM 415 CD1 LEU A 781 11.210 -1.247 2.009 1.00 0.00 C ATOM 416 CD2 LEU A 781 10.825 1.099 1.237 1.00 0.00 C ATOM 0 H LEU A 781 9.009 0.568 5.695 1.00 0.00 H new ATOM 0 HA LEU A 781 11.697 -0.050 5.107 1.00 0.00 H new ATOM 0 HB2 LEU A 781 9.620 -0.420 3.692 1.00 0.00 H new ATOM 0 HB3 LEU A 781 9.619 1.299 3.347 1.00 0.00 H new ATOM 0 HG LEU A 781 12.224 0.483 2.723 1.00 0.00 H new ATOM 0 HD11 LEU A 781 11.892 -1.395 1.172 1.00 0.00 H new ATOM 0 HD12 LEU A 781 11.533 -1.857 2.853 1.00 0.00 H new ATOM 0 HD13 LEU A 781 10.203 -1.541 1.713 1.00 0.00 H new ATOM 0 HD21 LEU A 781 11.510 0.922 0.408 1.00 0.00 H new ATOM 0 HD22 LEU A 781 9.808 0.862 0.925 1.00 0.00 H new ATOM 0 HD23 LEU A 781 10.879 2.146 1.534 1.00 0.00 H new ATOM 428 N LEU A 782 10.899 3.149 5.073 1.00 0.00 N ATOM 429 CA LEU A 782 11.469 4.493 5.068 1.00 0.00 C ATOM 430 C LEU A 782 12.572 4.610 6.114 1.00 0.00 C ATOM 431 O LEU A 782 13.653 5.134 5.838 1.00 0.00 O ATOM 432 CB LEU A 782 10.382 5.537 5.338 1.00 0.00 C ATOM 433 CG LEU A 782 9.924 6.334 4.115 1.00 0.00 C ATOM 434 CD1 LEU A 782 9.018 7.480 4.538 1.00 0.00 C ATOM 435 CD2 LEU A 782 11.122 6.857 3.336 1.00 0.00 C ATOM 0 H LEU A 782 9.892 3.118 5.234 1.00 0.00 H new ATOM 0 HA LEU A 782 11.898 4.677 4.083 1.00 0.00 H new ATOM 0 HB2 LEU A 782 9.516 5.033 5.768 1.00 0.00 H new ATOM 0 HB3 LEU A 782 10.750 6.235 6.089 1.00 0.00 H new ATOM 0 HG LEU A 782 9.358 5.669 3.463 1.00 0.00 H new ATOM 0 HD11 LEU A 782 8.701 8.037 3.657 1.00 0.00 H new ATOM 0 HD12 LEU A 782 8.142 7.081 5.050 1.00 0.00 H new ATOM 0 HD13 LEU A 782 9.561 8.144 5.211 1.00 0.00 H new ATOM 0 HD21 LEU A 782 10.775 7.421 2.470 1.00 0.00 H new ATOM 0 HD22 LEU A 782 11.718 7.507 3.977 1.00 0.00 H new ATOM 0 HD23 LEU A 782 11.733 6.018 3.002 1.00 0.00 H new ATOM 701 N ALA A 801 9.115 7.737 -4.117 1.00 0.00 N ATOM 702 CA ALA A 801 8.182 6.639 -4.314 1.00 0.00 C ATOM 703 C ALA A 801 7.383 6.383 -3.043 1.00 0.00 C ATOM 704 O ALA A 801 6.156 6.289 -3.080 1.00 0.00 O ATOM 705 CB ALA A 801 8.920 5.382 -4.745 1.00 0.00 C ATOM 0 HA ALA A 801 7.487 6.916 -5.106 1.00 0.00 H new ATOM 0 HB1 ALA A 801 8.205 4.571 -4.887 1.00 0.00 H new ATOM 0 HB2 ALA A 801 9.445 5.571 -5.681 1.00 0.00 H new ATOM 0 HB3 ALA A 801 9.639 5.101 -3.976 1.00 0.00 H new ATOM 711 N THR A 802 8.082 6.300 -1.916 1.00 0.00 N ATOM 712 CA THR A 802 7.433 6.095 -0.632 1.00 0.00 C ATOM 713 C THR A 802 6.517 7.271 -0.300 1.00 0.00 C ATOM 714 O THR A 802 5.410 7.089 0.210 1.00 0.00 O ATOM 715 CB THR A 802 8.474 5.915 0.489 1.00 0.00 C ATOM 716 OG1 THR A 802 9.684 6.597 0.143 1.00 0.00 O ATOM 717 CG2 THR A 802 8.775 4.442 0.718 1.00 0.00 C ATOM 0 H THR A 802 9.098 6.372 -1.869 1.00 0.00 H new ATOM 0 HA THR A 802 6.835 5.186 -0.702 1.00 0.00 H new ATOM 0 HB THR A 802 8.062 6.335 1.407 1.00 0.00 H new ATOM 0 HG1 THR A 802 10.426 6.235 0.671 1.00 0.00 H new ATOM 0 HG21 THR A 802 9.513 4.341 1.514 1.00 0.00 H new ATOM 0 HG22 THR A 802 7.860 3.924 1.003 1.00 0.00 H new ATOM 0 HG23 THR A 802 9.169 4.004 -0.199 1.00 0.00 H new ATOM 725 N ASP A 803 6.981 8.477 -0.617 1.00 0.00 N ATOM 726 CA ASP A 803 6.201 9.692 -0.396 1.00 0.00 C ATOM 727 C ASP A 803 4.887 9.630 -1.165 1.00 0.00 C ATOM 728 O ASP A 803 3.819 9.902 -0.616 1.00 0.00 O ATOM 729 CB ASP A 803 6.998 10.925 -0.834 1.00 0.00 C ATOM 730 CG ASP A 803 6.155 12.183 -0.864 1.00 0.00 C ATOM 731 OD1 ASP A 803 5.798 12.691 0.219 1.00 0.00 O ATOM 732 OD2 ASP A 803 5.844 12.669 -1.973 1.00 0.00 O ATOM 0 H ASP A 803 7.899 8.639 -1.030 1.00 0.00 H new ATOM 0 HA ASP A 803 5.984 9.769 0.669 1.00 0.00 H new ATOM 0 HB2 ASP A 803 7.837 11.071 -0.154 1.00 0.00 H new ATOM 0 HB3 ASP A 803 7.417 10.749 -1.825 1.00 0.00 H new ATOM 737 N THR A 804 4.975 9.249 -2.433 1.00 0.00 N ATOM 738 CA THR A 804 3.800 9.141 -3.285 1.00 0.00 C ATOM 739 C THR A 804 2.796 8.144 -2.708 1.00 0.00 C ATOM 740 O THR A 804 1.602 8.431 -2.639 1.00 0.00 O ATOM 741 CB THR A 804 4.193 8.719 -4.716 1.00 0.00 C ATOM 742 OG1 THR A 804 5.281 9.533 -5.177 1.00 0.00 O ATOM 743 CG2 THR A 804 3.015 8.857 -5.670 1.00 0.00 C ATOM 0 H THR A 804 5.852 9.009 -2.895 1.00 0.00 H new ATOM 0 HA THR A 804 3.332 10.125 -3.326 1.00 0.00 H new ATOM 0 HB THR A 804 4.497 7.672 -4.693 1.00 0.00 H new ATOM 0 HG1 THR A 804 5.530 9.262 -6.085 1.00 0.00 H new ATOM 0 HG21 THR A 804 3.320 8.553 -6.671 1.00 0.00 H new ATOM 0 HG22 THR A 804 2.196 8.222 -5.332 1.00 0.00 H new ATOM 0 HG23 THR A 804 2.684 9.895 -5.691 1.00 0.00 H new ATOM 751 N ILE A 805 3.289 6.988 -2.273 1.00 0.00 N ATOM 752 CA ILE A 805 2.434 5.963 -1.681 1.00 0.00 C ATOM 753 C ILE A 805 1.739 6.489 -0.429 1.00 0.00 C ATOM 754 O ILE A 805 0.516 6.423 -0.316 1.00 0.00 O ATOM 755 CB ILE A 805 3.240 4.701 -1.315 1.00 0.00 C ATOM 756 CG1 ILE A 805 3.732 4.001 -2.576 1.00 0.00 C ATOM 757 CG2 ILE A 805 2.405 3.745 -0.473 1.00 0.00 C ATOM 758 CD1 ILE A 805 5.034 3.266 -2.373 1.00 0.00 C ATOM 0 H ILE A 805 4.277 6.737 -2.319 1.00 0.00 H new ATOM 0 HA ILE A 805 1.686 5.702 -2.429 1.00 0.00 H new ATOM 0 HB ILE A 805 4.102 5.010 -0.725 1.00 0.00 H new ATOM 0 HG12 ILE A 805 2.972 3.296 -2.913 1.00 0.00 H new ATOM 0 HG13 ILE A 805 3.857 4.738 -3.369 1.00 0.00 H new ATOM 0 HG21 ILE A 805 2.997 2.863 -0.229 1.00 0.00 H new ATOM 0 HG22 ILE A 805 2.099 4.243 0.447 1.00 0.00 H new ATOM 0 HG23 ILE A 805 1.520 3.444 -1.034 1.00 0.00 H new ATOM 0 HD11 ILE A 805 5.332 2.789 -3.307 1.00 0.00 H new ATOM 0 HD12 ILE A 805 5.806 3.971 -2.064 1.00 0.00 H new ATOM 0 HD13 ILE A 805 4.907 2.506 -1.602 1.00 0.00 H new ATOM 770 N LEU A 806 2.528 7.013 0.502 1.00 0.00 N ATOM 771 CA LEU A 806 1.995 7.544 1.753 1.00 0.00 C ATOM 772 C LEU A 806 0.910 8.591 1.482 1.00 0.00 C ATOM 773 O LEU A 806 -0.168 8.543 2.078 1.00 0.00 O ATOM 774 CB LEU A 806 3.128 8.135 2.602 1.00 0.00 C ATOM 775 CG LEU A 806 3.079 7.817 4.105 1.00 0.00 C ATOM 776 CD1 LEU A 806 3.868 8.852 4.894 1.00 0.00 C ATOM 777 CD2 LEU A 806 1.647 7.744 4.612 1.00 0.00 C ATOM 0 H LEU A 806 3.542 7.082 0.414 1.00 0.00 H new ATOM 0 HA LEU A 806 1.537 6.727 2.310 1.00 0.00 H new ATOM 0 HB2 LEU A 806 4.078 7.776 2.206 1.00 0.00 H new ATOM 0 HB3 LEU A 806 3.120 9.218 2.479 1.00 0.00 H new ATOM 0 HG LEU A 806 3.536 6.838 4.252 1.00 0.00 H new ATOM 0 HD11 LEU A 806 3.823 8.612 5.956 1.00 0.00 H new ATOM 0 HD12 LEU A 806 4.907 8.846 4.565 1.00 0.00 H new ATOM 0 HD13 LEU A 806 3.440 9.840 4.727 1.00 0.00 H new ATOM 0 HD21 LEU A 806 1.650 7.517 5.678 1.00 0.00 H new ATOM 0 HD22 LEU A 806 1.153 8.701 4.446 1.00 0.00 H new ATOM 0 HD23 LEU A 806 1.111 6.961 4.076 1.00 0.00 H new ATOM 789 N THR A 807 1.184 9.511 0.566 1.00 0.00 N ATOM 790 CA THR A 807 0.204 10.519 0.184 1.00 0.00 C ATOM 791 C THR A 807 -1.043 9.873 -0.425 1.00 0.00 C ATOM 792 O THR A 807 -2.169 10.215 -0.064 1.00 0.00 O ATOM 793 CB THR A 807 0.805 11.525 -0.817 1.00 0.00 C ATOM 794 OG1 THR A 807 1.947 12.163 -0.232 1.00 0.00 O ATOM 795 CG2 THR A 807 -0.215 12.580 -1.222 1.00 0.00 C ATOM 0 H THR A 807 2.075 9.580 0.075 1.00 0.00 H new ATOM 0 HA THR A 807 -0.082 11.052 1.091 1.00 0.00 H new ATOM 0 HB THR A 807 1.102 10.977 -1.711 1.00 0.00 H new ATOM 0 HG1 THR A 807 2.713 11.552 -0.260 1.00 0.00 H new ATOM 0 HG21 THR A 807 0.240 13.274 -1.928 1.00 0.00 H new ATOM 0 HG22 THR A 807 -1.072 12.096 -1.690 1.00 0.00 H new ATOM 0 HG23 THR A 807 -0.544 13.126 -0.338 1.00 0.00 H new ATOM 803 N VAL A 808 -0.831 8.929 -1.335 1.00 0.00 N ATOM 804 CA VAL A 808 -1.927 8.232 -1.997 1.00 0.00 C ATOM 805 C VAL A 808 -2.833 7.538 -0.976 1.00 0.00 C ATOM 806 O VAL A 808 -4.055 7.684 -1.017 1.00 0.00 O ATOM 807 CB VAL A 808 -1.389 7.197 -3.014 1.00 0.00 C ATOM 808 CG1 VAL A 808 -2.378 6.063 -3.233 1.00 0.00 C ATOM 809 CG2 VAL A 808 -1.054 7.870 -4.337 1.00 0.00 C ATOM 0 H VAL A 808 0.097 8.627 -1.633 1.00 0.00 H new ATOM 0 HA VAL A 808 -2.515 8.977 -2.534 1.00 0.00 H new ATOM 0 HB VAL A 808 -0.478 6.769 -2.597 1.00 0.00 H new ATOM 0 HG11 VAL A 808 -1.967 5.355 -3.953 1.00 0.00 H new ATOM 0 HG12 VAL A 808 -2.562 5.553 -2.287 1.00 0.00 H new ATOM 0 HG13 VAL A 808 -3.315 6.467 -3.616 1.00 0.00 H new ATOM 0 HG21 VAL A 808 -0.677 7.126 -5.039 1.00 0.00 H new ATOM 0 HG22 VAL A 808 -1.951 8.334 -4.747 1.00 0.00 H new ATOM 0 HG23 VAL A 808 -0.293 8.633 -4.175 1.00 0.00 H new ATOM 819 N THR A 809 -2.224 6.806 -0.050 1.00 0.00 N ATOM 820 CA THR A 809 -2.974 6.078 0.964 1.00 0.00 C ATOM 821 C THR A 809 -3.754 7.041 1.860 1.00 0.00 C ATOM 822 O THR A 809 -4.904 6.779 2.220 1.00 0.00 O ATOM 823 CB THR A 809 -2.051 5.194 1.827 1.00 0.00 C ATOM 824 OG1 THR A 809 -0.965 4.690 1.034 1.00 0.00 O ATOM 825 CG2 THR A 809 -2.821 4.026 2.417 1.00 0.00 C ATOM 0 H THR A 809 -1.212 6.702 0.019 1.00 0.00 H new ATOM 0 HA THR A 809 -3.677 5.430 0.441 1.00 0.00 H new ATOM 0 HB THR A 809 -1.659 5.808 2.638 1.00 0.00 H new ATOM 0 HG1 THR A 809 -0.296 5.395 0.910 1.00 0.00 H new ATOM 0 HG21 THR A 809 -2.150 3.416 3.022 1.00 0.00 H new ATOM 0 HG22 THR A 809 -3.631 4.403 3.042 1.00 0.00 H new ATOM 0 HG23 THR A 809 -3.236 3.420 1.612 1.00 0.00 H new ATOM 833 N GLU A 810 -3.129 8.168 2.190 1.00 0.00 N ATOM 834 CA GLU A 810 -3.776 9.203 2.985 1.00 0.00 C ATOM 835 C GLU A 810 -4.990 9.754 2.243 1.00 0.00 C ATOM 836 O GLU A 810 -6.043 9.973 2.835 1.00 0.00 O ATOM 837 CB GLU A 810 -2.789 10.331 3.294 1.00 0.00 C ATOM 838 CG GLU A 810 -3.290 11.316 4.338 1.00 0.00 C ATOM 839 CD GLU A 810 -3.494 10.673 5.694 1.00 0.00 C ATOM 840 OE1 GLU A 810 -2.490 10.310 6.340 1.00 0.00 O ATOM 841 OE2 GLU A 810 -4.657 10.541 6.125 1.00 0.00 O ATOM 0 H GLU A 810 -2.171 8.387 1.917 1.00 0.00 H new ATOM 0 HA GLU A 810 -4.108 8.764 3.926 1.00 0.00 H new ATOM 0 HB2 GLU A 810 -1.851 9.896 3.639 1.00 0.00 H new ATOM 0 HB3 GLU A 810 -2.570 10.872 2.373 1.00 0.00 H new ATOM 0 HG2 GLU A 810 -2.577 12.135 4.432 1.00 0.00 H new ATOM 0 HG3 GLU A 810 -4.231 11.750 4.001 1.00 0.00 H new ATOM 848 N ASN A 811 -4.834 9.953 0.937 1.00 0.00 N ATOM 849 CA ASN A 811 -5.920 10.446 0.090 1.00 0.00 C ATOM 850 C ASN A 811 -7.107 9.490 0.131 1.00 0.00 C ATOM 851 O ASN A 811 -8.263 9.916 0.116 1.00 0.00 O ATOM 852 CB ASN A 811 -5.454 10.601 -1.360 1.00 0.00 C ATOM 853 CG ASN A 811 -4.597 11.831 -1.592 1.00 0.00 C ATOM 854 OD1 ASN A 811 -4.693 12.825 -0.869 1.00 0.00 O ATOM 855 ND2 ASN A 811 -3.757 11.771 -2.615 1.00 0.00 N ATOM 0 H ASN A 811 -3.961 9.780 0.438 1.00 0.00 H new ATOM 0 HA ASN A 811 -6.223 11.420 0.475 1.00 0.00 H new ATOM 0 HB2 ASN A 811 -4.889 9.715 -1.648 1.00 0.00 H new ATOM 0 HB3 ASN A 811 -6.327 10.648 -2.011 1.00 0.00 H new ATOM 0 HD21 ASN A 811 -3.157 12.568 -2.830 1.00 0.00 H new ATOM 0 HD22 ASN A 811 -3.710 10.928 -3.188 1.00 0.00 H new ATOM 862 N ILE A 812 -6.814 8.195 0.175 1.00 0.00 N ATOM 863 CA ILE A 812 -7.852 7.176 0.245 1.00 0.00 C ATOM 864 C ILE A 812 -8.623 7.285 1.561 1.00 0.00 C ATOM 865 O ILE A 812 -9.837 7.086 1.593 1.00 0.00 O ATOM 866 CB ILE A 812 -7.263 5.753 0.094 1.00 0.00 C ATOM 867 CG1 ILE A 812 -6.853 5.501 -1.359 1.00 0.00 C ATOM 868 CG2 ILE A 812 -8.261 4.695 0.549 1.00 0.00 C ATOM 869 CD1 ILE A 812 -5.503 4.831 -1.504 1.00 0.00 C ATOM 0 H ILE A 812 -5.863 7.826 0.163 1.00 0.00 H new ATOM 0 HA ILE A 812 -8.536 7.349 -0.586 1.00 0.00 H new ATOM 0 HB ILE A 812 -6.380 5.683 0.730 1.00 0.00 H new ATOM 0 HG12 ILE A 812 -7.610 4.880 -1.838 1.00 0.00 H new ATOM 0 HG13 ILE A 812 -6.836 6.451 -1.892 1.00 0.00 H new ATOM 0 HG21 ILE A 812 -7.820 3.705 0.432 1.00 0.00 H new ATOM 0 HG22 ILE A 812 -8.512 4.859 1.597 1.00 0.00 H new ATOM 0 HG23 ILE A 812 -9.165 4.764 -0.056 1.00 0.00 H new ATOM 0 HD11 ILE A 812 -5.281 4.685 -2.561 1.00 0.00 H new ATOM 0 HD12 ILE A 812 -4.734 5.460 -1.055 1.00 0.00 H new ATOM 0 HD13 ILE A 812 -5.520 3.865 -1.000 1.00 0.00 H new ATOM 881 N PHE A 813 -7.916 7.622 2.636 1.00 0.00 N ATOM 882 CA PHE A 813 -8.549 7.829 3.937 1.00 0.00 C ATOM 883 C PHE A 813 -9.562 8.968 3.862 1.00 0.00 C ATOM 884 O PHE A 813 -10.694 8.845 4.334 1.00 0.00 O ATOM 885 CB PHE A 813 -7.499 8.160 5.001 1.00 0.00 C ATOM 886 CG PHE A 813 -6.834 6.959 5.608 1.00 0.00 C ATOM 887 CD1 PHE A 813 -7.563 6.050 6.356 1.00 0.00 C ATOM 888 CD2 PHE A 813 -5.474 6.750 5.443 1.00 0.00 C ATOM 889 CE1 PHE A 813 -6.951 4.949 6.920 1.00 0.00 C ATOM 890 CE2 PHE A 813 -4.857 5.651 6.006 1.00 0.00 C ATOM 891 CZ PHE A 813 -5.595 4.752 6.748 1.00 0.00 C ATOM 0 H PHE A 813 -6.905 7.758 2.633 1.00 0.00 H new ATOM 0 HA PHE A 813 -9.060 6.906 4.212 1.00 0.00 H new ATOM 0 HB2 PHE A 813 -6.735 8.797 4.555 1.00 0.00 H new ATOM 0 HB3 PHE A 813 -7.973 8.738 5.794 1.00 0.00 H new ATOM 0 HD1 PHE A 813 -8.622 6.204 6.500 1.00 0.00 H new ATOM 0 HD2 PHE A 813 -4.891 7.454 4.868 1.00 0.00 H new ATOM 0 HE1 PHE A 813 -7.532 4.243 7.495 1.00 0.00 H new ATOM 0 HE2 PHE A 813 -3.798 5.495 5.866 1.00 0.00 H new ATOM 0 HZ PHE A 813 -5.113 3.895 7.194 1.00 0.00 H new ATOM 901 N SER A 814 -9.142 10.076 3.266 1.00 0.00 N ATOM 902 CA SER A 814 -9.995 11.247 3.114 1.00 0.00 C ATOM 903 C SER A 814 -11.161 10.966 2.166 1.00 0.00 C ATOM 904 O SER A 814 -12.275 11.447 2.373 1.00 0.00 O ATOM 905 CB SER A 814 -9.158 12.411 2.587 1.00 0.00 C ATOM 906 OG SER A 814 -7.775 12.132 2.720 1.00 0.00 O ATOM 0 H SER A 814 -8.206 10.188 2.876 1.00 0.00 H new ATOM 0 HA SER A 814 -10.414 11.502 4.087 1.00 0.00 H new ATOM 0 HB2 SER A 814 -9.398 12.594 1.540 1.00 0.00 H new ATOM 0 HB3 SER A 814 -9.405 13.321 3.134 1.00 0.00 H new ATOM 0 HG SER A 814 -7.254 12.888 2.376 1.00 0.00 H new ATOM 912 N SER A 815 -10.900 10.169 1.140 1.00 0.00 N ATOM 913 CA SER A 815 -11.904 9.864 0.131 1.00 0.00 C ATOM 914 C SER A 815 -12.570 8.516 0.399 1.00 0.00 C ATOM 915 O SER A 815 -13.117 7.892 -0.514 1.00 0.00 O ATOM 916 CB SER A 815 -11.258 9.867 -1.256 1.00 0.00 C ATOM 917 OG SER A 815 -10.322 10.929 -1.374 1.00 0.00 O ATOM 0 H SER A 815 -9.997 9.720 0.984 1.00 0.00 H new ATOM 0 HA SER A 815 -12.677 10.631 0.174 1.00 0.00 H new ATOM 0 HB2 SER A 815 -10.758 8.914 -1.431 1.00 0.00 H new ATOM 0 HB3 SER A 815 -12.028 9.968 -2.021 1.00 0.00 H new ATOM 0 HG SER A 815 -9.485 10.679 -0.929 1.00 0.00 H new ATOM 923 N MET A 816 -12.519 8.070 1.650 1.00 0.00 N ATOM 924 CA MET A 816 -13.122 6.801 2.041 1.00 0.00 C ATOM 925 C MET A 816 -14.639 6.875 1.927 1.00 0.00 C ATOM 926 O MET A 816 -15.322 7.348 2.837 1.00 0.00 O ATOM 927 CB MET A 816 -12.722 6.432 3.470 1.00 0.00 C ATOM 928 CG MET A 816 -12.652 4.936 3.713 1.00 0.00 C ATOM 929 SD MET A 816 -12.191 4.531 5.408 1.00 0.00 S ATOM 930 CE MET A 816 -10.440 4.218 5.212 1.00 0.00 C ATOM 0 H MET A 816 -12.064 8.571 2.413 1.00 0.00 H new ATOM 0 HA MET A 816 -12.756 6.028 1.366 1.00 0.00 H new ATOM 0 HB2 MET A 816 -11.751 6.874 3.692 1.00 0.00 H new ATOM 0 HB3 MET A 816 -13.438 6.871 4.164 1.00 0.00 H new ATOM 0 HG2 MET A 816 -13.620 4.489 3.487 1.00 0.00 H new ATOM 0 HG3 MET A 816 -11.929 4.494 3.028 1.00 0.00 H new ATOM 0 HE1 MET A 816 -9.924 4.443 6.145 1.00 0.00 H new ATOM 0 HE2 MET A 816 -10.284 3.170 4.954 1.00 0.00 H new ATOM 0 HE3 MET A 816 -10.044 4.850 4.417 1.00 0.00 H new ATOM 940 N GLY A 817 -15.156 6.407 0.805 1.00 0.00 N ATOM 941 CA GLY A 817 -16.578 6.487 0.554 1.00 0.00 C ATOM 942 C GLY A 817 -16.880 7.140 -0.777 1.00 0.00 C ATOM 943 O GLY A 817 -18.034 7.210 -1.194 1.00 0.00 O ATOM 0 H GLY A 817 -14.614 5.971 0.059 1.00 0.00 H new ATOM 0 HA2 GLY A 817 -17.007 5.485 0.572 1.00 0.00 H new ATOM 0 HA3 GLY A 817 -17.056 7.053 1.353 1.00 0.00 H new ATOM 947 N ASP A 818 -15.843 7.632 -1.443 1.00 0.00 N ATOM 948 CA ASP A 818 -16.009 8.220 -2.768 1.00 0.00 C ATOM 949 C ASP A 818 -15.986 7.136 -3.828 1.00 0.00 C ATOM 950 O ASP A 818 -16.517 7.306 -4.928 1.00 0.00 O ATOM 951 CB ASP A 818 -14.918 9.257 -3.048 1.00 0.00 C ATOM 952 CG ASP A 818 -15.051 9.883 -4.424 1.00 0.00 C ATOM 953 OD1 ASP A 818 -15.874 10.810 -4.584 1.00 0.00 O ATOM 954 OD2 ASP A 818 -14.339 9.447 -5.354 1.00 0.00 O ATOM 0 H ASP A 818 -14.885 7.636 -1.092 1.00 0.00 H new ATOM 0 HA ASP A 818 -16.974 8.725 -2.798 1.00 0.00 H new ATOM 0 HB2 ASP A 818 -14.962 10.040 -2.291 1.00 0.00 H new ATOM 0 HB3 ASP A 818 -13.940 8.784 -2.961 1.00 0.00 H new ATOM 959 N ALA A 819 -15.376 6.019 -3.457 1.00 0.00 N ATOM 960 CA ALA A 819 -15.230 4.840 -4.316 1.00 0.00 C ATOM 961 C ALA A 819 -14.297 5.103 -5.502 1.00 0.00 C ATOM 962 O ALA A 819 -13.218 4.515 -5.588 1.00 0.00 O ATOM 963 CB ALA A 819 -16.590 4.342 -4.793 1.00 0.00 C ATOM 0 H ALA A 819 -14.959 5.899 -2.534 1.00 0.00 H new ATOM 0 HA ALA A 819 -14.769 4.058 -3.712 1.00 0.00 H new ATOM 0 HB1 ALA A 819 -16.455 3.467 -5.428 1.00 0.00 H new ATOM 0 HB2 ALA A 819 -17.202 4.074 -3.932 1.00 0.00 H new ATOM 0 HB3 ALA A 819 -17.087 5.129 -5.360 1.00 0.00 H new ATOM 969 N GLY A 820 -14.706 5.999 -6.395 1.00 0.00 N ATOM 970 CA GLY A 820 -13.934 6.286 -7.593 1.00 0.00 C ATOM 971 C GLY A 820 -12.529 6.766 -7.288 1.00 0.00 C ATOM 972 O GLY A 820 -11.556 6.232 -7.826 1.00 0.00 O ATOM 0 H GLY A 820 -15.568 6.537 -6.309 1.00 0.00 H new ATOM 0 HA2 GLY A 820 -13.880 5.388 -8.208 1.00 0.00 H new ATOM 0 HA3 GLY A 820 -14.452 7.044 -8.180 1.00 0.00 H new ATOM 976 N GLU A 821 -12.422 7.768 -6.417 1.00 0.00 N ATOM 977 CA GLU A 821 -11.126 8.300 -6.013 1.00 0.00 C ATOM 978 C GLU A 821 -10.294 7.221 -5.339 1.00 0.00 C ATOM 979 O GLU A 821 -9.089 7.131 -5.551 1.00 0.00 O ATOM 980 CB GLU A 821 -11.304 9.478 -5.056 1.00 0.00 C ATOM 981 CG GLU A 821 -10.028 10.264 -4.809 1.00 0.00 C ATOM 982 CD GLU A 821 -9.586 11.056 -6.020 1.00 0.00 C ATOM 983 OE1 GLU A 821 -10.451 11.443 -6.835 1.00 0.00 O ATOM 984 OE2 GLU A 821 -8.371 11.301 -6.160 1.00 0.00 O ATOM 0 H GLU A 821 -13.220 8.227 -5.978 1.00 0.00 H new ATOM 0 HA GLU A 821 -10.608 8.643 -6.909 1.00 0.00 H new ATOM 0 HB2 GLU A 821 -12.062 10.150 -5.459 1.00 0.00 H new ATOM 0 HB3 GLU A 821 -11.681 9.107 -4.103 1.00 0.00 H new ATOM 0 HG2 GLU A 821 -10.182 10.944 -3.971 1.00 0.00 H new ATOM 0 HG3 GLU A 821 -9.233 9.577 -4.520 1.00 0.00 H new ATOM 991 N MET A 822 -10.956 6.394 -4.540 1.00 0.00 N ATOM 992 CA MET A 822 -10.277 5.333 -3.808 1.00 0.00 C ATOM 993 C MET A 822 -9.597 4.367 -4.765 1.00 0.00 C ATOM 994 O MET A 822 -8.411 4.080 -4.625 1.00 0.00 O ATOM 995 CB MET A 822 -11.266 4.572 -2.933 1.00 0.00 C ATOM 996 CG MET A 822 -11.653 5.310 -1.667 1.00 0.00 C ATOM 997 SD MET A 822 -13.126 4.617 -0.899 1.00 0.00 S ATOM 998 CE MET A 822 -12.740 2.870 -0.988 1.00 0.00 C ATOM 0 H MET A 822 -11.963 6.438 -4.382 1.00 0.00 H new ATOM 0 HA MET A 822 -9.519 5.794 -3.175 1.00 0.00 H new ATOM 0 HB2 MET A 822 -12.166 4.366 -3.512 1.00 0.00 H new ATOM 0 HB3 MET A 822 -10.833 3.609 -2.663 1.00 0.00 H new ATOM 0 HG2 MET A 822 -10.825 5.273 -0.959 1.00 0.00 H new ATOM 0 HG3 MET A 822 -11.827 6.361 -1.900 1.00 0.00 H new ATOM 0 HE1 MET A 822 -13.420 2.314 -0.342 1.00 0.00 H new ATOM 0 HE2 MET A 822 -12.852 2.525 -2.016 1.00 0.00 H new ATOM 0 HE3 MET A 822 -11.713 2.707 -0.660 1.00 0.00 H new ATOM 1008 N VAL A 823 -10.355 3.877 -5.739 1.00 0.00 N ATOM 1009 CA VAL A 823 -9.818 2.967 -6.744 1.00 0.00 C ATOM 1010 C VAL A 823 -8.755 3.668 -7.583 1.00 0.00 C ATOM 1011 O VAL A 823 -7.728 3.080 -7.920 1.00 0.00 O ATOM 1012 CB VAL A 823 -10.928 2.420 -7.669 1.00 0.00 C ATOM 1013 CG1 VAL A 823 -10.357 1.443 -8.686 1.00 0.00 C ATOM 1014 CG2 VAL A 823 -12.026 1.755 -6.855 1.00 0.00 C ATOM 0 H VAL A 823 -11.345 4.095 -5.854 1.00 0.00 H new ATOM 0 HA VAL A 823 -9.369 2.127 -6.214 1.00 0.00 H new ATOM 0 HB VAL A 823 -11.359 3.262 -8.210 1.00 0.00 H new ATOM 0 HG11 VAL A 823 -11.159 1.073 -9.325 1.00 0.00 H new ATOM 0 HG12 VAL A 823 -9.610 1.949 -9.298 1.00 0.00 H new ATOM 0 HG13 VAL A 823 -9.892 0.606 -8.165 1.00 0.00 H new ATOM 0 HG21 VAL A 823 -12.798 1.377 -7.525 1.00 0.00 H new ATOM 0 HG22 VAL A 823 -11.605 0.928 -6.283 1.00 0.00 H new ATOM 0 HG23 VAL A 823 -12.464 2.483 -6.172 1.00 0.00 H new ATOM 1024 N ARG A 824 -9.004 4.935 -7.897 1.00 0.00 N ATOM 1025 CA ARG A 824 -8.056 5.739 -8.657 1.00 0.00 C ATOM 1026 C ARG A 824 -6.710 5.797 -7.943 1.00 0.00 C ATOM 1027 O ARG A 824 -5.678 5.450 -8.518 1.00 0.00 O ATOM 1028 CB ARG A 824 -8.598 7.154 -8.859 1.00 0.00 C ATOM 1029 CG ARG A 824 -8.352 7.701 -10.253 1.00 0.00 C ATOM 1030 CD ARG A 824 -7.576 9.005 -10.215 1.00 0.00 C ATOM 1031 NE ARG A 824 -6.457 8.988 -11.153 1.00 0.00 N ATOM 1032 CZ ARG A 824 -5.411 9.808 -11.086 1.00 0.00 C ATOM 1033 NH1 ARG A 824 -5.358 10.749 -10.153 1.00 0.00 N ATOM 1034 NH2 ARG A 824 -4.425 9.693 -11.966 1.00 0.00 N ATOM 0 H ARG A 824 -9.858 5.428 -7.635 1.00 0.00 H new ATOM 0 HA ARG A 824 -7.917 5.271 -9.632 1.00 0.00 H new ATOM 0 HB2 ARG A 824 -9.670 7.156 -8.660 1.00 0.00 H new ATOM 0 HB3 ARG A 824 -8.137 7.819 -8.129 1.00 0.00 H new ATOM 0 HG2 ARG A 824 -7.801 6.966 -10.840 1.00 0.00 H new ATOM 0 HG3 ARG A 824 -9.306 7.860 -10.755 1.00 0.00 H new ATOM 0 HD2 ARG A 824 -8.242 9.833 -10.456 1.00 0.00 H new ATOM 0 HD3 ARG A 824 -7.204 9.179 -9.205 1.00 0.00 H new ATOM 0 HE ARG A 824 -6.478 8.303 -11.909 1.00 0.00 H new ATOM 0 HH11 ARG A 824 -6.121 10.846 -9.483 1.00 0.00 H new ATOM 0 HH12 ARG A 824 -4.554 11.375 -10.105 1.00 0.00 H new ATOM 0 HH21 ARG A 824 -4.470 8.977 -12.692 1.00 0.00 H new ATOM 0 HH22 ARG A 824 -3.622 10.320 -11.917 1.00 0.00 H new ATOM 1048 N GLN A 825 -6.735 6.220 -6.683 1.00 0.00 N ATOM 1049 CA GLN A 825 -5.523 6.309 -5.881 1.00 0.00 C ATOM 1050 C GLN A 825 -4.909 4.928 -5.681 1.00 0.00 C ATOM 1051 O GLN A 825 -3.696 4.770 -5.752 1.00 0.00 O ATOM 1052 CB GLN A 825 -5.822 6.950 -4.525 1.00 0.00 C ATOM 1053 CG GLN A 825 -6.439 8.335 -4.627 1.00 0.00 C ATOM 1054 CD GLN A 825 -5.407 9.426 -4.835 1.00 0.00 C ATOM 1055 OE1 GLN A 825 -4.261 9.308 -4.402 1.00 0.00 O ATOM 1056 NE2 GLN A 825 -5.810 10.504 -5.487 1.00 0.00 N ATOM 0 H GLN A 825 -7.584 6.507 -6.196 1.00 0.00 H new ATOM 0 HA GLN A 825 -4.808 6.935 -6.415 1.00 0.00 H new ATOM 0 HB2 GLN A 825 -6.497 6.301 -3.967 1.00 0.00 H new ATOM 0 HB3 GLN A 825 -4.897 7.015 -3.952 1.00 0.00 H new ATOM 0 HG2 GLN A 825 -7.149 8.351 -5.454 1.00 0.00 H new ATOM 0 HG3 GLN A 825 -7.003 8.544 -3.718 1.00 0.00 H new ATOM 0 HE21 GLN A 825 -6.769 10.564 -5.830 1.00 0.00 H new ATOM 0 HE22 GLN A 825 -5.162 11.276 -5.646 1.00 0.00 H new ATOM 1065 N ALA A 826 -5.758 3.929 -5.454 1.00 0.00 N ATOM 1066 CA ALA A 826 -5.297 2.559 -5.241 1.00 0.00 C ATOM 1067 C ALA A 826 -4.517 2.043 -6.447 1.00 0.00 C ATOM 1068 O ALA A 826 -3.533 1.317 -6.296 1.00 0.00 O ATOM 1069 CB ALA A 826 -6.475 1.642 -4.941 1.00 0.00 C ATOM 0 H ALA A 826 -6.771 4.043 -5.413 1.00 0.00 H new ATOM 0 HA ALA A 826 -4.625 2.562 -4.382 1.00 0.00 H new ATOM 0 HB1 ALA A 826 -6.114 0.625 -4.785 1.00 0.00 H new ATOM 0 HB2 ALA A 826 -6.986 1.988 -4.042 1.00 0.00 H new ATOM 0 HB3 ALA A 826 -7.170 1.656 -5.781 1.00 0.00 H new ATOM 1075 N ARG A 827 -4.954 2.428 -7.640 1.00 0.00 N ATOM 1076 CA ARG A 827 -4.274 2.036 -8.869 1.00 0.00 C ATOM 1077 C ARG A 827 -2.877 2.645 -8.922 1.00 0.00 C ATOM 1078 O ARG A 827 -1.908 1.980 -9.302 1.00 0.00 O ATOM 1079 CB ARG A 827 -5.086 2.474 -10.088 1.00 0.00 C ATOM 1080 CG ARG A 827 -6.290 1.589 -10.362 1.00 0.00 C ATOM 1081 CD ARG A 827 -7.155 2.155 -11.474 1.00 0.00 C ATOM 1082 NE ARG A 827 -6.917 1.482 -12.749 1.00 0.00 N ATOM 1083 CZ ARG A 827 -7.333 1.945 -13.926 1.00 0.00 C ATOM 1084 NH1 ARG A 827 -8.016 3.081 -13.995 1.00 0.00 N ATOM 1085 NH2 ARG A 827 -7.068 1.262 -15.032 1.00 0.00 N ATOM 0 H ARG A 827 -5.778 3.012 -7.783 1.00 0.00 H new ATOM 0 HA ARG A 827 -4.181 0.950 -8.881 1.00 0.00 H new ATOM 0 HB2 ARG A 827 -5.425 3.499 -9.940 1.00 0.00 H new ATOM 0 HB3 ARG A 827 -4.439 2.475 -10.965 1.00 0.00 H new ATOM 0 HG2 ARG A 827 -5.953 0.589 -10.635 1.00 0.00 H new ATOM 0 HG3 ARG A 827 -6.883 1.489 -9.453 1.00 0.00 H new ATOM 0 HD2 ARG A 827 -8.206 2.056 -11.202 1.00 0.00 H new ATOM 0 HD3 ARG A 827 -6.954 3.221 -11.583 1.00 0.00 H new ATOM 0 HE ARG A 827 -6.400 0.603 -12.737 1.00 0.00 H new ATOM 0 HH11 ARG A 827 -8.224 3.603 -13.144 1.00 0.00 H new ATOM 0 HH12 ARG A 827 -8.333 3.432 -14.899 1.00 0.00 H new ATOM 0 HH21 ARG A 827 -6.548 0.386 -14.978 1.00 0.00 H new ATOM 0 HH22 ARG A 827 -7.385 1.613 -15.936 1.00 0.00 H new ATOM 1099 N ILE A 828 -2.780 3.909 -8.527 1.00 0.00 N ATOM 1100 CA ILE A 828 -1.494 4.592 -8.443 1.00 0.00 C ATOM 1101 C ILE A 828 -0.653 3.990 -7.320 1.00 0.00 C ATOM 1102 O ILE A 828 0.562 3.842 -7.448 1.00 0.00 O ATOM 1103 CB ILE A 828 -1.670 6.108 -8.198 1.00 0.00 C ATOM 1104 CG1 ILE A 828 -2.601 6.719 -9.250 1.00 0.00 C ATOM 1105 CG2 ILE A 828 -0.321 6.816 -8.213 1.00 0.00 C ATOM 1106 CD1 ILE A 828 -3.496 7.813 -8.707 1.00 0.00 C ATOM 0 H ILE A 828 -3.579 4.483 -8.259 1.00 0.00 H new ATOM 0 HA ILE A 828 -0.986 4.457 -9.398 1.00 0.00 H new ATOM 0 HB ILE A 828 -2.120 6.243 -7.215 1.00 0.00 H new ATOM 0 HG12 ILE A 828 -1.999 7.124 -10.064 1.00 0.00 H new ATOM 0 HG13 ILE A 828 -3.222 5.931 -9.675 1.00 0.00 H new ATOM 0 HG21 ILE A 828 -0.468 7.882 -8.039 1.00 0.00 H new ATOM 0 HG22 ILE A 828 0.315 6.404 -7.429 1.00 0.00 H new ATOM 0 HG23 ILE A 828 0.156 6.669 -9.182 1.00 0.00 H new ATOM 0 HD11 ILE A 828 -4.127 8.198 -9.508 1.00 0.00 H new ATOM 0 HD12 ILE A 828 -4.124 7.409 -7.913 1.00 0.00 H new ATOM 0 HD13 ILE A 828 -2.882 8.621 -8.308 1.00 0.00 H new ATOM 1118 N LEU A 829 -1.320 3.637 -6.227 1.00 0.00 N ATOM 1119 CA LEU A 829 -0.677 3.005 -5.083 1.00 0.00 C ATOM 1120 C LEU A 829 0.021 1.717 -5.511 1.00 0.00 C ATOM 1121 O LEU A 829 1.195 1.509 -5.209 1.00 0.00 O ATOM 1122 CB LEU A 829 -1.731 2.719 -4.001 1.00 0.00 C ATOM 1123 CG LEU A 829 -1.330 1.747 -2.889 1.00 0.00 C ATOM 1124 CD1 LEU A 829 -0.115 2.263 -2.136 1.00 0.00 C ATOM 1125 CD2 LEU A 829 -2.494 1.541 -1.939 1.00 0.00 C ATOM 0 H LEU A 829 -2.323 3.782 -6.110 1.00 0.00 H new ATOM 0 HA LEU A 829 0.078 3.677 -4.675 1.00 0.00 H new ATOM 0 HB2 LEU A 829 -2.011 3.666 -3.540 1.00 0.00 H new ATOM 0 HB3 LEU A 829 -2.623 2.327 -4.490 1.00 0.00 H new ATOM 0 HG LEU A 829 -1.068 0.790 -3.340 1.00 0.00 H new ATOM 0 HD11 LEU A 829 0.153 1.557 -1.350 1.00 0.00 H new ATOM 0 HD12 LEU A 829 0.721 2.372 -2.826 1.00 0.00 H new ATOM 0 HD13 LEU A 829 -0.347 3.231 -1.691 1.00 0.00 H new ATOM 0 HD21 LEU A 829 -2.202 0.848 -1.150 1.00 0.00 H new ATOM 0 HD22 LEU A 829 -2.776 2.496 -1.497 1.00 0.00 H new ATOM 0 HD23 LEU A 829 -3.342 1.130 -2.487 1.00 0.00 H new ATOM 1137 N ALA A 830 -0.698 0.878 -6.242 1.00 0.00 N ATOM 1138 CA ALA A 830 -0.143 -0.374 -6.732 1.00 0.00 C ATOM 1139 C ALA A 830 1.032 -0.115 -7.668 1.00 0.00 C ATOM 1140 O ALA A 830 2.046 -0.813 -7.622 1.00 0.00 O ATOM 1141 CB ALA A 830 -1.217 -1.189 -7.436 1.00 0.00 C ATOM 0 H ALA A 830 -1.669 1.042 -6.509 1.00 0.00 H new ATOM 0 HA ALA A 830 0.223 -0.945 -5.878 1.00 0.00 H new ATOM 0 HB1 ALA A 830 -0.787 -2.123 -7.797 1.00 0.00 H new ATOM 0 HB2 ALA A 830 -2.024 -1.408 -6.737 1.00 0.00 H new ATOM 0 HB3 ALA A 830 -1.611 -0.621 -8.279 1.00 0.00 H new ATOM 1147 N GLN A 831 0.890 0.907 -8.501 1.00 0.00 N ATOM 1148 CA GLN A 831 1.924 1.280 -9.458 1.00 0.00 C ATOM 1149 C GLN A 831 3.187 1.758 -8.740 1.00 0.00 C ATOM 1150 O GLN A 831 4.301 1.346 -9.076 1.00 0.00 O ATOM 1151 CB GLN A 831 1.390 2.377 -10.383 1.00 0.00 C ATOM 1152 CG GLN A 831 2.352 2.784 -11.485 1.00 0.00 C ATOM 1153 CD GLN A 831 2.166 4.227 -11.906 1.00 0.00 C ATOM 1154 OE1 GLN A 831 1.101 4.613 -12.390 1.00 0.00 O ATOM 1155 NE2 GLN A 831 3.194 5.037 -11.716 1.00 0.00 N ATOM 0 H GLN A 831 0.060 1.498 -8.533 1.00 0.00 H new ATOM 0 HA GLN A 831 2.188 0.403 -10.050 1.00 0.00 H new ATOM 0 HB2 GLN A 831 0.460 2.034 -10.836 1.00 0.00 H new ATOM 0 HB3 GLN A 831 1.148 3.255 -9.785 1.00 0.00 H new ATOM 0 HG2 GLN A 831 3.376 2.637 -11.143 1.00 0.00 H new ATOM 0 HG3 GLN A 831 2.208 2.134 -12.348 1.00 0.00 H new ATOM 0 HE21 GLN A 831 4.059 4.677 -11.312 1.00 0.00 H new ATOM 0 HE22 GLN A 831 3.122 6.021 -11.973 1.00 0.00 H new ATOM 1164 N ALA A 832 3.000 2.613 -7.744 1.00 0.00 N ATOM 1165 CA ALA A 832 4.115 3.197 -7.010 1.00 0.00 C ATOM 1166 C ALA A 832 4.902 2.136 -6.247 1.00 0.00 C ATOM 1167 O ALA A 832 6.128 2.068 -6.360 1.00 0.00 O ATOM 1168 CB ALA A 832 3.611 4.273 -6.061 1.00 0.00 C ATOM 0 H ALA A 832 2.081 2.919 -7.424 1.00 0.00 H new ATOM 0 HA ALA A 832 4.792 3.650 -7.734 1.00 0.00 H new ATOM 0 HB1 ALA A 832 4.453 4.702 -5.518 1.00 0.00 H new ATOM 0 HB2 ALA A 832 3.110 5.055 -6.631 1.00 0.00 H new ATOM 0 HB3 ALA A 832 2.908 3.834 -5.353 1.00 0.00 H new ATOM 1174 N THR A 833 4.204 1.299 -5.485 1.00 0.00 N ATOM 1175 CA THR A 833 4.860 0.256 -4.707 1.00 0.00 C ATOM 1176 C THR A 833 5.588 -0.741 -5.608 1.00 0.00 C ATOM 1177 O THR A 833 6.618 -1.297 -5.220 1.00 0.00 O ATOM 1178 CB THR A 833 3.860 -0.498 -3.815 1.00 0.00 C ATOM 1179 OG1 THR A 833 2.905 0.418 -3.272 1.00 0.00 O ATOM 1180 CG2 THR A 833 4.582 -1.211 -2.682 1.00 0.00 C ATOM 0 H THR A 833 3.189 1.323 -5.391 1.00 0.00 H new ATOM 0 HA THR A 833 5.591 0.756 -4.071 1.00 0.00 H new ATOM 0 HB THR A 833 3.347 -1.241 -4.426 1.00 0.00 H new ATOM 0 HG1 THR A 833 2.241 0.643 -3.957 1.00 0.00 H new ATOM 0 HG21 THR A 833 3.856 -1.738 -2.063 1.00 0.00 H new ATOM 0 HG22 THR A 833 5.293 -1.926 -3.096 1.00 0.00 H new ATOM 0 HG23 THR A 833 5.115 -0.480 -2.074 1.00 0.00 H new ATOM 1188 N SER A 834 5.062 -0.957 -6.811 1.00 0.00 N ATOM 1189 CA SER A 834 5.701 -1.853 -7.764 1.00 0.00 C ATOM 1190 C SER A 834 7.111 -1.363 -8.087 1.00 0.00 C ATOM 1191 O SER A 834 8.064 -2.141 -8.076 1.00 0.00 O ATOM 1192 CB SER A 834 4.872 -1.958 -9.047 1.00 0.00 C ATOM 1193 OG SER A 834 3.606 -2.545 -8.791 1.00 0.00 O ATOM 0 H SER A 834 4.200 -0.526 -7.145 1.00 0.00 H new ATOM 0 HA SER A 834 5.766 -2.843 -7.313 1.00 0.00 H new ATOM 0 HB2 SER A 834 4.736 -0.966 -9.478 1.00 0.00 H new ATOM 0 HB3 SER A 834 5.410 -2.554 -9.784 1.00 0.00 H new ATOM 0 HG SER A 834 2.943 -1.839 -8.640 1.00 0.00 H new ATOM 1199 N ASP A 835 7.238 -0.063 -8.341 1.00 0.00 N ATOM 1200 CA ASP A 835 8.537 0.534 -8.632 1.00 0.00 C ATOM 1201 C ASP A 835 9.405 0.552 -7.381 1.00 0.00 C ATOM 1202 O ASP A 835 10.607 0.299 -7.447 1.00 0.00 O ATOM 1203 CB ASP A 835 8.375 1.959 -9.170 1.00 0.00 C ATOM 1204 CG ASP A 835 9.684 2.544 -9.675 1.00 0.00 C ATOM 1205 OD1 ASP A 835 10.216 2.033 -10.683 1.00 0.00 O ATOM 1206 OD2 ASP A 835 10.183 3.518 -9.071 1.00 0.00 O ATOM 0 H ASP A 835 6.459 0.595 -8.351 1.00 0.00 H new ATOM 0 HA ASP A 835 9.023 -0.074 -9.396 1.00 0.00 H new ATOM 0 HB2 ASP A 835 7.645 1.957 -9.980 1.00 0.00 H new ATOM 0 HB3 ASP A 835 7.975 2.598 -8.382 1.00 0.00 H new ATOM 1211 N LEU A 836 8.779 0.836 -6.243 1.00 0.00 N ATOM 1212 CA LEU A 836 9.483 0.900 -4.967 1.00 0.00 C ATOM 1213 C LEU A 836 10.132 -0.442 -4.632 1.00 0.00 C ATOM 1214 O LEU A 836 11.334 -0.511 -4.383 1.00 0.00 O ATOM 1215 CB LEU A 836 8.500 1.307 -3.856 1.00 0.00 C ATOM 1216 CG LEU A 836 8.995 1.127 -2.418 1.00 0.00 C ATOM 1217 CD1 LEU A 836 10.134 2.089 -2.126 1.00 0.00 C ATOM 1218 CD2 LEU A 836 7.860 1.345 -1.436 1.00 0.00 C ATOM 0 H LEU A 836 7.779 1.027 -6.179 1.00 0.00 H new ATOM 0 HA LEU A 836 10.274 1.646 -5.043 1.00 0.00 H new ATOM 0 HB2 LEU A 836 8.236 2.355 -3.999 1.00 0.00 H new ATOM 0 HB3 LEU A 836 7.585 0.728 -3.979 1.00 0.00 H new ATOM 0 HG LEU A 836 9.362 0.107 -2.305 1.00 0.00 H new ATOM 0 HD11 LEU A 836 10.475 1.949 -1.100 1.00 0.00 H new ATOM 0 HD12 LEU A 836 10.959 1.895 -2.812 1.00 0.00 H new ATOM 0 HD13 LEU A 836 9.787 3.114 -2.256 1.00 0.00 H new ATOM 0 HD21 LEU A 836 8.229 1.213 -0.419 1.00 0.00 H new ATOM 0 HD22 LEU A 836 7.468 2.355 -1.552 1.00 0.00 H new ATOM 0 HD23 LEU A 836 7.067 0.623 -1.631 1.00 0.00 H new ATOM 1230 N VAL A 837 9.343 -1.508 -4.680 1.00 0.00 N ATOM 1231 CA VAL A 837 9.833 -2.840 -4.341 1.00 0.00 C ATOM 1232 C VAL A 837 10.853 -3.314 -5.372 1.00 0.00 C ATOM 1233 O VAL A 837 11.881 -3.897 -5.023 1.00 0.00 O ATOM 1234 CB VAL A 837 8.666 -3.851 -4.246 1.00 0.00 C ATOM 1235 CG1 VAL A 837 9.180 -5.275 -4.081 1.00 0.00 C ATOM 1236 CG2 VAL A 837 7.741 -3.479 -3.097 1.00 0.00 C ATOM 0 H VAL A 837 8.360 -1.477 -4.951 1.00 0.00 H new ATOM 0 HA VAL A 837 10.318 -2.781 -3.367 1.00 0.00 H new ATOM 0 HB VAL A 837 8.103 -3.808 -5.179 1.00 0.00 H new ATOM 0 HG11 VAL A 837 8.336 -5.961 -4.017 1.00 0.00 H new ATOM 0 HG12 VAL A 837 9.799 -5.540 -4.938 1.00 0.00 H new ATOM 0 HG13 VAL A 837 9.774 -5.344 -3.169 1.00 0.00 H new ATOM 0 HG21 VAL A 837 6.924 -4.198 -3.040 1.00 0.00 H new ATOM 0 HG22 VAL A 837 8.300 -3.491 -2.161 1.00 0.00 H new ATOM 0 HG23 VAL A 837 7.336 -2.481 -3.265 1.00 0.00 H new ATOM 1246 N ASN A 838 10.569 -3.037 -6.637 1.00 0.00 N ATOM 1247 CA ASN A 838 11.462 -3.418 -7.727 1.00 0.00 C ATOM 1248 C ASN A 838 12.820 -2.737 -7.579 1.00 0.00 C ATOM 1249 O ASN A 838 13.862 -3.352 -7.809 1.00 0.00 O ATOM 1250 CB ASN A 838 10.839 -3.046 -9.072 1.00 0.00 C ATOM 1251 CG ASN A 838 11.593 -3.627 -10.250 1.00 0.00 C ATOM 1252 OD1 ASN A 838 11.557 -4.836 -10.490 1.00 0.00 O ATOM 1253 ND2 ASN A 838 12.271 -2.773 -10.998 1.00 0.00 N ATOM 0 H ASN A 838 9.725 -2.548 -6.936 1.00 0.00 H new ATOM 0 HA ASN A 838 11.609 -4.497 -7.686 1.00 0.00 H new ATOM 0 HB2 ASN A 838 9.807 -3.397 -9.098 1.00 0.00 H new ATOM 0 HB3 ASN A 838 10.809 -1.960 -9.165 1.00 0.00 H new ATOM 0 HD21 ASN A 838 12.791 -3.107 -11.809 1.00 0.00 H new ATOM 0 HD22 ASN A 838 12.274 -1.780 -10.764 1.00 0.00 H new ATOM 1260 N ALA A 839 12.798 -1.470 -7.179 1.00 0.00 N ATOM 1261 CA ALA A 839 14.023 -0.707 -6.984 1.00 0.00 C ATOM 1262 C ALA A 839 14.837 -1.278 -5.827 1.00 0.00 C ATOM 1263 O ALA A 839 16.061 -1.380 -5.912 1.00 0.00 O ATOM 1264 CB ALA A 839 13.703 0.758 -6.738 1.00 0.00 C ATOM 0 H ALA A 839 11.943 -0.950 -6.983 1.00 0.00 H new ATOM 0 HA ALA A 839 14.621 -0.783 -7.892 1.00 0.00 H new ATOM 0 HB1 ALA A 839 14.630 1.314 -6.594 1.00 0.00 H new ATOM 0 HB2 ALA A 839 13.167 1.162 -7.596 1.00 0.00 H new ATOM 0 HB3 ALA A 839 13.083 0.850 -5.846 1.00 0.00 H new ATOM 1270 N ILE A 840 14.145 -1.657 -4.755 1.00 0.00 N ATOM 1271 CA ILE A 840 14.789 -2.279 -3.602 1.00 0.00 C ATOM 1272 C ILE A 840 15.449 -3.592 -4.014 1.00 0.00 C ATOM 1273 O ILE A 840 16.594 -3.868 -3.651 1.00 0.00 O ATOM 1274 CB ILE A 840 13.775 -2.535 -2.458 1.00 0.00 C ATOM 1275 CG1 ILE A 840 13.436 -1.222 -1.754 1.00 0.00 C ATOM 1276 CG2 ILE A 840 14.317 -3.548 -1.454 1.00 0.00 C ATOM 1277 CD1 ILE A 840 11.968 -1.062 -1.428 1.00 0.00 C ATOM 0 H ILE A 840 13.136 -1.544 -4.661 1.00 0.00 H new ATOM 0 HA ILE A 840 15.550 -1.591 -3.233 1.00 0.00 H new ATOM 0 HB ILE A 840 12.868 -2.950 -2.897 1.00 0.00 H new ATOM 0 HG12 ILE A 840 14.012 -1.157 -0.831 1.00 0.00 H new ATOM 0 HG13 ILE A 840 13.750 -0.391 -2.385 1.00 0.00 H new ATOM 0 HG21 ILE A 840 13.583 -3.706 -0.664 1.00 0.00 H new ATOM 0 HG22 ILE A 840 14.514 -4.493 -1.961 1.00 0.00 H new ATOM 0 HG23 ILE A 840 15.242 -3.170 -1.019 1.00 0.00 H new ATOM 0 HD11 ILE A 840 11.808 -0.106 -0.930 1.00 0.00 H new ATOM 0 HD12 ILE A 840 11.385 -1.094 -2.349 1.00 0.00 H new ATOM 0 HD13 ILE A 840 11.651 -1.871 -0.770 1.00 0.00 H new ATOM 1289 N LYS A 841 14.724 -4.385 -4.797 1.00 0.00 N ATOM 1290 CA LYS A 841 15.246 -5.650 -5.300 1.00 0.00 C ATOM 1291 C LYS A 841 16.503 -5.424 -6.134 1.00 0.00 C ATOM 1292 O LYS A 841 17.457 -6.197 -6.062 1.00 0.00 O ATOM 1293 CB LYS A 841 14.187 -6.364 -6.145 1.00 0.00 C ATOM 1294 CG LYS A 841 14.446 -7.854 -6.314 1.00 0.00 C ATOM 1295 CD LYS A 841 14.109 -8.323 -7.722 1.00 0.00 C ATOM 1296 CE LYS A 841 15.088 -7.773 -8.749 1.00 0.00 C ATOM 1297 NZ LYS A 841 15.558 -8.822 -9.692 1.00 0.00 N ATOM 0 H LYS A 841 13.772 -4.173 -5.097 1.00 0.00 H new ATOM 0 HA LYS A 841 15.502 -6.274 -4.444 1.00 0.00 H new ATOM 0 HB2 LYS A 841 13.210 -6.224 -5.683 1.00 0.00 H new ATOM 0 HB3 LYS A 841 14.144 -5.897 -7.129 1.00 0.00 H new ATOM 0 HG2 LYS A 841 15.493 -8.069 -6.099 1.00 0.00 H new ATOM 0 HG3 LYS A 841 13.851 -8.412 -5.591 1.00 0.00 H new ATOM 0 HD2 LYS A 841 14.121 -9.412 -7.755 1.00 0.00 H new ATOM 0 HD3 LYS A 841 13.098 -8.007 -7.978 1.00 0.00 H new ATOM 0 HE2 LYS A 841 14.611 -6.969 -9.310 1.00 0.00 H new ATOM 0 HE3 LYS A 841 15.945 -7.338 -8.235 1.00 0.00 H new ATOM 0 HZ1 LYS A 841 16.223 -8.403 -10.374 1.00 0.00 H new ATOM 0 HZ2 LYS A 841 16.037 -9.577 -9.161 1.00 0.00 H new ATOM 0 HZ3 LYS A 841 14.744 -9.220 -10.202 1.00 0.00 H new ATOM 1508 N LEU A 856 15.802 -6.054 3.641 1.00 0.00 N ATOM 1509 CA LEU A 856 15.350 -5.104 2.639 1.00 0.00 C ATOM 1510 C LEU A 856 14.203 -5.665 1.821 1.00 0.00 C ATOM 1511 O LEU A 856 13.157 -5.035 1.667 1.00 0.00 O ATOM 1512 CB LEU A 856 16.522 -4.794 1.716 1.00 0.00 C ATOM 1513 CG LEU A 856 17.311 -3.543 2.089 1.00 0.00 C ATOM 1514 CD1 LEU A 856 18.664 -3.539 1.397 1.00 0.00 C ATOM 1515 CD2 LEU A 856 16.524 -2.286 1.750 1.00 0.00 C ATOM 0 HA LEU A 856 14.994 -4.203 3.139 1.00 0.00 H new ATOM 0 HB2 LEU A 856 17.200 -5.647 1.712 1.00 0.00 H new ATOM 0 HB3 LEU A 856 16.146 -4.681 0.699 1.00 0.00 H new ATOM 0 HG LEU A 856 17.479 -3.553 3.166 1.00 0.00 H new ATOM 0 HD11 LEU A 856 19.212 -2.639 1.675 1.00 0.00 H new ATOM 0 HD12 LEU A 856 19.231 -4.418 1.702 1.00 0.00 H new ATOM 0 HD13 LEU A 856 18.520 -3.557 0.317 1.00 0.00 H new ATOM 0 HD21 LEU A 856 17.107 -1.407 2.025 1.00 0.00 H new ATOM 0 HD22 LEU A 856 16.317 -2.264 0.680 1.00 0.00 H new ATOM 0 HD23 LEU A 856 15.584 -2.285 2.302 1.00 0.00 H new ATOM 1527 N LEU A 857 14.407 -6.867 1.326 1.00 0.00 N ATOM 1528 CA LEU A 857 13.440 -7.518 0.470 1.00 0.00 C ATOM 1529 C LEU A 857 12.254 -8.050 1.269 1.00 0.00 C ATOM 1530 O LEU A 857 11.168 -8.248 0.726 1.00 0.00 O ATOM 1531 CB LEU A 857 14.141 -8.605 -0.330 1.00 0.00 C ATOM 1532 CG LEU A 857 15.399 -8.108 -1.054 1.00 0.00 C ATOM 1533 CD1 LEU A 857 16.458 -9.202 -1.111 1.00 0.00 C ATOM 1534 CD2 LEU A 857 15.048 -7.639 -2.454 1.00 0.00 C ATOM 0 H LEU A 857 15.246 -7.419 1.505 1.00 0.00 H new ATOM 0 HA LEU A 857 13.023 -6.792 -0.228 1.00 0.00 H new ATOM 0 HB2 LEU A 857 14.414 -9.421 0.339 1.00 0.00 H new ATOM 0 HB3 LEU A 857 13.445 -9.013 -1.063 1.00 0.00 H new ATOM 0 HG LEU A 857 15.808 -7.267 -0.494 1.00 0.00 H new ATOM 0 HD11 LEU A 857 17.341 -8.827 -1.629 1.00 0.00 H new ATOM 0 HD12 LEU A 857 16.730 -9.498 -0.098 1.00 0.00 H new ATOM 0 HD13 LEU A 857 16.062 -10.064 -1.647 1.00 0.00 H new ATOM 0 HD21 LEU A 857 15.949 -7.289 -2.957 1.00 0.00 H new ATOM 0 HD22 LEU A 857 14.616 -8.466 -3.017 1.00 0.00 H new ATOM 0 HD23 LEU A 857 14.326 -6.825 -2.395 1.00 0.00 H new ATOM 1546 N SER A 858 12.462 -8.271 2.561 1.00 0.00 N ATOM 1547 CA SER A 858 11.379 -8.679 3.442 1.00 0.00 C ATOM 1548 C SER A 858 10.449 -7.502 3.704 1.00 0.00 C ATOM 1549 O SER A 858 9.227 -7.638 3.652 1.00 0.00 O ATOM 1550 CB SER A 858 11.929 -9.220 4.760 1.00 0.00 C ATOM 1551 OG SER A 858 12.766 -10.345 4.540 1.00 0.00 O ATOM 0 H SER A 858 13.368 -8.175 3.019 1.00 0.00 H new ATOM 0 HA SER A 858 10.817 -9.475 2.953 1.00 0.00 H new ATOM 0 HB2 SER A 858 12.491 -8.439 5.271 1.00 0.00 H new ATOM 0 HB3 SER A 858 11.104 -9.499 5.415 1.00 0.00 H new ATOM 0 HG SER A 858 13.107 -10.672 5.399 1.00 0.00 H new ATOM 1557 N ALA A 859 11.038 -6.339 3.968 1.00 0.00 N ATOM 1558 CA ALA A 859 10.268 -5.120 4.168 1.00 0.00 C ATOM 1559 C ALA A 859 9.520 -4.750 2.893 1.00 0.00 C ATOM 1560 O ALA A 859 8.364 -4.328 2.935 1.00 0.00 O ATOM 1561 CB ALA A 859 11.182 -3.983 4.601 1.00 0.00 C ATOM 0 H ALA A 859 12.048 -6.217 4.048 1.00 0.00 H new ATOM 0 HA ALA A 859 9.537 -5.295 4.957 1.00 0.00 H new ATOM 0 HB1 ALA A 859 10.593 -3.078 4.747 1.00 0.00 H new ATOM 0 HB2 ALA A 859 11.676 -4.249 5.536 1.00 0.00 H new ATOM 0 HB3 ALA A 859 11.933 -3.807 3.831 1.00 0.00 H new ATOM 1567 N ALA A 860 10.187 -4.931 1.758 1.00 0.00 N ATOM 1568 CA ALA A 860 9.577 -4.683 0.459 1.00 0.00 C ATOM 1569 C ALA A 860 8.426 -5.654 0.208 1.00 0.00 C ATOM 1570 O ALA A 860 7.443 -5.312 -0.449 1.00 0.00 O ATOM 1571 CB ALA A 860 10.620 -4.792 -0.642 1.00 0.00 C ATOM 0 H ALA A 860 11.155 -5.250 1.713 1.00 0.00 H new ATOM 0 HA ALA A 860 9.173 -3.671 0.455 1.00 0.00 H new ATOM 0 HB1 ALA A 860 10.151 -4.604 -1.608 1.00 0.00 H new ATOM 0 HB2 ALA A 860 11.407 -4.057 -0.472 1.00 0.00 H new ATOM 0 HB3 ALA A 860 11.051 -5.793 -0.637 1.00 0.00 H new ATOM 1577 N LYS A 861 8.553 -6.866 0.739 1.00 0.00 N ATOM 1578 CA LYS A 861 7.498 -7.862 0.628 1.00 0.00 C ATOM 1579 C LYS A 861 6.244 -7.392 1.354 1.00 0.00 C ATOM 1580 O LYS A 861 5.131 -7.550 0.851 1.00 0.00 O ATOM 1581 CB LYS A 861 7.960 -9.205 1.197 1.00 0.00 C ATOM 1582 CG LYS A 861 7.273 -10.401 0.559 1.00 0.00 C ATOM 1583 CD LYS A 861 8.041 -10.903 -0.653 1.00 0.00 C ATOM 1584 CE LYS A 861 9.338 -11.578 -0.245 1.00 0.00 C ATOM 1585 NZ LYS A 861 9.707 -12.675 -1.175 1.00 0.00 N ATOM 0 H LYS A 861 9.378 -7.180 1.250 1.00 0.00 H new ATOM 0 HA LYS A 861 7.265 -7.994 -0.429 1.00 0.00 H new ATOM 0 HB2 LYS A 861 9.037 -9.298 1.059 1.00 0.00 H new ATOM 0 HB3 LYS A 861 7.774 -9.219 2.271 1.00 0.00 H new ATOM 0 HG2 LYS A 861 7.182 -11.203 1.291 1.00 0.00 H new ATOM 0 HG3 LYS A 861 6.261 -10.125 0.261 1.00 0.00 H new ATOM 0 HD2 LYS A 861 7.423 -11.606 -1.212 1.00 0.00 H new ATOM 0 HD3 LYS A 861 8.257 -10.069 -1.320 1.00 0.00 H new ATOM 0 HE2 LYS A 861 10.139 -10.839 -0.219 1.00 0.00 H new ATOM 0 HE3 LYS A 861 9.238 -11.976 0.765 1.00 0.00 H new ATOM 0 HZ1 LYS A 861 10.598 -13.110 -0.862 1.00 0.00 H new ATOM 0 HZ2 LYS A 861 8.954 -13.393 -1.181 1.00 0.00 H new ATOM 0 HZ3 LYS A 861 9.827 -12.291 -2.134 1.00 0.00 H new ATOM 1599 N ILE A 862 6.430 -6.800 2.531 1.00 0.00 N ATOM 1600 CA ILE A 862 5.315 -6.235 3.282 1.00 0.00 C ATOM 1601 C ILE A 862 4.668 -5.112 2.484 1.00 0.00 C ATOM 1602 O ILE A 862 3.444 -5.014 2.416 1.00 0.00 O ATOM 1603 CB ILE A 862 5.749 -5.681 4.656 1.00 0.00 C ATOM 1604 CG1 ILE A 862 6.746 -6.619 5.335 1.00 0.00 C ATOM 1605 CG2 ILE A 862 4.534 -5.470 5.549 1.00 0.00 C ATOM 1606 CD1 ILE A 862 7.532 -5.955 6.444 1.00 0.00 C ATOM 0 H ILE A 862 7.339 -6.700 2.983 1.00 0.00 H new ATOM 0 HA ILE A 862 4.606 -7.045 3.453 1.00 0.00 H new ATOM 0 HB ILE A 862 6.240 -4.721 4.494 1.00 0.00 H new ATOM 0 HG12 ILE A 862 6.209 -7.476 5.742 1.00 0.00 H new ATOM 0 HG13 ILE A 862 7.440 -7.004 4.587 1.00 0.00 H new ATOM 0 HG21 ILE A 862 4.855 -5.079 6.514 1.00 0.00 H new ATOM 0 HG22 ILE A 862 3.855 -4.759 5.078 1.00 0.00 H new ATOM 0 HG23 ILE A 862 4.020 -6.420 5.695 1.00 0.00 H new ATOM 0 HD11 ILE A 862 8.221 -6.676 6.884 1.00 0.00 H new ATOM 0 HD12 ILE A 862 8.096 -5.115 6.038 1.00 0.00 H new ATOM 0 HD13 ILE A 862 6.846 -5.595 7.211 1.00 0.00 H new ATOM 1618 N LEU A 863 5.506 -4.279 1.874 1.00 0.00 N ATOM 1619 CA LEU A 863 5.037 -3.186 1.030 1.00 0.00 C ATOM 1620 C LEU A 863 4.110 -3.712 -0.062 1.00 0.00 C ATOM 1621 O LEU A 863 2.973 -3.261 -0.198 1.00 0.00 O ATOM 1622 CB LEU A 863 6.226 -2.468 0.382 1.00 0.00 C ATOM 1623 CG LEU A 863 6.576 -1.090 0.954 1.00 0.00 C ATOM 1624 CD1 LEU A 863 5.319 -0.286 1.253 1.00 0.00 C ATOM 1625 CD2 LEU A 863 7.427 -1.240 2.204 1.00 0.00 C ATOM 0 H LEU A 863 6.521 -4.342 1.950 1.00 0.00 H new ATOM 0 HA LEU A 863 4.488 -2.484 1.658 1.00 0.00 H new ATOM 0 HB2 LEU A 863 7.103 -3.109 0.471 1.00 0.00 H new ATOM 0 HB3 LEU A 863 6.020 -2.355 -0.682 1.00 0.00 H new ATOM 0 HG LEU A 863 7.150 -0.545 0.204 1.00 0.00 H new ATOM 0 HD11 LEU A 863 5.597 0.687 1.658 1.00 0.00 H new ATOM 0 HD12 LEU A 863 4.749 -0.147 0.335 1.00 0.00 H new ATOM 0 HD13 LEU A 863 4.710 -0.821 1.981 1.00 0.00 H new ATOM 0 HD21 LEU A 863 7.669 -0.254 2.600 1.00 0.00 H new ATOM 0 HD22 LEU A 863 6.875 -1.807 2.954 1.00 0.00 H new ATOM 0 HD23 LEU A 863 8.348 -1.767 1.956 1.00 0.00 H new ATOM 1637 N ALA A 864 4.606 -4.682 -0.822 1.00 0.00 N ATOM 1638 CA ALA A 864 3.862 -5.250 -1.941 1.00 0.00 C ATOM 1639 C ALA A 864 2.583 -5.943 -1.476 1.00 0.00 C ATOM 1640 O ALA A 864 1.503 -5.701 -2.020 1.00 0.00 O ATOM 1641 CB ALA A 864 4.737 -6.226 -2.713 1.00 0.00 C ATOM 0 H ALA A 864 5.528 -5.095 -0.682 1.00 0.00 H new ATOM 0 HA ALA A 864 3.574 -4.429 -2.597 1.00 0.00 H new ATOM 0 HB1 ALA A 864 4.170 -6.643 -3.545 1.00 0.00 H new ATOM 0 HB2 ALA A 864 5.614 -5.704 -3.096 1.00 0.00 H new ATOM 0 HB3 ALA A 864 5.055 -7.032 -2.051 1.00 0.00 H new ATOM 1647 N ASP A 865 2.711 -6.791 -0.463 1.00 0.00 N ATOM 1648 CA ASP A 865 1.579 -7.569 0.036 1.00 0.00 C ATOM 1649 C ASP A 865 0.478 -6.662 0.568 1.00 0.00 C ATOM 1650 O ASP A 865 -0.704 -6.853 0.261 1.00 0.00 O ATOM 1651 CB ASP A 865 2.036 -8.531 1.133 1.00 0.00 C ATOM 1652 CG ASP A 865 1.161 -9.765 1.217 1.00 0.00 C ATOM 1653 OD1 ASP A 865 0.105 -9.709 1.884 1.00 0.00 O ATOM 1654 OD2 ASP A 865 1.525 -10.800 0.621 1.00 0.00 O ATOM 0 H ASP A 865 3.587 -6.959 0.031 1.00 0.00 H new ATOM 0 HA ASP A 865 1.176 -8.143 -0.798 1.00 0.00 H new ATOM 0 HB2 ASP A 865 3.067 -8.831 0.944 1.00 0.00 H new ATOM 0 HB3 ASP A 865 2.026 -8.015 2.093 1.00 0.00 H new ATOM 1659 N ALA A 866 0.868 -5.665 1.354 1.00 0.00 N ATOM 1660 CA ALA A 866 -0.083 -4.721 1.919 1.00 0.00 C ATOM 1661 C ALA A 866 -0.757 -3.911 0.820 1.00 0.00 C ATOM 1662 O ALA A 866 -1.946 -3.604 0.905 1.00 0.00 O ATOM 1663 CB ALA A 866 0.606 -3.801 2.913 1.00 0.00 C ATOM 0 H ALA A 866 1.839 -5.491 1.614 1.00 0.00 H new ATOM 0 HA ALA A 866 -0.852 -5.286 2.447 1.00 0.00 H new ATOM 0 HB1 ALA A 866 -0.121 -3.101 3.326 1.00 0.00 H new ATOM 0 HB2 ALA A 866 1.037 -4.394 3.720 1.00 0.00 H new ATOM 0 HB3 ALA A 866 1.397 -3.247 2.408 1.00 0.00 H new ATOM 1669 N THR A 867 0.001 -3.584 -0.219 1.00 0.00 N ATOM 1670 CA THR A 867 -0.529 -2.820 -1.338 1.00 0.00 C ATOM 1671 C THR A 867 -1.660 -3.581 -2.029 1.00 0.00 C ATOM 1672 O THR A 867 -2.681 -2.995 -2.387 1.00 0.00 O ATOM 1673 CB THR A 867 0.578 -2.480 -2.356 1.00 0.00 C ATOM 1674 OG1 THR A 867 1.561 -1.642 -1.738 1.00 0.00 O ATOM 1675 CG2 THR A 867 0.007 -1.774 -3.576 1.00 0.00 C ATOM 0 H THR A 867 0.985 -3.837 -0.309 1.00 0.00 H new ATOM 0 HA THR A 867 -0.927 -1.887 -0.939 1.00 0.00 H new ATOM 0 HB THR A 867 1.036 -3.414 -2.682 1.00 0.00 H new ATOM 0 HG1 THR A 867 1.895 -2.075 -0.924 1.00 0.00 H new ATOM 0 HG21 THR A 867 0.812 -1.547 -4.275 1.00 0.00 H new ATOM 0 HG22 THR A 867 -0.724 -2.420 -4.061 1.00 0.00 H new ATOM 0 HG23 THR A 867 -0.477 -0.847 -3.267 1.00 0.00 H new ATOM 1683 N ALA A 868 -1.488 -4.891 -2.192 1.00 0.00 N ATOM 1684 CA ALA A 868 -2.526 -5.716 -2.798 1.00 0.00 C ATOM 1685 C ALA A 868 -3.753 -5.784 -1.900 1.00 0.00 C ATOM 1686 O ALA A 868 -4.884 -5.821 -2.382 1.00 0.00 O ATOM 1687 CB ALA A 868 -2.015 -7.117 -3.082 1.00 0.00 C ATOM 0 H ALA A 868 -0.648 -5.399 -1.915 1.00 0.00 H new ATOM 0 HA ALA A 868 -2.806 -5.252 -3.744 1.00 0.00 H new ATOM 0 HB1 ALA A 868 -2.810 -7.710 -3.534 1.00 0.00 H new ATOM 0 HB2 ALA A 868 -1.169 -7.064 -3.767 1.00 0.00 H new ATOM 0 HB3 ALA A 868 -1.699 -7.585 -2.150 1.00 0.00 H new ATOM 1693 N LYS A 869 -3.525 -5.807 -0.593 1.00 0.00 N ATOM 1694 CA LYS A 869 -4.617 -5.791 0.370 1.00 0.00 C ATOM 1695 C LYS A 869 -5.383 -4.481 0.254 1.00 0.00 C ATOM 1696 O LYS A 869 -6.613 -4.460 0.282 1.00 0.00 O ATOM 1697 CB LYS A 869 -4.081 -5.959 1.795 1.00 0.00 C ATOM 1698 CG LYS A 869 -3.991 -7.407 2.245 1.00 0.00 C ATOM 1699 CD LYS A 869 -3.548 -7.515 3.695 1.00 0.00 C ATOM 1700 CE LYS A 869 -4.617 -8.167 4.557 1.00 0.00 C ATOM 1701 NZ LYS A 869 -4.107 -8.512 5.910 1.00 0.00 N ATOM 0 H LYS A 869 -2.594 -5.837 -0.176 1.00 0.00 H new ATOM 0 HA LYS A 869 -5.287 -6.623 0.153 1.00 0.00 H new ATOM 0 HB2 LYS A 869 -3.092 -5.506 1.858 1.00 0.00 H new ATOM 0 HB3 LYS A 869 -4.726 -5.413 2.483 1.00 0.00 H new ATOM 0 HG2 LYS A 869 -4.962 -7.887 2.124 1.00 0.00 H new ATOM 0 HG3 LYS A 869 -3.288 -7.944 1.608 1.00 0.00 H new ATOM 0 HD2 LYS A 869 -2.628 -8.096 3.753 1.00 0.00 H new ATOM 0 HD3 LYS A 869 -3.322 -6.522 4.083 1.00 0.00 H new ATOM 0 HE2 LYS A 869 -5.468 -7.492 4.651 1.00 0.00 H new ATOM 0 HE3 LYS A 869 -4.979 -9.070 4.065 1.00 0.00 H new ATOM 0 HZ1 LYS A 869 -4.867 -8.954 6.465 1.00 0.00 H new ATOM 0 HZ2 LYS A 869 -3.311 -9.176 5.822 1.00 0.00 H new ATOM 0 HZ3 LYS A 869 -3.785 -7.648 6.391 1.00 0.00 H new ATOM 1715 N MET A 870 -4.633 -3.398 0.100 1.00 0.00 N ATOM 1716 CA MET A 870 -5.208 -2.067 -0.038 1.00 0.00 C ATOM 1717 C MET A 870 -5.953 -1.926 -1.359 1.00 0.00 C ATOM 1718 O MET A 870 -7.107 -1.494 -1.387 1.00 0.00 O ATOM 1719 CB MET A 870 -4.110 -1.006 0.055 1.00 0.00 C ATOM 1720 CG MET A 870 -4.454 0.144 0.984 1.00 0.00 C ATOM 1721 SD MET A 870 -6.228 0.435 1.115 1.00 0.00 S ATOM 1722 CE MET A 870 -6.415 1.783 -0.039 1.00 0.00 C ATOM 0 H MET A 870 -3.614 -3.417 0.067 1.00 0.00 H new ATOM 0 HA MET A 870 -5.920 -1.921 0.775 1.00 0.00 H new ATOM 0 HB2 MET A 870 -3.189 -1.477 0.399 1.00 0.00 H new ATOM 0 HB3 MET A 870 -3.913 -0.611 -0.941 1.00 0.00 H new ATOM 0 HG2 MET A 870 -4.051 -0.064 1.975 1.00 0.00 H new ATOM 0 HG3 MET A 870 -3.968 1.051 0.626 1.00 0.00 H new ATOM 0 HE1 MET A 870 -7.432 1.788 -0.431 1.00 0.00 H new ATOM 0 HE2 MET A 870 -6.217 2.727 0.469 1.00 0.00 H new ATOM 0 HE3 MET A 870 -5.710 1.658 -0.861 1.00 0.00 H new ATOM 1732 N VAL A 871 -5.296 -2.299 -2.452 1.00 0.00 N ATOM 1733 CA VAL A 871 -5.893 -2.185 -3.774 1.00 0.00 C ATOM 1734 C VAL A 871 -7.169 -3.024 -3.865 1.00 0.00 C ATOM 1735 O VAL A 871 -8.162 -2.595 -4.449 1.00 0.00 O ATOM 1736 CB VAL A 871 -4.884 -2.570 -4.896 1.00 0.00 C ATOM 1737 CG1 VAL A 871 -5.013 -4.027 -5.325 1.00 0.00 C ATOM 1738 CG2 VAL A 871 -5.052 -1.652 -6.096 1.00 0.00 C ATOM 0 H VAL A 871 -4.351 -2.682 -2.447 1.00 0.00 H new ATOM 0 HA VAL A 871 -6.161 -1.140 -3.928 1.00 0.00 H new ATOM 0 HB VAL A 871 -3.884 -2.446 -4.480 1.00 0.00 H new ATOM 0 HG11 VAL A 871 -4.287 -4.241 -6.109 1.00 0.00 H new ATOM 0 HG12 VAL A 871 -4.826 -4.676 -4.470 1.00 0.00 H new ATOM 0 HG13 VAL A 871 -6.019 -4.207 -5.704 1.00 0.00 H new ATOM 0 HG21 VAL A 871 -4.340 -1.933 -6.872 1.00 0.00 H new ATOM 0 HG22 VAL A 871 -6.066 -1.743 -6.484 1.00 0.00 H new ATOM 0 HG23 VAL A 871 -4.870 -0.621 -5.793 1.00 0.00 H new ATOM 1748 N GLU A 872 -7.152 -4.196 -3.240 1.00 0.00 N ATOM 1749 CA GLU A 872 -8.301 -5.083 -3.256 1.00 0.00 C ATOM 1750 C GLU A 872 -9.413 -4.549 -2.354 1.00 0.00 C ATOM 1751 O GLU A 872 -10.596 -4.720 -2.646 1.00 0.00 O ATOM 1752 CB GLU A 872 -7.885 -6.494 -2.830 1.00 0.00 C ATOM 1753 CG GLU A 872 -8.293 -7.580 -3.816 1.00 0.00 C ATOM 1754 CD GLU A 872 -8.989 -7.035 -5.051 1.00 0.00 C ATOM 1755 OE1 GLU A 872 -8.298 -6.720 -6.045 1.00 0.00 O ATOM 1756 OE2 GLU A 872 -10.230 -6.929 -5.036 1.00 0.00 O ATOM 0 H GLU A 872 -6.352 -4.551 -2.716 1.00 0.00 H new ATOM 0 HA GLU A 872 -8.689 -5.128 -4.274 1.00 0.00 H new ATOM 0 HB2 GLU A 872 -6.803 -6.520 -2.702 1.00 0.00 H new ATOM 0 HB3 GLU A 872 -8.326 -6.715 -1.858 1.00 0.00 H new ATOM 0 HG2 GLU A 872 -7.407 -8.136 -4.122 1.00 0.00 H new ATOM 0 HG3 GLU A 872 -8.955 -8.286 -3.315 1.00 0.00 H new ATOM 1763 N ALA A 873 -9.031 -3.890 -1.266 1.00 0.00 N ATOM 1764 CA ALA A 873 -10.002 -3.297 -0.357 1.00 0.00 C ATOM 1765 C ALA A 873 -10.720 -2.137 -1.029 1.00 0.00 C ATOM 1766 O ALA A 873 -11.942 -2.015 -0.943 1.00 0.00 O ATOM 1767 CB ALA A 873 -9.325 -2.832 0.923 1.00 0.00 C ATOM 0 H ALA A 873 -8.058 -3.754 -0.993 1.00 0.00 H new ATOM 0 HA ALA A 873 -10.738 -4.058 -0.099 1.00 0.00 H new ATOM 0 HB1 ALA A 873 -10.068 -2.392 1.588 1.00 0.00 H new ATOM 0 HB2 ALA A 873 -8.855 -3.683 1.416 1.00 0.00 H new ATOM 0 HB3 ALA A 873 -8.566 -2.087 0.683 1.00 0.00 H new ATOM 1773 N ALA A 874 -9.953 -1.295 -1.714 1.00 0.00 N ATOM 1774 CA ALA A 874 -10.513 -0.153 -2.421 1.00 0.00 C ATOM 1775 C ALA A 874 -11.406 -0.608 -3.570 1.00 0.00 C ATOM 1776 O ALA A 874 -12.496 -0.072 -3.772 1.00 0.00 O ATOM 1777 CB ALA A 874 -9.402 0.748 -2.938 1.00 0.00 C ATOM 0 H ALA A 874 -8.940 -1.384 -1.793 1.00 0.00 H new ATOM 0 HA ALA A 874 -11.125 0.414 -1.719 1.00 0.00 H new ATOM 0 HB1 ALA A 874 -9.838 1.597 -3.464 1.00 0.00 H new ATOM 0 HB2 ALA A 874 -8.806 1.108 -2.100 1.00 0.00 H new ATOM 0 HB3 ALA A 874 -8.766 0.185 -3.621 1.00 0.00 H new ATOM 1783 N LYS A 875 -10.945 -1.610 -4.313 1.00 0.00 N ATOM 1784 CA LYS A 875 -11.707 -2.152 -5.432 1.00 0.00 C ATOM 1785 C LYS A 875 -12.987 -2.825 -4.941 1.00 0.00 C ATOM 1786 O LYS A 875 -14.030 -2.751 -5.591 1.00 0.00 O ATOM 1787 CB LYS A 875 -10.862 -3.155 -6.222 1.00 0.00 C ATOM 1788 CG LYS A 875 -10.151 -2.547 -7.423 1.00 0.00 C ATOM 1789 CD LYS A 875 -8.678 -2.926 -7.449 1.00 0.00 C ATOM 1790 CE LYS A 875 -8.364 -3.887 -8.584 1.00 0.00 C ATOM 1791 NZ LYS A 875 -8.772 -5.282 -8.266 1.00 0.00 N ATOM 0 H LYS A 875 -10.045 -2.064 -4.159 1.00 0.00 H new ATOM 0 HA LYS A 875 -11.977 -1.324 -6.087 1.00 0.00 H new ATOM 0 HB2 LYS A 875 -10.119 -3.595 -5.556 1.00 0.00 H new ATOM 0 HB3 LYS A 875 -11.504 -3.967 -6.564 1.00 0.00 H new ATOM 0 HG2 LYS A 875 -10.631 -2.885 -8.341 1.00 0.00 H new ATOM 0 HG3 LYS A 875 -10.248 -1.462 -7.394 1.00 0.00 H new ATOM 0 HD2 LYS A 875 -8.073 -2.026 -7.556 1.00 0.00 H new ATOM 0 HD3 LYS A 875 -8.403 -3.383 -6.499 1.00 0.00 H new ATOM 0 HE2 LYS A 875 -8.875 -3.558 -9.489 1.00 0.00 H new ATOM 0 HE3 LYS A 875 -7.295 -3.862 -8.794 1.00 0.00 H new ATOM 0 HZ1 LYS A 875 -8.335 -5.935 -8.947 1.00 0.00 H new ATOM 0 HZ2 LYS A 875 -8.459 -5.524 -7.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 875 -9.807 -5.363 -8.324 1.00 0.00 H new ATOM 1805 N GLY A 876 -12.901 -3.467 -3.782 1.00 0.00 N ATOM 1806 CA GLY A 876 -14.057 -4.130 -3.203 1.00 0.00 C ATOM 1807 C GLY A 876 -15.015 -3.158 -2.538 1.00 0.00 C ATOM 1808 O GLY A 876 -16.044 -3.559 -1.992 1.00 0.00 O ATOM 0 H GLY A 876 -12.047 -3.541 -3.229 1.00 0.00 H new ATOM 0 HA2 GLY A 876 -14.585 -4.679 -3.983 1.00 0.00 H new ATOM 0 HA3 GLY A 876 -13.721 -4.863 -2.469 1.00 0.00 H new