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 -172:sc= 0.876 USER MOD Set 1.2: A 867 THR OG1 : rot 66:sc= 1.26 USER MOD Set 2.1: A 811 ASN : amide:sc= 0.532 K(o=2,f=-0.82!) USER MOD Set 2.2: A 825 GLN : amide:sc= 1.49 K(o=2,f=-2.3) USER MOD Single : A 772 THR OG1 : rot 98:sc= 1.27 USER MOD Single : A 775 THR OG1 : rot 180:sc=-0.00202 USER MOD Single : A 776 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 779 ASN : amide:sc= -0.285 K(o=-0.28,f=-1.9!) USER MOD Single : A 802 THR OG1 : rot -160:sc= 0.0479 USER MOD Single : A 804 THR OG1 : rot 180:sc= 0 USER MOD Single : A 807 THR OG1 : rot 71:sc= 0.982 USER MOD Single : A 809 THR OG1 : rot 85:sc= 1.2 USER MOD Single : A 814 SER OG : rot 180:sc= 0.108 USER MOD Single : A 815 SER OG : rot -84:sc= -2.54! USER MOD Single : A 816 MET CE :methyl 147:sc= -0.425 (180deg=-0.905) USER MOD Single : A 822 MET CE :methyl 164:sc= -0.215 (180deg=-0.887) USER MOD Single : A 831 GLN : amide:sc= -0.0093 X(o=-0.0093,f=-0.18) USER MOD Single : A 834 SER OG : rot 72:sc= 1.29 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+ -164:sc= 1.18 (180deg=0.596) USER MOD Single : A 870 MET CE :methyl 161:sc= -3.16! (180deg=-4.33!) USER MOD Single : A 875 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 220 N GLY A 766 -12.117 -3.134 6.122 1.00 0.00 N ATOM 221 CA GLY A 766 -11.273 -3.599 5.042 1.00 0.00 C ATOM 222 C GLY A 766 -10.288 -2.549 4.581 1.00 0.00 C ATOM 223 O GLY A 766 -9.076 -2.730 4.710 1.00 0.00 O ATOM 0 HA2 GLY A 766 -10.728 -4.485 5.367 1.00 0.00 H new ATOM 0 HA3 GLY A 766 -11.898 -3.900 4.201 1.00 0.00 H new ATOM 227 N VAL A 767 -10.808 -1.445 4.057 1.00 0.00 N ATOM 228 CA VAL A 767 -9.966 -0.396 3.492 1.00 0.00 C ATOM 229 C VAL A 767 -9.128 0.277 4.568 1.00 0.00 C ATOM 230 O VAL A 767 -7.941 0.516 4.374 1.00 0.00 O ATOM 231 CB VAL A 767 -10.793 0.683 2.763 1.00 0.00 C ATOM 232 CG1 VAL A 767 -9.932 1.421 1.751 1.00 0.00 C ATOM 233 CG2 VAL A 767 -12.010 0.070 2.088 1.00 0.00 C ATOM 0 H VAL A 767 -11.809 -1.253 4.011 1.00 0.00 H new ATOM 0 HA VAL A 767 -9.314 -0.887 2.770 1.00 0.00 H new ATOM 0 HB VAL A 767 -11.145 1.401 3.504 1.00 0.00 H new ATOM 0 HG11 VAL A 767 -10.532 2.178 1.246 1.00 0.00 H new ATOM 0 HG12 VAL A 767 -9.098 1.901 2.264 1.00 0.00 H new ATOM 0 HG13 VAL A 767 -9.547 0.714 1.016 1.00 0.00 H new ATOM 0 HG21 VAL A 767 -12.577 0.851 1.581 1.00 0.00 H new ATOM 0 HG22 VAL A 767 -11.686 -0.674 1.360 1.00 0.00 H new ATOM 0 HG23 VAL A 767 -12.641 -0.407 2.838 1.00 0.00 H new ATOM 243 N GLY A 768 -9.752 0.573 5.701 1.00 0.00 N ATOM 244 CA GLY A 768 -9.053 1.242 6.784 1.00 0.00 C ATOM 245 C GLY A 768 -7.839 0.469 7.262 1.00 0.00 C ATOM 246 O GLY A 768 -6.750 1.030 7.396 1.00 0.00 O ATOM 0 H GLY A 768 -10.732 0.362 5.891 1.00 0.00 H new ATOM 0 HA2 GLY A 768 -8.741 2.232 6.453 1.00 0.00 H new ATOM 0 HA3 GLY A 768 -9.739 1.387 7.619 1.00 0.00 H new ATOM 250 N ALA A 769 -8.019 -0.825 7.498 1.00 0.00 N ATOM 251 CA ALA A 769 -6.931 -1.670 7.973 1.00 0.00 C ATOM 252 C ALA A 769 -5.856 -1.832 6.904 1.00 0.00 C ATOM 253 O ALA A 769 -4.659 -1.803 7.204 1.00 0.00 O ATOM 254 CB ALA A 769 -7.462 -3.028 8.401 1.00 0.00 C ATOM 0 H ALA A 769 -8.906 -1.311 7.368 1.00 0.00 H new ATOM 0 HA ALA A 769 -6.478 -1.183 8.837 1.00 0.00 H new ATOM 0 HB1 ALA A 769 -6.637 -3.647 8.753 1.00 0.00 H new ATOM 0 HB2 ALA A 769 -8.187 -2.898 9.205 1.00 0.00 H new ATOM 0 HB3 ALA A 769 -7.944 -3.514 7.553 1.00 0.00 H new ATOM 260 N ALA A 770 -6.287 -1.985 5.657 1.00 0.00 N ATOM 261 CA ALA A 770 -5.368 -2.164 4.540 1.00 0.00 C ATOM 262 C ALA A 770 -4.562 -0.896 4.279 1.00 0.00 C ATOM 263 O ALA A 770 -3.347 -0.950 4.088 1.00 0.00 O ATOM 264 CB ALA A 770 -6.132 -2.578 3.290 1.00 0.00 C ATOM 0 H ALA A 770 -7.272 -1.989 5.394 1.00 0.00 H new ATOM 0 HA ALA A 770 -4.667 -2.956 4.802 1.00 0.00 H new ATOM 0 HB1 ALA A 770 -5.434 -2.708 2.463 1.00 0.00 H new ATOM 0 HB2 ALA A 770 -6.653 -3.517 3.476 1.00 0.00 H new ATOM 0 HB3 ALA A 770 -6.857 -1.805 3.034 1.00 0.00 H new ATOM 270 N ALA A 771 -5.243 0.243 4.282 1.00 0.00 N ATOM 271 CA ALA A 771 -4.594 1.527 4.050 1.00 0.00 C ATOM 272 C ALA A 771 -3.548 1.806 5.122 1.00 0.00 C ATOM 273 O ALA A 771 -2.408 2.163 4.817 1.00 0.00 O ATOM 274 CB ALA A 771 -5.629 2.641 4.009 1.00 0.00 C ATOM 0 H ALA A 771 -6.248 0.303 4.443 1.00 0.00 H new ATOM 0 HA ALA A 771 -4.087 1.487 3.086 1.00 0.00 H new ATOM 0 HB1 ALA A 771 -5.130 3.595 3.835 1.00 0.00 H new ATOM 0 HB2 ALA A 771 -6.338 2.450 3.203 1.00 0.00 H new ATOM 0 HB3 ALA A 771 -6.162 2.678 4.959 1.00 0.00 H new ATOM 280 N THR A 772 -3.939 1.621 6.380 1.00 0.00 N ATOM 281 CA THR A 772 -3.036 1.834 7.503 1.00 0.00 C ATOM 282 C THR A 772 -1.867 0.849 7.461 1.00 0.00 C ATOM 283 O THR A 772 -0.750 1.181 7.865 1.00 0.00 O ATOM 284 CB THR A 772 -3.786 1.708 8.841 1.00 0.00 C ATOM 285 OG1 THR A 772 -4.991 2.485 8.788 1.00 0.00 O ATOM 286 CG2 THR A 772 -2.927 2.183 10.003 1.00 0.00 C ATOM 0 H THR A 772 -4.878 1.323 6.646 1.00 0.00 H new ATOM 0 HA THR A 772 -2.638 2.846 7.421 1.00 0.00 H new ATOM 0 HB THR A 772 -4.024 0.657 9.001 1.00 0.00 H new ATOM 0 HG1 THR A 772 -5.747 1.902 8.565 1.00 0.00 H new ATOM 0 HG21 THR A 772 -3.485 2.081 10.934 1.00 0.00 H new ATOM 0 HG22 THR A 772 -2.021 1.580 10.056 1.00 0.00 H new ATOM 0 HG23 THR A 772 -2.659 3.229 9.853 1.00 0.00 H new ATOM 294 N ALA A 773 -2.123 -0.352 6.947 1.00 0.00 N ATOM 295 CA ALA A 773 -1.077 -1.356 6.799 1.00 0.00 C ATOM 296 C ALA A 773 0.024 -0.846 5.879 1.00 0.00 C ATOM 297 O ALA A 773 1.207 -0.980 6.183 1.00 0.00 O ATOM 298 CB ALA A 773 -1.655 -2.658 6.267 1.00 0.00 C ATOM 0 H ALA A 773 -3.044 -0.651 6.627 1.00 0.00 H new ATOM 0 HA ALA A 773 -0.645 -1.549 7.781 1.00 0.00 H new ATOM 0 HB1 ALA A 773 -0.858 -3.394 6.164 1.00 0.00 H new ATOM 0 HB2 ALA A 773 -2.407 -3.033 6.961 1.00 0.00 H new ATOM 0 HB3 ALA A 773 -2.114 -2.482 5.294 1.00 0.00 H new ATOM 304 N VAL A 774 -0.375 -0.240 4.765 1.00 0.00 N ATOM 305 CA VAL A 774 0.577 0.333 3.823 1.00 0.00 C ATOM 306 C VAL A 774 1.346 1.478 4.473 1.00 0.00 C ATOM 307 O VAL A 774 2.558 1.601 4.301 1.00 0.00 O ATOM 308 CB VAL A 774 -0.122 0.844 2.543 1.00 0.00 C ATOM 309 CG1 VAL A 774 0.893 1.381 1.544 1.00 0.00 C ATOM 310 CG2 VAL A 774 -0.948 -0.263 1.915 1.00 0.00 C ATOM 0 H VAL A 774 -1.352 -0.134 4.493 1.00 0.00 H new ATOM 0 HA VAL A 774 1.270 -0.460 3.541 1.00 0.00 H new ATOM 0 HB VAL A 774 -0.786 1.662 2.823 1.00 0.00 H new ATOM 0 HG11 VAL A 774 0.374 1.734 0.653 1.00 0.00 H new ATOM 0 HG12 VAL A 774 1.445 2.207 1.994 1.00 0.00 H new ATOM 0 HG13 VAL A 774 1.588 0.587 1.269 1.00 0.00 H new ATOM 0 HG21 VAL A 774 -1.434 0.112 1.014 1.00 0.00 H new ATOM 0 HG22 VAL A 774 -0.299 -1.099 1.655 1.00 0.00 H new ATOM 0 HG23 VAL A 774 -1.705 -0.598 2.623 1.00 0.00 H new ATOM 320 N THR A 775 0.636 2.300 5.243 1.00 0.00 N ATOM 321 CA THR A 775 1.258 3.417 5.942 1.00 0.00 C ATOM 322 C THR A 775 2.349 2.918 6.889 1.00 0.00 C ATOM 323 O THR A 775 3.477 3.416 6.876 1.00 0.00 O ATOM 324 CB THR A 775 0.222 4.230 6.746 1.00 0.00 C ATOM 325 OG1 THR A 775 -1.041 4.241 6.064 1.00 0.00 O ATOM 326 CG2 THR A 775 0.701 5.659 6.955 1.00 0.00 C ATOM 0 H THR A 775 -0.368 2.212 5.397 1.00 0.00 H new ATOM 0 HA THR A 775 1.699 4.066 5.185 1.00 0.00 H new ATOM 0 HB THR A 775 0.101 3.754 7.719 1.00 0.00 H new ATOM 0 HG1 THR A 775 -1.690 4.758 6.585 1.00 0.00 H new ATOM 0 HG21 THR A 775 -0.045 6.213 7.524 1.00 0.00 H new ATOM 0 HG22 THR A 775 1.643 5.650 7.503 1.00 0.00 H new ATOM 0 HG23 THR A 775 0.849 6.138 5.987 1.00 0.00 H new ATOM 334 N GLN A 776 2.009 1.914 7.688 1.00 0.00 N ATOM 335 CA GLN A 776 2.945 1.345 8.645 1.00 0.00 C ATOM 336 C GLN A 776 4.083 0.617 7.932 1.00 0.00 C ATOM 337 O GLN A 776 5.242 0.749 8.316 1.00 0.00 O ATOM 338 CB GLN A 776 2.218 0.391 9.597 1.00 0.00 C ATOM 339 CG GLN A 776 2.061 0.947 11.004 1.00 0.00 C ATOM 340 CD GLN A 776 0.889 0.340 11.754 1.00 0.00 C ATOM 341 OE1 GLN A 776 -0.139 0.990 11.960 1.00 0.00 O ATOM 342 NE2 GLN A 776 1.038 -0.902 12.181 1.00 0.00 N ATOM 0 H GLN A 776 1.088 1.477 7.691 1.00 0.00 H new ATOM 0 HA GLN A 776 3.375 2.162 9.225 1.00 0.00 H new ATOM 0 HB2 GLN A 776 1.232 0.166 9.191 1.00 0.00 H new ATOM 0 HB3 GLN A 776 2.766 -0.550 9.645 1.00 0.00 H new ATOM 0 HG2 GLN A 776 2.978 0.765 11.565 1.00 0.00 H new ATOM 0 HG3 GLN A 776 1.930 2.028 10.949 1.00 0.00 H new ATOM 0 HE21 GLN A 776 1.904 -1.406 11.990 1.00 0.00 H new ATOM 0 HE22 GLN A 776 0.287 -1.356 12.701 1.00 0.00 H new ATOM 351 N ALA A 777 3.744 -0.133 6.886 1.00 0.00 N ATOM 352 CA ALA A 777 4.731 -0.906 6.132 1.00 0.00 C ATOM 353 C ALA A 777 5.759 -0.001 5.462 1.00 0.00 C ATOM 354 O ALA A 777 6.952 -0.308 5.449 1.00 0.00 O ATOM 355 CB ALA A 777 4.041 -1.778 5.092 1.00 0.00 C ATOM 0 H ALA A 777 2.789 -0.223 6.539 1.00 0.00 H new ATOM 0 HA ALA A 777 5.259 -1.546 6.839 1.00 0.00 H new ATOM 0 HB1 ALA A 777 4.789 -2.347 4.540 1.00 0.00 H new ATOM 0 HB2 ALA A 777 3.357 -2.466 5.590 1.00 0.00 H new ATOM 0 HB3 ALA A 777 3.482 -1.147 4.401 1.00 0.00 H new ATOM 361 N LEU A 778 5.296 1.112 4.906 1.00 0.00 N ATOM 362 CA LEU A 778 6.190 2.066 4.265 1.00 0.00 C ATOM 363 C LEU A 778 7.138 2.674 5.288 1.00 0.00 C ATOM 364 O LEU A 778 8.343 2.771 5.051 1.00 0.00 O ATOM 365 CB LEU A 778 5.397 3.172 3.570 1.00 0.00 C ATOM 366 CG LEU A 778 6.225 4.070 2.650 1.00 0.00 C ATOM 367 CD1 LEU A 778 5.936 3.751 1.195 1.00 0.00 C ATOM 368 CD2 LEU A 778 5.952 5.534 2.945 1.00 0.00 C ATOM 0 H LEU A 778 4.311 1.375 4.886 1.00 0.00 H new ATOM 0 HA LEU A 778 6.772 1.532 3.514 1.00 0.00 H new ATOM 0 HB2 LEU A 778 4.598 2.715 2.986 1.00 0.00 H new ATOM 0 HB3 LEU A 778 4.922 3.793 4.330 1.00 0.00 H new ATOM 0 HG LEU A 778 7.281 3.877 2.839 1.00 0.00 H new ATOM 0 HD11 LEU A 778 6.534 4.400 0.555 1.00 0.00 H new ATOM 0 HD12 LEU A 778 6.188 2.710 0.994 1.00 0.00 H new ATOM 0 HD13 LEU A 778 4.878 3.914 0.990 1.00 0.00 H new ATOM 0 HD21 LEU A 778 6.550 6.157 2.280 1.00 0.00 H new ATOM 0 HD22 LEU A 778 4.895 5.746 2.787 1.00 0.00 H new ATOM 0 HD23 LEU A 778 6.215 5.752 3.980 1.00 0.00 H new ATOM 380 N ASN A 779 6.587 3.069 6.430 1.00 0.00 N ATOM 381 CA ASN A 779 7.387 3.628 7.513 1.00 0.00 C ATOM 382 C ASN A 779 8.368 2.583 8.036 1.00 0.00 C ATOM 383 O ASN A 779 9.479 2.910 8.458 1.00 0.00 O ATOM 384 CB ASN A 779 6.492 4.112 8.652 1.00 0.00 C ATOM 385 CG ASN A 779 6.289 5.614 8.632 1.00 0.00 C ATOM 386 OD1 ASN A 779 7.128 6.363 8.126 1.00 0.00 O ATOM 387 ND2 ASN A 779 5.178 6.065 9.190 1.00 0.00 N ATOM 0 H ASN A 779 5.588 3.012 6.630 1.00 0.00 H new ATOM 0 HA ASN A 779 7.944 4.479 7.121 1.00 0.00 H new ATOM 0 HB2 ASN A 779 5.523 3.617 8.584 1.00 0.00 H new ATOM 0 HB3 ASN A 779 6.933 3.821 9.605 1.00 0.00 H new ATOM 0 HD21 ASN A 779 4.989 7.067 9.213 1.00 0.00 H new ATOM 0 HD22 ASN A 779 4.510 5.411 9.597 1.00 0.00 H new ATOM 394 N GLU A 780 7.939 1.324 8.009 1.00 0.00 N ATOM 395 CA GLU A 780 8.793 0.204 8.379 1.00 0.00 C ATOM 396 C GLU A 780 10.021 0.170 7.486 1.00 0.00 C ATOM 397 O GLU A 780 11.154 0.146 7.965 1.00 0.00 O ATOM 398 CB GLU A 780 8.034 -1.115 8.233 1.00 0.00 C ATOM 399 CG GLU A 780 7.134 -1.436 9.410 1.00 0.00 C ATOM 400 CD GLU A 780 7.915 -1.913 10.610 1.00 0.00 C ATOM 401 OE1 GLU A 780 8.148 -3.133 10.719 1.00 0.00 O ATOM 402 OE2 GLU A 780 8.300 -1.068 11.447 1.00 0.00 O ATOM 0 H GLU A 780 6.995 1.055 7.732 1.00 0.00 H new ATOM 0 HA GLU A 780 9.097 0.333 9.418 1.00 0.00 H new ATOM 0 HB2 GLU A 780 7.431 -1.078 7.326 1.00 0.00 H new ATOM 0 HB3 GLU A 780 8.752 -1.925 8.105 1.00 0.00 H new ATOM 0 HG2 GLU A 780 6.562 -0.549 9.680 1.00 0.00 H new ATOM 0 HG3 GLU A 780 6.416 -2.202 9.118 1.00 0.00 H new ATOM 409 N LEU A 781 9.777 0.181 6.186 1.00 0.00 N ATOM 410 CA LEU A 781 10.841 0.115 5.202 1.00 0.00 C ATOM 411 C LEU A 781 11.748 1.336 5.290 1.00 0.00 C ATOM 412 O LEU A 781 12.967 1.203 5.312 1.00 0.00 O ATOM 413 CB LEU A 781 10.252 0.004 3.798 1.00 0.00 C ATOM 414 CG LEU A 781 11.270 0.070 2.663 1.00 0.00 C ATOM 415 CD1 LEU A 781 11.494 -1.310 2.070 1.00 0.00 C ATOM 416 CD2 LEU A 781 10.810 1.050 1.596 1.00 0.00 C ATOM 0 H LEU A 781 8.840 0.236 5.786 1.00 0.00 H new ATOM 0 HA LEU A 781 11.440 -0.771 5.412 1.00 0.00 H new ATOM 0 HB2 LEU A 781 9.707 -0.937 3.723 1.00 0.00 H new ATOM 0 HB3 LEU A 781 9.525 0.805 3.661 1.00 0.00 H new ATOM 0 HG LEU A 781 12.219 0.425 3.065 1.00 0.00 H new ATOM 0 HD11 LEU A 781 12.223 -1.245 1.262 1.00 0.00 H new ATOM 0 HD12 LEU A 781 11.868 -1.982 2.843 1.00 0.00 H new ATOM 0 HD13 LEU A 781 10.552 -1.695 1.679 1.00 0.00 H new ATOM 0 HD21 LEU A 781 11.546 1.086 0.793 1.00 0.00 H new ATOM 0 HD22 LEU A 781 9.850 0.726 1.194 1.00 0.00 H new ATOM 0 HD23 LEU A 781 10.703 2.042 2.035 1.00 0.00 H new ATOM 428 N LEU A 782 11.142 2.518 5.359 1.00 0.00 N ATOM 429 CA LEU A 782 11.888 3.775 5.374 1.00 0.00 C ATOM 430 C LEU A 782 12.913 3.810 6.505 1.00 0.00 C ATOM 431 O LEU A 782 14.112 3.965 6.262 1.00 0.00 O ATOM 432 CB LEU A 782 10.927 4.959 5.505 1.00 0.00 C ATOM 433 CG LEU A 782 10.642 5.712 4.203 1.00 0.00 C ATOM 434 CD1 LEU A 782 9.579 6.776 4.428 1.00 0.00 C ATOM 435 CD2 LEU A 782 11.917 6.336 3.656 1.00 0.00 C ATOM 0 H LEU A 782 10.130 2.633 5.406 1.00 0.00 H new ATOM 0 HA LEU A 782 12.428 3.848 4.430 1.00 0.00 H new ATOM 0 HB2 LEU A 782 9.983 4.597 5.911 1.00 0.00 H new ATOM 0 HB3 LEU A 782 11.338 5.662 6.230 1.00 0.00 H new ATOM 0 HG LEU A 782 10.267 5.000 3.467 1.00 0.00 H new ATOM 0 HD11 LEU A 782 9.388 7.303 3.493 1.00 0.00 H new ATOM 0 HD12 LEU A 782 8.659 6.304 4.774 1.00 0.00 H new ATOM 0 HD13 LEU A 782 9.927 7.485 5.179 1.00 0.00 H new ATOM 0 HD21 LEU A 782 11.694 6.867 2.730 1.00 0.00 H new ATOM 0 HD22 LEU A 782 12.322 7.036 4.387 1.00 0.00 H new ATOM 0 HD23 LEU A 782 12.649 5.553 3.458 1.00 0.00 H new ATOM 701 N ALA A 801 9.448 8.239 -4.103 1.00 0.00 N ATOM 702 CA ALA A 801 8.568 7.094 -4.298 1.00 0.00 C ATOM 703 C ALA A 801 7.761 6.798 -3.040 1.00 0.00 C ATOM 704 O ALA A 801 6.544 6.606 -3.106 1.00 0.00 O ATOM 705 CB ALA A 801 9.374 5.872 -4.715 1.00 0.00 C ATOM 0 HA ALA A 801 7.866 7.340 -5.095 1.00 0.00 H new ATOM 0 HB1 ALA A 801 8.703 5.025 -4.857 1.00 0.00 H new ATOM 0 HB2 ALA A 801 9.896 6.082 -5.649 1.00 0.00 H new ATOM 0 HB3 ALA A 801 10.101 5.633 -3.939 1.00 0.00 H new ATOM 711 N THR A 802 8.435 6.770 -1.892 1.00 0.00 N ATOM 712 CA THR A 802 7.765 6.528 -0.623 1.00 0.00 C ATOM 713 C THR A 802 6.746 7.626 -0.353 1.00 0.00 C ATOM 714 O THR A 802 5.656 7.374 0.166 1.00 0.00 O ATOM 715 CB THR A 802 8.771 6.465 0.544 1.00 0.00 C ATOM 716 OG1 THR A 802 9.854 7.374 0.311 1.00 0.00 O ATOM 717 CG2 THR A 802 9.322 5.056 0.706 1.00 0.00 C ATOM 0 H THR A 802 9.442 6.912 -1.818 1.00 0.00 H new ATOM 0 HA THR A 802 7.261 5.564 -0.694 1.00 0.00 H new ATOM 0 HB THR A 802 8.248 6.747 1.458 1.00 0.00 H new ATOM 0 HG1 THR A 802 10.623 7.115 0.861 1.00 0.00 H new ATOM 0 HG21 THR A 802 10.030 5.035 1.535 1.00 0.00 H new ATOM 0 HG22 THR A 802 8.503 4.366 0.910 1.00 0.00 H new ATOM 0 HG23 THR A 802 9.829 4.756 -0.211 1.00 0.00 H new ATOM 725 N ASP A 803 7.112 8.841 -0.736 1.00 0.00 N ATOM 726 CA ASP A 803 6.234 9.992 -0.602 1.00 0.00 C ATOM 727 C ASP A 803 4.968 9.803 -1.432 1.00 0.00 C ATOM 728 O ASP A 803 3.862 10.016 -0.939 1.00 0.00 O ATOM 729 CB ASP A 803 6.961 11.262 -1.041 1.00 0.00 C ATOM 730 CG ASP A 803 6.071 12.485 -1.004 1.00 0.00 C ATOM 731 OD1 ASP A 803 5.501 12.791 0.064 1.00 0.00 O ATOM 732 OD2 ASP A 803 5.949 13.159 -2.047 1.00 0.00 O ATOM 0 H ASP A 803 8.021 9.055 -1.146 1.00 0.00 H new ATOM 0 HA ASP A 803 5.950 10.088 0.446 1.00 0.00 H new ATOM 0 HB2 ASP A 803 7.823 11.425 -0.394 1.00 0.00 H new ATOM 0 HB3 ASP A 803 7.343 11.126 -2.053 1.00 0.00 H new ATOM 737 N THR A 804 5.134 9.361 -2.679 1.00 0.00 N ATOM 738 CA THR A 804 4.004 9.161 -3.582 1.00 0.00 C ATOM 739 C THR A 804 3.014 8.155 -3.004 1.00 0.00 C ATOM 740 O THR A 804 1.806 8.393 -3.006 1.00 0.00 O ATOM 741 CB THR A 804 4.469 8.671 -4.970 1.00 0.00 C ATOM 742 OG1 THR A 804 5.559 9.474 -5.437 1.00 0.00 O ATOM 743 CG2 THR A 804 3.331 8.728 -5.981 1.00 0.00 C ATOM 0 H THR A 804 6.042 9.135 -3.086 1.00 0.00 H new ATOM 0 HA THR A 804 3.514 10.128 -3.695 1.00 0.00 H new ATOM 0 HB THR A 804 4.794 7.636 -4.868 1.00 0.00 H new ATOM 0 HG1 THR A 804 5.848 9.154 -6.317 1.00 0.00 H new ATOM 0 HG21 THR A 804 3.687 8.377 -6.950 1.00 0.00 H new ATOM 0 HG22 THR A 804 2.512 8.093 -5.643 1.00 0.00 H new ATOM 0 HG23 THR A 804 2.978 9.755 -6.074 1.00 0.00 H new ATOM 751 N ILE A 805 3.530 7.043 -2.491 1.00 0.00 N ATOM 752 CA ILE A 805 2.683 6.033 -1.872 1.00 0.00 C ATOM 753 C ILE A 805 1.940 6.625 -0.684 1.00 0.00 C ATOM 754 O ILE A 805 0.725 6.469 -0.564 1.00 0.00 O ATOM 755 CB ILE A 805 3.500 4.803 -1.413 1.00 0.00 C ATOM 756 CG1 ILE A 805 3.782 3.895 -2.602 1.00 0.00 C ATOM 757 CG2 ILE A 805 2.772 4.027 -0.321 1.00 0.00 C ATOM 758 CD1 ILE A 805 5.252 3.697 -2.856 1.00 0.00 C ATOM 0 H ILE A 805 4.525 6.820 -2.492 1.00 0.00 H new ATOM 0 HA ILE A 805 1.967 5.702 -2.624 1.00 0.00 H new ATOM 0 HB ILE A 805 4.443 5.159 -0.998 1.00 0.00 H new ATOM 0 HG12 ILE A 805 3.315 2.925 -2.430 1.00 0.00 H new ATOM 0 HG13 ILE A 805 3.319 4.318 -3.493 1.00 0.00 H new ATOM 0 HG21 ILE A 805 3.374 3.169 -0.021 1.00 0.00 H new ATOM 0 HG22 ILE A 805 2.611 4.675 0.540 1.00 0.00 H new ATOM 0 HG23 ILE A 805 1.810 3.681 -0.700 1.00 0.00 H new ATOM 0 HD11 ILE A 805 5.388 3.041 -3.716 1.00 0.00 H new ATOM 0 HD12 ILE A 805 5.719 4.661 -3.058 1.00 0.00 H new ATOM 0 HD13 ILE A 805 5.715 3.246 -1.979 1.00 0.00 H new ATOM 770 N LEU A 806 2.670 7.319 0.182 1.00 0.00 N ATOM 771 CA LEU A 806 2.063 7.937 1.353 1.00 0.00 C ATOM 772 C LEU A 806 0.965 8.908 0.946 1.00 0.00 C ATOM 773 O LEU A 806 -0.122 8.873 1.510 1.00 0.00 O ATOM 774 CB LEU A 806 3.102 8.654 2.210 1.00 0.00 C ATOM 775 CG LEU A 806 3.526 7.899 3.473 1.00 0.00 C ATOM 776 CD1 LEU A 806 4.391 8.774 4.363 1.00 0.00 C ATOM 777 CD2 LEU A 806 2.305 7.409 4.238 1.00 0.00 C ATOM 0 H LEU A 806 3.676 7.467 0.096 1.00 0.00 H new ATOM 0 HA LEU A 806 1.623 7.137 1.949 1.00 0.00 H new ATOM 0 HB2 LEU A 806 3.987 8.842 1.602 1.00 0.00 H new ATOM 0 HB3 LEU A 806 2.704 9.626 2.501 1.00 0.00 H new ATOM 0 HG LEU A 806 4.115 7.034 3.168 1.00 0.00 H new ATOM 0 HD11 LEU A 806 4.679 8.215 5.253 1.00 0.00 H new ATOM 0 HD12 LEU A 806 5.286 9.075 3.818 1.00 0.00 H new ATOM 0 HD13 LEU A 806 3.830 9.661 4.657 1.00 0.00 H new ATOM 0 HD21 LEU A 806 2.626 6.875 5.132 1.00 0.00 H new ATOM 0 HD22 LEU A 806 1.690 8.261 4.526 1.00 0.00 H new ATOM 0 HD23 LEU A 806 1.723 6.739 3.605 1.00 0.00 H new ATOM 789 N THR A 807 1.243 9.755 -0.042 1.00 0.00 N ATOM 790 CA THR A 807 0.242 10.691 -0.542 1.00 0.00 C ATOM 791 C THR A 807 -0.997 9.946 -1.037 1.00 0.00 C ATOM 792 O THR A 807 -2.119 10.282 -0.669 1.00 0.00 O ATOM 793 CB THR A 807 0.791 11.557 -1.695 1.00 0.00 C ATOM 794 OG1 THR A 807 2.088 12.067 -1.364 1.00 0.00 O ATOM 795 CG2 THR A 807 -0.147 12.715 -1.997 1.00 0.00 C ATOM 0 H THR A 807 2.148 9.812 -0.509 1.00 0.00 H new ATOM 0 HA THR A 807 -0.023 11.341 0.292 1.00 0.00 H new ATOM 0 HB THR A 807 0.867 10.925 -2.580 1.00 0.00 H new ATOM 0 HG1 THR A 807 2.739 11.335 -1.371 1.00 0.00 H new ATOM 0 HG21 THR A 807 0.262 13.311 -2.813 1.00 0.00 H new ATOM 0 HG22 THR A 807 -1.124 12.326 -2.285 1.00 0.00 H new ATOM 0 HG23 THR A 807 -0.252 13.339 -1.110 1.00 0.00 H new ATOM 803 N VAL A 808 -0.779 8.918 -1.847 1.00 0.00 N ATOM 804 CA VAL A 808 -1.872 8.147 -2.425 1.00 0.00 C ATOM 805 C VAL A 808 -2.704 7.459 -1.341 1.00 0.00 C ATOM 806 O VAL A 808 -3.920 7.628 -1.285 1.00 0.00 O ATOM 807 CB VAL A 808 -1.341 7.097 -3.423 1.00 0.00 C ATOM 808 CG1 VAL A 808 -2.379 6.021 -3.694 1.00 0.00 C ATOM 809 CG2 VAL A 808 -0.915 7.767 -4.720 1.00 0.00 C ATOM 0 H VAL A 808 0.150 8.598 -2.120 1.00 0.00 H new ATOM 0 HA VAL A 808 -2.514 8.848 -2.959 1.00 0.00 H new ATOM 0 HB VAL A 808 -0.471 6.616 -2.975 1.00 0.00 H new ATOM 0 HG11 VAL A 808 -1.975 5.296 -4.401 1.00 0.00 H new ATOM 0 HG12 VAL A 808 -2.632 5.517 -2.761 1.00 0.00 H new ATOM 0 HG13 VAL A 808 -3.275 6.478 -4.114 1.00 0.00 H new ATOM 0 HG21 VAL A 808 -0.543 7.013 -5.414 1.00 0.00 H new ATOM 0 HG22 VAL A 808 -1.770 8.278 -5.163 1.00 0.00 H new ATOM 0 HG23 VAL A 808 -0.127 8.491 -4.514 1.00 0.00 H new ATOM 819 N THR A 809 -2.043 6.697 -0.474 1.00 0.00 N ATOM 820 CA THR A 809 -2.736 5.986 0.596 1.00 0.00 C ATOM 821 C THR A 809 -3.442 6.965 1.531 1.00 0.00 C ATOM 822 O THR A 809 -4.548 6.703 2.004 1.00 0.00 O ATOM 823 CB THR A 809 -1.771 5.104 1.410 1.00 0.00 C ATOM 824 OG1 THR A 809 -0.735 4.594 0.561 1.00 0.00 O ATOM 825 CG2 THR A 809 -2.514 3.941 2.047 1.00 0.00 C ATOM 0 H THR A 809 -1.033 6.556 -0.491 1.00 0.00 H new ATOM 0 HA THR A 809 -3.477 5.342 0.123 1.00 0.00 H new ATOM 0 HB THR A 809 -1.331 5.718 2.196 1.00 0.00 H new ATOM 0 HG1 THR A 809 -0.012 5.252 0.496 1.00 0.00 H new ATOM 0 HG21 THR A 809 -1.814 3.331 2.617 1.00 0.00 H new ATOM 0 HG22 THR A 809 -3.287 4.324 2.713 1.00 0.00 H new ATOM 0 HG23 THR A 809 -2.974 3.333 1.268 1.00 0.00 H new ATOM 833 N GLU A 810 -2.802 8.102 1.770 1.00 0.00 N ATOM 834 CA GLU A 810 -3.368 9.142 2.611 1.00 0.00 C ATOM 835 C GLU A 810 -4.580 9.778 1.925 1.00 0.00 C ATOM 836 O GLU A 810 -5.555 10.148 2.580 1.00 0.00 O ATOM 837 CB GLU A 810 -2.292 10.187 2.930 1.00 0.00 C ATOM 838 CG GLU A 810 -2.774 11.341 3.789 1.00 0.00 C ATOM 839 CD GLU A 810 -1.706 11.814 4.749 1.00 0.00 C ATOM 840 OE1 GLU A 810 -1.134 10.971 5.472 1.00 0.00 O ATOM 841 OE2 GLU A 810 -1.417 13.024 4.776 1.00 0.00 O ATOM 0 H GLU A 810 -1.883 8.326 1.388 1.00 0.00 H new ATOM 0 HA GLU A 810 -3.711 8.706 3.549 1.00 0.00 H new ATOM 0 HB2 GLU A 810 -1.463 9.694 3.438 1.00 0.00 H new ATOM 0 HB3 GLU A 810 -1.901 10.585 1.994 1.00 0.00 H new ATOM 0 HG2 GLU A 810 -3.078 12.168 3.148 1.00 0.00 H new ATOM 0 HG3 GLU A 810 -3.656 11.032 4.350 1.00 0.00 H new ATOM 848 N ASN A 811 -4.522 9.867 0.597 1.00 0.00 N ATOM 849 CA ASN A 811 -5.627 10.407 -0.196 1.00 0.00 C ATOM 850 C ASN A 811 -6.863 9.529 -0.067 1.00 0.00 C ATOM 851 O ASN A 811 -7.988 10.014 -0.148 1.00 0.00 O ATOM 852 CB ASN A 811 -5.249 10.503 -1.679 1.00 0.00 C ATOM 853 CG ASN A 811 -4.465 11.755 -2.023 1.00 0.00 C ATOM 854 OD1 ASN A 811 -4.424 12.718 -1.253 1.00 0.00 O ATOM 855 ND2 ASN A 811 -3.840 11.748 -3.193 1.00 0.00 N ATOM 0 H ASN A 811 -3.717 9.571 0.045 1.00 0.00 H new ATOM 0 HA ASN A 811 -5.841 11.404 0.188 1.00 0.00 H new ATOM 0 HB2 ASN A 811 -4.660 9.628 -1.953 1.00 0.00 H new ATOM 0 HB3 ASN A 811 -6.158 10.476 -2.280 1.00 0.00 H new ATOM 0 HD21 ASN A 811 -3.299 12.561 -3.487 1.00 0.00 H new ATOM 0 HD22 ASN A 811 -3.901 10.930 -3.799 1.00 0.00 H new ATOM 862 N ILE A 812 -6.652 8.233 0.125 1.00 0.00 N ATOM 863 CA ILE A 812 -7.758 7.292 0.243 1.00 0.00 C ATOM 864 C ILE A 812 -8.515 7.513 1.553 1.00 0.00 C ATOM 865 O ILE A 812 -9.709 7.240 1.643 1.00 0.00 O ATOM 866 CB ILE A 812 -7.274 5.821 0.138 1.00 0.00 C ATOM 867 CG1 ILE A 812 -6.834 5.511 -1.294 1.00 0.00 C ATOM 868 CG2 ILE A 812 -8.360 4.841 0.572 1.00 0.00 C ATOM 869 CD1 ILE A 812 -5.492 4.818 -1.384 1.00 0.00 C ATOM 0 H ILE A 812 -5.727 7.810 0.202 1.00 0.00 H new ATOM 0 HA ILE A 812 -8.436 7.477 -0.590 1.00 0.00 H new ATOM 0 HB ILE A 812 -6.425 5.702 0.812 1.00 0.00 H new ATOM 0 HG12 ILE A 812 -7.589 4.884 -1.768 1.00 0.00 H new ATOM 0 HG13 ILE A 812 -6.791 6.441 -1.860 1.00 0.00 H new ATOM 0 HG21 ILE A 812 -7.985 3.821 0.485 1.00 0.00 H new ATOM 0 HG22 ILE A 812 -8.636 5.039 1.608 1.00 0.00 H new ATOM 0 HG23 ILE A 812 -9.235 4.962 -0.066 1.00 0.00 H new ATOM 0 HD11 ILE A 812 -5.248 4.631 -2.430 1.00 0.00 H new ATOM 0 HD12 ILE A 812 -4.725 5.452 -0.940 1.00 0.00 H new ATOM 0 HD13 ILE A 812 -5.535 3.871 -0.847 1.00 0.00 H new ATOM 881 N PHE A 813 -7.831 8.037 2.562 1.00 0.00 N ATOM 882 CA PHE A 813 -8.482 8.357 3.826 1.00 0.00 C ATOM 883 C PHE A 813 -9.409 9.554 3.643 1.00 0.00 C ATOM 884 O PHE A 813 -10.477 9.635 4.256 1.00 0.00 O ATOM 885 CB PHE A 813 -7.445 8.648 4.912 1.00 0.00 C ATOM 886 CG PHE A 813 -6.763 7.413 5.427 1.00 0.00 C ATOM 887 CD1 PHE A 813 -7.466 6.473 6.163 1.00 0.00 C ATOM 888 CD2 PHE A 813 -5.423 7.190 5.168 1.00 0.00 C ATOM 889 CE1 PHE A 813 -6.842 5.333 6.631 1.00 0.00 C ATOM 890 CE2 PHE A 813 -4.792 6.053 5.633 1.00 0.00 C ATOM 891 CZ PHE A 813 -5.503 5.123 6.365 1.00 0.00 C ATOM 0 H PHE A 813 -6.834 8.248 2.531 1.00 0.00 H new ATOM 0 HA PHE A 813 -9.071 7.496 4.142 1.00 0.00 H new ATOM 0 HB2 PHE A 813 -6.694 9.331 4.514 1.00 0.00 H new ATOM 0 HB3 PHE A 813 -7.932 9.159 5.742 1.00 0.00 H new ATOM 0 HD1 PHE A 813 -8.513 6.633 6.373 1.00 0.00 H new ATOM 0 HD2 PHE A 813 -4.863 7.914 4.595 1.00 0.00 H new ATOM 0 HE1 PHE A 813 -7.400 4.607 7.204 1.00 0.00 H new ATOM 0 HE2 PHE A 813 -3.745 5.892 5.425 1.00 0.00 H new ATOM 0 HZ PHE A 813 -5.013 4.232 6.729 1.00 0.00 H new ATOM 901 N SER A 814 -8.996 10.471 2.780 1.00 0.00 N ATOM 902 CA SER A 814 -9.797 11.640 2.458 1.00 0.00 C ATOM 903 C SER A 814 -10.909 11.283 1.469 1.00 0.00 C ATOM 904 O SER A 814 -11.995 11.859 1.509 1.00 0.00 O ATOM 905 CB SER A 814 -8.896 12.726 1.870 1.00 0.00 C ATOM 906 OG SER A 814 -7.525 12.385 2.024 1.00 0.00 O ATOM 0 H SER A 814 -8.104 10.426 2.288 1.00 0.00 H new ATOM 0 HA SER A 814 -10.264 12.009 3.371 1.00 0.00 H new ATOM 0 HB2 SER A 814 -9.125 12.861 0.813 1.00 0.00 H new ATOM 0 HB3 SER A 814 -9.096 13.677 2.364 1.00 0.00 H new ATOM 0 HG SER A 814 -6.967 13.093 1.639 1.00 0.00 H new ATOM 912 N SER A 815 -10.637 10.321 0.593 1.00 0.00 N ATOM 913 CA SER A 815 -11.586 9.937 -0.447 1.00 0.00 C ATOM 914 C SER A 815 -12.509 8.815 0.022 1.00 0.00 C ATOM 915 O SER A 815 -13.458 8.458 -0.677 1.00 0.00 O ATOM 916 CB SER A 815 -10.831 9.499 -1.706 1.00 0.00 C ATOM 917 OG SER A 815 -9.908 8.467 -1.419 1.00 0.00 O ATOM 0 H SER A 815 -9.765 9.792 0.583 1.00 0.00 H new ATOM 0 HA SER A 815 -12.204 10.806 -0.674 1.00 0.00 H new ATOM 0 HB2 SER A 815 -11.542 9.155 -2.458 1.00 0.00 H new ATOM 0 HB3 SER A 815 -10.304 10.353 -2.132 1.00 0.00 H new ATOM 0 HG SER A 815 -9.074 8.858 -1.084 1.00 0.00 H new ATOM 923 N MET A 816 -12.223 8.266 1.200 1.00 0.00 N ATOM 924 CA MET A 816 -12.993 7.152 1.748 1.00 0.00 C ATOM 925 C MET A 816 -14.480 7.476 1.775 1.00 0.00 C ATOM 926 O MET A 816 -14.924 8.381 2.485 1.00 0.00 O ATOM 927 CB MET A 816 -12.507 6.797 3.154 1.00 0.00 C ATOM 928 CG MET A 816 -12.244 5.312 3.344 1.00 0.00 C ATOM 929 SD MET A 816 -11.555 4.928 4.963 1.00 0.00 S ATOM 930 CE MET A 816 -10.005 4.163 4.496 1.00 0.00 C ATOM 0 H MET A 816 -11.457 8.578 1.798 1.00 0.00 H new ATOM 0 HA MET A 816 -12.840 6.291 1.097 1.00 0.00 H new ATOM 0 HB2 MET A 816 -11.592 7.351 3.365 1.00 0.00 H new ATOM 0 HB3 MET A 816 -13.251 7.123 3.881 1.00 0.00 H new ATOM 0 HG2 MET A 816 -13.176 4.763 3.211 1.00 0.00 H new ATOM 0 HG3 MET A 816 -11.557 4.967 2.571 1.00 0.00 H new ATOM 0 HE1 MET A 816 -9.247 4.391 5.245 1.00 0.00 H new ATOM 0 HE2 MET A 816 -10.137 3.083 4.431 1.00 0.00 H new ATOM 0 HE3 MET A 816 -9.686 4.549 3.528 1.00 0.00 H new ATOM 940 N GLY A 817 -15.235 6.731 0.985 1.00 0.00 N ATOM 941 CA GLY A 817 -16.650 6.990 0.837 1.00 0.00 C ATOM 942 C GLY A 817 -17.010 7.219 -0.613 1.00 0.00 C ATOM 943 O GLY A 817 -18.150 7.009 -1.024 1.00 0.00 O ATOM 0 H GLY A 817 -14.888 5.943 0.438 1.00 0.00 H new ATOM 0 HA2 GLY A 817 -17.220 6.148 1.228 1.00 0.00 H new ATOM 0 HA3 GLY A 817 -16.927 7.864 1.427 1.00 0.00 H new ATOM 947 N ASP A 818 -16.025 7.656 -1.386 1.00 0.00 N ATOM 948 CA ASP A 818 -16.188 7.832 -2.820 1.00 0.00 C ATOM 949 C ASP A 818 -15.421 6.746 -3.556 1.00 0.00 C ATOM 950 O ASP A 818 -14.204 6.843 -3.735 1.00 0.00 O ATOM 951 CB ASP A 818 -15.699 9.211 -3.267 1.00 0.00 C ATOM 952 CG ASP A 818 -15.950 9.463 -4.742 1.00 0.00 C ATOM 953 OD1 ASP A 818 -17.127 9.590 -5.135 1.00 0.00 O ATOM 954 OD2 ASP A 818 -14.972 9.548 -5.513 1.00 0.00 O ATOM 0 H ASP A 818 -15.097 7.897 -1.038 1.00 0.00 H new ATOM 0 HA ASP A 818 -17.249 7.758 -3.058 1.00 0.00 H new ATOM 0 HB2 ASP A 818 -16.201 9.980 -2.679 1.00 0.00 H new ATOM 0 HB3 ASP A 818 -14.632 9.299 -3.062 1.00 0.00 H new ATOM 959 N ALA A 819 -16.143 5.712 -3.961 1.00 0.00 N ATOM 960 CA ALA A 819 -15.557 4.550 -4.617 1.00 0.00 C ATOM 961 C ALA A 819 -14.711 4.942 -5.823 1.00 0.00 C ATOM 962 O ALA A 819 -13.610 4.423 -6.012 1.00 0.00 O ATOM 963 CB ALA A 819 -16.659 3.599 -5.046 1.00 0.00 C ATOM 0 H ALA A 819 -17.155 5.654 -3.844 1.00 0.00 H new ATOM 0 HA ALA A 819 -14.899 4.059 -3.901 1.00 0.00 H new ATOM 0 HB1 ALA A 819 -16.220 2.730 -5.536 1.00 0.00 H new ATOM 0 HB2 ALA A 819 -17.222 3.275 -4.170 1.00 0.00 H new ATOM 0 HB3 ALA A 819 -17.329 4.107 -5.740 1.00 0.00 H new ATOM 969 N GLY A 820 -15.232 5.862 -6.628 1.00 0.00 N ATOM 970 CA GLY A 820 -14.547 6.274 -7.838 1.00 0.00 C ATOM 971 C GLY A 820 -13.141 6.793 -7.587 1.00 0.00 C ATOM 972 O GLY A 820 -12.189 6.352 -8.234 1.00 0.00 O ATOM 0 H GLY A 820 -16.122 6.332 -6.462 1.00 0.00 H new ATOM 0 HA2 GLY A 820 -14.497 5.429 -8.525 1.00 0.00 H new ATOM 0 HA3 GLY A 820 -15.131 7.051 -8.331 1.00 0.00 H new ATOM 976 N GLU A 821 -13.003 7.728 -6.654 1.00 0.00 N ATOM 977 CA GLU A 821 -11.698 8.300 -6.343 1.00 0.00 C ATOM 978 C GLU A 821 -10.817 7.286 -5.626 1.00 0.00 C ATOM 979 O GLU A 821 -9.621 7.187 -5.902 1.00 0.00 O ATOM 980 CB GLU A 821 -11.847 9.560 -5.488 1.00 0.00 C ATOM 981 CG GLU A 821 -10.690 10.537 -5.632 1.00 0.00 C ATOM 982 CD GLU A 821 -10.183 10.644 -7.057 1.00 0.00 C ATOM 983 OE1 GLU A 821 -11.005 10.843 -7.978 1.00 0.00 O ATOM 984 OE2 GLU A 821 -8.957 10.536 -7.269 1.00 0.00 O ATOM 0 H GLU A 821 -13.774 8.105 -6.102 1.00 0.00 H new ATOM 0 HA GLU A 821 -11.221 8.571 -7.285 1.00 0.00 H new ATOM 0 HB2 GLU A 821 -12.774 10.065 -5.760 1.00 0.00 H new ATOM 0 HB3 GLU A 821 -11.938 9.270 -4.441 1.00 0.00 H new ATOM 0 HG2 GLU A 821 -11.008 11.522 -5.290 1.00 0.00 H new ATOM 0 HG3 GLU A 821 -9.872 10.223 -4.983 1.00 0.00 H new ATOM 991 N MET A 822 -11.420 6.526 -4.720 1.00 0.00 N ATOM 992 CA MET A 822 -10.694 5.516 -3.958 1.00 0.00 C ATOM 993 C MET A 822 -10.028 4.508 -4.891 1.00 0.00 C ATOM 994 O MET A 822 -8.864 4.151 -4.705 1.00 0.00 O ATOM 995 CB MET A 822 -11.638 4.795 -2.997 1.00 0.00 C ATOM 996 CG MET A 822 -11.730 5.447 -1.627 1.00 0.00 C ATOM 997 SD MET A 822 -13.042 4.744 -0.607 1.00 0.00 S ATOM 998 CE MET A 822 -12.804 2.998 -0.918 1.00 0.00 C ATOM 0 H MET A 822 -12.413 6.590 -4.494 1.00 0.00 H new ATOM 0 HA MET A 822 -9.918 6.019 -3.381 1.00 0.00 H new ATOM 0 HB2 MET A 822 -12.633 4.757 -3.439 1.00 0.00 H new ATOM 0 HB3 MET A 822 -11.303 3.765 -2.878 1.00 0.00 H new ATOM 0 HG2 MET A 822 -10.776 5.336 -1.112 1.00 0.00 H new ATOM 0 HG3 MET A 822 -11.904 6.516 -1.749 1.00 0.00 H new ATOM 0 HE1 MET A 822 -13.333 2.418 -0.161 1.00 0.00 H new ATOM 0 HE2 MET A 822 -13.194 2.748 -1.905 1.00 0.00 H new ATOM 0 HE3 MET A 822 -11.740 2.763 -0.878 1.00 0.00 H new ATOM 1008 N VAL A 823 -10.769 4.064 -5.901 1.00 0.00 N ATOM 1009 CA VAL A 823 -10.242 3.130 -6.888 1.00 0.00 C ATOM 1010 C VAL A 823 -9.113 3.771 -7.693 1.00 0.00 C ATOM 1011 O VAL A 823 -8.095 3.134 -7.969 1.00 0.00 O ATOM 1012 CB VAL A 823 -11.353 2.635 -7.845 1.00 0.00 C ATOM 1013 CG1 VAL A 823 -10.769 1.972 -9.084 1.00 0.00 C ATOM 1014 CG2 VAL A 823 -12.282 1.675 -7.124 1.00 0.00 C ATOM 0 H VAL A 823 -11.739 4.337 -6.057 1.00 0.00 H new ATOM 0 HA VAL A 823 -9.847 2.271 -6.345 1.00 0.00 H new ATOM 0 HB VAL A 823 -11.923 3.506 -8.170 1.00 0.00 H new ATOM 0 HG11 VAL A 823 -11.578 1.637 -9.733 1.00 0.00 H new ATOM 0 HG12 VAL A 823 -10.146 2.688 -9.621 1.00 0.00 H new ATOM 0 HG13 VAL A 823 -10.164 1.116 -8.787 1.00 0.00 H new ATOM 0 HG21 VAL A 823 -13.058 1.336 -7.810 1.00 0.00 H new ATOM 0 HG22 VAL A 823 -11.713 0.817 -6.767 1.00 0.00 H new ATOM 0 HG23 VAL A 823 -12.743 2.182 -6.277 1.00 0.00 H new ATOM 1024 N ARG A 824 -9.292 5.039 -8.051 1.00 0.00 N ATOM 1025 CA ARG A 824 -8.286 5.770 -8.812 1.00 0.00 C ATOM 1026 C ARG A 824 -6.960 5.799 -8.064 1.00 0.00 C ATOM 1027 O ARG A 824 -5.920 5.436 -8.616 1.00 0.00 O ATOM 1028 CB ARG A 824 -8.752 7.197 -9.096 1.00 0.00 C ATOM 1029 CG ARG A 824 -7.951 7.892 -10.185 1.00 0.00 C ATOM 1030 CD ARG A 824 -7.402 9.228 -9.711 1.00 0.00 C ATOM 1031 NE ARG A 824 -7.356 10.209 -10.794 1.00 0.00 N ATOM 1032 CZ ARG A 824 -8.185 11.245 -10.902 1.00 0.00 C ATOM 1033 NH1 ARG A 824 -9.093 11.482 -9.966 1.00 0.00 N ATOM 1034 NH2 ARG A 824 -8.089 12.051 -11.946 1.00 0.00 N ATOM 0 H ARG A 824 -10.126 5.582 -7.826 1.00 0.00 H new ATOM 0 HA ARG A 824 -8.144 5.252 -9.761 1.00 0.00 H new ATOM 0 HB2 ARG A 824 -9.803 7.177 -9.386 1.00 0.00 H new ATOM 0 HB3 ARG A 824 -8.686 7.782 -8.178 1.00 0.00 H new ATOM 0 HG2 ARG A 824 -7.127 7.250 -10.497 1.00 0.00 H new ATOM 0 HG3 ARG A 824 -8.583 8.047 -11.059 1.00 0.00 H new ATOM 0 HD2 ARG A 824 -8.023 9.610 -8.901 1.00 0.00 H new ATOM 0 HD3 ARG A 824 -6.400 9.086 -9.305 1.00 0.00 H new ATOM 0 HE ARG A 824 -6.642 10.092 -11.513 1.00 0.00 H new ATOM 0 HH11 ARG A 824 -9.161 10.868 -9.154 1.00 0.00 H new ATOM 0 HH12 ARG A 824 -9.724 12.278 -10.057 1.00 0.00 H new ATOM 0 HH21 ARG A 824 -7.383 11.877 -12.662 1.00 0.00 H new ATOM 0 HH22 ARG A 824 -8.721 12.847 -12.036 1.00 0.00 H new ATOM 1048 N GLN A 825 -7.007 6.214 -6.805 1.00 0.00 N ATOM 1049 CA GLN A 825 -5.812 6.279 -5.980 1.00 0.00 C ATOM 1050 C GLN A 825 -5.218 4.889 -5.784 1.00 0.00 C ATOM 1051 O GLN A 825 -4.005 4.709 -5.865 1.00 0.00 O ATOM 1052 CB GLN A 825 -6.130 6.917 -4.629 1.00 0.00 C ATOM 1053 CG GLN A 825 -6.825 8.262 -4.747 1.00 0.00 C ATOM 1054 CD GLN A 825 -5.897 9.368 -5.210 1.00 0.00 C ATOM 1055 OE1 GLN A 825 -4.744 9.448 -4.787 1.00 0.00 O ATOM 1056 NE2 GLN A 825 -6.395 10.229 -6.082 1.00 0.00 N ATOM 0 H GLN A 825 -7.862 6.511 -6.334 1.00 0.00 H new ATOM 0 HA GLN A 825 -5.076 6.899 -6.492 1.00 0.00 H new ATOM 0 HB2 GLN A 825 -6.761 6.239 -4.055 1.00 0.00 H new ATOM 0 HB3 GLN A 825 -5.204 7.043 -4.068 1.00 0.00 H new ATOM 0 HG2 GLN A 825 -7.656 8.175 -5.447 1.00 0.00 H new ATOM 0 HG3 GLN A 825 -7.249 8.532 -3.780 1.00 0.00 H new ATOM 0 HE21 GLN A 825 -7.356 10.127 -6.407 1.00 0.00 H new ATOM 0 HE22 GLN A 825 -5.818 10.995 -6.429 1.00 0.00 H new ATOM 1065 N ALA A 826 -6.081 3.905 -5.557 1.00 0.00 N ATOM 1066 CA ALA A 826 -5.641 2.525 -5.380 1.00 0.00 C ATOM 1067 C ALA A 826 -4.841 2.043 -6.590 1.00 0.00 C ATOM 1068 O ALA A 826 -3.861 1.308 -6.448 1.00 0.00 O ATOM 1069 CB ALA A 826 -6.837 1.616 -5.133 1.00 0.00 C ATOM 0 H ALA A 826 -7.090 4.037 -5.491 1.00 0.00 H new ATOM 0 HA ALA A 826 -4.987 2.486 -4.509 1.00 0.00 H new ATOM 0 HB1 ALA A 826 -6.493 0.590 -5.003 1.00 0.00 H new ATOM 0 HB2 ALA A 826 -7.361 1.940 -4.234 1.00 0.00 H new ATOM 0 HB3 ALA A 826 -7.514 1.666 -5.985 1.00 0.00 H new ATOM 1075 N ARG A 827 -5.254 2.474 -7.779 1.00 0.00 N ATOM 1076 CA ARG A 827 -4.552 2.123 -9.010 1.00 0.00 C ATOM 1077 C ARG A 827 -3.143 2.713 -9.010 1.00 0.00 C ATOM 1078 O ARG A 827 -2.176 2.045 -9.379 1.00 0.00 O ATOM 1079 CB ARG A 827 -5.318 2.634 -10.231 1.00 0.00 C ATOM 1080 CG ARG A 827 -6.576 1.844 -10.546 1.00 0.00 C ATOM 1081 CD ARG A 827 -7.590 2.696 -11.294 1.00 0.00 C ATOM 1082 NE ARG A 827 -8.166 1.991 -12.437 1.00 0.00 N ATOM 1083 CZ ARG A 827 -7.706 2.082 -13.685 1.00 0.00 C ATOM 1084 NH1 ARG A 827 -6.682 2.883 -13.961 1.00 0.00 N ATOM 1085 NH2 ARG A 827 -8.279 1.385 -14.658 1.00 0.00 N ATOM 0 H ARG A 827 -6.072 3.068 -7.916 1.00 0.00 H new ATOM 0 HA ARG A 827 -4.485 1.036 -9.061 1.00 0.00 H new ATOM 0 HB2 ARG A 827 -5.588 3.677 -10.067 1.00 0.00 H new ATOM 0 HB3 ARG A 827 -4.658 2.608 -11.098 1.00 0.00 H new ATOM 0 HG2 ARG A 827 -6.319 0.970 -11.145 1.00 0.00 H new ATOM 0 HG3 ARG A 827 -7.019 1.477 -9.620 1.00 0.00 H new ATOM 0 HD2 ARG A 827 -8.387 2.992 -10.612 1.00 0.00 H new ATOM 0 HD3 ARG A 827 -7.109 3.612 -11.638 1.00 0.00 H new ATOM 0 HE ARG A 827 -8.973 1.390 -12.269 1.00 0.00 H new ATOM 0 HH11 ARG A 827 -6.247 3.429 -13.217 1.00 0.00 H new ATOM 0 HH12 ARG A 827 -6.331 2.952 -14.916 1.00 0.00 H new ATOM 0 HH21 ARG A 827 -9.073 0.778 -14.452 1.00 0.00 H new ATOM 0 HH22 ARG A 827 -7.926 1.456 -15.612 1.00 0.00 H new ATOM 1099 N ILE A 828 -3.040 3.968 -8.588 1.00 0.00 N ATOM 1100 CA ILE A 828 -1.751 4.647 -8.517 1.00 0.00 C ATOM 1101 C ILE A 828 -0.867 4.000 -7.453 1.00 0.00 C ATOM 1102 O ILE A 828 0.339 3.847 -7.644 1.00 0.00 O ATOM 1103 CB ILE A 828 -1.918 6.151 -8.207 1.00 0.00 C ATOM 1104 CG1 ILE A 828 -2.931 6.787 -9.164 1.00 0.00 C ATOM 1105 CG2 ILE A 828 -0.579 6.866 -8.305 1.00 0.00 C ATOM 1106 CD1 ILE A 828 -3.785 7.860 -8.522 1.00 0.00 C ATOM 0 H ILE A 828 -3.833 4.536 -8.290 1.00 0.00 H new ATOM 0 HA ILE A 828 -1.276 4.550 -9.493 1.00 0.00 H new ATOM 0 HB ILE A 828 -2.292 6.252 -7.188 1.00 0.00 H new ATOM 0 HG12 ILE A 828 -2.396 7.219 -10.010 1.00 0.00 H new ATOM 0 HG13 ILE A 828 -3.581 6.007 -9.562 1.00 0.00 H new ATOM 0 HG21 ILE A 828 -0.715 7.925 -8.084 1.00 0.00 H new ATOM 0 HG22 ILE A 828 0.118 6.432 -7.589 1.00 0.00 H new ATOM 0 HG23 ILE A 828 -0.180 6.754 -9.313 1.00 0.00 H new ATOM 0 HD11 ILE A 828 -4.478 8.264 -9.260 1.00 0.00 H new ATOM 0 HD12 ILE A 828 -4.348 7.430 -7.694 1.00 0.00 H new ATOM 0 HD13 ILE A 828 -3.145 8.660 -8.149 1.00 0.00 H new ATOM 1118 N LEU A 829 -1.481 3.610 -6.341 1.00 0.00 N ATOM 1119 CA LEU A 829 -0.773 2.934 -5.258 1.00 0.00 C ATOM 1120 C LEU A 829 -0.102 1.662 -5.769 1.00 0.00 C ATOM 1121 O LEU A 829 1.087 1.441 -5.541 1.00 0.00 O ATOM 1122 CB LEU A 829 -1.746 2.595 -4.124 1.00 0.00 C ATOM 1123 CG LEU A 829 -1.108 2.119 -2.813 1.00 0.00 C ATOM 1124 CD1 LEU A 829 0.161 2.905 -2.507 1.00 0.00 C ATOM 1125 CD2 LEU A 829 -2.100 2.251 -1.667 1.00 0.00 C ATOM 0 H LEU A 829 -2.476 3.752 -6.165 1.00 0.00 H new ATOM 0 HA LEU A 829 -0.002 3.604 -4.877 1.00 0.00 H new ATOM 0 HB2 LEU A 829 -2.349 3.478 -3.912 1.00 0.00 H new ATOM 0 HB3 LEU A 829 -2.428 1.821 -4.476 1.00 0.00 H new ATOM 0 HG LEU A 829 -0.838 1.069 -2.927 1.00 0.00 H new ATOM 0 HD11 LEU A 829 0.594 2.548 -1.572 1.00 0.00 H new ATOM 0 HD12 LEU A 829 0.879 2.766 -3.316 1.00 0.00 H new ATOM 0 HD13 LEU A 829 -0.080 3.964 -2.414 1.00 0.00 H new ATOM 0 HD21 LEU A 829 -1.635 1.910 -0.742 1.00 0.00 H new ATOM 0 HD22 LEU A 829 -2.396 3.295 -1.561 1.00 0.00 H new ATOM 0 HD23 LEU A 829 -2.980 1.643 -1.876 1.00 0.00 H new ATOM 1137 N ALA A 830 -0.864 0.848 -6.489 1.00 0.00 N ATOM 1138 CA ALA A 830 -0.357 -0.408 -7.030 1.00 0.00 C ATOM 1139 C ALA A 830 0.848 -0.174 -7.934 1.00 0.00 C ATOM 1140 O ALA A 830 1.807 -0.947 -7.919 1.00 0.00 O ATOM 1141 CB ALA A 830 -1.456 -1.137 -7.785 1.00 0.00 C ATOM 0 H ALA A 830 -1.841 1.036 -6.713 1.00 0.00 H new ATOM 0 HA ALA A 830 -0.032 -1.029 -6.195 1.00 0.00 H new ATOM 0 HB1 ALA A 830 -1.064 -2.073 -8.184 1.00 0.00 H new ATOM 0 HB2 ALA A 830 -2.284 -1.349 -7.108 1.00 0.00 H new ATOM 0 HB3 ALA A 830 -1.809 -0.513 -8.606 1.00 0.00 H new ATOM 1147 N GLN A 831 0.799 0.901 -8.709 1.00 0.00 N ATOM 1148 CA GLN A 831 1.889 1.250 -9.609 1.00 0.00 C ATOM 1149 C GLN A 831 3.098 1.752 -8.822 1.00 0.00 C ATOM 1150 O GLN A 831 4.220 1.282 -9.023 1.00 0.00 O ATOM 1151 CB GLN A 831 1.426 2.318 -10.606 1.00 0.00 C ATOM 1152 CG GLN A 831 2.482 2.707 -11.630 1.00 0.00 C ATOM 1153 CD GLN A 831 3.037 4.099 -11.393 1.00 0.00 C ATOM 1154 OE1 GLN A 831 2.286 5.063 -11.225 1.00 0.00 O ATOM 1155 NE2 GLN A 831 4.356 4.213 -11.376 1.00 0.00 N ATOM 0 H GLN A 831 0.012 1.549 -8.732 1.00 0.00 H new ATOM 0 HA GLN A 831 2.184 0.356 -10.158 1.00 0.00 H new ATOM 0 HB2 GLN A 831 0.543 1.953 -11.130 1.00 0.00 H new ATOM 0 HB3 GLN A 831 1.124 3.208 -10.055 1.00 0.00 H new ATOM 0 HG2 GLN A 831 3.297 1.984 -11.599 1.00 0.00 H new ATOM 0 HG3 GLN A 831 2.050 2.657 -12.629 1.00 0.00 H new ATOM 0 HE21 GLN A 831 4.941 3.390 -11.519 1.00 0.00 H new ATOM 0 HE22 GLN A 831 4.787 5.124 -11.220 1.00 0.00 H new ATOM 1164 N ALA A 832 2.851 2.688 -7.909 1.00 0.00 N ATOM 1165 CA ALA A 832 3.914 3.321 -7.138 1.00 0.00 C ATOM 1166 C ALA A 832 4.688 2.307 -6.300 1.00 0.00 C ATOM 1167 O ALA A 832 5.920 2.285 -6.323 1.00 0.00 O ATOM 1168 CB ALA A 832 3.337 4.414 -6.250 1.00 0.00 C ATOM 0 H ALA A 832 1.915 3.026 -7.685 1.00 0.00 H new ATOM 0 HA ALA A 832 4.616 3.765 -7.843 1.00 0.00 H new ATOM 0 HB1 ALA A 832 4.140 4.880 -5.679 1.00 0.00 H new ATOM 0 HB2 ALA A 832 2.849 5.166 -6.870 1.00 0.00 H new ATOM 0 HB3 ALA A 832 2.609 3.980 -5.565 1.00 0.00 H new ATOM 1174 N THR A 833 3.969 1.463 -5.568 1.00 0.00 N ATOM 1175 CA THR A 833 4.608 0.471 -4.717 1.00 0.00 C ATOM 1176 C THR A 833 5.436 -0.519 -5.532 1.00 0.00 C ATOM 1177 O THR A 833 6.522 -0.918 -5.110 1.00 0.00 O ATOM 1178 CB THR A 833 3.576 -0.297 -3.876 1.00 0.00 C ATOM 1179 OG1 THR A 833 2.653 0.624 -3.284 1.00 0.00 O ATOM 1180 CG2 THR A 833 4.265 -1.099 -2.784 1.00 0.00 C ATOM 0 H THR A 833 2.949 1.447 -5.548 1.00 0.00 H new ATOM 0 HA THR A 833 5.273 1.017 -4.048 1.00 0.00 H new ATOM 0 HB THR A 833 3.039 -0.985 -4.529 1.00 0.00 H new ATOM 0 HG1 THR A 833 2.078 0.148 -2.649 1.00 0.00 H new ATOM 0 HG21 THR A 833 3.517 -1.635 -2.200 1.00 0.00 H new ATOM 0 HG22 THR A 833 4.953 -1.813 -3.236 1.00 0.00 H new ATOM 0 HG23 THR A 833 4.819 -0.424 -2.132 1.00 0.00 H new ATOM 1188 N SER A 834 4.935 -0.899 -6.704 1.00 0.00 N ATOM 1189 CA SER A 834 5.658 -1.824 -7.569 1.00 0.00 C ATOM 1190 C SER A 834 7.022 -1.250 -7.937 1.00 0.00 C ATOM 1191 O SER A 834 8.029 -1.960 -7.938 1.00 0.00 O ATOM 1192 CB SER A 834 4.846 -2.116 -8.833 1.00 0.00 C ATOM 1193 OG SER A 834 3.625 -2.766 -8.515 1.00 0.00 O ATOM 0 H SER A 834 4.038 -0.583 -7.074 1.00 0.00 H new ATOM 0 HA SER A 834 5.808 -2.759 -7.029 1.00 0.00 H new ATOM 0 HB2 SER A 834 4.640 -1.184 -9.360 1.00 0.00 H new ATOM 0 HB3 SER A 834 5.430 -2.742 -9.508 1.00 0.00 H new ATOM 0 HG SER A 834 3.013 -2.126 -8.095 1.00 0.00 H new ATOM 1199 N ASP A 835 7.048 0.046 -8.219 1.00 0.00 N ATOM 1200 CA ASP A 835 8.287 0.731 -8.555 1.00 0.00 C ATOM 1201 C ASP A 835 9.216 0.781 -7.348 1.00 0.00 C ATOM 1202 O ASP A 835 10.413 0.512 -7.460 1.00 0.00 O ATOM 1203 CB ASP A 835 7.993 2.149 -9.043 1.00 0.00 C ATOM 1204 CG ASP A 835 9.077 2.680 -9.956 1.00 0.00 C ATOM 1205 OD1 ASP A 835 9.222 2.156 -11.079 1.00 0.00 O ATOM 1206 OD2 ASP A 835 9.779 3.634 -9.562 1.00 0.00 O ATOM 0 H ASP A 835 6.222 0.645 -8.221 1.00 0.00 H new ATOM 0 HA ASP A 835 8.780 0.175 -9.353 1.00 0.00 H new ATOM 0 HB2 ASP A 835 7.040 2.158 -9.571 1.00 0.00 H new ATOM 0 HB3 ASP A 835 7.888 2.812 -8.184 1.00 0.00 H new ATOM 1211 N LEU A 836 8.646 1.114 -6.194 1.00 0.00 N ATOM 1212 CA LEU A 836 9.400 1.201 -4.948 1.00 0.00 C ATOM 1213 C LEU A 836 10.031 -0.143 -4.591 1.00 0.00 C ATOM 1214 O LEU A 836 11.238 -0.227 -4.356 1.00 0.00 O ATOM 1215 CB LEU A 836 8.475 1.678 -3.816 1.00 0.00 C ATOM 1216 CG LEU A 836 8.965 1.408 -2.389 1.00 0.00 C ATOM 1217 CD1 LEU A 836 10.093 2.361 -2.024 1.00 0.00 C ATOM 1218 CD2 LEU A 836 7.817 1.543 -1.404 1.00 0.00 C ATOM 0 H LEU A 836 7.654 1.330 -6.096 1.00 0.00 H new ATOM 0 HA LEU A 836 10.207 1.922 -5.081 1.00 0.00 H new ATOM 0 HB2 LEU A 836 8.319 2.751 -3.929 1.00 0.00 H new ATOM 0 HB3 LEU A 836 7.503 1.200 -3.942 1.00 0.00 H new ATOM 0 HG LEU A 836 9.347 0.388 -2.340 1.00 0.00 H new ATOM 0 HD11 LEU A 836 10.429 2.155 -1.008 1.00 0.00 H new ATOM 0 HD12 LEU A 836 10.924 2.223 -2.716 1.00 0.00 H new ATOM 0 HD13 LEU A 836 9.736 3.389 -2.087 1.00 0.00 H new ATOM 0 HD21 LEU A 836 8.179 1.349 -0.394 1.00 0.00 H new ATOM 0 HD22 LEU A 836 7.410 2.553 -1.455 1.00 0.00 H new ATOM 0 HD23 LEU A 836 7.037 0.824 -1.654 1.00 0.00 H new ATOM 1230 N VAL A 837 9.219 -1.193 -4.582 1.00 0.00 N ATOM 1231 CA VAL A 837 9.686 -2.526 -4.219 1.00 0.00 C ATOM 1232 C VAL A 837 10.762 -3.009 -5.187 1.00 0.00 C ATOM 1233 O VAL A 837 11.780 -3.563 -4.770 1.00 0.00 O ATOM 1234 CB VAL A 837 8.522 -3.543 -4.187 1.00 0.00 C ATOM 1235 CG1 VAL A 837 9.026 -4.946 -3.885 1.00 0.00 C ATOM 1236 CG2 VAL A 837 7.479 -3.125 -3.162 1.00 0.00 C ATOM 0 H VAL A 837 8.229 -1.147 -4.823 1.00 0.00 H new ATOM 0 HA VAL A 837 10.113 -2.456 -3.218 1.00 0.00 H new ATOM 0 HB VAL A 837 8.060 -3.555 -5.174 1.00 0.00 H new ATOM 0 HG11 VAL A 837 8.185 -5.639 -3.869 1.00 0.00 H new ATOM 0 HG12 VAL A 837 9.734 -5.252 -4.655 1.00 0.00 H new ATOM 0 HG13 VAL A 837 9.521 -4.954 -2.914 1.00 0.00 H new ATOM 0 HG21 VAL A 837 6.667 -3.852 -3.152 1.00 0.00 H new ATOM 0 HG22 VAL A 837 7.937 -3.080 -2.174 1.00 0.00 H new ATOM 0 HG23 VAL A 837 7.084 -2.143 -3.424 1.00 0.00 H new ATOM 1246 N ASN A 838 10.540 -2.781 -6.477 1.00 0.00 N ATOM 1247 CA ASN A 838 11.490 -3.203 -7.502 1.00 0.00 C ATOM 1248 C ASN A 838 12.822 -2.480 -7.341 1.00 0.00 C ATOM 1249 O ASN A 838 13.884 -3.074 -7.521 1.00 0.00 O ATOM 1250 CB ASN A 838 10.926 -2.942 -8.902 1.00 0.00 C ATOM 1251 CG ASN A 838 11.846 -3.449 -9.997 1.00 0.00 C ATOM 1252 OD1 ASN A 838 11.922 -4.650 -10.253 1.00 0.00 O ATOM 1253 ND2 ASN A 838 12.550 -2.538 -10.651 1.00 0.00 N ATOM 0 H ASN A 838 9.712 -2.307 -6.838 1.00 0.00 H new ATOM 0 HA ASN A 838 11.656 -4.273 -7.380 1.00 0.00 H new ATOM 0 HB2 ASN A 838 9.953 -3.425 -8.995 1.00 0.00 H new ATOM 0 HB3 ASN A 838 10.765 -1.872 -9.033 1.00 0.00 H new ATOM 0 HD21 ASN A 838 13.184 -2.823 -11.398 1.00 0.00 H new ATOM 0 HD22 ASN A 838 12.458 -1.552 -10.408 1.00 0.00 H new ATOM 1260 N ALA A 839 12.760 -1.200 -6.986 1.00 0.00 N ATOM 1261 CA ALA A 839 13.962 -0.393 -6.814 1.00 0.00 C ATOM 1262 C ALA A 839 14.849 -0.967 -5.717 1.00 0.00 C ATOM 1263 O ALA A 839 16.049 -1.166 -5.919 1.00 0.00 O ATOM 1264 CB ALA A 839 13.589 1.050 -6.504 1.00 0.00 C ATOM 0 H ALA A 839 11.889 -0.699 -6.812 1.00 0.00 H new ATOM 0 HA ALA A 839 14.526 -0.413 -7.747 1.00 0.00 H new ATOM 0 HB1 ALA A 839 14.496 1.641 -6.378 1.00 0.00 H new ATOM 0 HB2 ALA A 839 13.001 1.458 -7.326 1.00 0.00 H new ATOM 0 HB3 ALA A 839 13.003 1.085 -5.586 1.00 0.00 H new ATOM 1270 N ILE A 840 14.245 -1.251 -4.568 1.00 0.00 N ATOM 1271 CA ILE A 840 14.966 -1.833 -3.440 1.00 0.00 C ATOM 1272 C ILE A 840 15.458 -3.235 -3.781 1.00 0.00 C ATOM 1273 O ILE A 840 16.591 -3.603 -3.470 1.00 0.00 O ATOM 1274 CB ILE A 840 14.079 -1.899 -2.177 1.00 0.00 C ATOM 1275 CG1 ILE A 840 13.458 -0.531 -1.899 1.00 0.00 C ATOM 1276 CG2 ILE A 840 14.887 -2.373 -0.976 1.00 0.00 C ATOM 1277 CD1 ILE A 840 12.069 -0.601 -1.312 1.00 0.00 C ATOM 0 H ILE A 840 13.254 -1.087 -4.392 1.00 0.00 H new ATOM 0 HA ILE A 840 15.820 -1.187 -3.235 1.00 0.00 H new ATOM 0 HB ILE A 840 13.278 -2.618 -2.352 1.00 0.00 H new ATOM 0 HG12 ILE A 840 14.104 0.019 -1.215 1.00 0.00 H new ATOM 0 HG13 ILE A 840 13.421 0.037 -2.829 1.00 0.00 H new ATOM 0 HG21 ILE A 840 14.243 -2.412 -0.097 1.00 0.00 H new ATOM 0 HG22 ILE A 840 15.288 -3.366 -1.177 1.00 0.00 H new ATOM 0 HG23 ILE A 840 15.708 -1.680 -0.794 1.00 0.00 H new ATOM 0 HD11 ILE A 840 11.694 0.408 -1.142 1.00 0.00 H new ATOM 0 HD12 ILE A 840 11.407 -1.122 -2.004 1.00 0.00 H new ATOM 0 HD13 ILE A 840 12.101 -1.140 -0.365 1.00 0.00 H new ATOM 1289 N LYS A 841 14.597 -4.007 -4.434 1.00 0.00 N ATOM 1290 CA LYS A 841 14.936 -5.363 -4.849 1.00 0.00 C ATOM 1291 C LYS A 841 16.165 -5.362 -5.756 1.00 0.00 C ATOM 1292 O LYS A 841 17.084 -6.164 -5.578 1.00 0.00 O ATOM 1293 CB LYS A 841 13.747 -6.000 -5.575 1.00 0.00 C ATOM 1294 CG LYS A 841 13.938 -7.472 -5.900 1.00 0.00 C ATOM 1295 CD LYS A 841 13.697 -7.746 -7.376 1.00 0.00 C ATOM 1296 CE LYS A 841 13.809 -9.228 -7.695 1.00 0.00 C ATOM 1297 NZ LYS A 841 15.221 -9.682 -7.713 1.00 0.00 N ATOM 0 H LYS A 841 13.654 -3.715 -4.689 1.00 0.00 H new ATOM 0 HA LYS A 841 15.168 -5.948 -3.959 1.00 0.00 H new ATOM 0 HB2 LYS A 841 12.855 -5.887 -4.958 1.00 0.00 H new ATOM 0 HB3 LYS A 841 13.565 -5.455 -6.501 1.00 0.00 H new ATOM 0 HG2 LYS A 841 14.949 -7.778 -5.631 1.00 0.00 H new ATOM 0 HG3 LYS A 841 13.253 -8.071 -5.300 1.00 0.00 H new ATOM 0 HD2 LYS A 841 12.707 -7.387 -7.657 1.00 0.00 H new ATOM 0 HD3 LYS A 841 14.419 -7.189 -7.973 1.00 0.00 H new ATOM 0 HE2 LYS A 841 13.252 -9.802 -6.955 1.00 0.00 H new ATOM 0 HE3 LYS A 841 13.351 -9.427 -8.664 1.00 0.00 H new ATOM 0 HZ1 LYS A 841 15.256 -10.698 -7.934 1.00 0.00 H new ATOM 0 HZ2 LYS A 841 15.747 -9.152 -8.437 1.00 0.00 H new ATOM 0 HZ3 LYS A 841 15.651 -9.515 -6.781 1.00 0.00 H new ATOM 1508 N LEU A 856 15.752 -6.067 3.765 1.00 0.00 N ATOM 1509 CA LEU A 856 15.390 -5.132 2.712 1.00 0.00 C ATOM 1510 C LEU A 856 14.282 -5.686 1.837 1.00 0.00 C ATOM 1511 O LEU A 856 13.263 -5.037 1.601 1.00 0.00 O ATOM 1512 CB LEU A 856 16.631 -4.900 1.847 1.00 0.00 C ATOM 1513 CG LEU A 856 17.573 -3.798 2.344 1.00 0.00 C ATOM 1514 CD1 LEU A 856 18.875 -3.804 1.556 1.00 0.00 C ATOM 1515 CD2 LEU A 856 16.914 -2.431 2.277 1.00 0.00 C ATOM 0 HA LEU A 856 15.034 -4.206 3.164 1.00 0.00 H new ATOM 0 HB2 LEU A 856 17.190 -5.833 1.784 1.00 0.00 H new ATOM 0 HB3 LEU A 856 16.309 -4.652 0.836 1.00 0.00 H new ATOM 0 HG LEU A 856 17.801 -4.007 3.389 1.00 0.00 H new ATOM 0 HD11 LEU A 856 19.528 -3.014 1.926 1.00 0.00 H new ATOM 0 HD12 LEU A 856 19.369 -4.768 1.676 1.00 0.00 H new ATOM 0 HD13 LEU A 856 18.662 -3.634 0.501 1.00 0.00 H new ATOM 0 HD21 LEU A 856 17.610 -1.673 2.637 1.00 0.00 H new ATOM 0 HD22 LEU A 856 16.638 -2.210 1.246 1.00 0.00 H new ATOM 0 HD23 LEU A 856 16.020 -2.427 2.900 1.00 0.00 H new ATOM 1527 N LEU A 857 14.490 -6.902 1.396 1.00 0.00 N ATOM 1528 CA LEU A 857 13.579 -7.566 0.493 1.00 0.00 C ATOM 1529 C LEU A 857 12.323 -8.054 1.205 1.00 0.00 C ATOM 1530 O LEU A 857 11.266 -8.192 0.591 1.00 0.00 O ATOM 1531 CB LEU A 857 14.328 -8.687 -0.210 1.00 0.00 C ATOM 1532 CG LEU A 857 15.606 -8.213 -0.910 1.00 0.00 C ATOM 1533 CD1 LEU A 857 16.684 -9.293 -0.860 1.00 0.00 C ATOM 1534 CD2 LEU A 857 15.299 -7.838 -2.351 1.00 0.00 C ATOM 0 H LEU A 857 15.301 -7.464 1.654 1.00 0.00 H new ATOM 0 HA LEU A 857 13.224 -6.857 -0.255 1.00 0.00 H new ATOM 0 HB2 LEU A 857 14.584 -9.456 0.518 1.00 0.00 H new ATOM 0 HB3 LEU A 857 13.669 -9.150 -0.945 1.00 0.00 H new ATOM 0 HG LEU A 857 15.983 -7.334 -0.387 1.00 0.00 H new ATOM 0 HD11 LEU A 857 17.582 -8.934 -1.363 1.00 0.00 H new ATOM 0 HD12 LEU A 857 16.918 -9.525 0.179 1.00 0.00 H new ATOM 0 HD13 LEU A 857 16.322 -10.191 -1.360 1.00 0.00 H new ATOM 0 HD21 LEU A 857 16.212 -7.502 -2.842 1.00 0.00 H new ATOM 0 HD22 LEU A 857 14.903 -8.707 -2.877 1.00 0.00 H new ATOM 0 HD23 LEU A 857 14.561 -7.036 -2.369 1.00 0.00 H new ATOM 1546 N SER A 858 12.436 -8.313 2.503 1.00 0.00 N ATOM 1547 CA SER A 858 11.284 -8.732 3.291 1.00 0.00 C ATOM 1548 C SER A 858 10.368 -7.544 3.568 1.00 0.00 C ATOM 1549 O SER A 858 9.144 -7.657 3.478 1.00 0.00 O ATOM 1550 CB SER A 858 11.736 -9.377 4.600 1.00 0.00 C ATOM 1551 OG SER A 858 12.592 -10.480 4.350 1.00 0.00 O ATOM 0 H SER A 858 13.307 -8.241 3.028 1.00 0.00 H new ATOM 0 HA SER A 858 10.725 -9.473 2.719 1.00 0.00 H new ATOM 0 HB2 SER A 858 12.255 -8.640 5.213 1.00 0.00 H new ATOM 0 HB3 SER A 858 10.866 -9.708 5.167 1.00 0.00 H new ATOM 0 HG SER A 858 12.871 -10.877 5.201 1.00 0.00 H new ATOM 1557 N ALA A 859 10.970 -6.401 3.885 1.00 0.00 N ATOM 1558 CA ALA A 859 10.215 -5.175 4.113 1.00 0.00 C ATOM 1559 C ALA A 859 9.521 -4.730 2.833 1.00 0.00 C ATOM 1560 O ALA A 859 8.357 -4.330 2.851 1.00 0.00 O ATOM 1561 CB ALA A 859 11.129 -4.077 4.634 1.00 0.00 C ATOM 0 H ALA A 859 11.980 -6.299 3.990 1.00 0.00 H new ATOM 0 HA ALA A 859 9.452 -5.374 4.866 1.00 0.00 H new ATOM 0 HB1 ALA A 859 10.549 -3.169 4.799 1.00 0.00 H new ATOM 0 HB2 ALA A 859 11.581 -4.395 5.574 1.00 0.00 H new ATOM 0 HB3 ALA A 859 11.913 -3.879 3.903 1.00 0.00 H new ATOM 1567 N ALA A 860 10.241 -4.819 1.718 1.00 0.00 N ATOM 1568 CA ALA A 860 9.683 -4.479 0.416 1.00 0.00 C ATOM 1569 C ALA A 860 8.526 -5.409 0.068 1.00 0.00 C ATOM 1570 O ALA A 860 7.570 -5.011 -0.596 1.00 0.00 O ATOM 1571 CB ALA A 860 10.762 -4.545 -0.655 1.00 0.00 C ATOM 0 H ALA A 860 11.214 -5.124 1.692 1.00 0.00 H new ATOM 0 HA ALA A 860 9.300 -3.460 0.460 1.00 0.00 H new ATOM 0 HB1 ALA A 860 10.330 -4.289 -1.623 1.00 0.00 H new ATOM 0 HB2 ALA A 860 11.557 -3.840 -0.414 1.00 0.00 H new ATOM 0 HB3 ALA A 860 11.172 -5.554 -0.697 1.00 0.00 H new ATOM 1577 N LYS A 861 8.615 -6.648 0.535 1.00 0.00 N ATOM 1578 CA LYS A 861 7.559 -7.625 0.320 1.00 0.00 C ATOM 1579 C LYS A 861 6.271 -7.186 1.007 1.00 0.00 C ATOM 1580 O LYS A 861 5.186 -7.316 0.445 1.00 0.00 O ATOM 1581 CB LYS A 861 7.989 -8.996 0.838 1.00 0.00 C ATOM 1582 CG LYS A 861 7.461 -10.150 0.006 1.00 0.00 C ATOM 1583 CD LYS A 861 8.390 -11.349 0.070 1.00 0.00 C ATOM 1584 CE LYS A 861 8.093 -12.338 -1.043 1.00 0.00 C ATOM 1585 NZ LYS A 861 6.877 -13.145 -0.761 1.00 0.00 N ATOM 0 H LYS A 861 9.411 -6.999 1.067 1.00 0.00 H new ATOM 0 HA LYS A 861 7.373 -7.696 -0.752 1.00 0.00 H new ATOM 0 HB2 LYS A 861 9.078 -9.042 0.860 1.00 0.00 H new ATOM 0 HB3 LYS A 861 7.645 -9.112 1.866 1.00 0.00 H new ATOM 0 HG2 LYS A 861 6.471 -10.435 0.363 1.00 0.00 H new ATOM 0 HG3 LYS A 861 7.347 -9.831 -1.030 1.00 0.00 H new ATOM 0 HD2 LYS A 861 9.425 -11.014 -0.005 1.00 0.00 H new ATOM 0 HD3 LYS A 861 8.284 -11.843 1.036 1.00 0.00 H new ATOM 0 HE2 LYS A 861 7.961 -11.799 -1.981 1.00 0.00 H new ATOM 0 HE3 LYS A 861 8.947 -13.003 -1.175 1.00 0.00 H new ATOM 0 HZ1 LYS A 861 6.710 -13.807 -1.545 1.00 0.00 H new ATOM 0 HZ2 LYS A 861 7.012 -13.680 0.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 861 6.057 -12.513 -0.661 1.00 0.00 H new ATOM 1599 N ILE A 862 6.399 -6.652 2.220 1.00 0.00 N ATOM 1600 CA ILE A 862 5.240 -6.170 2.966 1.00 0.00 C ATOM 1601 C ILE A 862 4.598 -4.995 2.240 1.00 0.00 C ATOM 1602 O ILE A 862 3.374 -4.869 2.208 1.00 0.00 O ATOM 1603 CB ILE A 862 5.605 -5.730 4.400 1.00 0.00 C ATOM 1604 CG1 ILE A 862 6.544 -6.743 5.055 1.00 0.00 C ATOM 1605 CG2 ILE A 862 4.346 -5.558 5.239 1.00 0.00 C ATOM 1606 CD1 ILE A 862 7.294 -6.184 6.245 1.00 0.00 C ATOM 0 H ILE A 862 7.290 -6.543 2.705 1.00 0.00 H new ATOM 0 HA ILE A 862 4.541 -7.004 3.033 1.00 0.00 H new ATOM 0 HB ILE A 862 6.121 -4.771 4.342 1.00 0.00 H new ATOM 0 HG12 ILE A 862 5.966 -7.610 5.374 1.00 0.00 H new ATOM 0 HG13 ILE A 862 7.262 -7.094 4.314 1.00 0.00 H new ATOM 0 HG21 ILE A 862 4.620 -5.248 6.247 1.00 0.00 H new ATOM 0 HG22 ILE A 862 3.708 -4.799 4.786 1.00 0.00 H new ATOM 0 HG23 ILE A 862 3.807 -6.504 5.285 1.00 0.00 H new ATOM 0 HD11 ILE A 862 7.942 -6.955 6.662 1.00 0.00 H new ATOM 0 HD12 ILE A 862 7.899 -5.335 5.928 1.00 0.00 H new ATOM 0 HD13 ILE A 862 6.582 -5.859 7.004 1.00 0.00 H new ATOM 1618 N LEU A 863 5.438 -4.149 1.650 1.00 0.00 N ATOM 1619 CA LEU A 863 4.969 -3.005 0.877 1.00 0.00 C ATOM 1620 C LEU A 863 3.985 -3.455 -0.198 1.00 0.00 C ATOM 1621 O LEU A 863 2.854 -2.970 -0.265 1.00 0.00 O ATOM 1622 CB LEU A 863 6.152 -2.281 0.221 1.00 0.00 C ATOM 1623 CG LEU A 863 6.558 -0.949 0.860 1.00 0.00 C ATOM 1624 CD1 LEU A 863 5.332 -0.101 1.169 1.00 0.00 C ATOM 1625 CD2 LEU A 863 7.375 -1.190 2.119 1.00 0.00 C ATOM 0 H LEU A 863 6.453 -4.236 1.694 1.00 0.00 H new ATOM 0 HA LEU A 863 4.464 -2.319 1.557 1.00 0.00 H new ATOM 0 HB2 LEU A 863 7.015 -2.947 0.236 1.00 0.00 H new ATOM 0 HB3 LEU A 863 5.907 -2.100 -0.826 1.00 0.00 H new ATOM 0 HG LEU A 863 7.176 -0.403 0.148 1.00 0.00 H new ATOM 0 HD11 LEU A 863 5.645 0.840 1.622 1.00 0.00 H new ATOM 0 HD12 LEU A 863 4.789 0.104 0.246 1.00 0.00 H new ATOM 0 HD13 LEU A 863 4.683 -0.638 1.860 1.00 0.00 H new ATOM 0 HD21 LEU A 863 7.655 -0.233 2.560 1.00 0.00 H new ATOM 0 HD22 LEU A 863 6.782 -1.759 2.834 1.00 0.00 H new ATOM 0 HD23 LEU A 863 8.275 -1.750 1.867 1.00 0.00 H new ATOM 1637 N ALA A 864 4.418 -4.402 -1.022 1.00 0.00 N ATOM 1638 CA ALA A 864 3.592 -4.908 -2.112 1.00 0.00 C ATOM 1639 C ALA A 864 2.398 -5.693 -1.581 1.00 0.00 C ATOM 1640 O ALA A 864 1.276 -5.539 -2.066 1.00 0.00 O ATOM 1641 CB ALA A 864 4.426 -5.776 -3.043 1.00 0.00 C ATOM 0 H ALA A 864 5.339 -4.836 -0.956 1.00 0.00 H new ATOM 0 HA ALA A 864 3.209 -4.055 -2.672 1.00 0.00 H new ATOM 0 HB1 ALA A 864 3.799 -6.148 -3.853 1.00 0.00 H new ATOM 0 HB2 ALA A 864 5.242 -5.184 -3.458 1.00 0.00 H new ATOM 0 HB3 ALA A 864 4.836 -6.618 -2.485 1.00 0.00 H new ATOM 1647 N ASP A 865 2.647 -6.520 -0.570 1.00 0.00 N ATOM 1648 CA ASP A 865 1.606 -7.355 0.029 1.00 0.00 C ATOM 1649 C ASP A 865 0.461 -6.505 0.571 1.00 0.00 C ATOM 1650 O ASP A 865 -0.715 -6.798 0.335 1.00 0.00 O ATOM 1651 CB ASP A 865 2.199 -8.202 1.156 1.00 0.00 C ATOM 1652 CG ASP A 865 1.345 -9.405 1.496 1.00 0.00 C ATOM 1653 OD1 ASP A 865 0.465 -9.286 2.373 1.00 0.00 O ATOM 1654 OD2 ASP A 865 1.565 -10.484 0.902 1.00 0.00 O ATOM 0 H ASP A 865 3.567 -6.631 -0.144 1.00 0.00 H new ATOM 0 HA ASP A 865 1.209 -8.008 -0.748 1.00 0.00 H new ATOM 0 HB2 ASP A 865 3.194 -8.539 0.866 1.00 0.00 H new ATOM 0 HB3 ASP A 865 2.318 -7.583 2.045 1.00 0.00 H new ATOM 1659 N ALA A 866 0.808 -5.450 1.293 1.00 0.00 N ATOM 1660 CA ALA A 866 -0.189 -4.549 1.853 1.00 0.00 C ATOM 1661 C ALA A 866 -0.872 -3.746 0.752 1.00 0.00 C ATOM 1662 O ALA A 866 -2.068 -3.478 0.826 1.00 0.00 O ATOM 1663 CB ALA A 866 0.450 -3.622 2.875 1.00 0.00 C ATOM 0 H ALA A 866 1.773 -5.196 1.505 1.00 0.00 H new ATOM 0 HA ALA A 866 -0.949 -5.147 2.356 1.00 0.00 H new ATOM 0 HB1 ALA A 866 -0.308 -2.954 3.285 1.00 0.00 H new ATOM 0 HB2 ALA A 866 0.886 -4.213 3.680 1.00 0.00 H new ATOM 0 HB3 ALA A 866 1.231 -3.033 2.394 1.00 0.00 H new ATOM 1669 N THR A 867 -0.113 -3.379 -0.275 1.00 0.00 N ATOM 1670 CA THR A 867 -0.655 -2.610 -1.388 1.00 0.00 C ATOM 1671 C THR A 867 -1.691 -3.420 -2.167 1.00 0.00 C ATOM 1672 O THR A 867 -2.717 -2.885 -2.591 1.00 0.00 O ATOM 1673 CB THR A 867 0.465 -2.134 -2.335 1.00 0.00 C ATOM 1674 OG1 THR A 867 1.346 -1.251 -1.631 1.00 0.00 O ATOM 1675 CG2 THR A 867 -0.104 -1.417 -3.552 1.00 0.00 C ATOM 0 H THR A 867 0.879 -3.602 -0.359 1.00 0.00 H new ATOM 0 HA THR A 867 -1.147 -1.733 -0.967 1.00 0.00 H new ATOM 0 HB THR A 867 1.011 -3.012 -2.680 1.00 0.00 H new ATOM 0 HG1 THR A 867 1.818 -1.749 -0.931 1.00 0.00 H new ATOM 0 HG21 THR A 867 0.712 -1.095 -4.199 1.00 0.00 H new ATOM 0 HG22 THR A 867 -0.757 -2.095 -4.102 1.00 0.00 H new ATOM 0 HG23 THR A 867 -0.675 -0.547 -3.228 1.00 0.00 H new ATOM 1683 N ALA A 868 -1.431 -4.713 -2.346 1.00 0.00 N ATOM 1684 CA ALA A 868 -2.392 -5.586 -3.007 1.00 0.00 C ATOM 1685 C ALA A 868 -3.668 -5.673 -2.190 1.00 0.00 C ATOM 1686 O ALA A 868 -4.766 -5.627 -2.734 1.00 0.00 O ATOM 1687 CB ALA A 868 -1.822 -6.975 -3.218 1.00 0.00 C ATOM 0 H ALA A 868 -0.572 -5.174 -2.046 1.00 0.00 H new ATOM 0 HA ALA A 868 -2.615 -5.157 -3.984 1.00 0.00 H new ATOM 0 HB1 ALA A 868 -2.564 -7.601 -3.713 1.00 0.00 H new ATOM 0 HB2 ALA A 868 -0.928 -6.911 -3.839 1.00 0.00 H new ATOM 0 HB3 ALA A 868 -1.563 -7.412 -2.254 1.00 0.00 H new ATOM 1693 N LYS A 869 -3.513 -5.789 -0.877 1.00 0.00 N ATOM 1694 CA LYS A 869 -4.654 -5.834 0.022 1.00 0.00 C ATOM 1695 C LYS A 869 -5.394 -4.503 0.000 1.00 0.00 C ATOM 1696 O LYS A 869 -6.618 -4.464 0.090 1.00 0.00 O ATOM 1697 CB LYS A 869 -4.206 -6.167 1.444 1.00 0.00 C ATOM 1698 CG LYS A 869 -4.498 -7.602 1.848 1.00 0.00 C ATOM 1699 CD LYS A 869 -5.818 -7.709 2.593 1.00 0.00 C ATOM 1700 CE LYS A 869 -6.455 -9.078 2.406 1.00 0.00 C ATOM 1701 NZ LYS A 869 -7.858 -8.977 1.922 1.00 0.00 N ATOM 0 H LYS A 869 -2.607 -5.853 -0.413 1.00 0.00 H new ATOM 0 HA LYS A 869 -5.330 -6.618 -0.318 1.00 0.00 H new ATOM 0 HB2 LYS A 869 -3.135 -5.983 1.532 1.00 0.00 H new ATOM 0 HB3 LYS A 869 -4.703 -5.493 2.141 1.00 0.00 H new ATOM 0 HG2 LYS A 869 -4.527 -8.233 0.960 1.00 0.00 H new ATOM 0 HG3 LYS A 869 -3.691 -7.976 2.478 1.00 0.00 H new ATOM 0 HD2 LYS A 869 -5.654 -7.525 3.655 1.00 0.00 H new ATOM 0 HD3 LYS A 869 -6.501 -6.937 2.238 1.00 0.00 H new ATOM 0 HE2 LYS A 869 -5.867 -9.658 1.695 1.00 0.00 H new ATOM 0 HE3 LYS A 869 -6.436 -9.619 3.352 1.00 0.00 H new ATOM 0 HZ1 LYS A 869 -8.340 -9.887 2.063 1.00 0.00 H new ATOM 0 HZ2 LYS A 869 -8.356 -8.235 2.454 1.00 0.00 H new ATOM 0 HZ3 LYS A 869 -7.860 -8.738 0.910 1.00 0.00 H new ATOM 1715 N MET A 870 -4.640 -3.419 -0.134 1.00 0.00 N ATOM 1716 CA MET A 870 -5.219 -2.086 -0.239 1.00 0.00 C ATOM 1717 C MET A 870 -6.056 -1.966 -1.508 1.00 0.00 C ATOM 1718 O MET A 870 -7.205 -1.529 -1.469 1.00 0.00 O ATOM 1719 CB MET A 870 -4.117 -1.023 -0.234 1.00 0.00 C ATOM 1720 CG MET A 870 -4.384 0.131 0.721 1.00 0.00 C ATOM 1721 SD MET A 870 -6.139 0.374 1.054 1.00 0.00 S ATOM 1722 CE MET A 870 -6.524 1.655 -0.133 1.00 0.00 C ATOM 0 H MET A 870 -3.621 -3.438 -0.173 1.00 0.00 H new ATOM 0 HA MET A 870 -5.866 -1.924 0.623 1.00 0.00 H new ATOM 0 HB2 MET A 870 -3.171 -1.494 0.035 1.00 0.00 H new ATOM 0 HB3 MET A 870 -4.001 -0.628 -1.243 1.00 0.00 H new ATOM 0 HG2 MET A 870 -3.863 -0.054 1.661 1.00 0.00 H new ATOM 0 HG3 MET A 870 -3.969 1.047 0.301 1.00 0.00 H new ATOM 0 HE1 MET A 870 -7.601 1.686 -0.299 1.00 0.00 H new ATOM 0 HE2 MET A 870 -6.188 2.619 0.250 1.00 0.00 H new ATOM 0 HE3 MET A 870 -6.018 1.443 -1.075 1.00 0.00 H new ATOM 1732 N VAL A 871 -5.478 -2.374 -2.633 1.00 0.00 N ATOM 1733 CA VAL A 871 -6.179 -2.336 -3.908 1.00 0.00 C ATOM 1734 C VAL A 871 -7.369 -3.300 -3.894 1.00 0.00 C ATOM 1735 O VAL A 871 -8.411 -3.032 -4.494 1.00 0.00 O ATOM 1736 CB VAL A 871 -5.216 -2.652 -5.088 1.00 0.00 C ATOM 1737 CG1 VAL A 871 -5.431 -4.048 -5.658 1.00 0.00 C ATOM 1738 CG2 VAL A 871 -5.357 -1.605 -6.182 1.00 0.00 C ATOM 0 H VAL A 871 -4.525 -2.735 -2.686 1.00 0.00 H new ATOM 0 HA VAL A 871 -6.560 -1.326 -4.057 1.00 0.00 H new ATOM 0 HB VAL A 871 -4.202 -2.622 -4.690 1.00 0.00 H new ATOM 0 HG11 VAL A 871 -4.734 -4.217 -6.479 1.00 0.00 H new ATOM 0 HG12 VAL A 871 -5.260 -4.790 -4.878 1.00 0.00 H new ATOM 0 HG13 VAL A 871 -6.453 -4.137 -6.026 1.00 0.00 H new ATOM 0 HG21 VAL A 871 -4.677 -1.840 -7.001 1.00 0.00 H new ATOM 0 HG22 VAL A 871 -6.382 -1.601 -6.552 1.00 0.00 H new ATOM 0 HG23 VAL A 871 -5.113 -0.622 -5.779 1.00 0.00 H new ATOM 1748 N GLU A 872 -7.206 -4.410 -3.180 1.00 0.00 N ATOM 1749 CA GLU A 872 -8.255 -5.408 -3.041 1.00 0.00 C ATOM 1750 C GLU A 872 -9.412 -4.857 -2.209 1.00 0.00 C ATOM 1751 O GLU A 872 -10.582 -5.017 -2.566 1.00 0.00 O ATOM 1752 CB GLU A 872 -7.683 -6.673 -2.387 1.00 0.00 C ATOM 1753 CG GLU A 872 -8.450 -7.939 -2.729 1.00 0.00 C ATOM 1754 CD GLU A 872 -8.898 -8.693 -1.494 1.00 0.00 C ATOM 1755 OE1 GLU A 872 -8.033 -9.163 -0.729 1.00 0.00 O ATOM 1756 OE2 GLU A 872 -10.122 -8.814 -1.277 1.00 0.00 O ATOM 0 H GLU A 872 -6.345 -4.640 -2.684 1.00 0.00 H new ATOM 0 HA GLU A 872 -8.636 -5.660 -4.031 1.00 0.00 H new ATOM 0 HB2 GLU A 872 -6.645 -6.793 -2.696 1.00 0.00 H new ATOM 0 HB3 GLU A 872 -7.680 -6.542 -1.305 1.00 0.00 H new ATOM 0 HG2 GLU A 872 -9.322 -7.681 -3.330 1.00 0.00 H new ATOM 0 HG3 GLU A 872 -7.822 -8.588 -3.340 1.00 0.00 H new ATOM 1763 N ALA A 873 -9.072 -4.203 -1.104 1.00 0.00 N ATOM 1764 CA ALA A 873 -10.064 -3.627 -0.207 1.00 0.00 C ATOM 1765 C ALA A 873 -10.774 -2.445 -0.853 1.00 0.00 C ATOM 1766 O ALA A 873 -12.000 -2.348 -0.805 1.00 0.00 O ATOM 1767 CB ALA A 873 -9.408 -3.197 1.094 1.00 0.00 C ATOM 0 H ALA A 873 -8.107 -4.058 -0.807 1.00 0.00 H new ATOM 0 HA ALA A 873 -10.810 -4.393 0.005 1.00 0.00 H new ATOM 0 HB1 ALA A 873 -10.160 -2.768 1.756 1.00 0.00 H new ATOM 0 HB2 ALA A 873 -8.952 -4.062 1.575 1.00 0.00 H new ATOM 0 HB3 ALA A 873 -8.640 -2.452 0.885 1.00 0.00 H new ATOM 1773 N ALA A 874 -9.997 -1.556 -1.464 1.00 0.00 N ATOM 1774 CA ALA A 874 -10.548 -0.366 -2.102 1.00 0.00 C ATOM 1775 C ALA A 874 -11.534 -0.737 -3.202 1.00 0.00 C ATOM 1776 O ALA A 874 -12.577 -0.106 -3.343 1.00 0.00 O ATOM 1777 CB ALA A 874 -9.433 0.502 -2.663 1.00 0.00 C ATOM 0 H ALA A 874 -8.982 -1.638 -1.531 1.00 0.00 H new ATOM 0 HA ALA A 874 -11.087 0.201 -1.343 1.00 0.00 H new ATOM 0 HB1 ALA A 874 -9.862 1.385 -3.135 1.00 0.00 H new ATOM 0 HB2 ALA A 874 -8.769 0.809 -1.855 1.00 0.00 H new ATOM 0 HB3 ALA A 874 -8.867 -0.065 -3.402 1.00 0.00 H new ATOM 1783 N LYS A 875 -11.201 -1.769 -3.969 1.00 0.00 N ATOM 1784 CA LYS A 875 -12.064 -2.227 -5.052 1.00 0.00 C ATOM 1785 C LYS A 875 -13.294 -2.945 -4.503 1.00 0.00 C ATOM 1786 O LYS A 875 -14.396 -2.803 -5.034 1.00 0.00 O ATOM 1787 CB LYS A 875 -11.295 -3.158 -5.987 1.00 0.00 C ATOM 1788 CG LYS A 875 -10.480 -2.427 -7.041 1.00 0.00 C ATOM 1789 CD LYS A 875 -9.650 -3.395 -7.865 1.00 0.00 C ATOM 1790 CE LYS A 875 -8.304 -2.800 -8.238 1.00 0.00 C ATOM 1791 NZ LYS A 875 -7.629 -3.588 -9.302 1.00 0.00 N ATOM 0 H LYS A 875 -10.340 -2.305 -3.861 1.00 0.00 H new ATOM 0 HA LYS A 875 -12.395 -1.352 -5.612 1.00 0.00 H new ATOM 0 HB2 LYS A 875 -10.628 -3.784 -5.394 1.00 0.00 H new ATOM 0 HB3 LYS A 875 -12.001 -3.824 -6.483 1.00 0.00 H new ATOM 0 HG2 LYS A 875 -11.147 -1.867 -7.696 1.00 0.00 H new ATOM 0 HG3 LYS A 875 -9.825 -1.702 -6.559 1.00 0.00 H new ATOM 0 HD2 LYS A 875 -9.498 -4.316 -7.302 1.00 0.00 H new ATOM 0 HD3 LYS A 875 -10.194 -3.662 -8.771 1.00 0.00 H new ATOM 0 HE2 LYS A 875 -8.442 -1.773 -8.578 1.00 0.00 H new ATOM 0 HE3 LYS A 875 -7.666 -2.761 -7.355 1.00 0.00 H new ATOM 0 HZ1 LYS A 875 -6.713 -3.151 -9.530 1.00 0.00 H new ATOM 0 HZ2 LYS A 875 -7.475 -4.561 -8.969 1.00 0.00 H new ATOM 0 HZ3 LYS A 875 -8.226 -3.604 -10.153 1.00 0.00 H new ATOM 1805 N GLY A 876 -13.097 -3.705 -3.431 1.00 0.00 N ATOM 1806 CA GLY A 876 -14.189 -4.453 -2.836 1.00 0.00 C ATOM 1807 C GLY A 876 -15.207 -3.553 -2.165 1.00 0.00 C ATOM 1808 O GLY A 876 -16.399 -3.852 -2.151 1.00 0.00 O ATOM 0 H GLY A 876 -12.198 -3.816 -2.962 1.00 0.00 H new ATOM 0 HA2 GLY A 876 -14.683 -5.045 -3.607 1.00 0.00 H new ATOM 0 HA3 GLY A 876 -13.789 -5.154 -2.103 1.00 0.00 H new