USER MOD reduce.3.24.130724 H: found=0, std=0, add=579, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 575 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 61 SER OG : rot -160:sc= 0 USER MOD Set 1.2: A 63 CYS SG : rot 157:sc= -1.93! USER MOD Set 1.3: A 68 ASN : amide:sc= -5.99! C(o=-7.9!,f=-10!) USER MOD Single : A 6 HIS : no HD1:sc=-0.00533 X(o=-0.0053,f=-0.25) USER MOD Single : A 7 HIS : no HD1:sc= -0.0793 X(o=-0.079,f=-0.11) USER MOD Single : A 8 HIS : no HD1:sc= -0.196 X(o=-0.2,f=-0.24) USER MOD Single : A 9 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 10 HIS : no HE2:sc= 0.611 K(o=0.61,f=-2.9!) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 MET CE :methyl 170:sc= 0 (180deg=-0.12) USER MOD Single : A 44 THR OG1 : rot -70:sc= -0.747 USER MOD Single : A 48 MET CE :methyl -163:sc= -0.0772 (180deg=-0.524) USER MOD Single : A 50 GLN : amide:sc= -0.391 X(o=-0.39,f=-0.1) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 158:sc= -0.0631 (180deg=-0.354) USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=-0.37) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 69 ASN : amide:sc= -0.0407 K(o=-0.041,f=-1.4!) USER MOD Single : A 76 ASN : amide:sc= -0.183 K(o=-0.18,f=-1.5) USER MOD Single : A 77 HIS : no HD1:sc= -0.113 X(o=-0.11,f=-0.28) USER MOD Single : A 79 TYR OH : rot 1:sc= -0.402 USER MOD Single : A 80 THR OG1 : rot 120:sc= 0 USER MOD Single : A 85 GLN : amide:sc= -0.02 X(o=-0.02,f=-0.29) USER MOD Single : A 86 GLN : amide:sc= 0 X(o=0,f=-0.093) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 TYR OH : rot -175:sc= -1.76! USER MOD Single : A 96 GLN : amide:sc= -0.705 K(o=-0.7,f=0) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 66 N HIS A 6 -36.352 14.473 -12.177 1.00 0.00 N ATOM 67 CA HIS A 6 -35.673 13.357 -11.529 1.00 0.00 C ATOM 68 C HIS A 6 -34.206 13.299 -11.942 1.00 0.00 C ATOM 69 O HIS A 6 -33.843 13.723 -13.039 1.00 0.00 O ATOM 70 CB HIS A 6 -36.367 12.038 -11.880 1.00 0.00 C ATOM 71 CG HIS A 6 -36.428 11.765 -13.350 1.00 0.00 C ATOM 72 ND1 HIS A 6 -35.397 11.134 -14.006 1.00 0.00 N ATOM 73 CD2 HIS A 6 -37.409 12.053 -14.241 1.00 0.00 C ATOM 74 CE1 HIS A 6 -35.769 11.052 -15.271 1.00 0.00 C ATOM 75 NE2 HIS A 6 -36.980 11.596 -15.459 1.00 0.00 N ATOM 0 HA HIS A 6 -35.722 13.510 -10.451 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -35.842 11.219 -11.388 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -37.381 12.053 -11.479 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -38.346 12.547 -14.031 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -35.174 10.604 -16.053 1.00 0.00 H new ATOM 0 HE2 HIS A 6 -37.486 11.658 -16.342 1.00 0.00 H new ATOM 83 N HIS A 7 -33.367 12.775 -11.053 1.00 0.00 N ATOM 84 CA HIS A 7 -31.938 12.659 -11.325 1.00 0.00 C ATOM 85 C HIS A 7 -31.527 11.197 -11.458 1.00 0.00 C ATOM 86 O HIS A 7 -31.913 10.358 -10.643 1.00 0.00 O ATOM 87 CB HIS A 7 -31.124 13.329 -10.214 1.00 0.00 C ATOM 88 CG HIS A 7 -31.905 13.596 -8.964 1.00 0.00 C ATOM 89 ND1 HIS A 7 -32.588 14.776 -8.783 1.00 0.00 N ATOM 90 CD2 HIS A 7 -32.078 12.813 -7.871 1.00 0.00 C ATOM 91 CE1 HIS A 7 -33.158 14.686 -7.595 1.00 0.00 C ATOM 92 NE2 HIS A 7 -32.877 13.515 -7.007 1.00 0.00 N ATOM 0 H HIS A 7 -33.652 12.424 -10.139 1.00 0.00 H new ATOM 0 HA HIS A 7 -31.734 13.165 -12.269 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -30.272 12.695 -9.969 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -30.724 14.271 -10.588 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -31.666 11.827 -7.712 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -33.772 15.457 -7.154 1.00 0.00 H new ATOM 0 HE2 HIS A 7 -33.197 13.205 -6.090 1.00 0.00 H new ATOM 100 N HIS A 8 -30.746 10.897 -12.491 1.00 0.00 N ATOM 101 CA HIS A 8 -30.287 9.534 -12.733 1.00 0.00 C ATOM 102 C HIS A 8 -28.850 9.347 -12.257 1.00 0.00 C ATOM 103 O HIS A 8 -28.311 8.241 -12.300 1.00 0.00 O ATOM 104 CB HIS A 8 -30.391 9.195 -14.222 1.00 0.00 C ATOM 105 CG HIS A 8 -29.614 10.124 -15.103 1.00 0.00 C ATOM 106 ND1 HIS A 8 -28.303 9.872 -15.430 1.00 0.00 N ATOM 107 CD2 HIS A 8 -30.006 11.278 -15.696 1.00 0.00 C ATOM 108 CE1 HIS A 8 -27.926 10.872 -16.209 1.00 0.00 C ATOM 109 NE2 HIS A 8 -28.925 11.747 -16.396 1.00 0.00 N ATOM 0 H HIS A 8 -30.418 11.580 -13.174 1.00 0.00 H new ATOM 0 HA HIS A 8 -30.927 8.858 -12.167 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -30.037 8.176 -14.380 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -31.439 9.218 -14.519 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -30.981 11.738 -15.630 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -26.940 10.971 -16.639 1.00 0.00 H new ATOM 0 HE2 HIS A 8 -28.887 12.600 -16.954 1.00 0.00 H new ATOM 117 N HIS A 9 -28.235 10.436 -11.804 1.00 0.00 N ATOM 118 CA HIS A 9 -26.860 10.391 -11.320 1.00 0.00 C ATOM 119 C HIS A 9 -26.731 9.449 -10.128 1.00 0.00 C ATOM 120 O HIS A 9 -27.494 9.542 -9.166 1.00 0.00 O ATOM 121 CB HIS A 9 -26.389 11.795 -10.929 1.00 0.00 C ATOM 122 CG HIS A 9 -24.939 11.863 -10.562 1.00 0.00 C ATOM 123 ND1 HIS A 9 -24.534 11.912 -9.249 1.00 0.00 N ATOM 124 CD2 HIS A 9 -23.846 11.890 -11.364 1.00 0.00 C ATOM 125 CE1 HIS A 9 -23.213 11.965 -9.280 1.00 0.00 C ATOM 126 NE2 HIS A 9 -22.754 11.954 -10.539 1.00 0.00 N ATOM 0 H HIS A 9 -28.667 11.359 -11.762 1.00 0.00 H new ATOM 0 HA HIS A 9 -26.230 10.014 -12.126 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -26.577 12.476 -11.759 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -26.985 12.147 -10.087 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -23.838 11.866 -12.444 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -22.585 12.011 -8.403 1.00 0.00 H new ATOM 0 HE2 HIS A 9 -21.776 11.987 -10.828 1.00 0.00 H new ATOM 134 N HIS A 10 -25.763 8.542 -10.201 1.00 0.00 N ATOM 135 CA HIS A 10 -25.532 7.582 -9.128 1.00 0.00 C ATOM 136 C HIS A 10 -24.074 7.608 -8.679 1.00 0.00 C ATOM 137 O HIS A 10 -23.277 8.404 -9.174 1.00 0.00 O ATOM 138 CB HIS A 10 -25.910 6.171 -9.585 1.00 0.00 C ATOM 139 CG HIS A 10 -25.452 5.847 -10.972 1.00 0.00 C ATOM 140 ND1 HIS A 10 -26.145 6.281 -12.077 1.00 0.00 N ATOM 141 CD2 HIS A 10 -24.373 5.133 -11.379 1.00 0.00 C ATOM 142 CE1 HIS A 10 -25.480 5.827 -13.124 1.00 0.00 C ATOM 143 NE2 HIS A 10 -24.400 5.128 -12.748 1.00 0.00 N ATOM 0 H HIS A 10 -25.126 8.451 -10.992 1.00 0.00 H new ATOM 0 HA HIS A 10 -26.160 7.863 -8.283 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -25.482 5.447 -8.892 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -26.993 6.060 -9.534 1.00 0.00 H new ATOM 0 HD1 HIS A 10 -26.998 6.840 -12.086 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -23.636 4.660 -10.746 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -25.769 5.997 -14.151 1.00 0.00 H new ATOM 151 N SER A 11 -23.734 6.732 -7.739 1.00 0.00 N ATOM 152 CA SER A 11 -22.372 6.655 -7.223 1.00 0.00 C ATOM 153 C SER A 11 -21.843 5.226 -7.295 1.00 0.00 C ATOM 154 O SER A 11 -22.606 4.280 -7.489 1.00 0.00 O ATOM 155 CB SER A 11 -22.324 7.155 -5.778 1.00 0.00 C ATOM 156 OG SER A 11 -23.587 7.023 -5.150 1.00 0.00 O ATOM 0 H SER A 11 -24.382 6.066 -7.319 1.00 0.00 H new ATOM 0 HA SER A 11 -21.739 7.290 -7.843 1.00 0.00 H new ATOM 0 HB2 SER A 11 -21.576 6.592 -5.220 1.00 0.00 H new ATOM 0 HB3 SER A 11 -22.014 8.200 -5.762 1.00 0.00 H new ATOM 0 HG SER A 11 -23.529 7.348 -4.227 1.00 0.00 H new ATOM 162 N SER A 12 -20.531 5.078 -7.136 1.00 0.00 N ATOM 163 CA SER A 12 -19.899 3.765 -7.183 1.00 0.00 C ATOM 164 C SER A 12 -19.264 3.418 -5.840 1.00 0.00 C ATOM 165 O SER A 12 -19.830 2.660 -5.053 1.00 0.00 O ATOM 166 CB SER A 12 -18.841 3.725 -8.288 1.00 0.00 C ATOM 167 OG SER A 12 -18.472 2.391 -8.595 1.00 0.00 O ATOM 0 H SER A 12 -19.886 5.851 -6.974 1.00 0.00 H new ATOM 0 HA SER A 12 -20.670 3.025 -7.401 1.00 0.00 H new ATOM 0 HB2 SER A 12 -19.227 4.214 -9.183 1.00 0.00 H new ATOM 0 HB3 SER A 12 -17.961 4.286 -7.973 1.00 0.00 H new ATOM 0 HG SER A 12 -17.796 2.394 -9.305 1.00 0.00 H new ATOM 173 N GLY A 13 -18.085 3.979 -5.585 1.00 0.00 N ATOM 174 CA GLY A 13 -17.392 3.718 -4.337 1.00 0.00 C ATOM 175 C GLY A 13 -17.554 4.845 -3.337 1.00 0.00 C ATOM 176 O GLY A 13 -18.670 5.166 -2.928 1.00 0.00 O ATOM 0 H GLY A 13 -17.598 4.610 -6.221 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -17.770 2.793 -3.902 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -16.332 3.565 -4.539 1.00 0.00 H new ATOM 390 N ASP A 27 1.054 3.806 -4.006 1.00 0.00 N ATOM 391 CA ASP A 27 0.115 3.172 -4.922 1.00 0.00 C ATOM 392 C ASP A 27 -0.959 2.396 -4.168 1.00 0.00 C ATOM 393 O ASP A 27 -2.100 2.848 -4.066 1.00 0.00 O ATOM 394 CB ASP A 27 0.851 2.240 -5.885 1.00 0.00 C ATOM 395 CG ASP A 27 0.046 1.950 -7.136 1.00 0.00 C ATOM 396 OD1 ASP A 27 -0.435 2.914 -7.769 1.00 0.00 O ATOM 397 OD2 ASP A 27 -0.106 0.760 -7.482 1.00 0.00 O ATOM 0 HA ASP A 27 -0.372 3.962 -5.493 1.00 0.00 H new ATOM 0 HB2 ASP A 27 1.803 2.690 -6.165 1.00 0.00 H new ATOM 0 HB3 ASP A 27 1.078 1.303 -5.377 1.00 0.00 H new ATOM 402 N TYR A 28 -0.606 1.213 -3.666 1.00 0.00 N ATOM 403 CA TYR A 28 -1.575 0.384 -2.952 1.00 0.00 C ATOM 404 C TYR A 28 -0.994 -0.184 -1.662 1.00 0.00 C ATOM 405 O TYR A 28 0.221 -0.196 -1.466 1.00 0.00 O ATOM 406 CB TYR A 28 -2.063 -0.750 -3.853 1.00 0.00 C ATOM 407 CG TYR A 28 -3.205 -0.348 -4.759 1.00 0.00 C ATOM 408 CD1 TYR A 28 -4.523 -0.442 -4.331 1.00 0.00 C ATOM 409 CD2 TYR A 28 -2.964 0.130 -6.041 1.00 0.00 C ATOM 410 CE1 TYR A 28 -5.569 -0.074 -5.155 1.00 0.00 C ATOM 411 CE2 TYR A 28 -4.005 0.501 -6.871 1.00 0.00 C ATOM 412 CZ TYR A 28 -5.305 0.396 -6.424 1.00 0.00 C ATOM 413 OH TYR A 28 -6.344 0.765 -7.246 1.00 0.00 O ATOM 0 H TYR A 28 0.329 0.812 -3.739 1.00 0.00 H new ATOM 0 HA TYR A 28 -2.418 1.020 -2.682 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -1.232 -1.103 -4.463 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -2.380 -1.587 -3.231 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -4.734 -0.809 -3.337 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -1.947 0.213 -6.395 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -6.588 -0.154 -4.807 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -3.801 0.871 -7.865 1.00 0.00 H new ATOM 0 HH TYR A 28 -5.988 1.075 -8.105 1.00 0.00 H new ATOM 423 N ARG A 29 -1.878 -0.630 -0.771 1.00 0.00 N ATOM 424 CA ARG A 29 -1.459 -1.206 0.502 1.00 0.00 C ATOM 425 C ARG A 29 -2.233 -2.486 0.815 1.00 0.00 C ATOM 426 O ARG A 29 -3.464 -2.495 0.810 1.00 0.00 O ATOM 427 CB ARG A 29 -1.649 -0.195 1.637 1.00 0.00 C ATOM 428 CG ARG A 29 -2.539 0.983 1.270 1.00 0.00 C ATOM 429 CD ARG A 29 -3.388 1.428 2.449 1.00 0.00 C ATOM 430 NE ARG A 29 -4.808 1.162 2.234 1.00 0.00 N ATOM 431 CZ ARG A 29 -5.784 1.914 2.732 1.00 0.00 C ATOM 432 NH1 ARG A 29 -5.494 2.977 3.472 1.00 0.00 N ATOM 433 NH2 ARG A 29 -7.051 1.606 2.492 1.00 0.00 N ATOM 0 H ARG A 29 -2.888 -0.603 -0.909 1.00 0.00 H new ATOM 0 HA ARG A 29 -0.401 -1.456 0.418 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -2.077 -0.707 2.499 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -0.673 0.181 1.943 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -1.922 1.815 0.930 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -3.186 0.706 0.438 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -3.055 0.913 3.350 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -3.241 2.495 2.619 1.00 0.00 H new ATOM 0 HE ARG A 29 -5.065 0.353 1.669 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -4.521 3.218 3.659 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -6.244 3.553 3.853 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -7.279 0.790 1.924 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -7.798 2.185 2.876 1.00 0.00 H new ATOM 447 N LEU A 30 -1.503 -3.559 1.110 1.00 0.00 N ATOM 448 CA LEU A 30 -2.115 -4.840 1.450 1.00 0.00 C ATOM 449 C LEU A 30 -1.749 -5.248 2.876 1.00 0.00 C ATOM 450 O LEU A 30 -0.831 -6.040 3.089 1.00 0.00 O ATOM 451 CB LEU A 30 -1.664 -5.922 0.458 1.00 0.00 C ATOM 452 CG LEU A 30 -2.635 -7.096 0.265 1.00 0.00 C ATOM 453 CD1 LEU A 30 -2.530 -8.074 1.428 1.00 0.00 C ATOM 454 CD2 LEU A 30 -4.065 -6.597 0.113 1.00 0.00 C ATOM 0 H LEU A 30 -0.483 -3.566 1.120 1.00 0.00 H new ATOM 0 HA LEU A 30 -3.198 -4.733 1.388 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -1.494 -5.452 -0.511 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -0.705 -6.319 0.793 1.00 0.00 H new ATOM 0 HG LEU A 30 -2.359 -7.618 -0.651 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -3.225 -8.899 1.274 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -1.513 -8.462 1.486 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -2.776 -7.561 2.358 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -4.734 -7.447 -0.022 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -4.355 -6.046 1.007 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -4.131 -5.941 -0.755 1.00 0.00 H new ATOM 466 N ASP A 31 -2.475 -4.704 3.851 1.00 0.00 N ATOM 467 CA ASP A 31 -2.205 -4.991 5.257 1.00 0.00 C ATOM 468 C ASP A 31 -3.224 -5.973 5.833 1.00 0.00 C ATOM 469 O ASP A 31 -4.053 -5.606 6.668 1.00 0.00 O ATOM 470 CB ASP A 31 -2.216 -3.693 6.069 1.00 0.00 C ATOM 471 CG ASP A 31 -3.255 -2.708 5.573 1.00 0.00 C ATOM 472 OD1 ASP A 31 -4.411 -2.777 6.042 1.00 0.00 O ATOM 473 OD2 ASP A 31 -2.913 -1.865 4.716 1.00 0.00 O ATOM 0 H ASP A 31 -3.253 -4.063 3.693 1.00 0.00 H new ATOM 0 HA ASP A 31 -1.219 -5.452 5.321 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -2.410 -3.925 7.116 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -1.230 -3.231 6.023 1.00 0.00 H new ATOM 478 N MET A 32 -3.187 -7.211 5.347 1.00 0.00 N ATOM 479 CA MET A 32 -4.096 -8.251 5.823 1.00 0.00 C ATOM 480 C MET A 32 -3.360 -9.579 6.032 1.00 0.00 C ATOM 481 O MET A 32 -2.582 -9.734 6.975 1.00 0.00 O ATOM 482 CB MET A 32 -5.257 -8.429 4.838 1.00 0.00 C ATOM 483 CG MET A 32 -6.087 -7.172 4.637 1.00 0.00 C ATOM 484 SD MET A 32 -7.428 -7.408 3.455 1.00 0.00 S ATOM 485 CE MET A 32 -8.563 -8.402 4.421 1.00 0.00 C ATOM 0 H MET A 32 -2.537 -7.519 4.624 1.00 0.00 H new ATOM 0 HA MET A 32 -4.496 -7.937 6.787 1.00 0.00 H new ATOM 0 HB2 MET A 32 -4.859 -8.748 3.875 1.00 0.00 H new ATOM 0 HB3 MET A 32 -5.906 -9.229 5.196 1.00 0.00 H new ATOM 0 HG2 MET A 32 -6.503 -6.859 5.595 1.00 0.00 H new ATOM 0 HG3 MET A 32 -5.440 -6.366 4.291 1.00 0.00 H new ATOM 0 HE1 MET A 32 -9.515 -8.482 3.896 1.00 0.00 H new ATOM 0 HE2 MET A 32 -8.143 -9.398 4.564 1.00 0.00 H new ATOM 0 HE3 MET A 32 -8.723 -7.932 5.392 1.00 0.00 H new ATOM 495 N VAL A 33 -3.649 -10.552 5.169 1.00 0.00 N ATOM 496 CA VAL A 33 -3.013 -11.863 5.238 1.00 0.00 C ATOM 497 C VAL A 33 -2.584 -12.322 3.848 1.00 0.00 C ATOM 498 O VAL A 33 -3.212 -11.972 2.849 1.00 0.00 O ATOM 499 CB VAL A 33 -3.954 -12.922 5.850 1.00 0.00 C ATOM 500 CG1 VAL A 33 -3.194 -14.204 6.153 1.00 0.00 C ATOM 501 CG2 VAL A 33 -4.628 -12.386 7.103 1.00 0.00 C ATOM 0 H VAL A 33 -4.324 -10.454 4.410 1.00 0.00 H new ATOM 0 HA VAL A 33 -2.139 -11.762 5.881 1.00 0.00 H new ATOM 0 HB VAL A 33 -4.730 -13.150 5.120 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -3.875 -14.938 6.584 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -2.768 -14.601 5.231 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -2.393 -13.993 6.861 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -5.286 -13.150 7.517 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -3.869 -12.123 7.840 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -5.212 -11.501 6.852 1.00 0.00 H new ATOM 511 N GLY A 34 -1.522 -13.117 3.791 1.00 0.00 N ATOM 512 CA GLY A 34 -1.039 -13.615 2.515 1.00 0.00 C ATOM 513 C GLY A 34 -1.771 -14.866 2.066 1.00 0.00 C ATOM 514 O GLY A 34 -1.148 -15.894 1.799 1.00 0.00 O ATOM 0 H GLY A 34 -0.987 -13.426 4.603 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -1.154 -12.839 1.758 1.00 0.00 H new ATOM 0 HA3 GLY A 34 0.027 -13.829 2.592 1.00 0.00 H new ATOM 518 N GLU A 35 -3.094 -14.776 1.978 1.00 0.00 N ATOM 519 CA GLU A 35 -3.912 -15.907 1.557 1.00 0.00 C ATOM 520 C GLU A 35 -4.599 -15.613 0.223 1.00 0.00 C ATOM 521 O GLU A 35 -5.303 -14.612 0.089 1.00 0.00 O ATOM 522 CB GLU A 35 -4.954 -16.229 2.632 1.00 0.00 C ATOM 523 CG GLU A 35 -6.139 -17.030 2.119 1.00 0.00 C ATOM 524 CD GLU A 35 -6.874 -17.760 3.226 1.00 0.00 C ATOM 525 OE1 GLU A 35 -6.205 -18.415 4.053 1.00 0.00 O ATOM 526 OE2 GLU A 35 -8.120 -17.676 3.267 1.00 0.00 O ATOM 0 H GLU A 35 -3.623 -13.931 2.193 1.00 0.00 H new ATOM 0 HA GLU A 35 -3.263 -16.772 1.422 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -4.472 -16.785 3.436 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -5.317 -15.296 3.063 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -6.831 -16.361 1.609 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -5.792 -17.753 1.381 1.00 0.00 H new ATOM 593 N PRO A 40 -6.105 -9.130 -3.160 1.00 0.00 N ATOM 594 CA PRO A 40 -4.957 -8.448 -2.570 1.00 0.00 C ATOM 595 C PRO A 40 -3.962 -7.941 -3.618 1.00 0.00 C ATOM 596 O PRO A 40 -4.112 -6.838 -4.142 1.00 0.00 O ATOM 597 CB PRO A 40 -4.331 -9.539 -1.703 1.00 0.00 C ATOM 598 CG PRO A 40 -4.645 -10.820 -2.406 1.00 0.00 C ATOM 599 CD PRO A 40 -5.909 -10.593 -3.202 1.00 0.00 C ATOM 0 HA PRO A 40 -5.245 -7.552 -2.021 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -3.255 -9.396 -1.605 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -4.747 -9.530 -0.695 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -3.824 -11.111 -3.062 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -4.782 -11.629 -1.689 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -5.805 -10.952 -4.226 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -6.756 -11.121 -2.764 1.00 0.00 H new ATOM 607 N ALA A 41 -2.952 -8.757 -3.921 1.00 0.00 N ATOM 608 CA ALA A 41 -1.919 -8.387 -4.885 1.00 0.00 C ATOM 609 C ALA A 41 -2.501 -8.022 -6.247 1.00 0.00 C ATOM 610 O ALA A 41 -1.774 -7.565 -7.128 1.00 0.00 O ATOM 611 CB ALA A 41 -0.916 -9.515 -5.048 1.00 0.00 C ATOM 0 H ALA A 41 -2.828 -9.682 -3.510 1.00 0.00 H new ATOM 0 HA ALA A 41 -1.419 -7.503 -4.488 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -0.153 -9.222 -5.770 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -0.445 -9.725 -4.088 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -1.428 -10.409 -5.404 1.00 0.00 H new ATOM 617 N VAL A 42 -3.797 -8.252 -6.428 1.00 0.00 N ATOM 618 CA VAL A 42 -4.455 -7.932 -7.689 1.00 0.00 C ATOM 619 C VAL A 42 -4.071 -6.531 -8.156 1.00 0.00 C ATOM 620 O VAL A 42 -3.950 -6.275 -9.353 1.00 0.00 O ATOM 621 CB VAL A 42 -5.989 -8.026 -7.570 1.00 0.00 C ATOM 622 CG1 VAL A 42 -6.650 -7.748 -8.911 1.00 0.00 C ATOM 623 CG2 VAL A 42 -6.399 -9.391 -7.040 1.00 0.00 C ATOM 0 H VAL A 42 -4.410 -8.657 -5.721 1.00 0.00 H new ATOM 0 HA VAL A 42 -4.119 -8.666 -8.421 1.00 0.00 H new ATOM 0 HB VAL A 42 -6.326 -7.268 -6.863 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -7.732 -7.819 -8.805 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -6.384 -6.746 -9.247 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -6.308 -8.479 -9.644 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -7.485 -9.440 -6.962 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -6.049 -10.166 -7.722 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -5.957 -9.547 -6.056 1.00 0.00 H new ATOM 633 N ALA A 43 -3.875 -5.631 -7.197 1.00 0.00 N ATOM 634 CA ALA A 43 -3.479 -4.261 -7.501 1.00 0.00 C ATOM 635 C ALA A 43 -2.022 -4.195 -7.947 1.00 0.00 C ATOM 636 O ALA A 43 -1.676 -3.447 -8.861 1.00 0.00 O ATOM 637 CB ALA A 43 -3.704 -3.368 -6.290 1.00 0.00 C ATOM 0 H ALA A 43 -3.984 -5.827 -6.202 1.00 0.00 H new ATOM 0 HA ALA A 43 -4.098 -3.904 -8.324 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -3.405 -2.348 -6.530 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -4.760 -3.382 -6.019 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -3.109 -3.734 -5.453 1.00 0.00 H new ATOM 643 N THR A 44 -1.172 -4.976 -7.284 1.00 0.00 N ATOM 644 CA THR A 44 0.255 -5.011 -7.593 1.00 0.00 C ATOM 645 C THR A 44 0.499 -5.267 -9.078 1.00 0.00 C ATOM 646 O THR A 44 1.262 -4.547 -9.724 1.00 0.00 O ATOM 647 CB THR A 44 0.946 -6.095 -6.763 1.00 0.00 C ATOM 648 OG1 THR A 44 0.217 -6.355 -5.578 1.00 0.00 O ATOM 649 CG2 THR A 44 2.359 -5.734 -6.365 1.00 0.00 C ATOM 0 H THR A 44 -1.450 -5.597 -6.524 1.00 0.00 H new ATOM 0 HA THR A 44 0.673 -4.036 -7.343 1.00 0.00 H new ATOM 0 HB THR A 44 0.983 -6.974 -7.406 1.00 0.00 H new ATOM 0 HG1 THR A 44 0.294 -5.589 -4.972 1.00 0.00 H new ATOM 0 HG21 THR A 44 2.790 -6.545 -5.779 1.00 0.00 H new ATOM 0 HG22 THR A 44 2.960 -5.574 -7.260 1.00 0.00 H new ATOM 0 HG23 THR A 44 2.347 -4.822 -5.768 1.00 0.00 H new ATOM 657 N LEU A 45 -0.145 -6.301 -9.609 1.00 0.00 N ATOM 658 CA LEU A 45 0.024 -6.670 -11.011 1.00 0.00 C ATOM 659 C LEU A 45 -0.499 -5.584 -11.944 1.00 0.00 C ATOM 660 O LEU A 45 0.229 -5.101 -12.812 1.00 0.00 O ATOM 661 CB LEU A 45 -0.683 -7.995 -11.301 1.00 0.00 C ATOM 662 CG LEU A 45 0.190 -9.057 -11.974 1.00 0.00 C ATOM 663 CD1 LEU A 45 1.337 -9.465 -11.060 1.00 0.00 C ATOM 664 CD2 LEU A 45 -0.646 -10.268 -12.357 1.00 0.00 C ATOM 0 H LEU A 45 -0.789 -6.899 -9.090 1.00 0.00 H new ATOM 0 HA LEU A 45 1.092 -6.785 -11.195 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -1.064 -8.400 -10.363 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -1.546 -7.798 -11.937 1.00 0.00 H new ATOM 0 HG LEU A 45 0.613 -8.630 -12.883 1.00 0.00 H new ATOM 0 HD11 LEU A 45 1.946 -10.221 -11.556 1.00 0.00 H new ATOM 0 HD12 LEU A 45 1.952 -8.593 -10.836 1.00 0.00 H new ATOM 0 HD13 LEU A 45 0.936 -9.874 -10.133 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.010 -11.013 -12.834 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -1.098 -10.696 -11.462 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -1.431 -9.964 -13.050 1.00 0.00 H new ATOM 676 N GLU A 46 -1.763 -5.206 -11.771 1.00 0.00 N ATOM 677 CA GLU A 46 -2.372 -4.175 -12.608 1.00 0.00 C ATOM 678 C GLU A 46 -1.612 -2.859 -12.488 1.00 0.00 C ATOM 679 O GLU A 46 -1.728 -1.981 -13.342 1.00 0.00 O ATOM 680 CB GLU A 46 -3.836 -3.968 -12.220 1.00 0.00 C ATOM 681 CG GLU A 46 -4.609 -5.266 -12.067 1.00 0.00 C ATOM 682 CD GLU A 46 -5.981 -5.062 -11.452 1.00 0.00 C ATOM 683 OE1 GLU A 46 -6.174 -4.045 -10.755 1.00 0.00 O ATOM 684 OE2 GLU A 46 -6.861 -5.922 -11.668 1.00 0.00 O ATOM 0 H GLU A 46 -2.384 -5.596 -11.062 1.00 0.00 H new ATOM 0 HA GLU A 46 -2.324 -4.510 -13.644 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -3.881 -3.414 -11.282 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -4.321 -3.352 -12.977 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -4.720 -5.735 -13.044 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -4.036 -5.954 -11.446 1.00 0.00 H new ATOM 691 N ALA A 47 -0.837 -2.731 -11.417 1.00 0.00 N ATOM 692 CA ALA A 47 -0.044 -1.529 -11.189 1.00 0.00 C ATOM 693 C ALA A 47 1.137 -1.465 -12.152 1.00 0.00 C ATOM 694 O ALA A 47 1.539 -0.384 -12.585 1.00 0.00 O ATOM 695 CB ALA A 47 0.443 -1.478 -9.749 1.00 0.00 C ATOM 0 H ALA A 47 -0.741 -3.444 -10.694 1.00 0.00 H new ATOM 0 HA ALA A 47 -0.680 -0.663 -11.373 1.00 0.00 H new ATOM 0 HB1 ALA A 47 1.033 -0.574 -9.596 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -0.414 -1.470 -9.075 1.00 0.00 H new ATOM 0 HB3 ALA A 47 1.059 -2.353 -9.542 1.00 0.00 H new ATOM 701 N MET A 48 1.687 -2.633 -12.486 1.00 0.00 N ATOM 702 CA MET A 48 2.828 -2.712 -13.393 1.00 0.00 C ATOM 703 C MET A 48 2.587 -1.886 -14.660 1.00 0.00 C ATOM 704 O MET A 48 3.374 -0.995 -14.974 1.00 0.00 O ATOM 705 CB MET A 48 3.133 -4.170 -13.753 1.00 0.00 C ATOM 706 CG MET A 48 4.409 -4.698 -13.119 1.00 0.00 C ATOM 707 SD MET A 48 5.860 -3.728 -13.567 1.00 0.00 S ATOM 708 CE MET A 48 5.884 -3.952 -15.344 1.00 0.00 C ATOM 0 H MET A 48 1.360 -3.536 -12.141 1.00 0.00 H new ATOM 0 HA MET A 48 3.693 -2.294 -12.878 1.00 0.00 H new ATOM 0 HB2 MET A 48 2.296 -4.795 -13.441 1.00 0.00 H new ATOM 0 HB3 MET A 48 3.211 -4.259 -14.836 1.00 0.00 H new ATOM 0 HG2 MET A 48 4.298 -4.699 -12.035 1.00 0.00 H new ATOM 0 HG3 MET A 48 4.560 -5.733 -13.425 1.00 0.00 H new ATOM 0 HE1 MET A 48 6.865 -3.678 -15.732 1.00 0.00 H new ATOM 0 HE2 MET A 48 5.678 -4.995 -15.582 1.00 0.00 H new ATOM 0 HE3 MET A 48 5.124 -3.319 -15.801 1.00 0.00 H new ATOM 718 N PRO A 49 1.486 -2.139 -15.402 1.00 0.00 N ATOM 719 CA PRO A 49 1.170 -1.371 -16.609 1.00 0.00 C ATOM 720 C PRO A 49 0.889 0.093 -16.284 1.00 0.00 C ATOM 721 O PRO A 49 1.266 0.992 -17.036 1.00 0.00 O ATOM 722 CB PRO A 49 -0.090 -2.047 -17.166 1.00 0.00 C ATOM 723 CG PRO A 49 -0.168 -3.367 -16.474 1.00 0.00 C ATOM 724 CD PRO A 49 0.463 -3.162 -15.128 1.00 0.00 C ATOM 0 HA PRO A 49 1.999 -1.366 -17.317 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -0.978 -1.447 -16.969 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -0.024 -2.173 -18.247 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -1.202 -3.696 -16.375 1.00 0.00 H new ATOM 0 HG3 PRO A 49 0.358 -4.136 -17.039 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -0.262 -2.822 -14.389 1.00 0.00 H new ATOM 0 HD3 PRO A 49 0.903 -4.082 -14.743 1.00 0.00 H new ATOM 732 N GLN A 50 0.227 0.318 -15.153 1.00 0.00 N ATOM 733 CA GLN A 50 -0.108 1.667 -14.710 1.00 0.00 C ATOM 734 C GLN A 50 1.127 2.411 -14.205 1.00 0.00 C ATOM 735 O GLN A 50 1.018 3.528 -13.701 1.00 0.00 O ATOM 736 CB GLN A 50 -1.167 1.611 -13.607 1.00 0.00 C ATOM 737 CG GLN A 50 -2.560 1.990 -14.082 1.00 0.00 C ATOM 738 CD GLN A 50 -3.026 3.318 -13.519 1.00 0.00 C ATOM 739 OE1 GLN A 50 -3.523 4.175 -14.249 1.00 0.00 O ATOM 740 NE2 GLN A 50 -2.865 3.497 -12.212 1.00 0.00 N ATOM 0 H GLN A 50 -0.089 -0.420 -14.524 1.00 0.00 H new ATOM 0 HA GLN A 50 -0.505 2.211 -15.567 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -1.195 0.603 -13.193 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -0.873 2.280 -12.798 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -2.568 2.038 -15.171 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -3.264 1.210 -13.792 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -2.448 2.760 -11.644 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -3.158 4.372 -11.777 1.00 0.00 H new ATOM 749 N LEU A 51 2.299 1.792 -14.360 1.00 0.00 N ATOM 750 CA LEU A 51 3.551 2.372 -13.899 1.00 0.00 C ATOM 751 C LEU A 51 3.644 3.862 -14.181 1.00 0.00 C ATOM 752 O LEU A 51 3.163 4.347 -15.204 1.00 0.00 O ATOM 753 CB LEU A 51 4.729 1.666 -14.562 1.00 0.00 C ATOM 754 CG LEU A 51 5.708 1.056 -13.575 1.00 0.00 C ATOM 755 CD1 LEU A 51 6.147 -0.327 -14.031 1.00 0.00 C ATOM 756 CD2 LEU A 51 6.913 1.965 -13.380 1.00 0.00 C ATOM 0 H LEU A 51 2.402 0.881 -14.806 1.00 0.00 H new ATOM 0 HA LEU A 51 3.582 2.235 -12.818 1.00 0.00 H new ATOM 0 HB2 LEU A 51 4.350 0.881 -15.216 1.00 0.00 H new ATOM 0 HB3 LEU A 51 5.260 2.378 -15.194 1.00 0.00 H new ATOM 0 HG LEU A 51 5.200 0.951 -12.616 1.00 0.00 H new ATOM 0 HD11 LEU A 51 6.848 -0.743 -13.308 1.00 0.00 H new ATOM 0 HD12 LEU A 51 5.276 -0.978 -14.108 1.00 0.00 H new ATOM 0 HD13 LEU A 51 6.632 -0.252 -15.004 1.00 0.00 H new ATOM 0 HD21 LEU A 51 7.602 1.509 -12.669 1.00 0.00 H new ATOM 0 HD22 LEU A 51 7.419 2.108 -14.335 1.00 0.00 H new ATOM 0 HD23 LEU A 51 6.582 2.930 -12.996 1.00 0.00 H new ATOM 768 N LYS A 52 4.291 4.577 -13.267 1.00 0.00 N ATOM 769 CA LYS A 52 4.485 6.008 -13.417 1.00 0.00 C ATOM 770 C LYS A 52 5.869 6.417 -12.925 1.00 0.00 C ATOM 771 O LYS A 52 6.722 5.568 -12.666 1.00 0.00 O ATOM 772 CB LYS A 52 3.408 6.781 -12.651 1.00 0.00 C ATOM 773 CG LYS A 52 1.989 6.383 -13.023 1.00 0.00 C ATOM 774 CD LYS A 52 1.051 7.580 -13.005 1.00 0.00 C ATOM 775 CE LYS A 52 -0.341 7.205 -13.484 1.00 0.00 C ATOM 776 NZ LYS A 52 -1.401 7.718 -12.571 1.00 0.00 N ATOM 0 H LYS A 52 4.689 4.185 -12.414 1.00 0.00 H new ATOM 0 HA LYS A 52 4.404 6.251 -14.476 1.00 0.00 H new ATOM 0 HB2 LYS A 52 3.552 6.624 -11.582 1.00 0.00 H new ATOM 0 HB3 LYS A 52 3.537 7.847 -12.837 1.00 0.00 H new ATOM 0 HG2 LYS A 52 1.985 5.931 -14.015 1.00 0.00 H new ATOM 0 HG3 LYS A 52 1.628 5.626 -12.327 1.00 0.00 H new ATOM 0 HD2 LYS A 52 0.993 7.982 -11.994 1.00 0.00 H new ATOM 0 HD3 LYS A 52 1.455 8.369 -13.639 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -0.500 7.605 -14.485 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -0.419 6.120 -13.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -2.335 7.441 -12.934 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -1.265 7.317 -11.621 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -1.343 8.755 -12.520 1.00 0.00 H new ATOM 790 N LYS A 53 6.085 7.721 -12.794 1.00 0.00 N ATOM 791 CA LYS A 53 7.366 8.240 -12.331 1.00 0.00 C ATOM 792 C LYS A 53 7.404 8.319 -10.807 1.00 0.00 C ATOM 793 O LYS A 53 8.172 9.095 -10.235 1.00 0.00 O ATOM 794 CB LYS A 53 7.629 9.622 -12.934 1.00 0.00 C ATOM 795 CG LYS A 53 8.039 9.577 -14.397 1.00 0.00 C ATOM 796 CD LYS A 53 7.451 10.742 -15.177 1.00 0.00 C ATOM 797 CE LYS A 53 7.125 10.348 -16.609 1.00 0.00 C ATOM 798 NZ LYS A 53 6.011 9.362 -16.675 1.00 0.00 N ATOM 0 H LYS A 53 5.390 8.438 -13.002 1.00 0.00 H new ATOM 0 HA LYS A 53 8.147 7.554 -12.659 1.00 0.00 H new ATOM 0 HB2 LYS A 53 6.730 10.230 -12.835 1.00 0.00 H new ATOM 0 HB3 LYS A 53 8.413 10.117 -12.360 1.00 0.00 H new ATOM 0 HG2 LYS A 53 9.126 9.599 -14.472 1.00 0.00 H new ATOM 0 HG3 LYS A 53 7.708 8.638 -14.840 1.00 0.00 H new ATOM 0 HD2 LYS A 53 6.546 11.094 -14.681 1.00 0.00 H new ATOM 0 HD3 LYS A 53 8.157 11.573 -15.179 1.00 0.00 H new ATOM 0 HE2 LYS A 53 6.856 11.238 -17.178 1.00 0.00 H new ATOM 0 HE3 LYS A 53 8.012 9.925 -17.080 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 5.573 9.396 -17.618 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 6.382 8.406 -16.500 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 5.299 9.594 -15.954 1.00 0.00 H new ATOM 812 N GLY A 54 6.574 7.509 -10.156 1.00 0.00 N ATOM 813 CA GLY A 54 6.528 7.501 -8.705 1.00 0.00 C ATOM 814 C GLY A 54 5.485 6.544 -8.164 1.00 0.00 C ATOM 815 O GLY A 54 4.302 6.878 -8.099 1.00 0.00 O ATOM 0 H GLY A 54 5.932 6.858 -10.608 1.00 0.00 H new ATOM 0 HA2 GLY A 54 7.508 7.225 -8.315 1.00 0.00 H new ATOM 0 HA3 GLY A 54 6.314 8.508 -8.346 1.00 0.00 H new ATOM 819 N GLU A 55 5.924 5.349 -7.779 1.00 0.00 N ATOM 820 CA GLU A 55 5.019 4.339 -7.238 1.00 0.00 C ATOM 821 C GLU A 55 5.565 3.764 -5.935 1.00 0.00 C ATOM 822 O GLU A 55 6.770 3.805 -5.687 1.00 0.00 O ATOM 823 CB GLU A 55 4.807 3.217 -8.255 1.00 0.00 C ATOM 824 CG GLU A 55 3.397 2.648 -8.243 1.00 0.00 C ATOM 825 CD GLU A 55 2.660 2.887 -9.546 1.00 0.00 C ATOM 826 OE1 GLU A 55 2.903 3.933 -10.183 1.00 0.00 O ATOM 827 OE2 GLU A 55 1.839 2.029 -9.928 1.00 0.00 O ATOM 0 H GLU A 55 6.900 5.056 -7.831 1.00 0.00 H new ATOM 0 HA GLU A 55 4.062 4.817 -7.031 1.00 0.00 H new ATOM 0 HB2 GLU A 55 5.030 3.595 -9.253 1.00 0.00 H new ATOM 0 HB3 GLU A 55 5.516 2.414 -8.052 1.00 0.00 H new ATOM 0 HG2 GLU A 55 3.443 1.577 -8.047 1.00 0.00 H new ATOM 0 HG3 GLU A 55 2.835 3.097 -7.424 1.00 0.00 H new ATOM 834 N ILE A 56 4.667 3.247 -5.102 1.00 0.00 N ATOM 835 CA ILE A 56 5.050 2.677 -3.815 1.00 0.00 C ATOM 836 C ILE A 56 3.961 1.729 -3.299 1.00 0.00 C ATOM 837 O ILE A 56 2.808 1.805 -3.721 1.00 0.00 O ATOM 838 CB ILE A 56 5.336 3.794 -2.776 1.00 0.00 C ATOM 839 CG1 ILE A 56 6.834 4.110 -2.742 1.00 0.00 C ATOM 840 CG2 ILE A 56 4.851 3.410 -1.384 1.00 0.00 C ATOM 841 CD1 ILE A 56 7.177 5.349 -1.945 1.00 0.00 C ATOM 0 H ILE A 56 3.666 3.211 -5.296 1.00 0.00 H new ATOM 0 HA ILE A 56 5.967 2.105 -3.959 1.00 0.00 H new ATOM 0 HB ILE A 56 4.784 4.682 -3.085 1.00 0.00 H new ATOM 0 HG12 ILE A 56 7.366 3.258 -2.319 1.00 0.00 H new ATOM 0 HG13 ILE A 56 7.193 4.235 -3.764 1.00 0.00 H new ATOM 0 HG21 ILE A 56 5.070 4.218 -0.686 1.00 0.00 H new ATOM 0 HG22 ILE A 56 3.776 3.234 -1.409 1.00 0.00 H new ATOM 0 HG23 ILE A 56 5.360 2.503 -1.059 1.00 0.00 H new ATOM 0 HD11 ILE A 56 8.255 5.509 -1.966 1.00 0.00 H new ATOM 0 HD12 ILE A 56 6.674 6.212 -2.380 1.00 0.00 H new ATOM 0 HD13 ILE A 56 6.850 5.220 -0.913 1.00 0.00 H new ATOM 853 N LEU A 57 4.337 0.821 -2.405 1.00 0.00 N ATOM 854 CA LEU A 57 3.385 -0.122 -1.835 1.00 0.00 C ATOM 855 C LEU A 57 3.718 -0.431 -0.398 1.00 0.00 C ATOM 856 O LEU A 57 4.866 -0.305 0.028 1.00 0.00 O ATOM 857 CB LEU A 57 3.395 -1.430 -2.610 1.00 0.00 C ATOM 858 CG LEU A 57 2.028 -2.085 -2.810 1.00 0.00 C ATOM 859 CD1 LEU A 57 1.348 -1.526 -4.047 1.00 0.00 C ATOM 860 CD2 LEU A 57 2.171 -3.595 -2.911 1.00 0.00 C ATOM 0 H LEU A 57 5.292 0.719 -2.061 1.00 0.00 H new ATOM 0 HA LEU A 57 2.401 0.344 -1.893 1.00 0.00 H new ATOM 0 HB2 LEU A 57 3.839 -1.249 -3.589 1.00 0.00 H new ATOM 0 HB3 LEU A 57 4.044 -2.135 -2.091 1.00 0.00 H new ATOM 0 HG LEU A 57 1.405 -1.858 -1.945 1.00 0.00 H new ATOM 0 HD11 LEU A 57 0.376 -2.003 -4.175 1.00 0.00 H new ATOM 0 HD12 LEU A 57 1.212 -0.451 -3.933 1.00 0.00 H new ATOM 0 HD13 LEU A 57 1.967 -1.723 -4.923 1.00 0.00 H new ATOM 0 HD21 LEU A 57 1.188 -4.045 -3.053 1.00 0.00 H new ATOM 0 HD22 LEU A 57 2.810 -3.844 -3.758 1.00 0.00 H new ATOM 0 HD23 LEU A 57 2.617 -3.980 -1.994 1.00 0.00 H new ATOM 872 N GLU A 58 2.721 -0.898 0.329 1.00 0.00 N ATOM 873 CA GLU A 58 2.932 -1.321 1.691 1.00 0.00 C ATOM 874 C GLU A 58 2.081 -2.545 1.999 1.00 0.00 C ATOM 875 O GLU A 58 0.856 -2.489 1.935 1.00 0.00 O ATOM 876 CB GLU A 58 2.613 -0.193 2.682 1.00 0.00 C ATOM 877 CG GLU A 58 2.647 1.199 2.071 1.00 0.00 C ATOM 878 CD GLU A 58 1.826 2.201 2.859 1.00 0.00 C ATOM 879 OE1 GLU A 58 0.592 2.027 2.940 1.00 0.00 O ATOM 880 OE2 GLU A 58 2.419 3.161 3.397 1.00 0.00 O ATOM 0 H GLU A 58 1.761 -0.992 -0.004 1.00 0.00 H new ATOM 0 HA GLU A 58 3.985 -1.580 1.803 1.00 0.00 H new ATOM 0 HB2 GLU A 58 1.625 -0.367 3.108 1.00 0.00 H new ATOM 0 HB3 GLU A 58 3.327 -0.234 3.505 1.00 0.00 H new ATOM 0 HG2 GLU A 58 3.680 1.543 2.017 1.00 0.00 H new ATOM 0 HG3 GLU A 58 2.273 1.152 1.048 1.00 0.00 H new ATOM 887 N VAL A 59 2.740 -3.652 2.316 1.00 0.00 N ATOM 888 CA VAL A 59 2.043 -4.903 2.588 1.00 0.00 C ATOM 889 C VAL A 59 2.294 -5.385 4.009 1.00 0.00 C ATOM 890 O VAL A 59 3.416 -5.732 4.368 1.00 0.00 O ATOM 891 CB VAL A 59 2.478 -6.008 1.607 1.00 0.00 C ATOM 892 CG1 VAL A 59 1.664 -7.274 1.832 1.00 0.00 C ATOM 893 CG2 VAL A 59 2.351 -5.529 0.169 1.00 0.00 C ATOM 0 H VAL A 59 3.756 -3.709 2.391 1.00 0.00 H new ATOM 0 HA VAL A 59 0.979 -4.701 2.461 1.00 0.00 H new ATOM 0 HB VAL A 59 3.526 -6.241 1.794 1.00 0.00 H new ATOM 0 HG11 VAL A 59 1.986 -8.043 1.130 1.00 0.00 H new ATOM 0 HG12 VAL A 59 1.816 -7.628 2.852 1.00 0.00 H new ATOM 0 HG13 VAL A 59 0.607 -7.059 1.676 1.00 0.00 H new ATOM 0 HG21 VAL A 59 2.663 -6.324 -0.508 1.00 0.00 H new ATOM 0 HG22 VAL A 59 1.314 -5.264 -0.036 1.00 0.00 H new ATOM 0 HG23 VAL A 59 2.985 -4.655 0.019 1.00 0.00 H new ATOM 903 N VAL A 60 1.237 -5.423 4.809 1.00 0.00 N ATOM 904 CA VAL A 60 1.334 -5.909 6.177 1.00 0.00 C ATOM 905 C VAL A 60 0.428 -7.118 6.369 1.00 0.00 C ATOM 906 O VAL A 60 -0.747 -6.985 6.711 1.00 0.00 O ATOM 907 CB VAL A 60 0.970 -4.815 7.198 1.00 0.00 C ATOM 908 CG1 VAL A 60 1.063 -5.353 8.618 1.00 0.00 C ATOM 909 CG2 VAL A 60 1.874 -3.605 7.020 1.00 0.00 C ATOM 0 H VAL A 60 0.302 -5.123 4.533 1.00 0.00 H new ATOM 0 HA VAL A 60 2.370 -6.198 6.351 1.00 0.00 H new ATOM 0 HB VAL A 60 -0.060 -4.505 7.021 1.00 0.00 H new ATOM 0 HG11 VAL A 60 0.802 -4.564 9.324 1.00 0.00 H new ATOM 0 HG12 VAL A 60 0.373 -6.189 8.736 1.00 0.00 H new ATOM 0 HG13 VAL A 60 2.080 -5.692 8.813 1.00 0.00 H new ATOM 0 HG21 VAL A 60 1.605 -2.840 7.748 1.00 0.00 H new ATOM 0 HG22 VAL A 60 2.912 -3.901 7.171 1.00 0.00 H new ATOM 0 HG23 VAL A 60 1.753 -3.206 6.013 1.00 0.00 H new ATOM 919 N SER A 61 0.968 -8.297 6.098 1.00 0.00 N ATOM 920 CA SER A 61 0.195 -9.520 6.209 1.00 0.00 C ATOM 921 C SER A 61 0.928 -10.567 7.034 1.00 0.00 C ATOM 922 O SER A 61 2.110 -10.416 7.343 1.00 0.00 O ATOM 923 CB SER A 61 -0.111 -10.077 4.817 1.00 0.00 C ATOM 924 OG SER A 61 0.956 -9.828 3.920 1.00 0.00 O ATOM 0 H SER A 61 1.935 -8.430 5.801 1.00 0.00 H new ATOM 0 HA SER A 61 -0.739 -9.280 6.718 1.00 0.00 H new ATOM 0 HB2 SER A 61 -0.291 -11.150 4.883 1.00 0.00 H new ATOM 0 HB3 SER A 61 -1.025 -9.624 4.434 1.00 0.00 H new ATOM 0 HG SER A 61 0.631 -9.895 2.998 1.00 0.00 H new ATOM 930 N ASP A 62 0.224 -11.644 7.353 1.00 0.00 N ATOM 931 CA ASP A 62 0.804 -12.733 8.128 1.00 0.00 C ATOM 932 C ASP A 62 0.819 -14.023 7.314 1.00 0.00 C ATOM 933 O ASP A 62 -0.220 -14.482 6.841 1.00 0.00 O ATOM 934 CB ASP A 62 0.021 -12.945 9.427 1.00 0.00 C ATOM 935 CG ASP A 62 -1.257 -12.131 9.477 1.00 0.00 C ATOM 936 OD1 ASP A 62 -1.170 -10.900 9.673 1.00 0.00 O ATOM 937 OD2 ASP A 62 -2.345 -12.725 9.325 1.00 0.00 O ATOM 0 H ASP A 62 -0.750 -11.788 7.087 1.00 0.00 H new ATOM 0 HA ASP A 62 1.830 -12.463 8.376 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -0.222 -14.002 9.532 1.00 0.00 H new ATOM 0 HB3 ASP A 62 0.651 -12.677 10.275 1.00 0.00 H new ATOM 942 N CYS A 63 2.010 -14.585 7.132 1.00 0.00 N ATOM 943 CA CYS A 63 2.169 -15.812 6.360 1.00 0.00 C ATOM 944 C CYS A 63 3.402 -16.589 6.818 1.00 0.00 C ATOM 945 O CYS A 63 4.386 -15.998 7.263 1.00 0.00 O ATOM 946 CB CYS A 63 2.282 -15.486 4.869 1.00 0.00 C ATOM 947 SG CYS A 63 1.117 -16.390 3.822 1.00 0.00 S ATOM 0 H CYS A 63 2.880 -14.209 7.509 1.00 0.00 H new ATOM 0 HA CYS A 63 1.289 -16.434 6.525 1.00 0.00 H new ATOM 0 HB2 CYS A 63 2.124 -14.417 4.729 1.00 0.00 H new ATOM 0 HB3 CYS A 63 3.297 -15.704 4.537 1.00 0.00 H new ATOM 0 HG CYS A 63 0.939 -15.740 2.710 1.00 0.00 H new ATOM 953 N PRO A 64 3.370 -17.931 6.711 1.00 0.00 N ATOM 954 CA PRO A 64 4.492 -18.782 7.119 1.00 0.00 C ATOM 955 C PRO A 64 5.677 -18.680 6.164 1.00 0.00 C ATOM 956 O PRO A 64 6.829 -18.606 6.594 1.00 0.00 O ATOM 957 CB PRO A 64 3.898 -20.191 7.085 1.00 0.00 C ATOM 958 CG PRO A 64 2.801 -20.113 6.081 1.00 0.00 C ATOM 959 CD PRO A 64 2.236 -18.722 6.190 1.00 0.00 C ATOM 0 HA PRO A 64 4.888 -18.494 8.093 1.00 0.00 H new ATOM 0 HB2 PRO A 64 4.646 -20.930 6.798 1.00 0.00 H new ATOM 0 HB3 PRO A 64 3.519 -20.485 8.064 1.00 0.00 H new ATOM 0 HG2 PRO A 64 3.178 -20.303 5.076 1.00 0.00 H new ATOM 0 HG3 PRO A 64 2.035 -20.862 6.281 1.00 0.00 H new ATOM 0 HD2 PRO A 64 1.897 -18.349 5.223 1.00 0.00 H new ATOM 0 HD3 PRO A 64 1.379 -18.688 6.863 1.00 0.00 H new ATOM 967 N GLN A 65 5.388 -18.679 4.865 1.00 0.00 N ATOM 968 CA GLN A 65 6.431 -18.588 3.849 1.00 0.00 C ATOM 969 C GLN A 65 7.041 -17.190 3.814 1.00 0.00 C ATOM 970 O GLN A 65 6.403 -16.215 4.211 1.00 0.00 O ATOM 971 CB GLN A 65 5.862 -18.942 2.473 1.00 0.00 C ATOM 972 CG GLN A 65 6.331 -20.291 1.950 1.00 0.00 C ATOM 973 CD GLN A 65 5.662 -21.455 2.654 1.00 0.00 C ATOM 974 OE1 GLN A 65 5.934 -21.728 3.823 1.00 0.00 O ATOM 975 NE2 GLN A 65 4.780 -22.150 1.943 1.00 0.00 N ATOM 0 H GLN A 65 4.441 -18.740 4.492 1.00 0.00 H new ATOM 0 HA GLN A 65 7.216 -19.299 4.107 1.00 0.00 H new ATOM 0 HB2 GLN A 65 4.773 -18.941 2.528 1.00 0.00 H new ATOM 0 HB3 GLN A 65 6.146 -18.167 1.761 1.00 0.00 H new ATOM 0 HG2 GLN A 65 6.127 -20.353 0.881 1.00 0.00 H new ATOM 0 HG3 GLN A 65 7.411 -20.369 2.074 1.00 0.00 H new ATOM 0 HE21 GLN A 65 4.585 -21.889 0.977 1.00 0.00 H new ATOM 0 HE22 GLN A 65 4.298 -22.945 2.364 1.00 0.00 H new ATOM 984 N SER A 66 8.280 -17.102 3.339 1.00 0.00 N ATOM 985 CA SER A 66 8.979 -15.825 3.253 1.00 0.00 C ATOM 986 C SER A 66 8.284 -14.886 2.274 1.00 0.00 C ATOM 987 O SER A 66 7.788 -13.827 2.658 1.00 0.00 O ATOM 988 CB SER A 66 10.432 -16.042 2.825 1.00 0.00 C ATOM 989 OG SER A 66 10.998 -14.850 2.309 1.00 0.00 O ATOM 0 H SER A 66 8.821 -17.901 3.008 1.00 0.00 H new ATOM 0 HA SER A 66 8.963 -15.365 4.241 1.00 0.00 H new ATOM 0 HB2 SER A 66 11.017 -16.386 3.678 1.00 0.00 H new ATOM 0 HB3 SER A 66 10.478 -16.826 2.069 1.00 0.00 H new ATOM 0 HG SER A 66 11.927 -15.017 2.045 1.00 0.00 H new ATOM 995 N ILE A 67 8.255 -15.279 1.004 1.00 0.00 N ATOM 996 CA ILE A 67 7.621 -14.473 -0.033 1.00 0.00 C ATOM 997 C ILE A 67 6.101 -14.590 0.036 1.00 0.00 C ATOM 998 O ILE A 67 5.564 -15.659 0.325 1.00 0.00 O ATOM 999 CB ILE A 67 8.098 -14.886 -1.439 1.00 0.00 C ATOM 1000 CG1 ILE A 67 9.616 -15.085 -1.448 1.00 0.00 C ATOM 1001 CG2 ILE A 67 7.691 -13.840 -2.466 1.00 0.00 C ATOM 1002 CD1 ILE A 67 10.060 -16.335 -2.177 1.00 0.00 C ATOM 0 H ILE A 67 8.664 -16.151 0.669 1.00 0.00 H new ATOM 0 HA ILE A 67 7.911 -13.438 0.147 1.00 0.00 H new ATOM 0 HB ILE A 67 7.624 -15.831 -1.704 1.00 0.00 H new ATOM 0 HG12 ILE A 67 10.085 -14.218 -1.913 1.00 0.00 H new ATOM 0 HG13 ILE A 67 9.974 -15.128 -0.419 1.00 0.00 H new ATOM 0 HG21 ILE A 67 8.035 -14.147 -3.454 1.00 0.00 H new ATOM 0 HG22 ILE A 67 6.605 -13.742 -2.475 1.00 0.00 H new ATOM 0 HG23 ILE A 67 8.140 -12.881 -2.207 1.00 0.00 H new ATOM 0 HD11 ILE A 67 11.147 -16.410 -2.142 1.00 0.00 H new ATOM 0 HD12 ILE A 67 9.621 -17.210 -1.699 1.00 0.00 H new ATOM 0 HD13 ILE A 67 9.733 -16.286 -3.216 1.00 0.00 H new ATOM 1014 N ASN A 68 5.415 -13.483 -0.230 1.00 0.00 N ATOM 1015 CA ASN A 68 3.956 -13.458 -0.193 1.00 0.00 C ATOM 1016 C ASN A 68 3.375 -13.303 -1.594 1.00 0.00 C ATOM 1017 O ASN A 68 4.105 -13.289 -2.584 1.00 0.00 O ATOM 1018 CB ASN A 68 3.468 -12.318 0.699 1.00 0.00 C ATOM 1019 CG ASN A 68 2.138 -12.623 1.358 1.00 0.00 C ATOM 1020 OD1 ASN A 68 1.953 -13.690 1.942 1.00 0.00 O ATOM 1021 ND2 ASN A 68 1.205 -11.682 1.268 1.00 0.00 N ATOM 0 H ASN A 68 5.846 -12.591 -0.474 1.00 0.00 H new ATOM 0 HA ASN A 68 3.614 -14.408 0.219 1.00 0.00 H new ATOM 0 HB2 ASN A 68 4.214 -12.119 1.469 1.00 0.00 H new ATOM 0 HB3 ASN A 68 3.375 -11.410 0.103 1.00 0.00 H new ATOM 0 HD21 ASN A 68 0.290 -11.829 1.693 1.00 0.00 H new ATOM 0 HD22 ASN A 68 1.404 -10.812 0.773 1.00 0.00 H new ATOM 1028 N ASN A 69 2.052 -13.190 -1.665 1.00 0.00 N ATOM 1029 CA ASN A 69 1.361 -13.047 -2.941 1.00 0.00 C ATOM 1030 C ASN A 69 1.578 -11.662 -3.547 1.00 0.00 C ATOM 1031 O ASN A 69 1.664 -11.521 -4.767 1.00 0.00 O ATOM 1032 CB ASN A 69 -0.136 -13.305 -2.761 1.00 0.00 C ATOM 1033 CG ASN A 69 -0.465 -14.784 -2.691 1.00 0.00 C ATOM 1034 OD1 ASN A 69 0.219 -15.613 -3.292 1.00 0.00 O ATOM 1035 ND2 ASN A 69 -1.516 -15.122 -1.954 1.00 0.00 N ATOM 0 H ASN A 69 1.436 -13.195 -0.852 1.00 0.00 H new ATOM 0 HA ASN A 69 1.778 -13.784 -3.627 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -0.479 -12.816 -1.849 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -0.682 -12.853 -3.589 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -1.785 -16.102 -1.869 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -2.054 -14.402 -1.473 1.00 0.00 H new ATOM 1042 N ILE A 70 1.647 -10.641 -2.697 1.00 0.00 N ATOM 1043 CA ILE A 70 1.819 -9.268 -3.173 1.00 0.00 C ATOM 1044 C ILE A 70 3.212 -9.041 -3.772 1.00 0.00 C ATOM 1045 O ILE A 70 3.329 -8.531 -4.886 1.00 0.00 O ATOM 1046 CB ILE A 70 1.552 -8.216 -2.069 1.00 0.00 C ATOM 1047 CG1 ILE A 70 0.565 -8.746 -1.020 1.00 0.00 C ATOM 1048 CG2 ILE A 70 1.024 -6.932 -2.692 1.00 0.00 C ATOM 1049 CD1 ILE A 70 -0.746 -9.238 -1.597 1.00 0.00 C ATOM 0 H ILE A 70 1.587 -10.735 -1.683 1.00 0.00 H new ATOM 0 HA ILE A 70 1.072 -9.134 -3.955 1.00 0.00 H new ATOM 0 HB ILE A 70 2.495 -8.007 -1.563 1.00 0.00 H new ATOM 0 HG12 ILE A 70 1.037 -9.561 -0.472 1.00 0.00 H new ATOM 0 HG13 ILE A 70 0.358 -7.955 -0.299 1.00 0.00 H new ATOM 0 HG21 ILE A 70 0.839 -6.197 -1.909 1.00 0.00 H new ATOM 0 HG22 ILE A 70 1.760 -6.538 -3.393 1.00 0.00 H new ATOM 0 HG23 ILE A 70 0.094 -7.140 -3.222 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -1.387 -9.596 -0.791 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -1.243 -8.421 -2.120 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -0.553 -10.052 -2.296 1.00 0.00 H new ATOM 1061 N PRO A 71 4.292 -9.413 -3.053 1.00 0.00 N ATOM 1062 CA PRO A 71 5.663 -9.234 -3.552 1.00 0.00 C ATOM 1063 C PRO A 71 5.959 -10.112 -4.763 1.00 0.00 C ATOM 1064 O PRO A 71 6.548 -9.656 -5.742 1.00 0.00 O ATOM 1065 CB PRO A 71 6.536 -9.653 -2.366 1.00 0.00 C ATOM 1066 CG PRO A 71 5.672 -10.565 -1.569 1.00 0.00 C ATOM 1067 CD PRO A 71 4.276 -10.032 -1.714 1.00 0.00 C ATOM 0 HA PRO A 71 5.840 -8.212 -3.888 1.00 0.00 H new ATOM 0 HB2 PRO A 71 7.443 -10.157 -2.700 1.00 0.00 H new ATOM 0 HB3 PRO A 71 6.849 -8.789 -1.779 1.00 0.00 H new ATOM 0 HG2 PRO A 71 5.740 -11.589 -1.936 1.00 0.00 H new ATOM 0 HG3 PRO A 71 5.979 -10.580 -0.523 1.00 0.00 H new ATOM 0 HD2 PRO A 71 3.532 -10.826 -1.646 1.00 0.00 H new ATOM 0 HD3 PRO A 71 4.039 -9.305 -0.937 1.00 0.00 H new ATOM 1075 N LEU A 72 5.550 -11.375 -4.686 1.00 0.00 N ATOM 1076 CA LEU A 72 5.774 -12.320 -5.775 1.00 0.00 C ATOM 1077 C LEU A 72 5.046 -11.879 -7.040 1.00 0.00 C ATOM 1078 O LEU A 72 5.496 -12.150 -8.153 1.00 0.00 O ATOM 1079 CB LEU A 72 5.307 -13.718 -5.367 1.00 0.00 C ATOM 1080 CG LEU A 72 5.642 -14.830 -6.364 1.00 0.00 C ATOM 1081 CD1 LEU A 72 6.639 -15.806 -5.758 1.00 0.00 C ATOM 1082 CD2 LEU A 72 4.376 -15.555 -6.796 1.00 0.00 C ATOM 0 H LEU A 72 5.062 -11.768 -3.881 1.00 0.00 H new ATOM 0 HA LEU A 72 6.843 -12.346 -5.984 1.00 0.00 H new ATOM 0 HB2 LEU A 72 5.754 -13.967 -4.405 1.00 0.00 H new ATOM 0 HB3 LEU A 72 4.227 -13.695 -5.221 1.00 0.00 H new ATOM 0 HG LEU A 72 6.097 -14.379 -7.246 1.00 0.00 H new ATOM 0 HD11 LEU A 72 6.866 -16.590 -6.481 1.00 0.00 H new ATOM 0 HD12 LEU A 72 7.555 -15.276 -5.498 1.00 0.00 H new ATOM 0 HD13 LEU A 72 6.211 -16.253 -4.860 1.00 0.00 H new ATOM 0 HD21 LEU A 72 4.632 -16.343 -7.505 1.00 0.00 H new ATOM 0 HD22 LEU A 72 3.893 -15.995 -5.924 1.00 0.00 H new ATOM 0 HD23 LEU A 72 3.695 -14.848 -7.270 1.00 0.00 H new ATOM 1094 N ASP A 73 3.915 -11.202 -6.861 1.00 0.00 N ATOM 1095 CA ASP A 73 3.127 -10.721 -7.990 1.00 0.00 C ATOM 1096 C ASP A 73 3.931 -9.736 -8.828 1.00 0.00 C ATOM 1097 O ASP A 73 4.178 -9.969 -10.011 1.00 0.00 O ATOM 1098 CB ASP A 73 1.838 -10.059 -7.497 1.00 0.00 C ATOM 1099 CG ASP A 73 0.612 -10.908 -7.765 1.00 0.00 C ATOM 1100 OD1 ASP A 73 0.635 -12.110 -7.426 1.00 0.00 O ATOM 1101 OD2 ASP A 73 -0.372 -10.371 -8.316 1.00 0.00 O ATOM 0 H ASP A 73 3.525 -10.975 -5.946 1.00 0.00 H new ATOM 0 HA ASP A 73 2.869 -11.577 -8.613 1.00 0.00 H new ATOM 0 HB2 ASP A 73 1.917 -9.868 -6.427 1.00 0.00 H new ATOM 0 HB3 ASP A 73 1.720 -9.092 -7.985 1.00 0.00 H new ATOM 1106 N ALA A 74 4.344 -8.636 -8.205 1.00 0.00 N ATOM 1107 CA ALA A 74 5.130 -7.619 -8.892 1.00 0.00 C ATOM 1108 C ALA A 74 6.459 -8.191 -9.371 1.00 0.00 C ATOM 1109 O ALA A 74 6.968 -7.803 -10.422 1.00 0.00 O ATOM 1110 CB ALA A 74 5.359 -6.424 -7.982 1.00 0.00 C ATOM 0 H ALA A 74 4.147 -8.427 -7.226 1.00 0.00 H new ATOM 0 HA ALA A 74 4.571 -7.287 -9.767 1.00 0.00 H new ATOM 0 HB1 ALA A 74 5.947 -5.673 -8.509 1.00 0.00 H new ATOM 0 HB2 ALA A 74 4.399 -5.996 -7.694 1.00 0.00 H new ATOM 0 HB3 ALA A 74 5.896 -6.744 -7.089 1.00 0.00 H new ATOM 1116 N ARG A 75 7.010 -9.122 -8.599 1.00 0.00 N ATOM 1117 CA ARG A 75 8.268 -9.765 -8.956 1.00 0.00 C ATOM 1118 C ARG A 75 8.112 -10.569 -10.244 1.00 0.00 C ATOM 1119 O ARG A 75 9.063 -10.724 -11.011 1.00 0.00 O ATOM 1120 CB ARG A 75 8.737 -10.679 -7.821 1.00 0.00 C ATOM 1121 CG ARG A 75 10.051 -11.387 -8.111 1.00 0.00 C ATOM 1122 CD ARG A 75 10.001 -12.847 -7.688 1.00 0.00 C ATOM 1123 NE ARG A 75 9.639 -13.725 -8.797 1.00 0.00 N ATOM 1124 CZ ARG A 75 9.483 -15.041 -8.675 1.00 0.00 C ATOM 1125 NH1 ARG A 75 9.654 -15.628 -7.498 1.00 0.00 N ATOM 1126 NH2 ARG A 75 9.153 -15.770 -9.733 1.00 0.00 N ATOM 0 H ARG A 75 6.604 -9.448 -7.722 1.00 0.00 H new ATOM 0 HA ARG A 75 9.017 -8.990 -9.118 1.00 0.00 H new ATOM 0 HB2 ARG A 75 8.846 -10.088 -6.912 1.00 0.00 H new ATOM 0 HB3 ARG A 75 7.967 -11.426 -7.626 1.00 0.00 H new ATOM 0 HG2 ARG A 75 10.273 -11.323 -9.176 1.00 0.00 H new ATOM 0 HG3 ARG A 75 10.862 -10.882 -7.585 1.00 0.00 H new ATOM 0 HD2 ARG A 75 10.973 -13.144 -7.293 1.00 0.00 H new ATOM 0 HD3 ARG A 75 9.279 -12.966 -6.880 1.00 0.00 H new ATOM 0 HE ARG A 75 9.498 -13.306 -9.716 1.00 0.00 H new ATOM 0 HH11 ARG A 75 9.906 -15.070 -6.682 1.00 0.00 H new ATOM 0 HH12 ARG A 75 9.533 -16.637 -7.409 1.00 0.00 H new ATOM 0 HH21 ARG A 75 9.019 -15.322 -10.639 1.00 0.00 H new ATOM 0 HH22 ARG A 75 9.033 -16.779 -9.640 1.00 0.00 H new ATOM 1140 N ASN A 76 6.903 -11.074 -10.475 1.00 0.00 N ATOM 1141 CA ASN A 76 6.613 -11.855 -11.673 1.00 0.00 C ATOM 1142 C ASN A 76 6.697 -10.979 -12.918 1.00 0.00 C ATOM 1143 O ASN A 76 7.520 -11.215 -13.802 1.00 0.00 O ATOM 1144 CB ASN A 76 5.224 -12.487 -11.570 1.00 0.00 C ATOM 1145 CG ASN A 76 4.957 -13.489 -12.677 1.00 0.00 C ATOM 1146 OD1 ASN A 76 4.911 -13.133 -13.854 1.00 0.00 O ATOM 1147 ND2 ASN A 76 4.775 -14.749 -12.302 1.00 0.00 N ATOM 0 H ASN A 76 6.108 -10.956 -9.847 1.00 0.00 H new ATOM 0 HA ASN A 76 7.357 -12.647 -11.755 1.00 0.00 H new ATOM 0 HB2 ASN A 76 5.125 -12.983 -10.604 1.00 0.00 H new ATOM 0 HB3 ASN A 76 4.468 -11.702 -11.605 1.00 0.00 H new ATOM 0 HD21 ASN A 76 4.588 -15.467 -13.002 1.00 0.00 H new ATOM 0 HD22 ASN A 76 4.822 -14.999 -11.314 1.00 0.00 H new ATOM 1154 N HIS A 77 5.843 -9.960 -12.975 1.00 0.00 N ATOM 1155 CA HIS A 77 5.827 -9.039 -14.105 1.00 0.00 C ATOM 1156 C HIS A 77 7.098 -8.198 -14.131 1.00 0.00 C ATOM 1157 O HIS A 77 7.468 -7.642 -15.166 1.00 0.00 O ATOM 1158 CB HIS A 77 4.600 -8.127 -14.028 1.00 0.00 C ATOM 1159 CG HIS A 77 3.484 -8.550 -14.929 1.00 0.00 C ATOM 1160 ND1 HIS A 77 3.279 -9.872 -15.245 1.00 0.00 N ATOM 1161 CD2 HIS A 77 2.545 -7.796 -15.553 1.00 0.00 C ATOM 1162 CE1 HIS A 77 2.229 -9.896 -16.047 1.00 0.00 C ATOM 1163 NE2 HIS A 77 1.753 -8.661 -16.261 1.00 0.00 N ATOM 0 H HIS A 77 5.154 -9.753 -12.252 1.00 0.00 H new ATOM 0 HA HIS A 77 5.778 -9.625 -15.023 1.00 0.00 H new ATOM 0 HB2 HIS A 77 4.238 -8.105 -13.000 1.00 0.00 H new ATOM 0 HB3 HIS A 77 4.897 -7.110 -14.283 1.00 0.00 H new ATOM 0 HD2 HIS A 77 2.442 -6.722 -15.502 1.00 0.00 H new ATOM 0 HE1 HIS A 77 1.809 -10.794 -16.475 1.00 0.00 H new ATOM 0 HE2 HIS A 77 0.952 -8.412 -16.842 1.00 0.00 H new ATOM 1171 N GLY A 78 7.763 -8.112 -12.983 1.00 0.00 N ATOM 1172 CA GLY A 78 8.994 -7.350 -12.887 1.00 0.00 C ATOM 1173 C GLY A 78 8.753 -5.863 -12.710 1.00 0.00 C ATOM 1174 O GLY A 78 8.600 -5.132 -13.690 1.00 0.00 O ATOM 0 H GLY A 78 7.469 -8.559 -12.114 1.00 0.00 H new ATOM 0 HA2 GLY A 78 9.581 -7.721 -12.047 1.00 0.00 H new ATOM 0 HA3 GLY A 78 9.588 -7.513 -13.787 1.00 0.00 H new ATOM 1178 N TYR A 79 8.729 -5.414 -11.458 1.00 0.00 N ATOM 1179 CA TYR A 79 8.526 -4.000 -11.157 1.00 0.00 C ATOM 1180 C TYR A 79 9.866 -3.276 -11.058 1.00 0.00 C ATOM 1181 O TYR A 79 10.863 -3.721 -11.627 1.00 0.00 O ATOM 1182 CB TYR A 79 7.741 -3.842 -9.851 1.00 0.00 C ATOM 1183 CG TYR A 79 6.551 -2.913 -9.966 1.00 0.00 C ATOM 1184 CD1 TYR A 79 6.724 -1.558 -10.220 1.00 0.00 C ATOM 1185 CD2 TYR A 79 5.256 -3.391 -9.815 1.00 0.00 C ATOM 1186 CE1 TYR A 79 5.641 -0.707 -10.324 1.00 0.00 C ATOM 1187 CE2 TYR A 79 4.166 -2.546 -9.917 1.00 0.00 C ATOM 1188 CZ TYR A 79 4.365 -1.205 -10.172 1.00 0.00 C ATOM 1189 OH TYR A 79 3.284 -0.361 -10.276 1.00 0.00 O ATOM 0 H TYR A 79 8.847 -6.008 -10.637 1.00 0.00 H new ATOM 0 HA TYR A 79 7.951 -3.554 -11.968 1.00 0.00 H new ATOM 0 HB2 TYR A 79 7.395 -4.823 -9.524 1.00 0.00 H new ATOM 0 HB3 TYR A 79 8.411 -3.466 -9.078 1.00 0.00 H new ATOM 0 HD1 TYR A 79 7.722 -1.163 -10.338 1.00 0.00 H new ATOM 0 HD2 TYR A 79 5.097 -4.440 -9.615 1.00 0.00 H new ATOM 0 HE1 TYR A 79 5.793 0.343 -10.523 1.00 0.00 H new ATOM 0 HE2 TYR A 79 3.165 -2.934 -9.798 1.00 0.00 H new ATOM 0 HH TYR A 79 3.596 0.547 -10.474 1.00 0.00 H new ATOM 1199 N THR A 80 9.887 -2.160 -10.335 1.00 0.00 N ATOM 1200 CA THR A 80 11.108 -1.380 -10.171 1.00 0.00 C ATOM 1201 C THR A 80 11.885 -1.832 -8.939 1.00 0.00 C ATOM 1202 O THR A 80 13.006 -2.330 -9.047 1.00 0.00 O ATOM 1203 CB THR A 80 10.778 0.110 -10.062 1.00 0.00 C ATOM 1204 OG1 THR A 80 9.634 0.426 -10.836 1.00 0.00 O ATOM 1205 CG2 THR A 80 11.906 1.010 -10.517 1.00 0.00 C ATOM 0 H THR A 80 9.073 -1.777 -9.854 1.00 0.00 H new ATOM 0 HA THR A 80 11.731 -1.543 -11.050 1.00 0.00 H new ATOM 0 HB THR A 80 10.600 0.290 -9.002 1.00 0.00 H new ATOM 0 HG1 THR A 80 8.935 0.789 -10.253 1.00 0.00 H new ATOM 0 HG21 THR A 80 11.604 2.052 -10.413 1.00 0.00 H new ATOM 0 HG22 THR A 80 12.789 0.825 -9.905 1.00 0.00 H new ATOM 0 HG23 THR A 80 12.139 0.802 -11.561 1.00 0.00 H new ATOM 1213 N VAL A 81 11.285 -1.650 -7.766 1.00 0.00 N ATOM 1214 CA VAL A 81 11.926 -2.030 -6.513 1.00 0.00 C ATOM 1215 C VAL A 81 11.005 -2.898 -5.661 1.00 0.00 C ATOM 1216 O VAL A 81 9.917 -2.476 -5.277 1.00 0.00 O ATOM 1217 CB VAL A 81 12.347 -0.791 -5.700 1.00 0.00 C ATOM 1218 CG1 VAL A 81 13.118 -1.202 -4.455 1.00 0.00 C ATOM 1219 CG2 VAL A 81 13.171 0.157 -6.557 1.00 0.00 C ATOM 0 H VAL A 81 10.356 -1.242 -7.658 1.00 0.00 H new ATOM 0 HA VAL A 81 12.816 -2.603 -6.775 1.00 0.00 H new ATOM 0 HB VAL A 81 11.446 -0.267 -5.383 1.00 0.00 H new ATOM 0 HG11 VAL A 81 13.406 -0.312 -3.895 1.00 0.00 H new ATOM 0 HG12 VAL A 81 12.489 -1.836 -3.830 1.00 0.00 H new ATOM 0 HG13 VAL A 81 14.012 -1.753 -4.746 1.00 0.00 H new ATOM 0 HG21 VAL A 81 13.459 1.026 -5.965 1.00 0.00 H new ATOM 0 HG22 VAL A 81 14.067 -0.355 -6.908 1.00 0.00 H new ATOM 0 HG23 VAL A 81 12.579 0.481 -7.413 1.00 0.00 H new ATOM 1229 N LEU A 82 11.465 -4.106 -5.354 1.00 0.00 N ATOM 1230 CA LEU A 82 10.701 -5.044 -4.538 1.00 0.00 C ATOM 1231 C LEU A 82 11.514 -5.473 -3.318 1.00 0.00 C ATOM 1232 O LEU A 82 12.424 -6.294 -3.427 1.00 0.00 O ATOM 1233 CB LEU A 82 10.319 -6.277 -5.365 1.00 0.00 C ATOM 1234 CG LEU A 82 8.820 -6.461 -5.621 1.00 0.00 C ATOM 1235 CD1 LEU A 82 8.080 -6.704 -4.314 1.00 0.00 C ATOM 1236 CD2 LEU A 82 8.247 -5.251 -6.347 1.00 0.00 C ATOM 0 H LEU A 82 12.371 -4.461 -5.661 1.00 0.00 H new ATOM 0 HA LEU A 82 9.792 -4.546 -4.200 1.00 0.00 H new ATOM 0 HB2 LEU A 82 10.830 -6.221 -6.326 1.00 0.00 H new ATOM 0 HB3 LEU A 82 10.695 -7.165 -4.856 1.00 0.00 H new ATOM 0 HG LEU A 82 8.686 -7.336 -6.258 1.00 0.00 H new ATOM 0 HD11 LEU A 82 7.017 -6.832 -4.516 1.00 0.00 H new ATOM 0 HD12 LEU A 82 8.470 -7.603 -3.837 1.00 0.00 H new ATOM 0 HD13 LEU A 82 8.223 -5.851 -3.651 1.00 0.00 H new ATOM 0 HD21 LEU A 82 7.181 -5.401 -6.520 1.00 0.00 H new ATOM 0 HD22 LEU A 82 8.394 -4.359 -5.739 1.00 0.00 H new ATOM 0 HD23 LEU A 82 8.755 -5.126 -7.303 1.00 0.00 H new ATOM 1248 N ASP A 83 11.189 -4.901 -2.162 1.00 0.00 N ATOM 1249 CA ASP A 83 11.897 -5.221 -0.927 1.00 0.00 C ATOM 1250 C ASP A 83 10.928 -5.705 0.145 1.00 0.00 C ATOM 1251 O ASP A 83 9.724 -5.468 0.057 1.00 0.00 O ATOM 1252 CB ASP A 83 12.664 -3.996 -0.423 1.00 0.00 C ATOM 1253 CG ASP A 83 14.155 -4.095 -0.689 1.00 0.00 C ATOM 1254 OD1 ASP A 83 14.572 -5.039 -1.392 1.00 0.00 O ATOM 1255 OD2 ASP A 83 14.904 -3.227 -0.194 1.00 0.00 O ATOM 0 H ASP A 83 10.442 -4.215 -2.055 1.00 0.00 H new ATOM 0 HA ASP A 83 12.605 -6.022 -1.140 1.00 0.00 H new ATOM 0 HB2 ASP A 83 12.271 -3.101 -0.905 1.00 0.00 H new ATOM 0 HB3 ASP A 83 12.496 -3.881 0.648 1.00 0.00 H new ATOM 1260 N ILE A 84 11.458 -6.397 1.150 1.00 0.00 N ATOM 1261 CA ILE A 84 10.632 -6.922 2.232 1.00 0.00 C ATOM 1262 C ILE A 84 11.344 -6.817 3.577 1.00 0.00 C ATOM 1263 O ILE A 84 12.528 -6.485 3.642 1.00 0.00 O ATOM 1264 CB ILE A 84 10.241 -8.394 1.986 1.00 0.00 C ATOM 1265 CG1 ILE A 84 11.462 -9.306 2.131 1.00 0.00 C ATOM 1266 CG2 ILE A 84 9.612 -8.554 0.611 1.00 0.00 C ATOM 1267 CD1 ILE A 84 11.123 -10.781 2.138 1.00 0.00 C ATOM 0 H ILE A 84 12.452 -6.606 1.237 1.00 0.00 H new ATOM 0 HA ILE A 84 9.728 -6.313 2.254 1.00 0.00 H new ATOM 0 HB ILE A 84 9.506 -8.686 2.736 1.00 0.00 H new ATOM 0 HG12 ILE A 84 12.153 -9.105 1.313 1.00 0.00 H new ATOM 0 HG13 ILE A 84 11.982 -9.057 3.056 1.00 0.00 H new ATOM 0 HG21 ILE A 84 9.342 -9.598 0.454 1.00 0.00 H new ATOM 0 HG22 ILE A 84 8.718 -7.934 0.546 1.00 0.00 H new ATOM 0 HG23 ILE A 84 10.325 -8.244 -0.153 1.00 0.00 H new ATOM 0 HD11 ILE A 84 12.038 -11.364 2.244 1.00 0.00 H new ATOM 0 HD12 ILE A 84 10.456 -10.997 2.973 1.00 0.00 H new ATOM 0 HD13 ILE A 84 10.630 -11.046 1.202 1.00 0.00 H new ATOM 1279 N GLN A 85 10.610 -7.108 4.645 1.00 0.00 N ATOM 1280 CA GLN A 85 11.157 -7.062 5.995 1.00 0.00 C ATOM 1281 C GLN A 85 10.383 -7.998 6.919 1.00 0.00 C ATOM 1282 O GLN A 85 9.241 -8.360 6.632 1.00 0.00 O ATOM 1283 CB GLN A 85 11.114 -5.633 6.541 1.00 0.00 C ATOM 1284 CG GLN A 85 12.413 -4.869 6.346 1.00 0.00 C ATOM 1285 CD GLN A 85 12.539 -3.684 7.284 1.00 0.00 C ATOM 1286 OE1 GLN A 85 12.329 -3.807 8.490 1.00 0.00 O ATOM 1287 NE2 GLN A 85 12.886 -2.527 6.731 1.00 0.00 N ATOM 0 H GLN A 85 9.628 -7.380 4.601 1.00 0.00 H new ATOM 0 HA GLN A 85 12.195 -7.391 5.954 1.00 0.00 H new ATOM 0 HB2 GLN A 85 10.306 -5.090 6.051 1.00 0.00 H new ATOM 0 HB3 GLN A 85 10.878 -5.666 7.605 1.00 0.00 H new ATOM 0 HG2 GLN A 85 13.254 -5.544 6.504 1.00 0.00 H new ATOM 0 HG3 GLN A 85 12.474 -4.520 5.315 1.00 0.00 H new ATOM 0 HE21 GLN A 85 13.050 -2.471 5.726 1.00 0.00 H new ATOM 0 HE22 GLN A 85 12.988 -1.695 7.312 1.00 0.00 H new ATOM 1296 N GLN A 86 11.007 -8.388 8.025 1.00 0.00 N ATOM 1297 CA GLN A 86 10.370 -9.282 8.985 1.00 0.00 C ATOM 1298 C GLN A 86 10.471 -8.724 10.401 1.00 0.00 C ATOM 1299 O GLN A 86 11.473 -8.106 10.764 1.00 0.00 O ATOM 1300 CB GLN A 86 11.014 -10.669 8.928 1.00 0.00 C ATOM 1301 CG GLN A 86 10.045 -11.776 8.547 1.00 0.00 C ATOM 1302 CD GLN A 86 10.405 -13.107 9.175 1.00 0.00 C ATOM 1303 OE1 GLN A 86 10.471 -13.233 10.398 1.00 0.00 O ATOM 1304 NE2 GLN A 86 10.641 -14.112 8.338 1.00 0.00 N ATOM 0 H GLN A 86 11.952 -8.100 8.279 1.00 0.00 H new ATOM 0 HA GLN A 86 9.316 -9.365 8.719 1.00 0.00 H new ATOM 0 HB2 GLN A 86 11.832 -10.651 8.208 1.00 0.00 H new ATOM 0 HB3 GLN A 86 11.450 -10.898 9.901 1.00 0.00 H new ATOM 0 HG2 GLN A 86 9.038 -11.494 8.854 1.00 0.00 H new ATOM 0 HG3 GLN A 86 10.029 -11.883 7.462 1.00 0.00 H new ATOM 0 HE21 GLN A 86 10.575 -13.963 7.331 1.00 0.00 H new ATOM 0 HE22 GLN A 86 10.888 -15.032 8.703 1.00 0.00 H new ATOM 1313 N ASP A 87 9.430 -8.947 11.197 1.00 0.00 N ATOM 1314 CA ASP A 87 9.408 -8.473 12.575 1.00 0.00 C ATOM 1315 C ASP A 87 9.120 -9.629 13.534 1.00 0.00 C ATOM 1316 O ASP A 87 9.854 -10.617 13.557 1.00 0.00 O ATOM 1317 CB ASP A 87 8.365 -7.363 12.735 1.00 0.00 C ATOM 1318 CG ASP A 87 8.623 -6.189 11.812 1.00 0.00 C ATOM 1319 OD1 ASP A 87 9.491 -5.354 12.144 1.00 0.00 O ATOM 1320 OD2 ASP A 87 7.958 -6.104 10.758 1.00 0.00 O ATOM 0 H ASP A 87 8.592 -9.453 10.911 1.00 0.00 H new ATOM 0 HA ASP A 87 10.388 -8.064 12.821 1.00 0.00 H new ATOM 0 HB2 ASP A 87 7.373 -7.768 12.534 1.00 0.00 H new ATOM 0 HB3 ASP A 87 8.364 -7.016 13.768 1.00 0.00 H new ATOM 1325 N GLY A 88 8.049 -9.509 14.316 1.00 0.00 N ATOM 1326 CA GLY A 88 7.694 -10.564 15.246 1.00 0.00 C ATOM 1327 C GLY A 88 6.903 -11.675 14.579 1.00 0.00 C ATOM 1328 O GLY A 88 7.436 -12.392 13.731 1.00 0.00 O ATOM 0 H GLY A 88 7.424 -8.703 14.321 1.00 0.00 H new ATOM 0 HA2 GLY A 88 8.601 -10.979 15.685 1.00 0.00 H new ATOM 0 HA3 GLY A 88 7.108 -10.143 16.063 1.00 0.00 H new ATOM 1332 N PRO A 89 5.615 -11.834 14.929 1.00 0.00 N ATOM 1333 CA PRO A 89 4.762 -12.870 14.352 1.00 0.00 C ATOM 1334 C PRO A 89 4.106 -12.426 13.047 1.00 0.00 C ATOM 1335 O PRO A 89 3.098 -12.996 12.626 1.00 0.00 O ATOM 1336 CB PRO A 89 3.711 -13.070 15.438 1.00 0.00 C ATOM 1337 CG PRO A 89 3.552 -11.721 16.056 1.00 0.00 C ATOM 1338 CD PRO A 89 4.889 -11.031 15.934 1.00 0.00 C ATOM 0 HA PRO A 89 5.317 -13.771 14.090 1.00 0.00 H new ATOM 0 HB2 PRO A 89 2.771 -13.428 15.019 1.00 0.00 H new ATOM 0 HB3 PRO A 89 4.034 -13.808 16.172 1.00 0.00 H new ATOM 0 HG2 PRO A 89 2.774 -11.151 15.548 1.00 0.00 H new ATOM 0 HG3 PRO A 89 3.254 -11.806 17.101 1.00 0.00 H new ATOM 0 HD2 PRO A 89 4.776 -9.996 15.612 1.00 0.00 H new ATOM 0 HD3 PRO A 89 5.417 -11.012 16.887 1.00 0.00 H new ATOM 1346 N THR A 90 4.674 -11.402 12.416 1.00 0.00 N ATOM 1347 CA THR A 90 4.133 -10.885 11.163 1.00 0.00 C ATOM 1348 C THR A 90 5.249 -10.564 10.174 1.00 0.00 C ATOM 1349 O THR A 90 6.430 -10.764 10.463 1.00 0.00 O ATOM 1350 CB THR A 90 3.293 -9.631 11.422 1.00 0.00 C ATOM 1351 OG1 THR A 90 4.093 -8.598 11.969 1.00 0.00 O ATOM 1352 CG2 THR A 90 2.134 -9.867 12.365 1.00 0.00 C ATOM 0 H THR A 90 5.506 -10.915 12.750 1.00 0.00 H new ATOM 0 HA THR A 90 3.499 -11.658 10.729 1.00 0.00 H new ATOM 0 HB THR A 90 2.891 -9.347 10.449 1.00 0.00 H new ATOM 0 HG1 THR A 90 3.540 -7.804 12.126 1.00 0.00 H new ATOM 0 HG21 THR A 90 1.582 -8.937 12.503 1.00 0.00 H new ATOM 0 HG22 THR A 90 1.471 -10.623 11.945 1.00 0.00 H new ATOM 0 HG23 THR A 90 2.512 -10.211 13.328 1.00 0.00 H new ATOM 1360 N ILE A 91 4.863 -10.061 9.005 1.00 0.00 N ATOM 1361 CA ILE A 91 5.820 -9.711 7.963 1.00 0.00 C ATOM 1362 C ILE A 91 5.304 -8.545 7.121 1.00 0.00 C ATOM 1363 O ILE A 91 4.097 -8.390 6.934 1.00 0.00 O ATOM 1364 CB ILE A 91 6.116 -10.916 7.052 1.00 0.00 C ATOM 1365 CG1 ILE A 91 7.084 -10.515 5.934 1.00 0.00 C ATOM 1366 CG2 ILE A 91 4.820 -11.473 6.478 1.00 0.00 C ATOM 1367 CD1 ILE A 91 7.952 -11.651 5.436 1.00 0.00 C ATOM 0 H ILE A 91 3.889 -9.886 8.756 1.00 0.00 H new ATOM 0 HA ILE A 91 6.745 -9.411 8.456 1.00 0.00 H new ATOM 0 HB ILE A 91 6.590 -11.698 7.645 1.00 0.00 H new ATOM 0 HG12 ILE A 91 6.511 -10.115 5.097 1.00 0.00 H new ATOM 0 HG13 ILE A 91 7.726 -9.711 6.294 1.00 0.00 H new ATOM 0 HG21 ILE A 91 5.043 -12.325 5.835 1.00 0.00 H new ATOM 0 HG22 ILE A 91 4.169 -11.793 7.292 1.00 0.00 H new ATOM 0 HG23 ILE A 91 4.319 -10.700 5.895 1.00 0.00 H new ATOM 0 HD11 ILE A 91 8.609 -11.287 4.646 1.00 0.00 H new ATOM 0 HD12 ILE A 91 8.553 -12.037 6.259 1.00 0.00 H new ATOM 0 HD13 ILE A 91 7.319 -12.447 5.044 1.00 0.00 H new ATOM 1379 N ARG A 92 6.224 -7.719 6.629 1.00 0.00 N ATOM 1380 CA ARG A 92 5.858 -6.554 5.834 1.00 0.00 C ATOM 1381 C ARG A 92 6.681 -6.483 4.543 1.00 0.00 C ATOM 1382 O ARG A 92 7.906 -6.587 4.569 1.00 0.00 O ATOM 1383 CB ARG A 92 6.034 -5.279 6.676 1.00 0.00 C ATOM 1384 CG ARG A 92 6.706 -4.120 5.953 1.00 0.00 C ATOM 1385 CD ARG A 92 8.013 -3.731 6.627 1.00 0.00 C ATOM 1386 NE ARG A 92 7.791 -2.995 7.870 1.00 0.00 N ATOM 1387 CZ ARG A 92 8.666 -2.135 8.383 1.00 0.00 C ATOM 1388 NH1 ARG A 92 9.817 -1.903 7.765 1.00 0.00 N ATOM 1389 NH2 ARG A 92 8.391 -1.506 9.517 1.00 0.00 N ATOM 0 H ARG A 92 7.228 -7.836 6.768 1.00 0.00 H new ATOM 0 HA ARG A 92 4.811 -6.642 5.543 1.00 0.00 H new ATOM 0 HB2 ARG A 92 5.054 -4.952 7.023 1.00 0.00 H new ATOM 0 HB3 ARG A 92 6.620 -5.524 7.562 1.00 0.00 H new ATOM 0 HG2 ARG A 92 6.897 -4.397 4.916 1.00 0.00 H new ATOM 0 HG3 ARG A 92 6.034 -3.262 5.935 1.00 0.00 H new ATOM 0 HD2 ARG A 92 8.594 -4.629 6.836 1.00 0.00 H new ATOM 0 HD3 ARG A 92 8.605 -3.120 5.945 1.00 0.00 H new ATOM 0 HE ARG A 92 6.917 -3.150 8.372 1.00 0.00 H new ATOM 0 HH11 ARG A 92 10.034 -2.385 6.893 1.00 0.00 H new ATOM 0 HH12 ARG A 92 10.485 -1.242 8.162 1.00 0.00 H new ATOM 0 HH21 ARG A 92 7.508 -1.682 9.996 1.00 0.00 H new ATOM 0 HH22 ARG A 92 9.062 -0.846 9.910 1.00 0.00 H new ATOM 1403 N TYR A 93 5.991 -6.284 3.420 1.00 0.00 N ATOM 1404 CA TYR A 93 6.636 -6.182 2.113 1.00 0.00 C ATOM 1405 C TYR A 93 6.267 -4.858 1.451 1.00 0.00 C ATOM 1406 O TYR A 93 5.100 -4.475 1.437 1.00 0.00 O ATOM 1407 CB TYR A 93 6.205 -7.337 1.194 1.00 0.00 C ATOM 1408 CG TYR A 93 5.956 -8.659 1.895 1.00 0.00 C ATOM 1409 CD1 TYR A 93 4.910 -8.814 2.797 1.00 0.00 C ATOM 1410 CD2 TYR A 93 6.730 -9.774 1.597 1.00 0.00 C ATOM 1411 CE1 TYR A 93 4.676 -10.026 3.417 1.00 0.00 C ATOM 1412 CE2 TYR A 93 6.498 -10.990 2.207 1.00 0.00 C ATOM 1413 CZ TYR A 93 5.472 -11.111 3.115 1.00 0.00 C ATOM 1414 OH TYR A 93 5.240 -12.323 3.724 1.00 0.00 O ATOM 0 H TYR A 93 4.976 -6.190 3.391 1.00 0.00 H new ATOM 0 HA TYR A 93 7.714 -6.234 2.266 1.00 0.00 H new ATOM 0 HB2 TYR A 93 5.295 -7.044 0.671 1.00 0.00 H new ATOM 0 HB3 TYR A 93 6.975 -7.485 0.437 1.00 0.00 H new ATOM 0 HD1 TYR A 93 4.269 -7.973 3.017 1.00 0.00 H new ATOM 0 HD2 TYR A 93 7.528 -9.687 0.874 1.00 0.00 H new ATOM 0 HE1 TYR A 93 3.874 -10.123 4.134 1.00 0.00 H new ATOM 0 HE2 TYR A 93 7.119 -11.842 1.973 1.00 0.00 H new ATOM 0 HH TYR A 93 5.935 -12.961 3.458 1.00 0.00 H new ATOM 1424 N LEU A 94 7.253 -4.163 0.891 1.00 0.00 N ATOM 1425 CA LEU A 94 6.992 -2.877 0.249 1.00 0.00 C ATOM 1426 C LEU A 94 7.754 -2.734 -1.061 1.00 0.00 C ATOM 1427 O LEU A 94 8.836 -3.293 -1.233 1.00 0.00 O ATOM 1428 CB LEU A 94 7.367 -1.728 1.189 1.00 0.00 C ATOM 1429 CG LEU A 94 8.589 -1.985 2.070 1.00 0.00 C ATOM 1430 CD1 LEU A 94 9.544 -0.802 2.015 1.00 0.00 C ATOM 1431 CD2 LEU A 94 8.161 -2.262 3.501 1.00 0.00 C ATOM 0 H LEU A 94 8.228 -4.463 0.868 1.00 0.00 H new ATOM 0 HA LEU A 94 5.926 -2.836 0.027 1.00 0.00 H new ATOM 0 HB2 LEU A 94 7.550 -0.835 0.591 1.00 0.00 H new ATOM 0 HB3 LEU A 94 6.514 -1.512 1.832 1.00 0.00 H new ATOM 0 HG LEU A 94 9.111 -2.864 1.691 1.00 0.00 H new ATOM 0 HD11 LEU A 94 10.408 -1.002 2.648 1.00 0.00 H new ATOM 0 HD12 LEU A 94 9.874 -0.649 0.988 1.00 0.00 H new ATOM 0 HD13 LEU A 94 9.034 0.094 2.370 1.00 0.00 H new ATOM 0 HD21 LEU A 94 9.043 -2.443 4.116 1.00 0.00 H new ATOM 0 HD22 LEU A 94 7.617 -1.402 3.891 1.00 0.00 H new ATOM 0 HD23 LEU A 94 7.516 -3.140 3.524 1.00 0.00 H new ATOM 1443 N ILE A 95 7.178 -1.963 -1.978 1.00 0.00 N ATOM 1444 CA ILE A 95 7.798 -1.707 -3.274 1.00 0.00 C ATOM 1445 C ILE A 95 7.791 -0.210 -3.575 1.00 0.00 C ATOM 1446 O ILE A 95 6.983 0.533 -3.024 1.00 0.00 O ATOM 1447 CB ILE A 95 7.092 -2.491 -4.411 1.00 0.00 C ATOM 1448 CG1 ILE A 95 6.055 -1.622 -5.135 1.00 0.00 C ATOM 1449 CG2 ILE A 95 6.428 -3.742 -3.858 1.00 0.00 C ATOM 1450 CD1 ILE A 95 6.585 -0.973 -6.395 1.00 0.00 C ATOM 0 H ILE A 95 6.278 -1.502 -1.846 1.00 0.00 H new ATOM 0 HA ILE A 95 8.829 -2.056 -3.225 1.00 0.00 H new ATOM 0 HB ILE A 95 7.854 -2.780 -5.135 1.00 0.00 H new ATOM 0 HG12 ILE A 95 5.191 -2.236 -5.388 1.00 0.00 H new ATOM 0 HG13 ILE A 95 5.705 -0.845 -4.455 1.00 0.00 H new ATOM 0 HG21 ILE A 95 5.937 -4.281 -4.668 1.00 0.00 H new ATOM 0 HG22 ILE A 95 7.182 -4.382 -3.400 1.00 0.00 H new ATOM 0 HG23 ILE A 95 5.688 -3.460 -3.109 1.00 0.00 H new ATOM 0 HD11 ILE A 95 5.799 -0.374 -6.854 1.00 0.00 H new ATOM 0 HD12 ILE A 95 7.431 -0.332 -6.146 1.00 0.00 H new ATOM 0 HD13 ILE A 95 6.908 -1.745 -7.094 1.00 0.00 H new ATOM 1462 N GLN A 96 8.708 0.232 -4.430 1.00 0.00 N ATOM 1463 CA GLN A 96 8.793 1.644 -4.782 1.00 0.00 C ATOM 1464 C GLN A 96 9.253 1.819 -6.225 1.00 0.00 C ATOM 1465 O GLN A 96 9.638 0.854 -6.887 1.00 0.00 O ATOM 1466 CB GLN A 96 9.750 2.374 -3.836 1.00 0.00 C ATOM 1467 CG GLN A 96 11.027 1.604 -3.545 1.00 0.00 C ATOM 1468 CD GLN A 96 10.984 0.884 -2.211 1.00 0.00 C ATOM 1469 OE1 GLN A 96 11.261 1.473 -1.165 1.00 0.00 O ATOM 1470 NE2 GLN A 96 10.636 -0.397 -2.242 1.00 0.00 N ATOM 0 H GLN A 96 9.398 -0.363 -4.889 1.00 0.00 H new ATOM 0 HA GLN A 96 7.797 2.076 -4.682 1.00 0.00 H new ATOM 0 HB2 GLN A 96 10.009 3.340 -4.270 1.00 0.00 H new ATOM 0 HB3 GLN A 96 9.235 2.575 -2.896 1.00 0.00 H new ATOM 0 HG2 GLN A 96 11.198 0.878 -4.340 1.00 0.00 H new ATOM 0 HG3 GLN A 96 11.872 2.292 -3.555 1.00 0.00 H new ATOM 0 HE21 GLN A 96 10.415 -0.844 -3.132 1.00 0.00 H new ATOM 0 HE22 GLN A 96 10.590 -0.934 -1.376 1.00 0.00 H new ATOM 1479 N LYS A 97 9.212 3.057 -6.706 1.00 0.00 N ATOM 1480 CA LYS A 97 9.626 3.363 -8.070 1.00 0.00 C ATOM 1481 C LYS A 97 10.461 4.640 -8.109 1.00 0.00 C ATOM 1482 O LYS A 97 11.487 4.654 -8.822 1.00 0.00 O ATOM 1483 CB LYS A 97 8.396 3.504 -8.976 1.00 0.00 C ATOM 1484 CG LYS A 97 8.633 4.347 -10.221 1.00 0.00 C ATOM 1485 CD LYS A 97 9.501 3.620 -11.236 1.00 0.00 C ATOM 1486 CE LYS A 97 10.186 4.594 -12.181 1.00 0.00 C ATOM 1487 NZ LYS A 97 10.554 3.950 -13.472 1.00 0.00 N ATOM 1488 OXT LYS A 97 10.084 5.615 -7.425 1.00 0.00 O ATOM 0 H LYS A 97 8.896 3.866 -6.171 1.00 0.00 H new ATOM 0 HA LYS A 97 10.242 2.541 -8.435 1.00 0.00 H new ATOM 0 HB2 LYS A 97 8.067 2.510 -9.281 1.00 0.00 H new ATOM 0 HB3 LYS A 97 7.583 3.947 -8.400 1.00 0.00 H new ATOM 0 HG2 LYS A 97 7.676 4.601 -10.676 1.00 0.00 H new ATOM 0 HG3 LYS A 97 9.111 5.285 -9.940 1.00 0.00 H new ATOM 0 HD2 LYS A 97 10.253 3.027 -10.715 1.00 0.00 H new ATOM 0 HD3 LYS A 97 8.888 2.925 -11.810 1.00 0.00 H new ATOM 0 HE2 LYS A 97 9.525 5.439 -12.373 1.00 0.00 H new ATOM 0 HE3 LYS A 97 11.082 4.992 -11.705 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 11.018 4.648 -14.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 11.205 3.159 -13.292 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 9.696 3.593 -13.939 1.00 0.00 H new