USER MOD reduce.3.24.130724 H: found=0, std=0, add=547, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 550 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 66 LYS NZ :NH3+ 175:sc= 0.319 (180deg=-0.551) USER MOD Set 1.2: A 100 SER OG : rot 78:sc= 2.46 USER MOD Set 2.1: A 73 TYR OH : rot 180:sc= 0.446 USER MOD Set 2.2: A 98 LYS NZ :NH3+ -128:sc= 0.504 (180deg=0) USER MOD Single : A 12 GLN :FLIP amide:sc= -0.0023 F(o=-0.99,f=-0.0023) USER MOD Single : A 46 GLN : amide:sc= -0.506 X(o=-0.51,f=-0.83) USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 SER OG : rot -84:sc= 1.33 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 ASN : amide:sc= 0 K(o=0,f=-0.79) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 THR OG1 : rot -90:sc= -1.11 USER MOD Single : A 68 LYS NZ :NH3+ 160:sc= 1.28 (180deg=1.06) USER MOD Single : A 72 ASN : amide:sc= 0 X(o=0,f=-0.013) USER MOD Single : A 76 GLN : amide:sc= -0.008 X(o=-0.008,f=-0.008) USER MOD Single : A 77 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 86 LYS NZ :NH3+ 136:sc= 0.683 (180deg=-0.0839) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 90 GLN : amide:sc= -0.236 X(o=-0.24,f=-0.077) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 21 N ALA A 2 7.903 39.420 8.605 1.00 0.00 N ATOM 22 CA ALA A 2 9.261 38.846 8.616 1.00 0.00 C ATOM 23 C ALA A 2 9.259 37.312 8.617 1.00 0.00 C ATOM 24 O ALA A 2 9.890 36.685 7.768 1.00 0.00 O ATOM 25 CB ALA A 2 10.057 39.387 9.791 1.00 0.00 C ATOM 0 HA ALA A 2 9.743 39.154 7.688 1.00 0.00 H new ATOM 0 HB1 ALA A 2 11.057 38.953 9.784 1.00 0.00 H new ATOM 0 HB2 ALA A 2 10.132 40.472 9.711 1.00 0.00 H new ATOM 0 HB3 ALA A 2 9.555 39.125 10.722 1.00 0.00 H new ATOM 31 N ASP A 3 8.521 36.722 9.540 1.00 0.00 N ATOM 32 CA ASP A 3 8.421 35.267 9.654 1.00 0.00 C ATOM 33 C ASP A 3 7.748 34.698 8.430 1.00 0.00 C ATOM 34 O ASP A 3 8.152 33.674 7.882 1.00 0.00 O ATOM 35 CB ASP A 3 7.596 34.865 10.884 1.00 0.00 C ATOM 36 CG ASP A 3 8.230 35.204 12.206 1.00 0.00 C ATOM 37 OD1 ASP A 3 9.352 34.722 12.486 1.00 0.00 O ATOM 38 OD2 ASP A 3 7.628 35.955 12.998 1.00 0.00 O ATOM 0 H ASP A 3 7.973 37.231 10.233 1.00 0.00 H new ATOM 0 HA ASP A 3 9.433 34.874 9.751 1.00 0.00 H new ATOM 0 HB2 ASP A 3 6.623 35.354 10.827 1.00 0.00 H new ATOM 0 HB3 ASP A 3 7.416 33.791 10.848 1.00 0.00 H new ATOM 43 N GLU A 4 6.753 35.411 8.006 1.00 0.00 N ATOM 44 CA GLU A 4 5.915 35.071 6.892 1.00 0.00 C ATOM 45 C GLU A 4 6.731 35.025 5.597 1.00 0.00 C ATOM 46 O GLU A 4 6.709 34.018 4.871 1.00 0.00 O ATOM 47 CB GLU A 4 4.855 36.141 6.821 1.00 0.00 C ATOM 48 CG GLU A 4 3.815 36.005 5.762 1.00 0.00 C ATOM 49 CD GLU A 4 2.960 37.233 5.746 1.00 0.00 C ATOM 50 OE1 GLU A 4 2.277 37.505 6.740 1.00 0.00 O ATOM 51 OE2 GLU A 4 3.005 37.995 4.767 1.00 0.00 O ATOM 0 H GLU A 4 6.487 36.291 8.448 1.00 0.00 H new ATOM 0 HA GLU A 4 5.469 34.084 7.017 1.00 0.00 H new ATOM 0 HB2 GLU A 4 4.350 36.180 7.786 1.00 0.00 H new ATOM 0 HB3 GLU A 4 5.353 37.101 6.683 1.00 0.00 H new ATOM 0 HG2 GLU A 4 4.287 35.864 4.789 1.00 0.00 H new ATOM 0 HG3 GLU A 4 3.202 35.124 5.950 1.00 0.00 H new ATOM 58 N GLU A 5 7.466 36.096 5.333 1.00 0.00 N ATOM 59 CA GLU A 5 8.261 36.190 4.138 1.00 0.00 C ATOM 60 C GLU A 5 9.396 35.189 4.176 1.00 0.00 C ATOM 61 O GLU A 5 9.656 34.538 3.194 1.00 0.00 O ATOM 62 CB GLU A 5 8.779 37.633 3.880 1.00 0.00 C ATOM 63 CG GLU A 5 9.698 38.205 4.956 1.00 0.00 C ATOM 64 CD GLU A 5 10.218 39.582 4.623 1.00 0.00 C ATOM 65 OE1 GLU A 5 9.502 40.581 4.829 1.00 0.00 O ATOM 66 OE2 GLU A 5 11.373 39.701 4.145 1.00 0.00 O ATOM 0 H GLU A 5 7.522 36.913 5.942 1.00 0.00 H new ATOM 0 HA GLU A 5 7.614 35.944 3.296 1.00 0.00 H new ATOM 0 HB2 GLU A 5 9.311 37.644 2.929 1.00 0.00 H new ATOM 0 HB3 GLU A 5 7.920 38.295 3.772 1.00 0.00 H new ATOM 0 HG2 GLU A 5 9.158 38.247 5.902 1.00 0.00 H new ATOM 0 HG3 GLU A 5 10.542 37.530 5.100 1.00 0.00 H new ATOM 73 N LEU A 6 10.004 35.011 5.343 1.00 0.00 N ATOM 74 CA LEU A 6 11.137 34.108 5.498 1.00 0.00 C ATOM 75 C LEU A 6 10.736 32.654 5.192 1.00 0.00 C ATOM 76 O LEU A 6 11.490 31.921 4.535 1.00 0.00 O ATOM 77 CB LEU A 6 11.741 34.245 6.906 1.00 0.00 C ATOM 78 CG LEU A 6 13.069 33.518 7.167 1.00 0.00 C ATOM 79 CD1 LEU A 6 14.146 34.015 6.219 1.00 0.00 C ATOM 80 CD2 LEU A 6 13.511 33.723 8.606 1.00 0.00 C ATOM 0 H LEU A 6 9.728 35.485 6.203 1.00 0.00 H new ATOM 0 HA LEU A 6 11.903 34.388 4.774 1.00 0.00 H new ATOM 0 HB2 LEU A 6 11.889 35.305 7.110 1.00 0.00 H new ATOM 0 HB3 LEU A 6 11.008 33.881 7.626 1.00 0.00 H new ATOM 0 HG LEU A 6 12.914 32.453 6.993 1.00 0.00 H new ATOM 0 HD11 LEU A 6 15.079 33.488 6.420 1.00 0.00 H new ATOM 0 HD12 LEU A 6 13.839 33.830 5.190 1.00 0.00 H new ATOM 0 HD13 LEU A 6 14.295 35.085 6.366 1.00 0.00 H new ATOM 0 HD21 LEU A 6 14.453 33.202 8.775 1.00 0.00 H new ATOM 0 HD22 LEU A 6 13.646 34.788 8.797 1.00 0.00 H new ATOM 0 HD23 LEU A 6 12.751 33.327 9.280 1.00 0.00 H new ATOM 92 N GLU A 7 9.535 32.260 5.630 1.00 0.00 N ATOM 93 CA GLU A 7 9.013 30.918 5.357 1.00 0.00 C ATOM 94 C GLU A 7 8.844 30.737 3.845 1.00 0.00 C ATOM 95 O GLU A 7 9.252 29.718 3.261 1.00 0.00 O ATOM 96 CB GLU A 7 7.652 30.713 6.040 1.00 0.00 C ATOM 97 CG GLU A 7 7.162 29.267 6.034 1.00 0.00 C ATOM 98 CD GLU A 7 5.772 29.106 6.614 1.00 0.00 C ATOM 99 OE1 GLU A 7 5.506 29.595 7.744 1.00 0.00 O ATOM 100 OE2 GLU A 7 4.904 28.490 5.964 1.00 0.00 O ATOM 0 H GLU A 7 8.907 32.852 6.175 1.00 0.00 H new ATOM 0 HA GLU A 7 9.719 30.186 5.750 1.00 0.00 H new ATOM 0 HB2 GLU A 7 7.720 31.058 7.072 1.00 0.00 H new ATOM 0 HB3 GLU A 7 6.910 31.339 5.543 1.00 0.00 H new ATOM 0 HG2 GLU A 7 7.167 28.893 5.010 1.00 0.00 H new ATOM 0 HG3 GLU A 7 7.859 28.651 6.602 1.00 0.00 H new ATOM 107 N ALA A 8 8.277 31.756 3.219 1.00 0.00 N ATOM 108 CA ALA A 8 8.028 31.753 1.793 1.00 0.00 C ATOM 109 C ALA A 8 9.340 31.746 1.016 1.00 0.00 C ATOM 110 O ALA A 8 9.480 31.013 0.033 1.00 0.00 O ATOM 111 CB ALA A 8 7.182 32.954 1.400 1.00 0.00 C ATOM 0 H ALA A 8 7.977 32.609 3.690 1.00 0.00 H new ATOM 0 HA ALA A 8 7.479 30.845 1.543 1.00 0.00 H new ATOM 0 HB1 ALA A 8 7.004 32.937 0.325 1.00 0.00 H new ATOM 0 HB2 ALA A 8 6.228 32.915 1.927 1.00 0.00 H new ATOM 0 HB3 ALA A 8 7.707 33.871 1.666 1.00 0.00 H new ATOM 117 N LEU A 9 10.298 32.540 1.484 1.00 0.00 N ATOM 118 CA LEU A 9 11.607 32.646 0.877 1.00 0.00 C ATOM 119 C LEU A 9 12.342 31.326 0.903 1.00 0.00 C ATOM 120 O LEU A 9 12.928 30.937 -0.090 1.00 0.00 O ATOM 121 CB LEU A 9 12.447 33.727 1.554 1.00 0.00 C ATOM 122 CG LEU A 9 11.945 35.171 1.435 1.00 0.00 C ATOM 123 CD1 LEU A 9 12.902 36.121 2.116 1.00 0.00 C ATOM 124 CD2 LEU A 9 11.737 35.578 -0.017 1.00 0.00 C ATOM 0 H LEU A 9 10.179 33.132 2.306 1.00 0.00 H new ATOM 0 HA LEU A 9 11.451 32.929 -0.164 1.00 0.00 H new ATOM 0 HB2 LEU A 9 12.526 33.482 2.613 1.00 0.00 H new ATOM 0 HB3 LEU A 9 13.454 33.683 1.140 1.00 0.00 H new ATOM 0 HG LEU A 9 10.978 35.224 1.934 1.00 0.00 H new ATOM 0 HD11 LEU A 9 12.530 37.141 2.022 1.00 0.00 H new ATOM 0 HD12 LEU A 9 12.984 35.861 3.171 1.00 0.00 H new ATOM 0 HD13 LEU A 9 13.883 36.048 1.647 1.00 0.00 H new ATOM 0 HD21 LEU A 9 11.381 36.607 -0.059 1.00 0.00 H new ATOM 0 HD22 LEU A 9 12.681 35.498 -0.556 1.00 0.00 H new ATOM 0 HD23 LEU A 9 11.000 34.920 -0.477 1.00 0.00 H new ATOM 136 N ARG A 10 12.288 30.623 2.031 1.00 0.00 N ATOM 137 CA ARG A 10 12.936 29.315 2.145 1.00 0.00 C ATOM 138 C ARG A 10 12.378 28.351 1.100 1.00 0.00 C ATOM 139 O ARG A 10 13.132 27.621 0.431 1.00 0.00 O ATOM 140 CB ARG A 10 12.747 28.728 3.539 1.00 0.00 C ATOM 141 CG ARG A 10 13.449 27.393 3.732 1.00 0.00 C ATOM 142 CD ARG A 10 13.235 26.857 5.125 1.00 0.00 C ATOM 143 NE ARG A 10 13.962 25.609 5.348 1.00 0.00 N ATOM 144 CZ ARG A 10 14.515 25.256 6.515 1.00 0.00 C ATOM 145 NH1 ARG A 10 14.369 26.030 7.591 1.00 0.00 N ATOM 146 NH2 ARG A 10 15.192 24.130 6.614 1.00 0.00 N ATOM 0 H ARG A 10 11.806 30.932 2.875 1.00 0.00 H new ATOM 0 HA ARG A 10 14.003 29.456 1.971 1.00 0.00 H new ATOM 0 HB2 ARG A 10 13.121 29.437 4.278 1.00 0.00 H new ATOM 0 HB3 ARG A 10 11.681 28.601 3.730 1.00 0.00 H new ATOM 0 HG2 ARG A 10 13.075 26.675 3.002 1.00 0.00 H new ATOM 0 HG3 ARG A 10 14.516 27.511 3.546 1.00 0.00 H new ATOM 0 HD2 ARG A 10 13.559 27.600 5.853 1.00 0.00 H new ATOM 0 HD3 ARG A 10 12.170 26.691 5.290 1.00 0.00 H new ATOM 0 HE ARG A 10 14.054 24.964 4.563 1.00 0.00 H new ATOM 0 HH11 ARG A 10 13.834 26.896 7.527 1.00 0.00 H new ATOM 0 HH12 ARG A 10 14.793 25.756 8.478 1.00 0.00 H new ATOM 0 HH21 ARG A 10 15.296 23.524 5.800 1.00 0.00 H new ATOM 0 HH22 ARG A 10 15.612 23.864 7.505 1.00 0.00 H new ATOM 160 N ARG A 11 11.063 28.377 0.952 1.00 0.00 N ATOM 161 CA ARG A 11 10.376 27.554 -0.030 1.00 0.00 C ATOM 162 C ARG A 11 10.775 27.957 -1.446 1.00 0.00 C ATOM 163 O ARG A 11 11.019 27.096 -2.305 1.00 0.00 O ATOM 164 CB ARG A 11 8.867 27.666 0.138 1.00 0.00 C ATOM 165 CG ARG A 11 8.310 26.995 1.377 1.00 0.00 C ATOM 166 CD ARG A 11 6.827 27.287 1.522 1.00 0.00 C ATOM 167 NE ARG A 11 6.181 26.403 2.486 1.00 0.00 N ATOM 168 CZ ARG A 11 4.866 26.363 2.725 1.00 0.00 C ATOM 169 NH1 ARG A 11 4.034 27.225 2.122 1.00 0.00 N ATOM 170 NH2 ARG A 11 4.386 25.459 3.561 1.00 0.00 N ATOM 0 H ARG A 11 10.444 28.967 1.507 1.00 0.00 H new ATOM 0 HA ARG A 11 10.671 26.517 0.133 1.00 0.00 H new ATOM 0 HB2 ARG A 11 8.596 28.722 0.162 1.00 0.00 H new ATOM 0 HB3 ARG A 11 8.386 27.233 -0.739 1.00 0.00 H new ATOM 0 HG2 ARG A 11 8.470 25.918 1.317 1.00 0.00 H new ATOM 0 HG3 ARG A 11 8.844 27.348 2.259 1.00 0.00 H new ATOM 0 HD2 ARG A 11 6.692 28.323 1.834 1.00 0.00 H new ATOM 0 HD3 ARG A 11 6.341 27.180 0.552 1.00 0.00 H new ATOM 0 HE ARG A 11 6.777 25.768 3.017 1.00 0.00 H new ATOM 0 HH11 ARG A 11 4.403 27.921 1.473 1.00 0.00 H new ATOM 0 HH12 ARG A 11 3.033 27.185 2.312 1.00 0.00 H new ATOM 0 HH21 ARG A 11 5.017 24.800 4.017 1.00 0.00 H new ATOM 0 HH22 ARG A 11 3.384 25.420 3.750 1.00 0.00 H new ATOM 184 N GLN A 12 10.871 29.256 -1.672 1.00 0.00 N ATOM 185 CA GLN A 12 11.245 29.791 -2.965 1.00 0.00 C ATOM 186 C GLN A 12 12.665 29.388 -3.298 1.00 0.00 C ATOM 187 O GLN A 12 12.929 28.893 -4.382 1.00 0.00 O ATOM 188 CB GLN A 12 11.136 31.310 -2.975 1.00 0.00 C ATOM 189 CG GLN A 12 11.406 31.925 -4.337 1.00 0.00 C ATOM 190 CD GLN A 12 11.386 33.433 -4.331 1.00 0.00 C ATOM 191 OE1 GLN A 12 11.862 34.035 -3.272 1.00 0.00 O flip ATOM 192 NE2 GLN A 12 11.003 34.056 -5.324 1.00 0.00 N flip ATOM 0 H GLN A 12 10.691 29.967 -0.963 1.00 0.00 H new ATOM 0 HA GLN A 12 10.563 29.385 -3.712 1.00 0.00 H new ATOM 0 HB2 GLN A 12 10.137 31.597 -2.646 1.00 0.00 H new ATOM 0 HB3 GLN A 12 11.840 31.722 -2.252 1.00 0.00 H new ATOM 0 HG2 GLN A 12 12.377 31.584 -4.695 1.00 0.00 H new ATOM 0 HG3 GLN A 12 10.660 31.562 -5.045 1.00 0.00 H new ATOM 0 HE21 GLN A 12 10.637 33.553 -6.132 1.00 0.00 H new ATOM 0 HE22 GLN A 12 11.052 35.075 -5.337 1.00 0.00 H new ATOM 201 N ARG A 13 13.553 29.559 -2.329 1.00 0.00 N ATOM 202 CA ARG A 13 14.959 29.241 -2.469 1.00 0.00 C ATOM 203 C ARG A 13 15.126 27.778 -2.890 1.00 0.00 C ATOM 204 O ARG A 13 15.958 27.468 -3.727 1.00 0.00 O ATOM 205 CB ARG A 13 15.688 29.476 -1.145 1.00 0.00 C ATOM 206 CG ARG A 13 17.202 29.434 -1.255 1.00 0.00 C ATOM 207 CD ARG A 13 17.814 30.834 -1.330 1.00 0.00 C ATOM 208 NE ARG A 13 17.261 31.690 -2.401 1.00 0.00 N ATOM 209 CZ ARG A 13 17.778 32.873 -2.769 1.00 0.00 C ATOM 210 NH1 ARG A 13 18.944 33.299 -2.264 1.00 0.00 N ATOM 211 NH2 ARG A 13 17.145 33.604 -3.673 1.00 0.00 N ATOM 0 H ARG A 13 13.309 29.929 -1.410 1.00 0.00 H new ATOM 0 HA ARG A 13 15.388 29.889 -3.234 1.00 0.00 H new ATOM 0 HB2 ARG A 13 15.390 30.446 -0.746 1.00 0.00 H new ATOM 0 HB3 ARG A 13 15.366 28.723 -0.426 1.00 0.00 H new ATOM 0 HG2 ARG A 13 17.613 28.905 -0.395 1.00 0.00 H new ATOM 0 HG3 ARG A 13 17.485 28.868 -2.142 1.00 0.00 H new ATOM 0 HD2 ARG A 13 17.667 31.333 -0.372 1.00 0.00 H new ATOM 0 HD3 ARG A 13 18.890 30.739 -1.478 1.00 0.00 H new ATOM 0 HE ARG A 13 16.431 31.360 -2.893 1.00 0.00 H new ATOM 0 HH11 ARG A 13 19.450 32.722 -1.592 1.00 0.00 H new ATOM 0 HH12 ARG A 13 19.326 34.200 -2.552 1.00 0.00 H new ATOM 0 HH21 ARG A 13 16.274 33.267 -4.082 1.00 0.00 H new ATOM 0 HH22 ARG A 13 17.529 34.504 -3.960 1.00 0.00 H new ATOM 225 N LEU A 14 14.286 26.899 -2.328 1.00 0.00 N ATOM 226 CA LEU A 14 14.312 25.475 -2.648 1.00 0.00 C ATOM 227 C LEU A 14 13.926 25.238 -4.114 1.00 0.00 C ATOM 228 O LEU A 14 14.444 24.329 -4.771 1.00 0.00 O ATOM 229 CB LEU A 14 13.371 24.698 -1.699 1.00 0.00 C ATOM 230 CG LEU A 14 13.249 23.179 -1.921 1.00 0.00 C ATOM 231 CD1 LEU A 14 14.600 22.491 -1.783 1.00 0.00 C ATOM 232 CD2 LEU A 14 12.245 22.581 -0.943 1.00 0.00 C ATOM 0 H LEU A 14 13.575 27.158 -1.644 1.00 0.00 H new ATOM 0 HA LEU A 14 15.328 25.107 -2.506 1.00 0.00 H new ATOM 0 HB2 LEU A 14 13.709 24.864 -0.676 1.00 0.00 H new ATOM 0 HB3 LEU A 14 12.375 25.133 -1.780 1.00 0.00 H new ATOM 0 HG LEU A 14 12.892 23.014 -2.938 1.00 0.00 H new ATOM 0 HD11 LEU A 14 14.481 21.420 -1.945 1.00 0.00 H new ATOM 0 HD12 LEU A 14 15.291 22.895 -2.522 1.00 0.00 H new ATOM 0 HD13 LEU A 14 14.996 22.665 -0.783 1.00 0.00 H new ATOM 0 HD21 LEU A 14 12.169 21.507 -1.111 1.00 0.00 H new ATOM 0 HD22 LEU A 14 12.578 22.766 0.078 1.00 0.00 H new ATOM 0 HD23 LEU A 14 11.269 23.042 -1.096 1.00 0.00 H new ATOM 656 N ILE A 43 1.110 -2.271 -1.249 1.00 0.00 N ATOM 657 CA ILE A 43 0.375 -3.369 -0.655 1.00 0.00 C ATOM 658 C ILE A 43 -0.838 -3.738 -1.494 1.00 0.00 C ATOM 659 O ILE A 43 -1.121 -4.907 -1.693 1.00 0.00 O ATOM 660 CB ILE A 43 0.037 -3.196 0.848 1.00 0.00 C ATOM 661 CG1 ILE A 43 -0.767 -1.918 1.119 1.00 0.00 C ATOM 662 CG2 ILE A 43 1.313 -3.235 1.671 1.00 0.00 C ATOM 663 CD1 ILE A 43 -1.050 -1.655 2.585 1.00 0.00 C ATOM 0 HA ILE A 43 1.062 -4.215 -0.665 1.00 0.00 H new ATOM 0 HB ILE A 43 -0.601 -4.027 1.148 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -0.223 -1.067 0.708 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -1.715 -1.979 0.584 1.00 0.00 H new ATOM 0 HG21 ILE A 43 1.069 -3.113 2.726 1.00 0.00 H new ATOM 0 HG22 ILE A 43 1.813 -4.192 1.522 1.00 0.00 H new ATOM 0 HG23 ILE A 43 1.974 -2.428 1.356 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -1.622 -0.733 2.685 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -1.623 -2.484 2.999 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -0.108 -1.558 3.126 1.00 0.00 H new ATOM 675 N LEU A 44 -1.507 -2.742 -2.059 1.00 0.00 N ATOM 676 CA LEU A 44 -2.621 -3.035 -2.939 1.00 0.00 C ATOM 677 C LEU A 44 -2.104 -3.426 -4.316 1.00 0.00 C ATOM 678 O LEU A 44 -2.716 -4.212 -4.996 1.00 0.00 O ATOM 679 CB LEU A 44 -3.640 -1.877 -3.079 1.00 0.00 C ATOM 680 CG LEU A 44 -4.421 -1.441 -1.828 1.00 0.00 C ATOM 681 CD1 LEU A 44 -3.592 -0.547 -0.930 1.00 0.00 C ATOM 682 CD2 LEU A 44 -5.718 -0.754 -2.222 1.00 0.00 C ATOM 0 H LEU A 44 -1.303 -1.751 -1.927 1.00 0.00 H new ATOM 0 HA LEU A 44 -3.159 -3.862 -2.476 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -3.105 -1.006 -3.457 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -4.365 -2.162 -3.842 1.00 0.00 H new ATOM 0 HG LEU A 44 -4.660 -2.340 -1.260 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -4.180 -0.261 -0.058 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -2.700 -1.083 -0.606 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -3.298 0.348 -1.479 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -6.257 -0.452 -1.324 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -5.495 0.127 -2.824 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -6.333 -1.443 -2.801 1.00 0.00 H new ATOM 694 N ALA A 45 -0.966 -2.870 -4.706 1.00 0.00 N ATOM 695 CA ALA A 45 -0.354 -3.156 -6.005 1.00 0.00 C ATOM 696 C ALA A 45 0.218 -4.576 -6.091 1.00 0.00 C ATOM 697 O ALA A 45 0.419 -5.096 -7.188 1.00 0.00 O ATOM 698 CB ALA A 45 0.716 -2.131 -6.336 1.00 0.00 C ATOM 0 H ALA A 45 -0.438 -2.209 -4.136 1.00 0.00 H new ATOM 0 HA ALA A 45 -1.151 -3.089 -6.746 1.00 0.00 H new ATOM 0 HB1 ALA A 45 1.156 -2.365 -7.305 1.00 0.00 H new ATOM 0 HB2 ALA A 45 0.270 -1.137 -6.370 1.00 0.00 H new ATOM 0 HB3 ALA A 45 1.492 -2.154 -5.570 1.00 0.00 H new ATOM 704 N GLN A 46 0.519 -5.182 -4.957 1.00 0.00 N ATOM 705 CA GLN A 46 0.983 -6.562 -4.972 1.00 0.00 C ATOM 706 C GLN A 46 -0.172 -7.528 -4.990 1.00 0.00 C ATOM 707 O GLN A 46 -0.083 -8.599 -5.606 1.00 0.00 O ATOM 708 CB GLN A 46 1.947 -6.885 -3.827 1.00 0.00 C ATOM 709 CG GLN A 46 3.332 -6.281 -3.997 1.00 0.00 C ATOM 710 CD GLN A 46 3.992 -6.719 -5.295 1.00 0.00 C ATOM 711 OE1 GLN A 46 3.859 -6.063 -6.329 1.00 0.00 O ATOM 712 NE2 GLN A 46 4.698 -7.820 -5.259 1.00 0.00 N ATOM 0 H GLN A 46 0.454 -4.755 -4.033 1.00 0.00 H new ATOM 0 HA GLN A 46 1.548 -6.680 -5.896 1.00 0.00 H new ATOM 0 HB2 GLN A 46 1.517 -6.526 -2.892 1.00 0.00 H new ATOM 0 HB3 GLN A 46 2.042 -7.967 -3.740 1.00 0.00 H new ATOM 0 HG2 GLN A 46 3.258 -5.194 -3.978 1.00 0.00 H new ATOM 0 HG3 GLN A 46 3.960 -6.573 -3.155 1.00 0.00 H new ATOM 0 HE21 GLN A 46 4.788 -8.340 -4.386 1.00 0.00 H new ATOM 0 HE22 GLN A 46 5.158 -8.159 -6.104 1.00 0.00 H new ATOM 721 N VAL A 47 -1.262 -7.163 -4.327 1.00 0.00 N ATOM 722 CA VAL A 47 -2.424 -8.027 -4.314 1.00 0.00 C ATOM 723 C VAL A 47 -3.190 -7.861 -5.603 1.00 0.00 C ATOM 724 O VAL A 47 -3.644 -8.815 -6.177 1.00 0.00 O ATOM 725 CB VAL A 47 -3.398 -7.767 -3.128 1.00 0.00 C ATOM 726 CG1 VAL A 47 -4.441 -8.877 -3.055 1.00 0.00 C ATOM 727 CG2 VAL A 47 -2.672 -7.643 -1.806 1.00 0.00 C ATOM 0 H VAL A 47 -1.361 -6.293 -3.803 1.00 0.00 H new ATOM 0 HA VAL A 47 -2.040 -9.040 -4.196 1.00 0.00 H new ATOM 0 HB VAL A 47 -3.892 -6.814 -3.315 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -5.118 -8.686 -2.222 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -5.009 -8.904 -3.985 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -3.943 -9.835 -2.906 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -3.394 -7.462 -1.010 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -2.129 -8.566 -1.601 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -1.969 -6.812 -1.854 1.00 0.00 H new ATOM 737 N LEU A 48 -3.312 -6.653 -6.054 1.00 0.00 N ATOM 738 CA LEU A 48 -4.062 -6.367 -7.243 1.00 0.00 C ATOM 739 C LEU A 48 -3.139 -6.155 -8.405 1.00 0.00 C ATOM 740 O LEU A 48 -2.289 -5.254 -8.382 1.00 0.00 O ATOM 741 CB LEU A 48 -4.912 -5.106 -7.066 1.00 0.00 C ATOM 742 CG LEU A 48 -5.919 -5.103 -5.915 1.00 0.00 C ATOM 743 CD1 LEU A 48 -6.636 -3.766 -5.848 1.00 0.00 C ATOM 744 CD2 LEU A 48 -6.919 -6.230 -6.073 1.00 0.00 C ATOM 0 H LEU A 48 -2.896 -5.834 -5.611 1.00 0.00 H new ATOM 0 HA LEU A 48 -4.713 -7.221 -7.432 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -4.238 -4.260 -6.929 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -5.457 -4.932 -7.994 1.00 0.00 H new ATOM 0 HG LEU A 48 -5.376 -5.257 -4.983 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -7.350 -3.777 -5.025 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -5.908 -2.971 -5.687 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -7.165 -3.589 -6.785 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -7.625 -6.209 -5.243 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -7.459 -6.109 -7.012 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -6.393 -7.185 -6.077 1.00 0.00 H new ATOM 756 N ASP A 49 -3.294 -6.971 -9.416 1.00 0.00 N ATOM 757 CA ASP A 49 -2.582 -6.790 -10.662 1.00 0.00 C ATOM 758 C ASP A 49 -3.041 -5.484 -11.292 1.00 0.00 C ATOM 759 O ASP A 49 -4.094 -4.963 -10.930 1.00 0.00 O ATOM 760 CB ASP A 49 -2.842 -7.972 -11.630 1.00 0.00 C ATOM 761 CG ASP A 49 -2.241 -7.744 -13.011 1.00 0.00 C ATOM 762 OD1 ASP A 49 -1.009 -7.820 -13.163 1.00 0.00 O ATOM 763 OD2 ASP A 49 -3.001 -7.388 -13.944 1.00 0.00 O ATOM 0 H ASP A 49 -3.916 -7.780 -9.402 1.00 0.00 H new ATOM 0 HA ASP A 49 -1.511 -6.758 -10.464 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -2.425 -8.884 -11.203 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -3.917 -8.127 -11.727 1.00 0.00 H new ATOM 768 N GLN A 50 -2.261 -4.968 -12.208 1.00 0.00 N ATOM 769 CA GLN A 50 -2.556 -3.732 -12.928 1.00 0.00 C ATOM 770 C GLN A 50 -3.981 -3.736 -13.507 1.00 0.00 C ATOM 771 O GLN A 50 -4.634 -2.700 -13.548 1.00 0.00 O ATOM 772 CB GLN A 50 -1.532 -3.511 -14.039 1.00 0.00 C ATOM 773 CG GLN A 50 -1.699 -2.199 -14.784 1.00 0.00 C ATOM 774 CD GLN A 50 -0.636 -2.000 -15.822 1.00 0.00 C ATOM 775 OE1 GLN A 50 0.419 -1.449 -15.535 1.00 0.00 O ATOM 776 NE2 GLN A 50 -0.899 -2.422 -17.026 1.00 0.00 N ATOM 0 H GLN A 50 -1.380 -5.398 -12.488 1.00 0.00 H new ATOM 0 HA GLN A 50 -2.493 -2.910 -12.215 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -0.531 -3.547 -13.608 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -1.602 -4.333 -14.752 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -2.679 -2.176 -15.260 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -1.670 -1.373 -14.073 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -1.791 -2.876 -17.224 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -0.213 -2.298 -17.771 1.00 0.00 H new ATOM 785 N SER A 51 -4.465 -4.907 -13.891 1.00 0.00 N ATOM 786 CA SER A 51 -5.798 -5.036 -14.418 1.00 0.00 C ATOM 787 C SER A 51 -6.826 -4.693 -13.337 1.00 0.00 C ATOM 788 O SER A 51 -7.728 -3.881 -13.551 1.00 0.00 O ATOM 789 CB SER A 51 -6.003 -6.448 -14.968 1.00 0.00 C ATOM 790 OG SER A 51 -5.590 -7.439 -14.022 1.00 0.00 O ATOM 0 H SER A 51 -3.944 -5.782 -13.844 1.00 0.00 H new ATOM 0 HA SER A 51 -5.937 -4.333 -15.240 1.00 0.00 H new ATOM 0 HB2 SER A 51 -7.054 -6.595 -15.216 1.00 0.00 H new ATOM 0 HB3 SER A 51 -5.438 -6.566 -15.892 1.00 0.00 H new ATOM 0 HG SER A 51 -4.624 -7.586 -14.103 1.00 0.00 H new ATOM 796 N ALA A 52 -6.631 -5.260 -12.157 1.00 0.00 N ATOM 797 CA ALA A 52 -7.496 -5.021 -11.029 1.00 0.00 C ATOM 798 C ALA A 52 -7.321 -3.595 -10.531 1.00 0.00 C ATOM 799 O ALA A 52 -8.268 -2.963 -10.121 1.00 0.00 O ATOM 800 CB ALA A 52 -7.217 -6.019 -9.928 1.00 0.00 C ATOM 0 H ALA A 52 -5.862 -5.901 -11.961 1.00 0.00 H new ATOM 0 HA ALA A 52 -8.532 -5.150 -11.343 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -7.879 -5.824 -9.084 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -7.391 -7.029 -10.300 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -6.180 -5.924 -9.605 1.00 0.00 H new ATOM 806 N ARG A 53 -6.099 -3.096 -10.601 1.00 0.00 N ATOM 807 CA ARG A 53 -5.794 -1.717 -10.223 1.00 0.00 C ATOM 808 C ARG A 53 -6.542 -0.729 -11.119 1.00 0.00 C ATOM 809 O ARG A 53 -7.122 0.252 -10.636 1.00 0.00 O ATOM 810 CB ARG A 53 -4.289 -1.451 -10.293 1.00 0.00 C ATOM 811 CG ARG A 53 -3.451 -2.139 -9.214 1.00 0.00 C ATOM 812 CD ARG A 53 -3.763 -1.586 -7.834 1.00 0.00 C ATOM 813 NE ARG A 53 -3.499 -0.137 -7.774 1.00 0.00 N ATOM 814 CZ ARG A 53 -3.717 0.660 -6.718 1.00 0.00 C ATOM 815 NH1 ARG A 53 -4.251 0.177 -5.604 1.00 0.00 N ATOM 816 NH2 ARG A 53 -3.418 1.944 -6.790 1.00 0.00 N ATOM 0 H ARG A 53 -5.290 -3.629 -10.920 1.00 0.00 H new ATOM 0 HA ARG A 53 -6.124 -1.575 -9.194 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -3.926 -1.770 -11.270 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -4.124 -0.376 -10.227 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -3.644 -3.212 -9.230 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -2.392 -2.002 -9.432 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -4.807 -1.780 -7.588 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -3.159 -2.101 -7.087 1.00 0.00 H new ATOM 0 HE ARG A 53 -3.115 0.299 -8.612 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -4.500 -0.810 -5.544 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -4.412 0.793 -4.807 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -3.022 2.328 -7.648 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -3.583 2.552 -5.988 1.00 0.00 H new ATOM 830 N ALA A 54 -6.542 -1.002 -12.407 1.00 0.00 N ATOM 831 CA ALA A 54 -7.243 -0.178 -13.366 1.00 0.00 C ATOM 832 C ALA A 54 -8.742 -0.305 -13.166 1.00 0.00 C ATOM 833 O ALA A 54 -9.470 0.685 -13.219 1.00 0.00 O ATOM 834 CB ALA A 54 -6.860 -0.561 -14.786 1.00 0.00 C ATOM 0 H ALA A 54 -6.057 -1.800 -12.817 1.00 0.00 H new ATOM 0 HA ALA A 54 -6.955 0.861 -13.206 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -7.399 0.071 -15.491 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -5.787 -0.425 -14.923 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -7.119 -1.605 -14.964 1.00 0.00 H new ATOM 840 N ARG A 55 -9.190 -1.521 -12.897 1.00 0.00 N ATOM 841 CA ARG A 55 -10.597 -1.808 -12.661 1.00 0.00 C ATOM 842 C ARG A 55 -11.054 -1.085 -11.392 1.00 0.00 C ATOM 843 O ARG A 55 -12.165 -0.567 -11.320 1.00 0.00 O ATOM 844 CB ARG A 55 -10.790 -3.314 -12.491 1.00 0.00 C ATOM 845 CG ARG A 55 -12.202 -3.804 -12.735 1.00 0.00 C ATOM 846 CD ARG A 55 -12.566 -3.630 -14.201 1.00 0.00 C ATOM 847 NE ARG A 55 -13.851 -4.233 -14.554 1.00 0.00 N ATOM 848 CZ ARG A 55 -14.086 -4.899 -15.697 1.00 0.00 C ATOM 849 NH1 ARG A 55 -13.072 -5.262 -16.487 1.00 0.00 N ATOM 850 NH2 ARG A 55 -15.322 -5.266 -16.005 1.00 0.00 N ATOM 0 H ARG A 55 -8.586 -2.341 -12.836 1.00 0.00 H new ATOM 0 HA ARG A 55 -11.188 -1.463 -13.510 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -10.117 -3.832 -13.175 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -10.493 -3.592 -11.480 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -12.285 -4.854 -12.453 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -12.902 -3.249 -12.110 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -12.595 -2.566 -14.437 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -11.783 -4.072 -14.817 1.00 0.00 H new ATOM 0 HE ARG A 55 -14.619 -4.142 -13.889 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -12.113 -5.034 -16.224 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -13.256 -5.767 -17.354 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -16.092 -5.043 -15.375 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -15.503 -5.772 -16.872 1.00 0.00 H new ATOM 864 N LEU A 56 -10.166 -1.044 -10.413 1.00 0.00 N ATOM 865 CA LEU A 56 -10.388 -0.367 -9.148 1.00 0.00 C ATOM 866 C LEU A 56 -10.687 1.103 -9.389 1.00 0.00 C ATOM 867 O LEU A 56 -11.597 1.662 -8.784 1.00 0.00 O ATOM 868 CB LEU A 56 -9.146 -0.506 -8.250 1.00 0.00 C ATOM 869 CG LEU A 56 -9.231 0.115 -6.854 1.00 0.00 C ATOM 870 CD1 LEU A 56 -10.288 -0.585 -6.020 1.00 0.00 C ATOM 871 CD2 LEU A 56 -7.878 0.061 -6.164 1.00 0.00 C ATOM 0 H LEU A 56 -9.251 -1.490 -10.478 1.00 0.00 H new ATOM 0 HA LEU A 56 -11.241 -0.826 -8.649 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -8.926 -1.567 -8.137 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -8.299 -0.058 -8.770 1.00 0.00 H new ATOM 0 HG LEU A 56 -9.520 1.161 -6.960 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -10.333 -0.128 -5.031 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -11.258 -0.490 -6.508 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -10.034 -1.640 -5.921 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -7.957 0.507 -5.173 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -7.558 -0.977 -6.071 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -7.147 0.614 -6.753 1.00 0.00 H new ATOM 883 N SER A 57 -9.957 1.704 -10.320 1.00 0.00 N ATOM 884 CA SER A 57 -10.142 3.098 -10.634 1.00 0.00 C ATOM 885 C SER A 57 -11.517 3.336 -11.264 1.00 0.00 C ATOM 886 O SER A 57 -12.081 4.409 -11.113 1.00 0.00 O ATOM 887 CB SER A 57 -9.021 3.626 -11.536 1.00 0.00 C ATOM 888 OG SER A 57 -9.144 5.033 -11.722 1.00 0.00 O ATOM 0 H SER A 57 -9.232 1.239 -10.867 1.00 0.00 H new ATOM 0 HA SER A 57 -10.096 3.657 -9.699 1.00 0.00 H new ATOM 0 HB2 SER A 57 -8.052 3.396 -11.093 1.00 0.00 H new ATOM 0 HB3 SER A 57 -9.057 3.122 -12.502 1.00 0.00 H new ATOM 0 HG SER A 57 -8.419 5.351 -12.299 1.00 0.00 H new ATOM 894 N ASN A 58 -12.052 2.329 -11.950 1.00 0.00 N ATOM 895 CA ASN A 58 -13.405 2.420 -12.513 1.00 0.00 C ATOM 896 C ASN A 58 -14.400 2.532 -11.395 1.00 0.00 C ATOM 897 O ASN A 58 -15.269 3.410 -11.407 1.00 0.00 O ATOM 898 CB ASN A 58 -13.759 1.206 -13.385 1.00 0.00 C ATOM 899 CG ASN A 58 -13.090 1.198 -14.739 1.00 0.00 C ATOM 900 OD1 ASN A 58 -11.999 1.750 -14.928 1.00 0.00 O ATOM 901 ND2 ASN A 58 -13.731 0.576 -15.689 1.00 0.00 N ATOM 0 H ASN A 58 -11.577 1.445 -12.131 1.00 0.00 H new ATOM 0 HA ASN A 58 -13.437 3.304 -13.150 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -13.483 0.297 -12.851 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -14.839 1.177 -13.526 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -13.335 0.532 -16.628 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -14.629 0.133 -15.493 1.00 0.00 H new ATOM 908 N LEU A 59 -14.240 1.669 -10.397 1.00 0.00 N ATOM 909 CA LEU A 59 -15.090 1.678 -9.228 1.00 0.00 C ATOM 910 C LEU A 59 -14.929 2.972 -8.461 1.00 0.00 C ATOM 911 O LEU A 59 -15.899 3.537 -8.010 1.00 0.00 O ATOM 912 CB LEU A 59 -14.836 0.464 -8.309 1.00 0.00 C ATOM 913 CG LEU A 59 -15.501 -0.879 -8.695 1.00 0.00 C ATOM 914 CD1 LEU A 59 -17.013 -0.738 -8.761 1.00 0.00 C ATOM 915 CD2 LEU A 59 -14.954 -1.444 -9.998 1.00 0.00 C ATOM 0 H LEU A 59 -13.518 0.949 -10.382 1.00 0.00 H new ATOM 0 HA LEU A 59 -16.119 1.603 -9.580 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -13.759 0.303 -8.256 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -15.169 0.727 -7.305 1.00 0.00 H new ATOM 0 HG LEU A 59 -15.252 -1.592 -7.909 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -17.456 -1.696 -9.034 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -17.392 -0.427 -7.788 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -17.276 0.010 -9.509 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -15.453 -2.386 -10.224 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -15.134 -0.735 -10.806 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -13.882 -1.616 -9.899 1.00 0.00 H new ATOM 927 N ALA A 60 -13.709 3.456 -8.380 1.00 0.00 N ATOM 928 CA ALA A 60 -13.391 4.700 -7.678 1.00 0.00 C ATOM 929 C ALA A 60 -14.037 5.917 -8.336 1.00 0.00 C ATOM 930 O ALA A 60 -14.241 6.946 -7.695 1.00 0.00 O ATOM 931 CB ALA A 60 -11.891 4.890 -7.618 1.00 0.00 C ATOM 0 H ALA A 60 -12.898 3.001 -8.799 1.00 0.00 H new ATOM 0 HA ALA A 60 -13.797 4.616 -6.670 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -11.662 5.818 -7.094 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -11.439 4.052 -7.087 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -11.489 4.937 -8.630 1.00 0.00 H new ATOM 937 N LEU A 61 -14.358 5.800 -9.605 1.00 0.00 N ATOM 938 CA LEU A 61 -14.943 6.898 -10.337 1.00 0.00 C ATOM 939 C LEU A 61 -16.451 6.835 -10.277 1.00 0.00 C ATOM 940 O LEU A 61 -17.136 7.819 -10.563 1.00 0.00 O ATOM 941 CB LEU A 61 -14.466 6.893 -11.799 1.00 0.00 C ATOM 942 CG LEU A 61 -12.977 7.183 -12.040 1.00 0.00 C ATOM 943 CD1 LEU A 61 -12.633 7.027 -13.512 1.00 0.00 C ATOM 944 CD2 LEU A 61 -12.612 8.581 -11.563 1.00 0.00 C ATOM 0 H LEU A 61 -14.222 4.950 -10.153 1.00 0.00 H new ATOM 0 HA LEU A 61 -14.617 7.828 -9.871 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -14.697 5.918 -12.229 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -15.050 7.630 -12.350 1.00 0.00 H new ATOM 0 HG LEU A 61 -12.397 6.460 -11.466 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -11.574 7.237 -13.662 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -12.850 6.007 -13.830 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -13.228 7.725 -14.101 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -11.553 8.762 -11.745 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -13.204 9.317 -12.106 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -12.817 8.666 -10.496 1.00 0.00 H new ATOM 956 N VAL A 62 -16.973 5.694 -9.889 1.00 0.00 N ATOM 957 CA VAL A 62 -18.402 5.519 -9.838 1.00 0.00 C ATOM 958 C VAL A 62 -18.929 5.460 -8.391 1.00 0.00 C ATOM 959 O VAL A 62 -19.875 6.154 -8.055 1.00 0.00 O ATOM 960 CB VAL A 62 -18.896 4.306 -10.704 1.00 0.00 C ATOM 961 CG1 VAL A 62 -18.300 2.985 -10.257 1.00 0.00 C ATOM 962 CG2 VAL A 62 -20.403 4.230 -10.735 1.00 0.00 C ATOM 0 H VAL A 62 -16.430 4.878 -9.606 1.00 0.00 H new ATOM 0 HA VAL A 62 -18.835 6.410 -10.293 1.00 0.00 H new ATOM 0 HB VAL A 62 -18.539 4.489 -11.718 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -18.677 2.183 -10.891 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -17.214 3.030 -10.336 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -18.580 2.791 -9.222 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -20.712 3.380 -11.343 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -20.782 4.108 -9.720 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -20.805 5.148 -11.164 1.00 0.00 H new ATOM 972 N LYS A 63 -18.296 4.673 -7.537 1.00 0.00 N ATOM 973 CA LYS A 63 -18.712 4.529 -6.146 1.00 0.00 C ATOM 974 C LYS A 63 -17.468 4.447 -5.267 1.00 0.00 C ATOM 975 O LYS A 63 -16.983 3.343 -4.958 1.00 0.00 O ATOM 976 CB LYS A 63 -19.592 3.269 -5.939 1.00 0.00 C ATOM 977 CG LYS A 63 -20.813 3.217 -6.859 1.00 0.00 C ATOM 978 CD LYS A 63 -21.683 1.980 -6.662 1.00 0.00 C ATOM 979 CE LYS A 63 -22.256 1.899 -5.259 1.00 0.00 C ATOM 980 NZ LYS A 63 -23.338 0.903 -5.168 1.00 0.00 N ATOM 0 H LYS A 63 -17.479 4.115 -7.785 1.00 0.00 H new ATOM 0 HA LYS A 63 -19.314 5.395 -5.871 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -18.984 2.380 -6.106 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -19.927 3.236 -4.902 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -21.420 4.107 -6.691 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -20.477 3.251 -7.895 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -22.498 1.993 -7.385 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -21.092 1.087 -6.863 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -21.463 1.640 -4.557 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -22.636 2.877 -4.964 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -23.704 0.876 -4.195 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -24.105 1.164 -5.820 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -22.969 -0.035 -5.425 1.00 0.00 H new ATOM 994 N PRO A 64 -16.915 5.612 -4.862 1.00 0.00 N ATOM 995 CA PRO A 64 -15.646 5.678 -4.120 1.00 0.00 C ATOM 996 C PRO A 64 -15.718 5.033 -2.735 1.00 0.00 C ATOM 997 O PRO A 64 -14.686 4.701 -2.132 1.00 0.00 O ATOM 998 CB PRO A 64 -15.362 7.183 -4.004 1.00 0.00 C ATOM 999 CG PRO A 64 -16.691 7.840 -4.163 1.00 0.00 C ATOM 1000 CD PRO A 64 -17.487 6.961 -5.085 1.00 0.00 C ATOM 0 HA PRO A 64 -14.862 5.123 -4.636 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -14.914 7.427 -3.041 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -14.664 7.513 -4.773 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -17.190 7.946 -3.200 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -16.582 8.842 -4.578 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -18.550 6.990 -4.847 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -17.384 7.273 -6.124 1.00 0.00 H new ATOM 1008 N GLU A 65 -16.924 4.828 -2.243 1.00 0.00 N ATOM 1009 CA GLU A 65 -17.120 4.217 -0.948 1.00 0.00 C ATOM 1010 C GLU A 65 -16.764 2.756 -1.023 1.00 0.00 C ATOM 1011 O GLU A 65 -16.142 2.203 -0.117 1.00 0.00 O ATOM 1012 CB GLU A 65 -18.566 4.334 -0.460 1.00 0.00 C ATOM 1013 CG GLU A 65 -19.136 5.739 -0.409 1.00 0.00 C ATOM 1014 CD GLU A 65 -19.506 6.289 -1.768 1.00 0.00 C ATOM 1015 OE1 GLU A 65 -19.650 5.504 -2.732 1.00 0.00 O ATOM 1016 OE2 GLU A 65 -19.668 7.508 -1.890 1.00 0.00 O ATOM 0 H GLU A 65 -17.787 5.078 -2.726 1.00 0.00 H new ATOM 0 HA GLU A 65 -16.477 4.746 -0.244 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -19.199 3.729 -1.110 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -18.628 3.901 0.538 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -20.020 5.741 0.228 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -18.407 6.402 0.056 1.00 0.00 H new ATOM 1023 N LYS A 66 -17.115 2.139 -2.136 1.00 0.00 N ATOM 1024 CA LYS A 66 -16.886 0.721 -2.307 1.00 0.00 C ATOM 1025 C LYS A 66 -15.415 0.488 -2.557 1.00 0.00 C ATOM 1026 O LYS A 66 -14.860 -0.545 -2.179 1.00 0.00 O ATOM 1027 CB LYS A 66 -17.763 0.161 -3.431 1.00 0.00 C ATOM 1028 CG LYS A 66 -19.226 0.594 -3.309 1.00 0.00 C ATOM 1029 CD LYS A 66 -19.860 0.141 -1.993 1.00 0.00 C ATOM 1030 CE LYS A 66 -20.073 -1.356 -1.960 1.00 0.00 C ATOM 1031 NZ LYS A 66 -21.032 -1.786 -2.997 1.00 0.00 N ATOM 0 H LYS A 66 -17.558 2.598 -2.932 1.00 0.00 H new ATOM 0 HA LYS A 66 -17.168 0.186 -1.400 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -17.369 0.491 -4.392 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -17.708 -0.928 -3.421 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -19.288 1.680 -3.384 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -19.794 0.183 -4.143 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -19.221 0.436 -1.161 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -20.815 0.647 -1.856 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -19.120 -1.864 -2.110 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -20.441 -1.651 -0.977 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -21.093 -2.824 -3.005 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -21.969 -1.386 -2.790 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -20.710 -1.451 -3.928 1.00 0.00 H new ATOM 1045 N THR A 67 -14.784 1.480 -3.166 1.00 0.00 N ATOM 1046 CA THR A 67 -13.364 1.484 -3.373 1.00 0.00 C ATOM 1047 C THR A 67 -12.678 1.526 -2.012 1.00 0.00 C ATOM 1048 O THR A 67 -11.765 0.775 -1.749 1.00 0.00 O ATOM 1049 CB THR A 67 -12.971 2.748 -4.120 1.00 0.00 C ATOM 1050 OG1 THR A 67 -13.903 2.955 -5.181 1.00 0.00 O ATOM 1051 CG2 THR A 67 -11.566 2.627 -4.693 1.00 0.00 C ATOM 0 H THR A 67 -15.257 2.307 -3.530 1.00 0.00 H new ATOM 0 HA THR A 67 -13.073 0.598 -3.937 1.00 0.00 H new ATOM 0 HB THR A 67 -12.984 3.591 -3.429 1.00 0.00 H new ATOM 0 HG1 THR A 67 -13.583 2.504 -5.990 1.00 0.00 H new ATOM 0 HG21 THR A 67 -11.309 3.544 -5.223 1.00 0.00 H new ATOM 0 HG22 THR A 67 -10.855 2.464 -3.883 1.00 0.00 H new ATOM 0 HG23 THR A 67 -11.526 1.785 -5.385 1.00 0.00 H new ATOM 1059 N LYS A 68 -13.186 2.391 -1.146 1.00 0.00 N ATOM 1060 CA LYS A 68 -12.623 2.603 0.172 1.00 0.00 C ATOM 1061 C LYS A 68 -12.721 1.324 0.995 1.00 0.00 C ATOM 1062 O LYS A 68 -11.782 0.957 1.713 1.00 0.00 O ATOM 1063 CB LYS A 68 -13.367 3.749 0.869 1.00 0.00 C ATOM 1064 CG LYS A 68 -12.530 4.523 1.884 1.00 0.00 C ATOM 1065 CD LYS A 68 -11.285 5.127 1.225 1.00 0.00 C ATOM 1066 CE LYS A 68 -11.628 6.005 0.016 1.00 0.00 C ATOM 1067 NZ LYS A 68 -10.421 6.349 -0.753 1.00 0.00 N ATOM 0 H LYS A 68 -14.005 2.967 -1.343 1.00 0.00 H new ATOM 0 HA LYS A 68 -11.571 2.870 0.077 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -13.730 4.444 0.111 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -14.243 3.342 1.374 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -13.132 5.316 2.327 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -12.230 3.859 2.695 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -10.742 5.722 1.959 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -10.619 4.324 0.909 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -12.335 5.482 -0.628 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -12.119 6.917 0.354 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -10.693 6.638 -1.714 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -9.922 7.132 -0.284 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -9.794 5.521 -0.804 1.00 0.00 H new ATOM 1081 N ALA A 69 -13.845 0.640 0.846 1.00 0.00 N ATOM 1082 CA ALA A 69 -14.095 -0.613 1.528 1.00 0.00 C ATOM 1083 C ALA A 69 -13.104 -1.678 1.082 1.00 0.00 C ATOM 1084 O ALA A 69 -12.490 -2.355 1.920 1.00 0.00 O ATOM 1085 CB ALA A 69 -15.522 -1.071 1.294 1.00 0.00 C ATOM 0 H ALA A 69 -14.611 0.943 0.245 1.00 0.00 H new ATOM 0 HA ALA A 69 -13.959 -0.454 2.598 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -15.691 -2.014 1.814 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -16.213 -0.318 1.674 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -15.689 -1.211 0.226 1.00 0.00 H new ATOM 1091 N VAL A 70 -12.915 -1.815 -0.232 1.00 0.00 N ATOM 1092 CA VAL A 70 -11.965 -2.792 -0.716 1.00 0.00 C ATOM 1093 C VAL A 70 -10.532 -2.381 -0.376 1.00 0.00 C ATOM 1094 O VAL A 70 -9.729 -3.228 -0.034 1.00 0.00 O ATOM 1095 CB VAL A 70 -12.118 -3.176 -2.228 1.00 0.00 C ATOM 1096 CG1 VAL A 70 -13.490 -3.761 -2.503 1.00 0.00 C ATOM 1097 CG2 VAL A 70 -11.856 -2.005 -3.149 1.00 0.00 C ATOM 0 H VAL A 70 -13.395 -1.276 -0.953 1.00 0.00 H new ATOM 0 HA VAL A 70 -12.205 -3.711 -0.181 1.00 0.00 H new ATOM 0 HB VAL A 70 -11.361 -3.932 -2.436 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -13.571 -4.019 -3.559 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -13.631 -4.657 -1.899 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -14.256 -3.028 -2.249 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -11.975 -2.323 -4.185 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -12.564 -1.205 -2.931 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -10.840 -1.641 -2.995 1.00 0.00 H new ATOM 1107 N GLU A 71 -10.231 -1.069 -0.422 1.00 0.00 N ATOM 1108 CA GLU A 71 -8.910 -0.567 -0.030 1.00 0.00 C ATOM 1109 C GLU A 71 -8.567 -1.041 1.364 1.00 0.00 C ATOM 1110 O GLU A 71 -7.513 -1.632 1.580 1.00 0.00 O ATOM 1111 CB GLU A 71 -8.822 0.971 -0.061 1.00 0.00 C ATOM 1112 CG GLU A 71 -8.810 1.615 -1.428 1.00 0.00 C ATOM 1113 CD GLU A 71 -8.557 3.099 -1.328 1.00 0.00 C ATOM 1114 OE1 GLU A 71 -7.366 3.503 -1.236 1.00 0.00 O ATOM 1115 OE2 GLU A 71 -9.511 3.895 -1.303 1.00 0.00 O ATOM 0 H GLU A 71 -10.883 -0.346 -0.725 1.00 0.00 H new ATOM 0 HA GLU A 71 -8.202 -0.960 -0.759 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -9.666 1.373 0.499 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -7.917 1.272 0.467 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -8.039 1.152 -2.044 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -9.764 1.438 -1.925 1.00 0.00 H new ATOM 1122 N ASN A 72 -9.494 -0.816 2.289 1.00 0.00 N ATOM 1123 CA ASN A 72 -9.346 -1.214 3.669 1.00 0.00 C ATOM 1124 C ASN A 72 -9.093 -2.711 3.755 1.00 0.00 C ATOM 1125 O ASN A 72 -8.157 -3.160 4.428 1.00 0.00 O ATOM 1126 CB ASN A 72 -10.622 -0.868 4.437 1.00 0.00 C ATOM 1127 CG ASN A 72 -10.483 -1.104 5.918 1.00 0.00 C ATOM 1128 OD1 ASN A 72 -10.753 -2.195 6.430 1.00 0.00 O ATOM 1129 ND2 ASN A 72 -10.090 -0.086 6.618 1.00 0.00 N ATOM 0 H ASN A 72 -10.377 -0.346 2.091 1.00 0.00 H new ATOM 0 HA ASN A 72 -8.499 -0.684 4.105 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -10.877 0.177 4.261 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -11.448 -1.467 4.052 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -9.994 -0.169 7.630 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -9.877 0.798 6.157 1.00 0.00 H new ATOM 1136 N TYR A 73 -9.895 -3.469 3.018 1.00 0.00 N ATOM 1137 CA TYR A 73 -9.808 -4.911 3.019 1.00 0.00 C ATOM 1138 C TYR A 73 -8.445 -5.390 2.502 1.00 0.00 C ATOM 1139 O TYR A 73 -7.805 -6.210 3.152 1.00 0.00 O ATOM 1140 CB TYR A 73 -10.959 -5.538 2.215 1.00 0.00 C ATOM 1141 CG TYR A 73 -11.036 -7.047 2.334 1.00 0.00 C ATOM 1142 CD1 TYR A 73 -11.510 -7.638 3.499 1.00 0.00 C ATOM 1143 CD2 TYR A 73 -10.627 -7.880 1.300 1.00 0.00 C ATOM 1144 CE1 TYR A 73 -11.579 -9.009 3.629 1.00 0.00 C ATOM 1145 CE2 TYR A 73 -10.691 -9.254 1.424 1.00 0.00 C ATOM 1146 CZ TYR A 73 -11.170 -9.811 2.589 1.00 0.00 C ATOM 1147 OH TYR A 73 -11.232 -11.178 2.720 1.00 0.00 O ATOM 0 H TYR A 73 -10.621 -3.096 2.406 1.00 0.00 H new ATOM 0 HA TYR A 73 -9.903 -5.245 4.052 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -11.902 -5.108 2.552 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -10.844 -5.271 1.165 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -11.830 -7.011 4.318 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -10.253 -7.446 0.384 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -11.952 -9.450 4.542 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -10.367 -9.888 0.612 1.00 0.00 H new ATOM 0 HH TYR A 73 -10.908 -11.600 1.897 1.00 0.00 H new ATOM 1157 N LEU A 74 -7.996 -4.862 1.356 1.00 0.00 N ATOM 1158 CA LEU A 74 -6.697 -5.260 0.803 1.00 0.00 C ATOM 1159 C LEU A 74 -5.534 -4.890 1.704 1.00 0.00 C ATOM 1160 O LEU A 74 -4.573 -5.645 1.796 1.00 0.00 O ATOM 1161 CB LEU A 74 -6.420 -4.822 -0.658 1.00 0.00 C ATOM 1162 CG LEU A 74 -7.152 -5.585 -1.792 1.00 0.00 C ATOM 1163 CD1 LEU A 74 -7.105 -7.072 -1.561 1.00 0.00 C ATOM 1164 CD2 LEU A 74 -8.571 -5.118 -2.015 1.00 0.00 C ATOM 0 H LEU A 74 -8.503 -4.171 0.803 1.00 0.00 H new ATOM 0 HA LEU A 74 -6.778 -6.346 0.764 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -6.676 -3.766 -0.745 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -5.348 -4.906 -0.835 1.00 0.00 H new ATOM 0 HG LEU A 74 -6.610 -5.353 -2.709 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -7.626 -7.583 -2.371 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -6.067 -7.403 -1.531 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -7.588 -7.308 -0.613 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -9.021 -5.695 -2.822 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -9.149 -5.260 -1.101 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -8.569 -4.061 -2.282 1.00 0.00 H new ATOM 1176 N ILE A 75 -5.613 -3.739 2.354 1.00 0.00 N ATOM 1177 CA ILE A 75 -4.574 -3.320 3.292 1.00 0.00 C ATOM 1178 C ILE A 75 -4.428 -4.360 4.424 1.00 0.00 C ATOM 1179 O ILE A 75 -3.313 -4.776 4.764 1.00 0.00 O ATOM 1180 CB ILE A 75 -4.867 -1.899 3.875 1.00 0.00 C ATOM 1181 CG1 ILE A 75 -4.814 -0.850 2.748 1.00 0.00 C ATOM 1182 CG2 ILE A 75 -3.882 -1.540 4.983 1.00 0.00 C ATOM 1183 CD1 ILE A 75 -5.161 0.564 3.181 1.00 0.00 C ATOM 0 H ILE A 75 -6.383 -3.077 2.252 1.00 0.00 H new ATOM 0 HA ILE A 75 -3.631 -3.260 2.748 1.00 0.00 H new ATOM 0 HB ILE A 75 -5.866 -1.908 4.310 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -3.812 -0.848 2.318 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -5.500 -1.152 1.956 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -4.113 -0.546 5.367 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -3.961 -2.268 5.790 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -2.867 -1.548 4.585 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -5.097 1.233 2.323 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -6.174 0.583 3.582 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -4.461 0.891 3.949 1.00 0.00 H new ATOM 1195 N GLN A 76 -5.557 -4.813 4.955 1.00 0.00 N ATOM 1196 CA GLN A 76 -5.557 -5.829 6.007 1.00 0.00 C ATOM 1197 C GLN A 76 -5.076 -7.174 5.427 1.00 0.00 C ATOM 1198 O GLN A 76 -4.225 -7.857 6.004 1.00 0.00 O ATOM 1199 CB GLN A 76 -6.975 -6.006 6.590 1.00 0.00 C ATOM 1200 CG GLN A 76 -7.632 -4.728 7.113 1.00 0.00 C ATOM 1201 CD GLN A 76 -6.853 -4.062 8.225 1.00 0.00 C ATOM 1202 OE1 GLN A 76 -5.994 -3.213 7.984 1.00 0.00 O ATOM 1203 NE2 GLN A 76 -7.146 -4.420 9.445 1.00 0.00 N ATOM 0 H GLN A 76 -6.485 -4.495 4.676 1.00 0.00 H new ATOM 0 HA GLN A 76 -4.885 -5.505 6.802 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -7.616 -6.435 5.819 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -6.927 -6.729 7.404 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -7.747 -4.024 6.289 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -8.633 -4.964 7.473 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -7.863 -5.126 9.611 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -6.658 -3.993 10.233 1.00 0.00 H new ATOM 1212 N MET A 77 -5.589 -7.485 4.248 1.00 0.00 N ATOM 1213 CA MET A 77 -5.345 -8.737 3.513 1.00 0.00 C ATOM 1214 C MET A 77 -3.848 -8.919 3.247 1.00 0.00 C ATOM 1215 O MET A 77 -3.280 -10.004 3.469 1.00 0.00 O ATOM 1216 CB MET A 77 -6.070 -8.619 2.170 1.00 0.00 C ATOM 1217 CG MET A 77 -6.151 -9.867 1.310 1.00 0.00 C ATOM 1218 SD MET A 77 -7.232 -11.131 2.002 1.00 0.00 S ATOM 1219 CE MET A 77 -7.299 -12.278 0.620 1.00 0.00 C ATOM 0 H MET A 77 -6.214 -6.853 3.748 1.00 0.00 H new ATOM 0 HA MET A 77 -5.701 -9.588 4.094 1.00 0.00 H new ATOM 0 HB2 MET A 77 -7.087 -8.277 2.364 1.00 0.00 H new ATOM 0 HB3 MET A 77 -5.577 -7.840 1.588 1.00 0.00 H new ATOM 0 HG2 MET A 77 -6.509 -9.595 0.317 1.00 0.00 H new ATOM 0 HG3 MET A 77 -5.150 -10.281 1.185 1.00 0.00 H new ATOM 0 HE1 MET A 77 -7.932 -13.126 0.881 1.00 0.00 H new ATOM 0 HE2 MET A 77 -7.712 -11.772 -0.253 1.00 0.00 H new ATOM 0 HE3 MET A 77 -6.294 -12.632 0.392 1.00 0.00 H new ATOM 1229 N ALA A 78 -3.216 -7.852 2.790 1.00 0.00 N ATOM 1230 CA ALA A 78 -1.802 -7.855 2.476 1.00 0.00 C ATOM 1231 C ALA A 78 -0.966 -8.042 3.725 1.00 0.00 C ATOM 1232 O ALA A 78 0.027 -8.769 3.716 1.00 0.00 O ATOM 1233 CB ALA A 78 -1.410 -6.569 1.765 1.00 0.00 C ATOM 0 H ALA A 78 -3.674 -6.955 2.626 1.00 0.00 H new ATOM 0 HA ALA A 78 -1.609 -8.696 1.810 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -0.344 -6.590 1.537 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -1.977 -6.478 0.839 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -1.627 -5.717 2.409 1.00 0.00 H new ATOM 1353 N LYS A 86 -0.693 -12.050 -7.627 1.00 0.00 N ATOM 1354 CA LYS A 86 -1.448 -10.908 -8.044 1.00 0.00 C ATOM 1355 C LYS A 86 -2.823 -11.336 -8.519 1.00 0.00 C ATOM 1356 O LYS A 86 -2.960 -12.168 -9.418 1.00 0.00 O ATOM 1357 CB LYS A 86 -0.703 -10.173 -9.138 1.00 0.00 C ATOM 1358 CG LYS A 86 0.631 -9.595 -8.683 1.00 0.00 C ATOM 1359 CD LYS A 86 1.464 -9.100 -9.844 1.00 0.00 C ATOM 1360 CE LYS A 86 0.753 -8.043 -10.636 1.00 0.00 C ATOM 1361 NZ LYS A 86 1.504 -7.660 -11.834 1.00 0.00 N ATOM 0 HA LYS A 86 -1.576 -10.232 -7.198 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -0.529 -10.856 -9.970 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -1.331 -9.365 -9.514 1.00 0.00 H new ATOM 0 HG2 LYS A 86 0.452 -8.773 -7.990 1.00 0.00 H new ATOM 0 HG3 LYS A 86 1.188 -10.356 -8.137 1.00 0.00 H new ATOM 0 HD2 LYS A 86 2.406 -8.700 -9.469 1.00 0.00 H new ATOM 0 HD3 LYS A 86 1.710 -9.938 -10.497 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -0.232 -8.408 -10.926 1.00 0.00 H new ATOM 0 HE3 LYS A 86 0.596 -7.165 -10.010 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 0.855 -7.591 -12.643 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 1.961 -6.739 -11.677 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 2.230 -8.378 -12.033 1.00 0.00 H new ATOM 1375 N VAL A 87 -3.811 -10.798 -7.886 1.00 0.00 N ATOM 1376 CA VAL A 87 -5.185 -11.066 -8.165 1.00 0.00 C ATOM 1377 C VAL A 87 -5.629 -10.166 -9.312 1.00 0.00 C ATOM 1378 O VAL A 87 -5.257 -8.986 -9.366 1.00 0.00 O ATOM 1379 CB VAL A 87 -6.057 -10.787 -6.900 1.00 0.00 C ATOM 1380 CG1 VAL A 87 -7.512 -11.116 -7.141 1.00 0.00 C ATOM 1381 CG2 VAL A 87 -5.537 -11.568 -5.701 1.00 0.00 C ATOM 0 H VAL A 87 -3.679 -10.130 -7.127 1.00 0.00 H new ATOM 0 HA VAL A 87 -5.308 -12.113 -8.442 1.00 0.00 H new ATOM 0 HB VAL A 87 -5.983 -9.721 -6.687 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -8.086 -10.909 -6.238 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -7.892 -10.506 -7.961 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -7.609 -12.171 -7.398 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -6.160 -11.358 -4.832 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -5.569 -12.635 -5.920 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -4.509 -11.271 -5.491 1.00 0.00 H new ATOM 1391 N SER A 88 -6.375 -10.723 -10.226 1.00 0.00 N ATOM 1392 CA SER A 88 -6.857 -9.993 -11.359 1.00 0.00 C ATOM 1393 C SER A 88 -8.187 -9.303 -11.017 1.00 0.00 C ATOM 1394 O SER A 88 -8.601 -9.277 -9.837 1.00 0.00 O ATOM 1395 CB SER A 88 -7.000 -10.942 -12.546 1.00 0.00 C ATOM 1396 OG SER A 88 -5.751 -11.570 -12.839 1.00 0.00 O ATOM 0 H SER A 88 -6.665 -11.701 -10.203 1.00 0.00 H new ATOM 0 HA SER A 88 -6.146 -9.213 -11.629 1.00 0.00 H new ATOM 0 HB2 SER A 88 -7.751 -11.700 -12.324 1.00 0.00 H new ATOM 0 HB3 SER A 88 -7.350 -10.391 -13.419 1.00 0.00 H new ATOM 0 HG SER A 88 -5.861 -12.176 -13.601 1.00 0.00 H new ATOM 1402 N GLU A 89 -8.844 -8.751 -12.031 1.00 0.00 N ATOM 1403 CA GLU A 89 -10.064 -7.988 -11.868 1.00 0.00 C ATOM 1404 C GLU A 89 -11.136 -8.806 -11.172 1.00 0.00 C ATOM 1405 O GLU A 89 -11.711 -8.353 -10.202 1.00 0.00 O ATOM 1406 CB GLU A 89 -10.574 -7.540 -13.229 1.00 0.00 C ATOM 1407 CG GLU A 89 -9.558 -6.774 -14.053 1.00 0.00 C ATOM 1408 CD GLU A 89 -10.062 -6.458 -15.432 1.00 0.00 C ATOM 1409 OE1 GLU A 89 -10.125 -7.381 -16.272 1.00 0.00 O ATOM 1410 OE2 GLU A 89 -10.427 -5.308 -15.710 1.00 0.00 O ATOM 0 H GLU A 89 -8.535 -8.825 -13.000 1.00 0.00 H new ATOM 0 HA GLU A 89 -9.839 -7.119 -11.250 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -10.894 -8.417 -13.791 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -11.455 -6.914 -13.086 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -9.303 -5.846 -13.541 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -8.641 -7.358 -14.129 1.00 0.00 H new ATOM 1417 N GLN A 90 -11.340 -10.035 -11.642 1.00 0.00 N ATOM 1418 CA GLN A 90 -12.393 -10.919 -11.147 1.00 0.00 C ATOM 1419 C GLN A 90 -12.282 -11.167 -9.646 1.00 0.00 C ATOM 1420 O GLN A 90 -13.304 -11.159 -8.942 1.00 0.00 O ATOM 1421 CB GLN A 90 -12.393 -12.243 -11.908 1.00 0.00 C ATOM 1422 CG GLN A 90 -13.552 -13.162 -11.551 1.00 0.00 C ATOM 1423 CD GLN A 90 -14.896 -12.558 -11.885 1.00 0.00 C ATOM 1424 OE1 GLN A 90 -15.402 -12.724 -12.990 1.00 0.00 O ATOM 1425 NE2 GLN A 90 -15.480 -11.854 -10.952 1.00 0.00 N ATOM 0 H GLN A 90 -10.774 -10.449 -12.383 1.00 0.00 H new ATOM 0 HA GLN A 90 -13.341 -10.411 -11.323 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -12.423 -12.035 -12.978 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -11.456 -12.764 -11.711 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -13.440 -14.106 -12.084 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -13.515 -13.391 -10.486 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -15.030 -11.737 -10.044 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -16.386 -11.422 -11.131 1.00 0.00 H new ATOM 1434 N GLY A 91 -11.065 -11.359 -9.160 1.00 0.00 N ATOM 1435 CA GLY A 91 -10.860 -11.564 -7.746 1.00 0.00 C ATOM 1436 C GLY A 91 -11.258 -10.345 -6.955 1.00 0.00 C ATOM 1437 O GLY A 91 -11.865 -10.459 -5.884 1.00 0.00 O ATOM 0 H GLY A 91 -10.215 -11.376 -9.723 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -11.442 -12.423 -7.412 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -9.812 -11.797 -7.558 1.00 0.00 H new ATOM 1441 N LEU A 92 -10.960 -9.178 -7.504 1.00 0.00 N ATOM 1442 CA LEU A 92 -11.335 -7.919 -6.883 1.00 0.00 C ATOM 1443 C LEU A 92 -12.849 -7.746 -6.918 1.00 0.00 C ATOM 1444 O LEU A 92 -13.433 -7.228 -5.981 1.00 0.00 O ATOM 1445 CB LEU A 92 -10.651 -6.731 -7.580 1.00 0.00 C ATOM 1446 CG LEU A 92 -11.017 -5.332 -7.049 1.00 0.00 C ATOM 1447 CD1 LEU A 92 -10.592 -5.158 -5.597 1.00 0.00 C ATOM 1448 CD2 LEU A 92 -10.407 -4.251 -7.920 1.00 0.00 C ATOM 0 H LEU A 92 -10.456 -9.077 -8.385 1.00 0.00 H new ATOM 0 HA LEU A 92 -11.002 -7.941 -5.846 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -9.572 -6.859 -7.496 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -10.894 -6.770 -8.642 1.00 0.00 H new ATOM 0 HG LEU A 92 -12.102 -5.236 -7.090 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -10.866 -4.160 -5.255 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -11.093 -5.903 -4.979 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -9.513 -5.286 -5.516 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -10.678 -3.271 -7.527 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -9.322 -4.354 -7.921 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -10.782 -4.350 -8.939 1.00 0.00 H new ATOM 1460 N ILE A 93 -13.479 -8.212 -7.995 1.00 0.00 N ATOM 1461 CA ILE A 93 -14.940 -8.129 -8.140 1.00 0.00 C ATOM 1462 C ILE A 93 -15.585 -8.946 -7.031 1.00 0.00 C ATOM 1463 O ILE A 93 -16.573 -8.542 -6.429 1.00 0.00 O ATOM 1464 CB ILE A 93 -15.452 -8.709 -9.484 1.00 0.00 C ATOM 1465 CG1 ILE A 93 -14.640 -8.210 -10.679 1.00 0.00 C ATOM 1466 CG2 ILE A 93 -16.928 -8.379 -9.680 1.00 0.00 C ATOM 1467 CD1 ILE A 93 -14.614 -6.719 -10.891 1.00 0.00 C ATOM 0 H ILE A 93 -13.004 -8.652 -8.783 1.00 0.00 H new ATOM 0 HA ILE A 93 -15.201 -7.072 -8.097 1.00 0.00 H new ATOM 0 HB ILE A 93 -15.326 -9.791 -9.433 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -13.613 -8.557 -10.564 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -15.036 -8.677 -11.581 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -17.271 -8.794 -10.628 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -17.509 -8.810 -8.864 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -17.061 -7.297 -9.688 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -14.008 -6.487 -11.767 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -15.630 -6.356 -11.046 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -14.185 -6.234 -10.014 1.00 0.00 H new ATOM 1479 N GLU A 94 -15.012 -10.094 -6.775 1.00 0.00 N ATOM 1480 CA GLU A 94 -15.480 -10.957 -5.706 1.00 0.00 C ATOM 1481 C GLU A 94 -15.290 -10.305 -4.329 1.00 0.00 C ATOM 1482 O GLU A 94 -16.141 -10.431 -3.455 1.00 0.00 O ATOM 1483 CB GLU A 94 -14.848 -12.343 -5.785 1.00 0.00 C ATOM 1484 CG GLU A 94 -15.201 -13.080 -7.068 1.00 0.00 C ATOM 1485 CD GLU A 94 -14.743 -14.507 -7.071 1.00 0.00 C ATOM 1486 OE1 GLU A 94 -15.480 -15.369 -6.568 1.00 0.00 O ATOM 1487 OE2 GLU A 94 -13.660 -14.811 -7.603 1.00 0.00 O ATOM 0 H GLU A 94 -14.214 -10.460 -7.294 1.00 0.00 H new ATOM 0 HA GLU A 94 -16.553 -11.095 -5.841 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -13.765 -12.248 -5.712 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -15.174 -12.935 -4.930 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -16.281 -13.051 -7.211 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -14.753 -12.559 -7.914 1.00 0.00 H new ATOM 1494 N ILE A 95 -14.198 -9.566 -4.158 1.00 0.00 N ATOM 1495 CA ILE A 95 -13.977 -8.808 -2.920 1.00 0.00 C ATOM 1496 C ILE A 95 -14.997 -7.661 -2.847 1.00 0.00 C ATOM 1497 O ILE A 95 -15.518 -7.326 -1.776 1.00 0.00 O ATOM 1498 CB ILE A 95 -12.524 -8.240 -2.834 1.00 0.00 C ATOM 1499 CG1 ILE A 95 -11.506 -9.390 -2.841 1.00 0.00 C ATOM 1500 CG2 ILE A 95 -12.350 -7.376 -1.590 1.00 0.00 C ATOM 1501 CD1 ILE A 95 -10.058 -8.945 -2.838 1.00 0.00 C ATOM 0 H ILE A 95 -13.455 -9.473 -4.851 1.00 0.00 H new ATOM 0 HA ILE A 95 -14.109 -9.485 -2.076 1.00 0.00 H new ATOM 0 HB ILE A 95 -12.348 -7.611 -3.706 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -11.682 -10.020 -1.969 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -11.681 -10.009 -3.721 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -11.330 -6.993 -1.553 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -13.050 -6.542 -1.626 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -12.545 -7.975 -0.701 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -9.408 -9.820 -2.843 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -9.861 -8.341 -3.724 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -9.861 -8.353 -1.944 1.00 0.00 H new ATOM 1513 N LEU A 96 -15.294 -7.098 -4.001 1.00 0.00 N ATOM 1514 CA LEU A 96 -16.280 -6.055 -4.135 1.00 0.00 C ATOM 1515 C LEU A 96 -17.655 -6.585 -3.717 1.00 0.00 C ATOM 1516 O LEU A 96 -18.426 -5.877 -3.071 1.00 0.00 O ATOM 1517 CB LEU A 96 -16.317 -5.544 -5.578 1.00 0.00 C ATOM 1518 CG LEU A 96 -17.242 -4.366 -5.861 1.00 0.00 C ATOM 1519 CD1 LEU A 96 -16.761 -3.116 -5.137 1.00 0.00 C ATOM 1520 CD2 LEU A 96 -17.345 -4.123 -7.355 1.00 0.00 C ATOM 0 H LEU A 96 -14.849 -7.358 -4.881 1.00 0.00 H new ATOM 0 HA LEU A 96 -16.011 -5.223 -3.484 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -15.305 -5.259 -5.865 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -16.610 -6.371 -6.225 1.00 0.00 H new ATOM 0 HG LEU A 96 -18.236 -4.608 -5.485 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -17.436 -2.288 -5.353 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -16.746 -3.301 -4.063 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -15.756 -2.863 -5.476 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -18.009 -3.279 -7.541 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -16.356 -3.903 -7.757 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -17.744 -5.013 -7.842 1.00 0.00 H new ATOM 1532 N LYS A 97 -17.947 -7.837 -4.074 1.00 0.00 N ATOM 1533 CA LYS A 97 -19.188 -8.498 -3.659 1.00 0.00 C ATOM 1534 C LYS A 97 -19.267 -8.531 -2.150 1.00 0.00 C ATOM 1535 O LYS A 97 -20.293 -8.170 -1.565 1.00 0.00 O ATOM 1536 CB LYS A 97 -19.252 -9.938 -4.143 1.00 0.00 C ATOM 1537 CG LYS A 97 -19.361 -10.151 -5.638 1.00 0.00 C ATOM 1538 CD LYS A 97 -19.344 -11.647 -5.962 1.00 0.00 C ATOM 1539 CE LYS A 97 -20.491 -12.392 -5.268 1.00 0.00 C ATOM 1540 NZ LYS A 97 -20.437 -13.843 -5.494 1.00 0.00 N ATOM 0 H LYS A 97 -17.339 -8.417 -4.652 1.00 0.00 H new ATOM 0 HA LYS A 97 -20.011 -7.931 -4.094 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -18.360 -10.455 -3.790 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -20.107 -10.418 -3.668 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -20.281 -9.701 -6.010 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -18.535 -9.652 -6.145 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -19.420 -11.786 -7.040 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -18.391 -12.076 -5.651 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -20.454 -12.193 -4.197 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -21.443 -12.006 -5.632 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -21.233 -14.300 -5.005 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -20.499 -14.038 -6.514 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -19.541 -14.219 -5.124 1.00 0.00 H new ATOM 1554 N LYS A 98 -18.173 -8.947 -1.537 1.00 0.00 N ATOM 1555 CA LYS A 98 -18.061 -9.059 -0.093 1.00 0.00 C ATOM 1556 C LYS A 98 -18.433 -7.769 0.606 1.00 0.00 C ATOM 1557 O LYS A 98 -19.278 -7.757 1.498 1.00 0.00 O ATOM 1558 CB LYS A 98 -16.645 -9.402 0.323 1.00 0.00 C ATOM 1559 CG LYS A 98 -16.142 -10.757 -0.064 1.00 0.00 C ATOM 1560 CD LYS A 98 -14.808 -10.998 0.606 1.00 0.00 C ATOM 1561 CE LYS A 98 -14.302 -12.378 0.328 1.00 0.00 C ATOM 1562 NZ LYS A 98 -13.087 -12.687 1.117 1.00 0.00 N ATOM 0 H LYS A 98 -17.326 -9.220 -2.035 1.00 0.00 H new ATOM 0 HA LYS A 98 -18.751 -9.852 0.198 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -15.975 -8.655 -0.103 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -16.577 -9.310 1.407 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -16.857 -11.523 0.235 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -16.037 -10.824 -1.147 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -14.083 -10.265 0.253 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -14.908 -10.855 1.682 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -15.081 -13.104 0.560 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -14.080 -12.477 -0.735 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -12.339 -13.032 0.482 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -12.760 -11.827 1.602 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -13.308 -13.419 1.822 1.00 0.00 H new ATOM 1576 N VAL A 99 -17.821 -6.687 0.183 1.00 0.00 N ATOM 1577 CA VAL A 99 -18.014 -5.398 0.827 1.00 0.00 C ATOM 1578 C VAL A 99 -19.379 -4.779 0.492 1.00 0.00 C ATOM 1579 O VAL A 99 -19.876 -3.914 1.213 1.00 0.00 O ATOM 1580 CB VAL A 99 -16.852 -4.423 0.526 1.00 0.00 C ATOM 1581 CG1 VAL A 99 -15.526 -5.077 0.908 1.00 0.00 C ATOM 1582 CG2 VAL A 99 -16.839 -3.989 -0.933 1.00 0.00 C ATOM 0 H VAL A 99 -17.180 -6.669 -0.610 1.00 0.00 H new ATOM 0 HA VAL A 99 -18.008 -5.582 1.901 1.00 0.00 H new ATOM 0 HB VAL A 99 -16.998 -3.523 1.123 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -14.707 -4.390 0.696 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -15.532 -5.317 1.971 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -15.391 -5.991 0.330 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -16.007 -3.305 -1.102 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -16.724 -4.865 -1.572 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -17.776 -3.486 -1.171 1.00 0.00 H new ATOM 1592 N SER A 100 -19.963 -5.207 -0.613 1.00 0.00 N ATOM 1593 CA SER A 100 -21.304 -4.820 -0.954 1.00 0.00 C ATOM 1594 C SER A 100 -22.307 -5.573 -0.065 1.00 0.00 C ATOM 1595 O SER A 100 -23.383 -5.069 0.254 1.00 0.00 O ATOM 1596 CB SER A 100 -21.565 -5.111 -2.422 1.00 0.00 C ATOM 1597 OG SER A 100 -20.612 -4.441 -3.235 1.00 0.00 O ATOM 0 H SER A 100 -19.518 -5.828 -1.289 1.00 0.00 H new ATOM 0 HA SER A 100 -21.427 -3.750 -0.784 1.00 0.00 H new ATOM 0 HB2 SER A 100 -21.515 -6.185 -2.601 1.00 0.00 H new ATOM 0 HB3 SER A 100 -22.572 -4.790 -2.690 1.00 0.00 H new ATOM 0 HG SER A 100 -19.763 -4.931 -3.215 1.00 0.00 H new