USER MOD reduce.3.24.130724 H: found=0, std=0, add=969, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 964 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 NoAdj-H: A 77 HIS HD1 : A 77 HIS ND1 : A 501 ZNZN :(H bumps) USER MOD Set 1.1: A 81 HIS : no HD1:sc= 1 K(o=-1.1,f=-10!) USER MOD Set 1.2: A 100 HIS : no HD1:sc= -2.05 K(o=-1.1,f=-15!) USER MOD Set 2.1: A 89 ASN : amide:sc= -0.537 K(o=-0.66,f=-5.5!) USER MOD Set 2.2: A 92 GLN : amide:sc= -0.126 K(o=-0.66,f=-4!) USER MOD Single : A 1 MET CE :methyl -108:sc= -0.485 (180deg=-1.33) USER MOD Single : A 1 MET N :NH3+ -154:sc= 0.548 (180deg=-0.26) USER MOD Single : A 9 LYS NZ :NH3+ 162:sc= 0.966 (180deg=0.406) USER MOD Single : A 12 GLN : amide:sc= -0.101 K(o=-0.1,f=-0.88) USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=-0.45) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.086) USER MOD Single : A 23 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0352) USER MOD Single : A 24 LYS NZ :NH3+ -176:sc= 2.36 (180deg=2.22) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 ASN : amide:sc= 0.93 K(o=0.93,f=-0.15) USER MOD Single : A 38 GLN : amide:sc= -0.426 K(o=-0.43,f=-5.2!) USER MOD Single : A 42 LYS NZ :NH3+ 132:sc= -0.153 (180deg=-0.682) USER MOD Single : A 45 LYS NZ :NH3+ -169:sc= -0.222 (180deg=-0.399) USER MOD Single : A 46 GLN : amide:sc= -0.127 X(o=-0.13,f=-0.072) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 TYR OH : rot 30:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0113) USER MOD Single : A 60 ASN : amide:sc= -1.03 K(o=-1,f=-2.3!) USER MOD Single : A 63 LYS NZ :NH3+ -127:sc= 1.22 (180deg=-0.0866) USER MOD Single : A 65 GLN : amide:sc= 0 K(o=0,f=-0.54) USER MOD Single : A 69 LYS NZ :NH3+ -175:sc= -0.191 (180deg=-0.251) USER MOD Single : A 76 LYS NZ :NH3+ 168:sc= 0.489 (180deg=0.393) USER MOD Single : A 82 LYS NZ :NH3+ 165:sc= -0.002 (180deg=-0.179) USER MOD Single : A 85 SER OG : rot 96:sc= 0.0708 USER MOD Single : A 86 LYS NZ :NH3+ 164:sc= -0.0574 (180deg=-0.313) USER MOD Single : A 87 GLN : amide:sc= -0.112 K(o=-0.11,f=-2) USER MOD Single : A 95 SER OG : rot 93:sc= 1.23 USER MOD Single : A 98 GLN : amide:sc= -0.0842 K(o=-0.084,f=-1.3) USER MOD Single : A 99 GLN : amide:sc= -3.2! K(o=-3.2!,f=-0.41) USER MOD Single : A 102 GLN : amide:sc= -1.3 K(o=-1.3,f=-6.3!) USER MOD Single : A 105 GLN : amide:sc= 0 X(o=0,f=-0.23) USER MOD Single : A 107 HIS : no HE2:sc= -1.87 K(o=-1.9,f=-10!) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 ASN : amide:sc= 0 X(o=0,f=-0.073) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -19.760 -5.211 1.190 1.00 0.00 N ATOM 2 CA MET A 1 -20.031 -5.761 -0.160 1.00 0.00 C ATOM 3 C MET A 1 -19.672 -7.246 -0.225 1.00 0.00 C ATOM 4 O MET A 1 -20.121 -7.957 -1.126 1.00 0.00 O ATOM 5 CB MET A 1 -19.239 -4.977 -1.213 1.00 0.00 C ATOM 6 CG MET A 1 -19.561 -5.367 -2.648 1.00 0.00 C ATOM 7 SD MET A 1 -18.709 -4.335 -3.857 1.00 0.00 S ATOM 8 CE MET A 1 -16.997 -4.648 -3.427 1.00 0.00 C ATOM 0 H1 MET A 1 -20.379 -4.393 1.362 1.00 0.00 H new ATOM 0 H2 MET A 1 -19.945 -5.942 1.906 1.00 0.00 H new ATOM 0 H3 MET A 1 -18.766 -4.912 1.250 1.00 0.00 H new ATOM 0 HA MET A 1 -21.096 -5.660 -0.367 1.00 0.00 H new ATOM 0 HB2 MET A 1 -19.437 -3.913 -1.084 1.00 0.00 H new ATOM 0 HB3 MET A 1 -18.174 -5.127 -1.037 1.00 0.00 H new ATOM 0 HG2 MET A 1 -19.285 -6.409 -2.808 1.00 0.00 H new ATOM 0 HG3 MET A 1 -20.637 -5.294 -2.808 1.00 0.00 H new ATOM 0 HE1 MET A 1 -16.576 -3.766 -2.945 1.00 0.00 H new ATOM 0 HE2 MET A 1 -16.943 -5.495 -2.744 1.00 0.00 H new ATOM 0 HE3 MET A 1 -16.430 -4.873 -4.330 1.00 0.00 H new ATOM 20 N ASP A 2 -18.868 -7.701 0.741 1.00 0.00 N ATOM 21 CA ASP A 2 -18.438 -9.102 0.818 1.00 0.00 C ATOM 22 C ASP A 2 -17.605 -9.457 -0.407 1.00 0.00 C ATOM 23 O ASP A 2 -18.071 -10.129 -1.327 1.00 0.00 O ATOM 24 CB ASP A 2 -19.645 -10.039 0.947 1.00 0.00 C ATOM 25 CG ASP A 2 -19.268 -11.444 1.376 1.00 0.00 C ATOM 26 OD1 ASP A 2 -18.974 -12.291 0.505 1.00 0.00 O ATOM 27 OD2 ASP A 2 -19.297 -11.717 2.598 1.00 0.00 O ATOM 0 H ASP A 2 -18.498 -7.113 1.488 1.00 0.00 H new ATOM 0 HA ASP A 2 -17.823 -9.230 1.709 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -20.345 -9.621 1.670 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -20.165 -10.085 -0.010 1.00 0.00 H new ATOM 32 N GLU A 3 -16.380 -8.958 -0.427 1.00 0.00 N ATOM 33 CA GLU A 3 -15.502 -9.126 -1.574 1.00 0.00 C ATOM 34 C GLU A 3 -14.056 -8.926 -1.130 1.00 0.00 C ATOM 35 O GLU A 3 -13.791 -8.143 -0.220 1.00 0.00 O ATOM 36 CB GLU A 3 -15.891 -8.115 -2.662 1.00 0.00 C ATOM 37 CG GLU A 3 -15.750 -8.634 -4.085 1.00 0.00 C ATOM 38 CD GLU A 3 -14.312 -8.846 -4.494 1.00 0.00 C ATOM 39 OE1 GLU A 3 -13.665 -7.873 -4.916 1.00 0.00 O ATOM 40 OE2 GLU A 3 -13.821 -9.990 -4.396 1.00 0.00 O ATOM 0 H GLU A 3 -15.969 -8.430 0.343 1.00 0.00 H new ATOM 0 HA GLU A 3 -15.602 -10.130 -1.986 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -16.924 -7.807 -2.502 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -15.272 -7.224 -2.551 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -16.291 -9.575 -4.178 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -16.217 -7.928 -4.772 1.00 0.00 H new ATOM 47 N LEU A 4 -13.131 -9.638 -1.760 1.00 0.00 N ATOM 48 CA LEU A 4 -11.731 -9.599 -1.351 1.00 0.00 C ATOM 49 C LEU A 4 -10.834 -9.073 -2.469 1.00 0.00 C ATOM 50 O LEU A 4 -9.783 -8.485 -2.208 1.00 0.00 O ATOM 51 CB LEU A 4 -11.244 -10.990 -0.920 1.00 0.00 C ATOM 52 CG LEU A 4 -11.782 -11.508 0.422 1.00 0.00 C ATOM 53 CD1 LEU A 4 -13.233 -11.957 0.303 1.00 0.00 C ATOM 54 CD2 LEU A 4 -10.908 -12.643 0.940 1.00 0.00 C ATOM 0 H LEU A 4 -13.323 -10.248 -2.554 1.00 0.00 H new ATOM 0 HA LEU A 4 -11.667 -8.917 -0.503 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -11.515 -11.705 -1.697 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -10.155 -10.972 -0.869 1.00 0.00 H new ATOM 0 HG LEU A 4 -11.749 -10.686 1.138 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -13.583 -12.318 1.270 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -13.849 -11.116 -0.015 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -13.307 -12.759 -0.432 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -11.302 -13.000 1.892 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -10.907 -13.460 0.218 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -9.889 -12.282 1.081 1.00 0.00 H new ATOM 66 N ARG A 5 -11.254 -9.265 -3.714 1.00 0.00 N ATOM 67 CA ARG A 5 -10.424 -8.911 -4.861 1.00 0.00 C ATOM 68 C ARG A 5 -10.249 -7.401 -4.993 1.00 0.00 C ATOM 69 O ARG A 5 -9.169 -6.937 -5.350 1.00 0.00 O ATOM 70 CB ARG A 5 -10.981 -9.507 -6.161 1.00 0.00 C ATOM 71 CG ARG A 5 -10.432 -10.892 -6.482 1.00 0.00 C ATOM 72 CD ARG A 5 -10.903 -11.947 -5.490 1.00 0.00 C ATOM 73 NE ARG A 5 -12.306 -12.309 -5.695 1.00 0.00 N ATOM 74 CZ ARG A 5 -12.850 -13.471 -5.319 1.00 0.00 C ATOM 75 NH1 ARG A 5 -12.130 -14.370 -4.661 1.00 0.00 N ATOM 76 NH2 ARG A 5 -14.125 -13.726 -5.596 1.00 0.00 N ATOM 0 H ARG A 5 -12.162 -9.663 -3.955 1.00 0.00 H new ATOM 0 HA ARG A 5 -9.439 -9.343 -4.683 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -12.067 -9.564 -6.089 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -10.751 -8.834 -6.987 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -10.741 -11.178 -7.487 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -9.343 -10.857 -6.481 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -10.282 -12.837 -5.586 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -10.770 -11.574 -4.474 1.00 0.00 H new ATOM 0 HE ARG A 5 -12.910 -11.629 -6.156 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -11.153 -14.177 -4.438 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -12.553 -15.254 -4.378 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -14.686 -13.036 -6.095 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -14.542 -14.612 -5.310 1.00 0.00 H new ATOM 90 N GLU A 6 -11.295 -6.635 -4.697 1.00 0.00 N ATOM 91 CA GLU A 6 -11.199 -5.172 -4.708 1.00 0.00 C ATOM 92 C GLU A 6 -10.120 -4.691 -3.740 1.00 0.00 C ATOM 93 O GLU A 6 -9.420 -3.713 -4.008 1.00 0.00 O ATOM 94 CB GLU A 6 -12.541 -4.533 -4.338 1.00 0.00 C ATOM 95 CG GLU A 6 -13.575 -4.584 -5.449 1.00 0.00 C ATOM 96 CD GLU A 6 -13.115 -3.874 -6.706 1.00 0.00 C ATOM 97 OE1 GLU A 6 -13.147 -2.626 -6.742 1.00 0.00 O ATOM 98 OE2 GLU A 6 -12.717 -4.561 -7.671 1.00 0.00 O ATOM 0 H GLU A 6 -12.215 -6.997 -4.447 1.00 0.00 H new ATOM 0 HA GLU A 6 -10.930 -4.868 -5.719 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -12.942 -5.037 -3.459 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -12.372 -3.493 -4.060 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -13.798 -5.624 -5.685 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -14.502 -4.130 -5.099 1.00 0.00 H new ATOM 105 N LEU A 7 -9.987 -5.392 -2.621 1.00 0.00 N ATOM 106 CA LEU A 7 -8.992 -5.052 -1.612 1.00 0.00 C ATOM 107 C LEU A 7 -7.595 -5.388 -2.121 1.00 0.00 C ATOM 108 O LEU A 7 -6.659 -4.598 -1.982 1.00 0.00 O ATOM 109 CB LEU A 7 -9.269 -5.809 -0.300 1.00 0.00 C ATOM 110 CG LEU A 7 -10.512 -5.369 0.493 1.00 0.00 C ATOM 111 CD1 LEU A 7 -11.798 -5.632 -0.279 1.00 0.00 C ATOM 112 CD2 LEU A 7 -10.556 -6.077 1.836 1.00 0.00 C ATOM 0 H LEU A 7 -10.559 -6.204 -2.389 1.00 0.00 H new ATOM 0 HA LEU A 7 -9.053 -3.982 -1.415 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -9.369 -6.869 -0.532 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -8.397 -5.705 0.346 1.00 0.00 H new ATOM 0 HG LEU A 7 -10.436 -4.294 0.654 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -12.652 -5.307 0.315 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -11.778 -5.079 -1.218 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -11.886 -6.698 -0.488 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -11.440 -5.757 2.387 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -10.597 -7.155 1.678 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -9.662 -5.828 2.408 1.00 0.00 H new ATOM 124 N LEU A 8 -7.480 -6.553 -2.749 1.00 0.00 N ATOM 125 CA LEU A 8 -6.213 -7.013 -3.302 1.00 0.00 C ATOM 126 C LEU A 8 -5.782 -6.102 -4.450 1.00 0.00 C ATOM 127 O LEU A 8 -4.607 -5.760 -4.579 1.00 0.00 O ATOM 128 CB LEU A 8 -6.363 -8.475 -3.768 1.00 0.00 C ATOM 129 CG LEU A 8 -5.078 -9.211 -4.189 1.00 0.00 C ATOM 130 CD1 LEU A 8 -4.677 -8.857 -5.614 1.00 0.00 C ATOM 131 CD2 LEU A 8 -3.938 -8.911 -3.221 1.00 0.00 C ATOM 0 H LEU A 8 -8.256 -7.200 -2.888 1.00 0.00 H new ATOM 0 HA LEU A 8 -5.437 -6.972 -2.538 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -6.829 -9.041 -2.961 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -7.055 -8.493 -4.610 1.00 0.00 H new ATOM 0 HG LEU A 8 -5.286 -10.281 -4.156 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -3.766 -9.394 -5.880 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -5.477 -9.140 -6.298 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -4.500 -7.784 -5.686 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -3.041 -9.442 -3.539 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -3.741 -7.839 -3.212 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -4.216 -9.237 -2.219 1.00 0.00 H new ATOM 143 N LYS A 9 -6.749 -5.695 -5.264 1.00 0.00 N ATOM 144 CA LYS A 9 -6.489 -4.821 -6.404 1.00 0.00 C ATOM 145 C LYS A 9 -5.924 -3.475 -5.961 1.00 0.00 C ATOM 146 O LYS A 9 -4.996 -2.960 -6.576 1.00 0.00 O ATOM 147 CB LYS A 9 -7.765 -4.620 -7.221 1.00 0.00 C ATOM 148 CG LYS A 9 -8.110 -5.813 -8.104 1.00 0.00 C ATOM 149 CD LYS A 9 -9.532 -5.751 -8.657 1.00 0.00 C ATOM 150 CE LYS A 9 -9.802 -4.469 -9.434 1.00 0.00 C ATOM 151 NZ LYS A 9 -10.476 -3.446 -8.592 1.00 0.00 N ATOM 0 H LYS A 9 -7.728 -5.958 -5.155 1.00 0.00 H new ATOM 0 HA LYS A 9 -5.740 -5.305 -7.030 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -8.596 -4.427 -6.542 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -7.652 -3.735 -7.847 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -7.405 -5.861 -8.934 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -7.989 -6.731 -7.529 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -9.703 -6.609 -9.308 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -10.242 -5.829 -7.834 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -8.861 -4.067 -9.811 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -10.423 -4.693 -10.301 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -10.373 -2.510 -9.034 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -11.486 -3.678 -8.505 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -10.042 -3.433 -7.647 1.00 0.00 H new ATOM 165 N ALA A 10 -6.475 -2.916 -4.889 1.00 0.00 N ATOM 166 CA ALA A 10 -5.999 -1.635 -4.373 1.00 0.00 C ATOM 167 C ALA A 10 -4.575 -1.759 -3.843 1.00 0.00 C ATOM 168 O ALA A 10 -3.740 -0.887 -4.077 1.00 0.00 O ATOM 169 CB ALA A 10 -6.928 -1.117 -3.286 1.00 0.00 C ATOM 0 H ALA A 10 -7.247 -3.325 -4.362 1.00 0.00 H new ATOM 0 HA ALA A 10 -5.996 -0.919 -5.195 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -6.556 -0.162 -2.914 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -7.929 -0.982 -3.696 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -6.966 -1.835 -2.467 1.00 0.00 H new ATOM 175 N GLU A 11 -4.303 -2.854 -3.141 1.00 0.00 N ATOM 176 CA GLU A 11 -2.962 -3.124 -2.633 1.00 0.00 C ATOM 177 C GLU A 11 -1.978 -3.244 -3.803 1.00 0.00 C ATOM 178 O GLU A 11 -0.880 -2.684 -3.774 1.00 0.00 O ATOM 179 CB GLU A 11 -2.973 -4.414 -1.801 1.00 0.00 C ATOM 180 CG GLU A 11 -1.648 -4.736 -1.123 1.00 0.00 C ATOM 181 CD GLU A 11 -1.282 -3.762 -0.016 1.00 0.00 C ATOM 182 OE1 GLU A 11 -0.996 -2.599 -0.285 1.00 0.00 O ATOM 183 OE2 GLU A 11 -1.231 -4.156 1.161 1.00 0.00 O ATOM 0 H GLU A 11 -4.993 -3.569 -2.911 1.00 0.00 H new ATOM 0 HA GLU A 11 -2.643 -2.301 -1.994 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -3.747 -4.333 -1.038 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -3.248 -5.247 -2.448 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -1.696 -5.743 -0.709 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -0.856 -4.737 -1.872 1.00 0.00 H new ATOM 190 N GLN A 12 -2.396 -3.967 -4.839 1.00 0.00 N ATOM 191 CA GLN A 12 -1.596 -4.130 -6.048 1.00 0.00 C ATOM 192 C GLN A 12 -1.352 -2.787 -6.732 1.00 0.00 C ATOM 193 O GLN A 12 -0.259 -2.531 -7.246 1.00 0.00 O ATOM 194 CB GLN A 12 -2.299 -5.089 -7.011 1.00 0.00 C ATOM 195 CG GLN A 12 -2.186 -6.553 -6.611 1.00 0.00 C ATOM 196 CD GLN A 12 -0.775 -7.093 -6.751 1.00 0.00 C ATOM 197 OE1 GLN A 12 -0.001 -6.641 -7.596 1.00 0.00 O ATOM 198 NE2 GLN A 12 -0.433 -8.069 -5.927 1.00 0.00 N ATOM 0 H GLN A 12 -3.292 -4.453 -4.864 1.00 0.00 H new ATOM 0 HA GLN A 12 -0.629 -4.546 -5.765 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -3.353 -4.819 -7.073 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -1.878 -4.961 -8.008 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -2.514 -6.669 -5.578 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -2.860 -7.147 -7.228 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -1.103 -8.416 -5.241 1.00 0.00 H new ATOM 0 HE22 GLN A 12 0.501 -8.475 -5.978 1.00 0.00 H new ATOM 207 N GLN A 13 -2.372 -1.934 -6.733 1.00 0.00 N ATOM 208 CA GLN A 13 -2.280 -0.620 -7.334 1.00 0.00 C ATOM 209 C GLN A 13 -1.208 0.218 -6.653 1.00 0.00 C ATOM 210 O GLN A 13 -0.405 0.865 -7.326 1.00 0.00 O ATOM 211 CB GLN A 13 -3.636 0.075 -7.261 1.00 0.00 C ATOM 212 CG GLN A 13 -4.620 -0.410 -8.313 1.00 0.00 C ATOM 213 CD GLN A 13 -5.949 0.310 -8.249 1.00 0.00 C ATOM 214 OE1 GLN A 13 -6.865 -0.114 -7.544 1.00 0.00 O ATOM 215 NE2 GLN A 13 -6.068 1.399 -8.990 1.00 0.00 N ATOM 0 H GLN A 13 -3.280 -2.139 -6.317 1.00 0.00 H new ATOM 0 HA GLN A 13 -1.995 -0.733 -8.380 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -4.065 -0.085 -6.272 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -3.492 1.149 -7.376 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -4.184 -0.272 -9.303 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -4.785 -1.480 -8.184 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -5.284 1.716 -9.560 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -6.944 1.922 -8.991 1.00 0.00 H new ATOM 224 N GLY A 14 -1.186 0.192 -5.321 1.00 0.00 N ATOM 225 CA GLY A 14 -0.168 0.917 -4.583 1.00 0.00 C ATOM 226 C GLY A 14 1.228 0.443 -4.935 1.00 0.00 C ATOM 227 O GLY A 14 2.111 1.252 -5.216 1.00 0.00 O ATOM 0 H GLY A 14 -1.854 -0.317 -4.743 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -0.254 1.983 -4.796 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -0.336 0.791 -3.513 1.00 0.00 H new ATOM 231 N ILE A 15 1.406 -0.872 -4.963 1.00 0.00 N ATOM 232 CA ILE A 15 2.691 -1.481 -5.305 1.00 0.00 C ATOM 233 C ILE A 15 3.149 -1.054 -6.698 1.00 0.00 C ATOM 234 O ILE A 15 4.326 -0.756 -6.917 1.00 0.00 O ATOM 235 CB ILE A 15 2.589 -3.025 -5.264 1.00 0.00 C ATOM 236 CG1 ILE A 15 2.188 -3.500 -3.866 1.00 0.00 C ATOM 237 CG2 ILE A 15 3.903 -3.672 -5.684 1.00 0.00 C ATOM 238 CD1 ILE A 15 1.958 -4.995 -3.764 1.00 0.00 C ATOM 0 H ILE A 15 0.670 -1.545 -4.751 1.00 0.00 H new ATOM 0 HA ILE A 15 3.419 -1.140 -4.569 1.00 0.00 H new ATOM 0 HB ILE A 15 1.818 -3.329 -5.972 1.00 0.00 H new ATOM 0 HG12 ILE A 15 2.967 -3.214 -3.159 1.00 0.00 H new ATOM 0 HG13 ILE A 15 1.278 -2.982 -3.565 1.00 0.00 H new ATOM 0 HG21 ILE A 15 3.803 -4.757 -5.646 1.00 0.00 H new ATOM 0 HG22 ILE A 15 4.151 -3.366 -6.700 1.00 0.00 H new ATOM 0 HG23 ILE A 15 4.697 -3.357 -5.006 1.00 0.00 H new ATOM 0 HD11 ILE A 15 1.677 -5.251 -2.742 1.00 0.00 H new ATOM 0 HD12 ILE A 15 1.158 -5.287 -4.444 1.00 0.00 H new ATOM 0 HD13 ILE A 15 2.873 -5.523 -4.032 1.00 0.00 H new ATOM 250 N LYS A 16 2.211 -1.029 -7.633 1.00 0.00 N ATOM 251 CA LYS A 16 2.511 -0.686 -9.016 1.00 0.00 C ATOM 252 C LYS A 16 2.974 0.763 -9.129 1.00 0.00 C ATOM 253 O LYS A 16 3.922 1.068 -9.852 1.00 0.00 O ATOM 254 CB LYS A 16 1.284 -0.938 -9.894 1.00 0.00 C ATOM 255 CG LYS A 16 1.542 -0.758 -11.382 1.00 0.00 C ATOM 256 CD LYS A 16 0.482 -1.459 -12.217 1.00 0.00 C ATOM 257 CE LYS A 16 0.594 -2.974 -12.093 1.00 0.00 C ATOM 258 NZ LYS A 16 -0.450 -3.681 -12.878 1.00 0.00 N ATOM 0 H LYS A 16 1.229 -1.244 -7.458 1.00 0.00 H new ATOM 0 HA LYS A 16 3.325 -1.321 -9.365 1.00 0.00 H new ATOM 0 HB2 LYS A 16 0.926 -1.952 -9.718 1.00 0.00 H new ATOM 0 HB3 LYS A 16 0.486 -0.261 -9.589 1.00 0.00 H new ATOM 0 HG2 LYS A 16 1.555 0.305 -11.625 1.00 0.00 H new ATOM 0 HG3 LYS A 16 2.526 -1.154 -11.633 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -0.509 -1.138 -11.896 1.00 0.00 H new ATOM 0 HD3 LYS A 16 0.588 -1.168 -13.262 1.00 0.00 H new ATOM 0 HE2 LYS A 16 1.579 -3.293 -12.433 1.00 0.00 H new ATOM 0 HE3 LYS A 16 0.512 -3.258 -11.044 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -0.334 -4.708 -12.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -1.391 -3.398 -12.538 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -0.356 -3.432 -13.883 1.00 0.00 H new ATOM 272 N ILE A 17 2.314 1.649 -8.394 1.00 0.00 N ATOM 273 CA ILE A 17 2.689 3.060 -8.389 1.00 0.00 C ATOM 274 C ILE A 17 4.041 3.255 -7.696 1.00 0.00 C ATOM 275 O ILE A 17 4.822 4.130 -8.071 1.00 0.00 O ATOM 276 CB ILE A 17 1.623 3.940 -7.699 1.00 0.00 C ATOM 277 CG1 ILE A 17 0.248 3.702 -8.329 1.00 0.00 C ATOM 278 CG2 ILE A 17 1.999 5.417 -7.801 1.00 0.00 C ATOM 279 CD1 ILE A 17 -0.879 4.434 -7.633 1.00 0.00 C ATOM 0 H ILE A 17 1.520 1.419 -7.796 1.00 0.00 H new ATOM 0 HA ILE A 17 2.764 3.373 -9.430 1.00 0.00 H new ATOM 0 HB ILE A 17 1.580 3.664 -6.645 1.00 0.00 H new ATOM 0 HG12 ILE A 17 0.279 4.012 -9.374 1.00 0.00 H new ATOM 0 HG13 ILE A 17 0.035 2.633 -8.320 1.00 0.00 H new ATOM 0 HG21 ILE A 17 1.237 6.021 -7.310 1.00 0.00 H new ATOM 0 HG22 ILE A 17 2.961 5.582 -7.316 1.00 0.00 H new ATOM 0 HG23 ILE A 17 2.068 5.703 -8.850 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -1.821 4.216 -8.137 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -0.939 4.107 -6.595 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -0.691 5.507 -7.665 1.00 0.00 H new ATOM 291 N LEU A 18 4.310 2.429 -6.688 1.00 0.00 N ATOM 292 CA LEU A 18 5.573 2.482 -5.951 1.00 0.00 C ATOM 293 C LEU A 18 6.769 2.308 -6.889 1.00 0.00 C ATOM 294 O LEU A 18 7.805 2.951 -6.712 1.00 0.00 O ATOM 295 CB LEU A 18 5.602 1.401 -4.865 1.00 0.00 C ATOM 296 CG LEU A 18 4.635 1.611 -3.696 1.00 0.00 C ATOM 297 CD1 LEU A 18 4.692 0.430 -2.740 1.00 0.00 C ATOM 298 CD2 LEU A 18 4.955 2.903 -2.962 1.00 0.00 C ATOM 0 H LEU A 18 3.666 1.709 -6.360 1.00 0.00 H new ATOM 0 HA LEU A 18 5.645 3.464 -5.483 1.00 0.00 H new ATOM 0 HB2 LEU A 18 5.380 0.440 -5.328 1.00 0.00 H new ATOM 0 HB3 LEU A 18 6.615 1.337 -4.468 1.00 0.00 H new ATOM 0 HG LEU A 18 3.624 1.684 -4.097 1.00 0.00 H new ATOM 0 HD11 LEU A 18 3.999 0.596 -1.915 1.00 0.00 H new ATOM 0 HD12 LEU A 18 4.414 -0.481 -3.270 1.00 0.00 H new ATOM 0 HD13 LEU A 18 5.704 0.327 -2.348 1.00 0.00 H new ATOM 0 HD21 LEU A 18 4.257 3.034 -2.135 1.00 0.00 H new ATOM 0 HD22 LEU A 18 5.973 2.859 -2.574 1.00 0.00 H new ATOM 0 HD23 LEU A 18 4.865 3.744 -3.650 1.00 0.00 H new ATOM 310 N LYS A 19 6.616 1.444 -7.887 1.00 0.00 N ATOM 311 CA LYS A 19 7.677 1.199 -8.862 1.00 0.00 C ATOM 312 C LYS A 19 7.923 2.437 -9.719 1.00 0.00 C ATOM 313 O LYS A 19 9.064 2.755 -10.059 1.00 0.00 O ATOM 314 CB LYS A 19 7.320 0.009 -9.757 1.00 0.00 C ATOM 315 CG LYS A 19 7.175 -1.304 -9.001 1.00 0.00 C ATOM 316 CD LYS A 19 6.749 -2.435 -9.926 1.00 0.00 C ATOM 317 CE LYS A 19 7.782 -2.700 -11.013 1.00 0.00 C ATOM 318 NZ LYS A 19 9.075 -3.179 -10.458 1.00 0.00 N ATOM 0 H LYS A 19 5.767 0.900 -8.043 1.00 0.00 H new ATOM 0 HA LYS A 19 8.590 0.968 -8.314 1.00 0.00 H new ATOM 0 HB2 LYS A 19 6.386 0.224 -10.276 1.00 0.00 H new ATOM 0 HB3 LYS A 19 8.090 -0.104 -10.520 1.00 0.00 H new ATOM 0 HG2 LYS A 19 8.122 -1.558 -8.526 1.00 0.00 H new ATOM 0 HG3 LYS A 19 6.440 -1.187 -8.204 1.00 0.00 H new ATOM 0 HD2 LYS A 19 6.595 -3.343 -9.342 1.00 0.00 H new ATOM 0 HD3 LYS A 19 5.793 -2.186 -10.387 1.00 0.00 H new ATOM 0 HE2 LYS A 19 7.391 -3.442 -11.709 1.00 0.00 H new ATOM 0 HE3 LYS A 19 7.950 -1.786 -11.582 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 9.692 -3.490 -11.235 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 9.537 -2.406 -9.937 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 8.902 -3.976 -9.813 1.00 0.00 H new ATOM 332 N GLU A 20 6.845 3.139 -10.048 1.00 0.00 N ATOM 333 CA GLU A 20 6.932 4.357 -10.843 1.00 0.00 C ATOM 334 C GLU A 20 7.731 5.428 -10.115 1.00 0.00 C ATOM 335 O GLU A 20 8.483 6.182 -10.731 1.00 0.00 O ATOM 336 CB GLU A 20 5.536 4.884 -11.161 1.00 0.00 C ATOM 337 CG GLU A 20 4.942 4.298 -12.427 1.00 0.00 C ATOM 338 CD GLU A 20 5.675 4.767 -13.664 1.00 0.00 C ATOM 339 OE1 GLU A 20 5.463 5.927 -14.074 1.00 0.00 O ATOM 340 OE2 GLU A 20 6.467 3.986 -14.230 1.00 0.00 O ATOM 0 H GLU A 20 5.896 2.883 -9.775 1.00 0.00 H new ATOM 0 HA GLU A 20 7.445 4.114 -11.773 1.00 0.00 H new ATOM 0 HB2 GLU A 20 4.874 4.665 -10.323 1.00 0.00 H new ATOM 0 HB3 GLU A 20 5.579 5.969 -11.258 1.00 0.00 H new ATOM 0 HG2 GLU A 20 4.978 3.210 -12.375 1.00 0.00 H new ATOM 0 HG3 GLU A 20 3.891 4.579 -12.499 1.00 0.00 H new ATOM 347 N VAL A 21 7.567 5.483 -8.802 1.00 0.00 N ATOM 348 CA VAL A 21 8.290 6.443 -7.981 1.00 0.00 C ATOM 349 C VAL A 21 9.795 6.229 -8.103 1.00 0.00 C ATOM 350 O VAL A 21 10.557 7.185 -8.223 1.00 0.00 O ATOM 351 CB VAL A 21 7.876 6.334 -6.499 1.00 0.00 C ATOM 352 CG1 VAL A 21 8.639 7.336 -5.648 1.00 0.00 C ATOM 353 CG2 VAL A 21 6.378 6.535 -6.344 1.00 0.00 C ATOM 0 H VAL A 21 6.938 4.872 -8.281 1.00 0.00 H new ATOM 0 HA VAL A 21 8.036 7.439 -8.343 1.00 0.00 H new ATOM 0 HB VAL A 21 8.127 5.332 -6.152 1.00 0.00 H new ATOM 0 HG11 VAL A 21 8.330 7.240 -4.607 1.00 0.00 H new ATOM 0 HG12 VAL A 21 9.709 7.142 -5.728 1.00 0.00 H new ATOM 0 HG13 VAL A 21 8.427 8.346 -5.998 1.00 0.00 H new ATOM 0 HG21 VAL A 21 6.107 6.454 -5.291 1.00 0.00 H new ATOM 0 HG22 VAL A 21 6.103 7.522 -6.715 1.00 0.00 H new ATOM 0 HG23 VAL A 21 5.848 5.773 -6.915 1.00 0.00 H new ATOM 363 N LEU A 22 10.204 4.969 -8.105 1.00 0.00 N ATOM 364 CA LEU A 22 11.617 4.616 -8.195 1.00 0.00 C ATOM 365 C LEU A 22 12.205 5.091 -9.519 1.00 0.00 C ATOM 366 O LEU A 22 13.344 5.556 -9.577 1.00 0.00 O ATOM 367 CB LEU A 22 11.792 3.102 -8.060 1.00 0.00 C ATOM 368 CG LEU A 22 11.124 2.479 -6.834 1.00 0.00 C ATOM 369 CD1 LEU A 22 11.424 0.989 -6.767 1.00 0.00 C ATOM 370 CD2 LEU A 22 11.584 3.175 -5.562 1.00 0.00 C ATOM 0 H LEU A 22 9.575 4.168 -8.045 1.00 0.00 H new ATOM 0 HA LEU A 22 12.148 5.110 -7.381 1.00 0.00 H new ATOM 0 HB2 LEU A 22 11.392 2.624 -8.954 1.00 0.00 H new ATOM 0 HB3 LEU A 22 12.858 2.876 -8.028 1.00 0.00 H new ATOM 0 HG LEU A 22 10.046 2.611 -6.924 1.00 0.00 H new ATOM 0 HD11 LEU A 22 10.942 0.560 -5.889 1.00 0.00 H new ATOM 0 HD12 LEU A 22 11.044 0.501 -7.665 1.00 0.00 H new ATOM 0 HD13 LEU A 22 12.501 0.837 -6.700 1.00 0.00 H new ATOM 0 HD21 LEU A 22 11.098 2.717 -4.701 1.00 0.00 H new ATOM 0 HD22 LEU A 22 12.665 3.076 -5.463 1.00 0.00 H new ATOM 0 HD23 LEU A 22 11.320 4.231 -5.609 1.00 0.00 H new ATOM 382 N LYS A 23 11.413 4.981 -10.576 1.00 0.00 N ATOM 383 CA LYS A 23 11.837 5.403 -11.905 1.00 0.00 C ATOM 384 C LYS A 23 11.898 6.926 -12.007 1.00 0.00 C ATOM 385 O LYS A 23 12.897 7.494 -12.455 1.00 0.00 O ATOM 386 CB LYS A 23 10.863 4.854 -12.949 1.00 0.00 C ATOM 387 CG LYS A 23 10.851 3.335 -13.040 1.00 0.00 C ATOM 388 CD LYS A 23 9.669 2.833 -13.860 1.00 0.00 C ATOM 389 CE LYS A 23 9.646 3.439 -15.254 1.00 0.00 C ATOM 390 NZ LYS A 23 10.839 3.058 -16.052 1.00 0.00 N ATOM 0 H LYS A 23 10.467 4.601 -10.539 1.00 0.00 H new ATOM 0 HA LYS A 23 12.837 5.010 -12.088 1.00 0.00 H new ATOM 0 HB2 LYS A 23 9.858 5.202 -12.713 1.00 0.00 H new ATOM 0 HB3 LYS A 23 11.122 5.265 -13.925 1.00 0.00 H new ATOM 0 HG2 LYS A 23 11.781 2.989 -13.491 1.00 0.00 H new ATOM 0 HG3 LYS A 23 10.806 2.910 -12.037 1.00 0.00 H new ATOM 0 HD2 LYS A 23 9.716 1.747 -13.937 1.00 0.00 H new ATOM 0 HD3 LYS A 23 8.740 3.076 -13.344 1.00 0.00 H new ATOM 0 HE2 LYS A 23 8.745 3.115 -15.774 1.00 0.00 H new ATOM 0 HE3 LYS A 23 9.596 4.525 -15.175 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 10.748 3.438 -17.016 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 11.694 3.448 -15.606 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 10.912 2.021 -16.094 1.00 0.00 H new ATOM 404 N LYS A 24 10.838 7.579 -11.551 1.00 0.00 N ATOM 405 CA LYS A 24 10.703 9.025 -11.684 1.00 0.00 C ATOM 406 C LYS A 24 11.644 9.772 -10.743 1.00 0.00 C ATOM 407 O LYS A 24 12.045 10.904 -11.024 1.00 0.00 O ATOM 408 CB LYS A 24 9.247 9.442 -11.449 1.00 0.00 C ATOM 409 CG LYS A 24 8.397 9.434 -12.716 1.00 0.00 C ATOM 410 CD LYS A 24 8.389 8.069 -13.390 1.00 0.00 C ATOM 411 CE LYS A 24 7.763 8.123 -14.776 1.00 0.00 C ATOM 412 NZ LYS A 24 6.296 8.360 -14.727 1.00 0.00 N ATOM 0 H LYS A 24 10.053 7.127 -11.082 1.00 0.00 H new ATOM 0 HA LYS A 24 10.987 9.296 -12.701 1.00 0.00 H new ATOM 0 HB2 LYS A 24 8.799 8.770 -10.717 1.00 0.00 H new ATOM 0 HB3 LYS A 24 9.230 10.442 -11.016 1.00 0.00 H new ATOM 0 HG2 LYS A 24 7.375 9.722 -12.469 1.00 0.00 H new ATOM 0 HG3 LYS A 24 8.779 10.180 -13.413 1.00 0.00 H new ATOM 0 HD2 LYS A 24 9.410 7.697 -13.468 1.00 0.00 H new ATOM 0 HD3 LYS A 24 7.838 7.362 -12.770 1.00 0.00 H new ATOM 0 HE2 LYS A 24 8.237 8.915 -15.355 1.00 0.00 H new ATOM 0 HE3 LYS A 24 7.960 7.186 -15.297 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 5.906 8.321 -15.690 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 5.846 7.628 -14.141 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 6.109 9.297 -14.316 1.00 0.00 H new ATOM 426 N ALA A 25 12.003 9.137 -9.634 1.00 0.00 N ATOM 427 CA ALA A 25 12.962 9.721 -8.705 1.00 0.00 C ATOM 428 C ALA A 25 14.351 9.775 -9.334 1.00 0.00 C ATOM 429 O ALA A 25 15.107 10.724 -9.121 1.00 0.00 O ATOM 430 CB ALA A 25 12.996 8.936 -7.401 1.00 0.00 C ATOM 0 H ALA A 25 11.647 8.222 -9.357 1.00 0.00 H new ATOM 0 HA ALA A 25 12.644 10.740 -8.482 1.00 0.00 H new ATOM 0 HB1 ALA A 25 13.718 9.389 -6.722 1.00 0.00 H new ATOM 0 HB2 ALA A 25 12.008 8.951 -6.942 1.00 0.00 H new ATOM 0 HB3 ALA A 25 13.286 7.905 -7.604 1.00 0.00 H new ATOM 436 N LYS A 26 14.676 8.755 -10.120 1.00 0.00 N ATOM 437 CA LYS A 26 15.947 8.709 -10.831 1.00 0.00 C ATOM 438 C LYS A 26 15.956 9.718 -11.974 1.00 0.00 C ATOM 439 O LYS A 26 16.992 10.307 -12.286 1.00 0.00 O ATOM 440 CB LYS A 26 16.223 7.297 -11.354 1.00 0.00 C ATOM 441 CG LYS A 26 16.633 6.315 -10.267 1.00 0.00 C ATOM 442 CD LYS A 26 18.001 6.661 -9.698 1.00 0.00 C ATOM 443 CE LYS A 26 18.401 5.711 -8.582 1.00 0.00 C ATOM 444 NZ LYS A 26 19.804 5.931 -8.143 1.00 0.00 N ATOM 0 H LYS A 26 14.075 7.947 -10.281 1.00 0.00 H new ATOM 0 HA LYS A 26 16.741 8.974 -10.133 1.00 0.00 H new ATOM 0 HB2 LYS A 26 15.329 6.922 -11.853 1.00 0.00 H new ATOM 0 HB3 LYS A 26 17.011 7.344 -12.105 1.00 0.00 H new ATOM 0 HG2 LYS A 26 15.892 6.323 -9.468 1.00 0.00 H new ATOM 0 HG3 LYS A 26 16.651 5.304 -10.675 1.00 0.00 H new ATOM 0 HD2 LYS A 26 18.746 6.623 -10.493 1.00 0.00 H new ATOM 0 HD3 LYS A 26 17.990 7.683 -9.320 1.00 0.00 H new ATOM 0 HE2 LYS A 26 17.730 5.845 -7.734 1.00 0.00 H new ATOM 0 HE3 LYS A 26 18.284 4.682 -8.922 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 20.038 5.263 -7.381 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 20.447 5.779 -8.946 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 19.910 6.905 -7.795 1.00 0.00 H new ATOM 458 N GLU A 27 14.795 9.913 -12.594 1.00 0.00 N ATOM 459 CA GLU A 27 14.640 10.921 -13.635 1.00 0.00 C ATOM 460 C GLU A 27 14.782 12.320 -13.040 1.00 0.00 C ATOM 461 O GLU A 27 15.256 13.247 -13.702 1.00 0.00 O ATOM 462 CB GLU A 27 13.290 10.761 -14.332 1.00 0.00 C ATOM 463 CG GLU A 27 13.186 9.475 -15.139 1.00 0.00 C ATOM 464 CD GLU A 27 11.819 9.267 -15.751 1.00 0.00 C ATOM 465 OE1 GLU A 27 11.565 9.792 -16.854 1.00 0.00 O ATOM 466 OE2 GLU A 27 10.996 8.558 -15.142 1.00 0.00 O ATOM 0 H GLU A 27 13.947 9.384 -12.392 1.00 0.00 H new ATOM 0 HA GLU A 27 15.425 10.783 -14.378 1.00 0.00 H new ATOM 0 HB2 GLU A 27 12.497 10.779 -13.584 1.00 0.00 H new ATOM 0 HB3 GLU A 27 13.125 11.612 -14.993 1.00 0.00 H new ATOM 0 HG2 GLU A 27 13.934 9.489 -15.932 1.00 0.00 H new ATOM 0 HG3 GLU A 27 13.421 8.628 -14.494 1.00 0.00 H new ATOM 473 N GLY A 28 14.371 12.458 -11.787 1.00 0.00 N ATOM 474 CA GLY A 28 14.594 13.690 -11.057 1.00 0.00 C ATOM 475 C GLY A 28 13.529 14.737 -11.305 1.00 0.00 C ATOM 476 O GLY A 28 13.827 15.932 -11.340 1.00 0.00 O ATOM 0 H GLY A 28 13.884 11.733 -11.260 1.00 0.00 H new ATOM 0 HA2 GLY A 28 14.635 13.469 -9.990 1.00 0.00 H new ATOM 0 HA3 GLY A 28 15.566 14.098 -11.335 1.00 0.00 H new ATOM 480 N ASP A 29 12.289 14.301 -11.480 1.00 0.00 N ATOM 481 CA ASP A 29 11.187 15.236 -11.656 1.00 0.00 C ATOM 482 C ASP A 29 10.280 15.227 -10.434 1.00 0.00 C ATOM 483 O ASP A 29 9.837 14.170 -9.984 1.00 0.00 O ATOM 484 CB ASP A 29 10.373 14.921 -12.909 1.00 0.00 C ATOM 485 CG ASP A 29 9.296 15.962 -13.138 1.00 0.00 C ATOM 486 OD1 ASP A 29 9.647 17.109 -13.496 1.00 0.00 O ATOM 487 OD2 ASP A 29 8.110 15.652 -12.923 1.00 0.00 O ATOM 0 H ASP A 29 12.023 13.317 -11.504 1.00 0.00 H new ATOM 0 HA ASP A 29 11.620 16.229 -11.776 1.00 0.00 H new ATOM 0 HB2 ASP A 29 11.034 14.881 -13.775 1.00 0.00 H new ATOM 0 HB3 ASP A 29 9.916 13.936 -12.811 1.00 0.00 H new ATOM 492 N GLU A 30 10.004 16.411 -9.906 1.00 0.00 N ATOM 493 CA GLU A 30 9.236 16.539 -8.679 1.00 0.00 C ATOM 494 C GLU A 30 7.746 16.644 -8.971 1.00 0.00 C ATOM 495 O GLU A 30 6.920 16.317 -8.120 1.00 0.00 O ATOM 496 CB GLU A 30 9.713 17.748 -7.878 1.00 0.00 C ATOM 497 CG GLU A 30 11.121 17.583 -7.329 1.00 0.00 C ATOM 498 CD GLU A 30 11.601 18.797 -6.562 1.00 0.00 C ATOM 499 OE1 GLU A 30 10.887 19.244 -5.638 1.00 0.00 O ATOM 500 OE2 GLU A 30 12.707 19.296 -6.865 1.00 0.00 O ATOM 0 H GLU A 30 10.302 17.298 -10.311 1.00 0.00 H new ATOM 0 HA GLU A 30 9.397 15.640 -8.084 1.00 0.00 H new ATOM 0 HB2 GLU A 30 9.679 18.633 -8.513 1.00 0.00 H new ATOM 0 HB3 GLU A 30 9.025 17.922 -7.051 1.00 0.00 H new ATOM 0 HG2 GLU A 30 11.151 16.711 -6.675 1.00 0.00 H new ATOM 0 HG3 GLU A 30 11.806 17.386 -8.154 1.00 0.00 H new ATOM 507 N GLN A 31 7.403 17.092 -10.173 1.00 0.00 N ATOM 508 CA GLN A 31 6.018 17.130 -10.602 1.00 0.00 C ATOM 509 C GLN A 31 5.451 15.714 -10.628 1.00 0.00 C ATOM 510 O GLN A 31 4.359 15.458 -10.114 1.00 0.00 O ATOM 511 CB GLN A 31 5.916 17.773 -11.983 1.00 0.00 C ATOM 512 CG GLN A 31 6.189 19.267 -11.992 1.00 0.00 C ATOM 513 CD GLN A 31 6.135 19.850 -13.391 1.00 0.00 C ATOM 514 OE1 GLN A 31 7.148 19.923 -14.088 1.00 0.00 O ATOM 515 NE2 GLN A 31 4.953 20.264 -13.823 1.00 0.00 N ATOM 0 H GLN A 31 8.069 17.434 -10.866 1.00 0.00 H new ATOM 0 HA GLN A 31 5.438 17.729 -9.899 1.00 0.00 H new ATOM 0 HB2 GLN A 31 6.621 17.282 -12.654 1.00 0.00 H new ATOM 0 HB3 GLN A 31 4.918 17.594 -12.383 1.00 0.00 H new ATOM 0 HG2 GLN A 31 5.458 19.772 -11.361 1.00 0.00 H new ATOM 0 HG3 GLN A 31 7.170 19.458 -11.558 1.00 0.00 H new ATOM 0 HE21 GLN A 31 4.134 20.189 -13.219 1.00 0.00 H new ATOM 0 HE22 GLN A 31 4.862 20.658 -14.759 1.00 0.00 H new ATOM 524 N GLU A 32 6.213 14.799 -11.215 1.00 0.00 N ATOM 525 CA GLU A 32 5.861 13.388 -11.209 1.00 0.00 C ATOM 526 C GLU A 32 5.792 12.855 -9.783 1.00 0.00 C ATOM 527 O GLU A 32 4.848 12.158 -9.422 1.00 0.00 O ATOM 528 CB GLU A 32 6.879 12.577 -12.011 1.00 0.00 C ATOM 529 CG GLU A 32 6.765 12.762 -13.512 1.00 0.00 C ATOM 530 CD GLU A 32 5.517 12.121 -14.081 1.00 0.00 C ATOM 531 OE1 GLU A 32 5.540 10.897 -14.341 1.00 0.00 O ATOM 532 OE2 GLU A 32 4.511 12.832 -14.278 1.00 0.00 O ATOM 0 H GLU A 32 7.083 15.013 -11.703 1.00 0.00 H new ATOM 0 HA GLU A 32 4.880 13.286 -11.672 1.00 0.00 H new ATOM 0 HB2 GLU A 32 7.883 12.859 -11.695 1.00 0.00 H new ATOM 0 HB3 GLU A 32 6.755 11.520 -11.774 1.00 0.00 H new ATOM 0 HG2 GLU A 32 6.761 13.827 -13.745 1.00 0.00 H new ATOM 0 HG3 GLU A 32 7.643 12.333 -13.996 1.00 0.00 H new ATOM 539 N LEU A 33 6.791 13.197 -8.975 1.00 0.00 N ATOM 540 CA LEU A 33 6.845 12.744 -7.590 1.00 0.00 C ATOM 541 C LEU A 33 5.617 13.195 -6.808 1.00 0.00 C ATOM 542 O LEU A 33 5.056 12.422 -6.033 1.00 0.00 O ATOM 543 CB LEU A 33 8.119 13.243 -6.907 1.00 0.00 C ATOM 544 CG LEU A 33 9.399 12.512 -7.310 1.00 0.00 C ATOM 545 CD1 LEU A 33 10.603 13.130 -6.622 1.00 0.00 C ATOM 546 CD2 LEU A 33 9.293 11.034 -6.968 1.00 0.00 C ATOM 0 H LEU A 33 7.574 13.787 -9.256 1.00 0.00 H new ATOM 0 HA LEU A 33 6.856 11.654 -7.602 1.00 0.00 H new ATOM 0 HB2 LEU A 33 8.240 14.304 -7.128 1.00 0.00 H new ATOM 0 HB3 LEU A 33 7.993 13.155 -5.828 1.00 0.00 H new ATOM 0 HG LEU A 33 9.530 12.611 -8.388 1.00 0.00 H new ATOM 0 HD11 LEU A 33 11.506 12.597 -6.920 1.00 0.00 H new ATOM 0 HD12 LEU A 33 10.688 14.178 -6.910 1.00 0.00 H new ATOM 0 HD13 LEU A 33 10.480 13.059 -5.541 1.00 0.00 H new ATOM 0 HD21 LEU A 33 10.212 10.526 -7.261 1.00 0.00 H new ATOM 0 HD22 LEU A 33 9.141 10.919 -5.895 1.00 0.00 H new ATOM 0 HD23 LEU A 33 8.450 10.596 -7.503 1.00 0.00 H new ATOM 558 N ALA A 34 5.197 14.440 -7.022 1.00 0.00 N ATOM 559 CA ALA A 34 4.013 14.969 -6.355 1.00 0.00 C ATOM 560 C ALA A 34 2.769 14.197 -6.784 1.00 0.00 C ATOM 561 O ALA A 34 1.956 13.795 -5.947 1.00 0.00 O ATOM 562 CB ALA A 34 3.850 16.455 -6.653 1.00 0.00 C ATOM 0 H ALA A 34 5.658 15.098 -7.650 1.00 0.00 H new ATOM 0 HA ALA A 34 4.140 14.847 -5.279 1.00 0.00 H new ATOM 0 HB1 ALA A 34 2.961 16.832 -6.147 1.00 0.00 H new ATOM 0 HB2 ALA A 34 4.727 16.996 -6.297 1.00 0.00 H new ATOM 0 HB3 ALA A 34 3.745 16.601 -7.728 1.00 0.00 H new ATOM 568 N ARG A 35 2.640 13.971 -8.089 1.00 0.00 N ATOM 569 CA ARG A 35 1.542 13.210 -8.637 1.00 0.00 C ATOM 570 C ARG A 35 1.528 11.789 -8.080 1.00 0.00 C ATOM 571 O ARG A 35 0.493 11.308 -7.614 1.00 0.00 O ATOM 572 CB ARG A 35 1.674 13.166 -10.155 1.00 0.00 C ATOM 573 CG ARG A 35 0.595 12.349 -10.806 1.00 0.00 C ATOM 574 CD ARG A 35 0.753 12.273 -12.316 1.00 0.00 C ATOM 575 NE ARG A 35 0.370 13.519 -12.975 1.00 0.00 N ATOM 576 CZ ARG A 35 -0.859 13.761 -13.432 1.00 0.00 C ATOM 577 NH1 ARG A 35 -1.822 12.864 -13.253 1.00 0.00 N ATOM 578 NH2 ARG A 35 -1.125 14.891 -14.072 1.00 0.00 N ATOM 0 H ARG A 35 3.298 14.314 -8.789 1.00 0.00 H new ATOM 0 HA ARG A 35 0.606 13.693 -8.356 1.00 0.00 H new ATOM 0 HB2 ARG A 35 1.642 14.182 -10.548 1.00 0.00 H new ATOM 0 HB3 ARG A 35 2.647 12.752 -10.419 1.00 0.00 H new ATOM 0 HG2 ARG A 35 0.607 11.341 -10.392 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -0.377 12.780 -10.567 1.00 0.00 H new ATOM 0 HD2 ARG A 35 1.789 12.039 -12.560 1.00 0.00 H new ATOM 0 HD3 ARG A 35 0.142 11.457 -12.703 1.00 0.00 H new ATOM 0 HE ARG A 35 1.080 14.242 -13.092 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -1.621 11.990 -12.766 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -2.762 13.049 -13.602 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -0.388 15.581 -14.217 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -2.067 15.071 -14.419 1.00 0.00 H new ATOM 592 N LEU A 36 2.682 11.135 -8.119 1.00 0.00 N ATOM 593 CA LEU A 36 2.807 9.760 -7.657 1.00 0.00 C ATOM 594 C LEU A 36 2.494 9.661 -6.173 1.00 0.00 C ATOM 595 O LEU A 36 1.788 8.755 -5.744 1.00 0.00 O ATOM 596 CB LEU A 36 4.212 9.227 -7.939 1.00 0.00 C ATOM 597 CG LEU A 36 4.591 9.147 -9.420 1.00 0.00 C ATOM 598 CD1 LEU A 36 6.045 8.735 -9.579 1.00 0.00 C ATOM 599 CD2 LEU A 36 3.681 8.173 -10.155 1.00 0.00 C ATOM 0 H LEU A 36 3.551 11.539 -8.469 1.00 0.00 H new ATOM 0 HA LEU A 36 2.087 9.150 -8.202 1.00 0.00 H new ATOM 0 HB2 LEU A 36 4.935 9.864 -7.429 1.00 0.00 H new ATOM 0 HB3 LEU A 36 4.301 8.232 -7.503 1.00 0.00 H new ATOM 0 HG LEU A 36 4.463 10.137 -9.858 1.00 0.00 H new ATOM 0 HD11 LEU A 36 6.295 8.684 -10.639 1.00 0.00 H new ATOM 0 HD12 LEU A 36 6.686 9.468 -9.090 1.00 0.00 H new ATOM 0 HD13 LEU A 36 6.198 7.757 -9.123 1.00 0.00 H new ATOM 0 HD21 LEU A 36 3.967 8.131 -11.206 1.00 0.00 H new ATOM 0 HD22 LEU A 36 3.776 7.181 -9.713 1.00 0.00 H new ATOM 0 HD23 LEU A 36 2.647 8.509 -10.073 1.00 0.00 H new ATOM 611 N ASN A 37 3.008 10.614 -5.401 1.00 0.00 N ATOM 612 CA ASN A 37 2.756 10.663 -3.964 1.00 0.00 C ATOM 613 C ASN A 37 1.256 10.694 -3.695 1.00 0.00 C ATOM 614 O ASN A 37 0.741 9.917 -2.891 1.00 0.00 O ATOM 615 CB ASN A 37 3.420 11.900 -3.350 1.00 0.00 C ATOM 616 CG ASN A 37 3.200 12.006 -1.852 1.00 0.00 C ATOM 617 OD1 ASN A 37 2.194 12.547 -1.399 1.00 0.00 O ATOM 618 ND2 ASN A 37 4.154 11.519 -1.072 1.00 0.00 N ATOM 0 H ASN A 37 3.604 11.366 -5.748 1.00 0.00 H new ATOM 0 HA ASN A 37 3.181 9.770 -3.506 1.00 0.00 H new ATOM 0 HB2 ASN A 37 4.490 11.870 -3.554 1.00 0.00 H new ATOM 0 HB3 ASN A 37 3.028 12.795 -3.834 1.00 0.00 H new ATOM 0 HD21 ASN A 37 4.068 11.586 -0.058 1.00 0.00 H new ATOM 0 HD22 ASN A 37 4.975 11.077 -1.486 1.00 0.00 H new ATOM 625 N GLN A 38 0.565 11.582 -4.399 1.00 0.00 N ATOM 626 CA GLN A 38 -0.877 11.734 -4.257 1.00 0.00 C ATOM 627 C GLN A 38 -1.606 10.452 -4.659 1.00 0.00 C ATOM 628 O GLN A 38 -2.465 9.958 -3.926 1.00 0.00 O ATOM 629 CB GLN A 38 -1.361 12.915 -5.109 1.00 0.00 C ATOM 630 CG GLN A 38 -2.005 14.038 -4.305 1.00 0.00 C ATOM 631 CD GLN A 38 -3.369 13.670 -3.742 1.00 0.00 C ATOM 632 OE1 GLN A 38 -3.654 12.509 -3.461 1.00 0.00 O ATOM 633 NE2 GLN A 38 -4.228 14.660 -3.577 1.00 0.00 N ATOM 0 H GLN A 38 0.986 12.214 -5.081 1.00 0.00 H new ATOM 0 HA GLN A 38 -1.103 11.932 -3.209 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -0.515 13.319 -5.665 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -2.079 12.550 -5.843 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -1.343 14.313 -3.484 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -2.107 14.918 -4.940 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -3.960 15.614 -3.820 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -5.159 14.471 -3.206 1.00 0.00 H new ATOM 642 N GLU A 39 -1.248 9.899 -5.812 1.00 0.00 N ATOM 643 CA GLU A 39 -1.922 8.712 -6.323 1.00 0.00 C ATOM 644 C GLU A 39 -1.682 7.504 -5.421 1.00 0.00 C ATOM 645 O GLU A 39 -2.553 6.644 -5.285 1.00 0.00 O ATOM 646 CB GLU A 39 -1.487 8.416 -7.757 1.00 0.00 C ATOM 647 CG GLU A 39 -1.957 9.468 -8.745 1.00 0.00 C ATOM 648 CD GLU A 39 -1.709 9.078 -10.185 1.00 0.00 C ATOM 649 OE1 GLU A 39 -2.444 8.214 -10.704 1.00 0.00 O ATOM 650 OE2 GLU A 39 -0.801 9.650 -10.815 1.00 0.00 O ATOM 0 H GLU A 39 -0.499 10.251 -6.408 1.00 0.00 H new ATOM 0 HA GLU A 39 -2.993 8.914 -6.326 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -0.400 8.349 -7.795 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -1.877 7.443 -8.056 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -3.023 9.644 -8.600 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -1.447 10.409 -8.536 1.00 0.00 H new ATOM 657 N ILE A 40 -0.512 7.443 -4.794 1.00 0.00 N ATOM 658 CA ILE A 40 -0.236 6.396 -3.816 1.00 0.00 C ATOM 659 C ILE A 40 -1.203 6.516 -2.642 1.00 0.00 C ATOM 660 O ILE A 40 -1.852 5.544 -2.262 1.00 0.00 O ATOM 661 CB ILE A 40 1.220 6.449 -3.294 1.00 0.00 C ATOM 662 CG1 ILE A 40 2.201 6.110 -4.418 1.00 0.00 C ATOM 663 CG2 ILE A 40 1.412 5.496 -2.120 1.00 0.00 C ATOM 664 CD1 ILE A 40 3.657 6.235 -4.019 1.00 0.00 C ATOM 0 H ILE A 40 0.254 8.099 -4.943 1.00 0.00 H new ATOM 0 HA ILE A 40 -0.372 5.439 -4.319 1.00 0.00 H new ATOM 0 HB ILE A 40 1.420 7.463 -2.947 1.00 0.00 H new ATOM 0 HG12 ILE A 40 2.013 5.091 -4.756 1.00 0.00 H new ATOM 0 HG13 ILE A 40 2.009 6.768 -5.266 1.00 0.00 H new ATOM 0 HG21 ILE A 40 2.443 5.552 -1.771 1.00 0.00 H new ATOM 0 HG22 ILE A 40 0.739 5.777 -1.310 1.00 0.00 H new ATOM 0 HG23 ILE A 40 1.191 4.477 -2.438 1.00 0.00 H new ATOM 0 HD11 ILE A 40 4.290 5.979 -4.868 1.00 0.00 H new ATOM 0 HD12 ILE A 40 3.863 7.260 -3.709 1.00 0.00 H new ATOM 0 HD13 ILE A 40 3.867 5.557 -3.192 1.00 0.00 H new ATOM 676 N VAL A 41 -1.323 7.727 -2.104 1.00 0.00 N ATOM 677 CA VAL A 41 -2.224 7.989 -0.986 1.00 0.00 C ATOM 678 C VAL A 41 -3.660 7.609 -1.348 1.00 0.00 C ATOM 679 O VAL A 41 -4.383 7.031 -0.533 1.00 0.00 O ATOM 680 CB VAL A 41 -2.175 9.472 -0.551 1.00 0.00 C ATOM 681 CG1 VAL A 41 -3.163 9.748 0.575 1.00 0.00 C ATOM 682 CG2 VAL A 41 -0.767 9.859 -0.124 1.00 0.00 C ATOM 0 H VAL A 41 -0.805 8.545 -2.426 1.00 0.00 H new ATOM 0 HA VAL A 41 -1.888 7.374 -0.151 1.00 0.00 H new ATOM 0 HB VAL A 41 -2.460 10.080 -1.409 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -3.106 10.799 0.860 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -4.173 9.518 0.237 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -2.918 9.125 1.435 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -0.753 10.906 0.178 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -0.457 9.235 0.714 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -0.081 9.713 -0.958 1.00 0.00 H new ATOM 692 N LYS A 42 -4.057 7.925 -2.579 1.00 0.00 N ATOM 693 CA LYS A 42 -5.384 7.571 -3.075 1.00 0.00 C ATOM 694 C LYS A 42 -5.598 6.060 -3.040 1.00 0.00 C ATOM 695 O LYS A 42 -6.643 5.580 -2.596 1.00 0.00 O ATOM 696 CB LYS A 42 -5.577 8.079 -4.507 1.00 0.00 C ATOM 697 CG LYS A 42 -5.581 9.592 -4.637 1.00 0.00 C ATOM 698 CD LYS A 42 -6.702 10.220 -3.825 1.00 0.00 C ATOM 699 CE LYS A 42 -6.887 11.684 -4.185 1.00 0.00 C ATOM 700 NZ LYS A 42 -7.266 11.850 -5.612 1.00 0.00 N ATOM 0 H LYS A 42 -3.477 8.426 -3.252 1.00 0.00 H new ATOM 0 HA LYS A 42 -6.117 8.045 -2.422 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -4.783 7.674 -5.134 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -6.519 7.690 -4.894 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -4.622 9.989 -4.303 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -5.692 9.867 -5.686 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -7.631 9.679 -4.003 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -6.479 10.129 -2.762 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -7.657 12.122 -3.550 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -5.963 12.228 -3.987 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -8.079 12.495 -5.683 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -6.463 12.246 -6.141 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -7.522 10.925 -6.013 1.00 0.00 H new ATOM 714 N ALA A 43 -4.599 5.319 -3.507 1.00 0.00 N ATOM 715 CA ALA A 43 -4.675 3.865 -3.554 1.00 0.00 C ATOM 716 C ALA A 43 -4.681 3.273 -2.149 1.00 0.00 C ATOM 717 O ALA A 43 -5.515 2.421 -1.830 1.00 0.00 O ATOM 718 CB ALA A 43 -3.516 3.302 -4.364 1.00 0.00 C ATOM 0 H ALA A 43 -3.723 5.705 -3.860 1.00 0.00 H new ATOM 0 HA ALA A 43 -5.610 3.588 -4.041 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -3.585 2.215 -4.391 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -3.558 3.694 -5.380 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -2.573 3.594 -3.902 1.00 0.00 H new ATOM 724 N GLU A 44 -3.766 3.749 -1.309 1.00 0.00 N ATOM 725 CA GLU A 44 -3.661 3.275 0.065 1.00 0.00 C ATOM 726 C GLU A 44 -4.972 3.511 0.819 1.00 0.00 C ATOM 727 O GLU A 44 -5.496 2.606 1.465 1.00 0.00 O ATOM 728 CB GLU A 44 -2.517 3.992 0.786 1.00 0.00 C ATOM 729 CG GLU A 44 -1.165 3.869 0.092 1.00 0.00 C ATOM 730 CD GLU A 44 -0.576 2.477 0.167 1.00 0.00 C ATOM 731 OE1 GLU A 44 -1.021 1.588 -0.568 1.00 0.00 O ATOM 732 OE2 GLU A 44 0.354 2.261 0.977 1.00 0.00 O ATOM 0 H GLU A 44 -3.085 4.466 -1.559 1.00 0.00 H new ATOM 0 HA GLU A 44 -3.456 2.205 0.042 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -2.769 5.048 0.882 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -2.432 3.592 1.796 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -1.275 4.153 -0.955 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -0.468 4.575 0.543 1.00 0.00 H new ATOM 739 N LYS A 45 -5.519 4.719 0.697 1.00 0.00 N ATOM 740 CA LYS A 45 -6.764 5.070 1.381 1.00 0.00 C ATOM 741 C LYS A 45 -7.938 4.258 0.850 1.00 0.00 C ATOM 742 O LYS A 45 -8.825 3.869 1.612 1.00 0.00 O ATOM 743 CB LYS A 45 -7.065 6.565 1.242 1.00 0.00 C ATOM 744 CG LYS A 45 -6.711 7.379 2.472 1.00 0.00 C ATOM 745 CD LYS A 45 -7.520 6.925 3.673 1.00 0.00 C ATOM 746 CE LYS A 45 -7.231 7.762 4.909 1.00 0.00 C ATOM 747 NZ LYS A 45 -5.815 7.652 5.344 1.00 0.00 N ATOM 0 H LYS A 45 -5.122 5.470 0.133 1.00 0.00 H new ATOM 0 HA LYS A 45 -6.628 4.833 2.436 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -6.515 6.959 0.387 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -8.126 6.694 1.026 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -5.647 7.278 2.686 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -6.899 8.435 2.280 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -8.582 6.984 3.437 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -7.298 5.879 3.884 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -7.465 8.806 4.701 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -7.884 7.444 5.722 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -5.706 8.082 6.285 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -5.542 6.649 5.388 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -5.203 8.147 4.664 1.00 0.00 H new ATOM 761 N GLN A 46 -7.940 4.008 -0.455 1.00 0.00 N ATOM 762 CA GLN A 46 -8.979 3.195 -1.073 1.00 0.00 C ATOM 763 C GLN A 46 -8.960 1.799 -0.471 1.00 0.00 C ATOM 764 O GLN A 46 -10.008 1.220 -0.172 1.00 0.00 O ATOM 765 CB GLN A 46 -8.765 3.120 -2.587 1.00 0.00 C ATOM 766 CG GLN A 46 -9.882 2.419 -3.344 1.00 0.00 C ATOM 767 CD GLN A 46 -11.217 3.126 -3.208 1.00 0.00 C ATOM 768 OE1 GLN A 46 -11.537 4.029 -3.984 1.00 0.00 O ATOM 769 NE2 GLN A 46 -12.007 2.716 -2.228 1.00 0.00 N ATOM 0 H GLN A 46 -7.234 4.357 -1.104 1.00 0.00 H new ATOM 0 HA GLN A 46 -9.949 3.654 -0.884 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -8.657 4.132 -2.977 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -7.827 2.601 -2.784 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -9.616 2.355 -4.399 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -9.978 1.397 -2.977 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -11.703 1.965 -1.608 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -12.920 3.151 -2.093 1.00 0.00 H new ATOM 778 N GLY A 47 -7.754 1.279 -0.277 1.00 0.00 N ATOM 779 CA GLY A 47 -7.594 -0.012 0.350 1.00 0.00 C ATOM 780 C GLY A 47 -7.976 0.018 1.817 1.00 0.00 C ATOM 781 O GLY A 47 -8.735 -0.830 2.277 1.00 0.00 O ATOM 0 H GLY A 47 -6.882 1.734 -0.546 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -8.209 -0.746 -0.170 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -6.558 -0.337 0.252 1.00 0.00 H new ATOM 785 N VAL A 48 -7.482 1.013 2.543 1.00 0.00 N ATOM 786 CA VAL A 48 -7.781 1.154 3.966 1.00 0.00 C ATOM 787 C VAL A 48 -9.290 1.159 4.216 1.00 0.00 C ATOM 788 O VAL A 48 -9.774 0.508 5.142 1.00 0.00 O ATOM 789 CB VAL A 48 -7.154 2.441 4.559 1.00 0.00 C ATOM 790 CG1 VAL A 48 -7.644 2.694 5.979 1.00 0.00 C ATOM 791 CG2 VAL A 48 -5.635 2.349 4.536 1.00 0.00 C ATOM 0 H VAL A 48 -6.870 1.738 2.169 1.00 0.00 H new ATOM 0 HA VAL A 48 -7.340 0.292 4.466 1.00 0.00 H new ATOM 0 HB VAL A 48 -7.469 3.281 3.940 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -7.185 3.604 6.366 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -8.728 2.808 5.975 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -7.370 1.852 6.614 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -5.209 3.260 4.956 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -5.313 1.492 5.128 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -5.293 2.229 3.508 1.00 0.00 H new ATOM 801 N LYS A 49 -10.031 1.866 3.374 1.00 0.00 N ATOM 802 CA LYS A 49 -11.475 1.962 3.541 1.00 0.00 C ATOM 803 C LYS A 49 -12.150 0.607 3.329 1.00 0.00 C ATOM 804 O LYS A 49 -12.993 0.201 4.131 1.00 0.00 O ATOM 805 CB LYS A 49 -12.064 3.007 2.589 1.00 0.00 C ATOM 806 CG LYS A 49 -13.542 3.282 2.831 1.00 0.00 C ATOM 807 CD LYS A 49 -14.036 4.473 2.022 1.00 0.00 C ATOM 808 CE LYS A 49 -15.501 4.771 2.313 1.00 0.00 C ATOM 809 NZ LYS A 49 -15.961 6.024 1.656 1.00 0.00 N ATOM 0 H LYS A 49 -9.660 2.378 2.574 1.00 0.00 H new ATOM 0 HA LYS A 49 -11.668 2.278 4.566 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -11.507 3.938 2.694 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -11.929 2.669 1.562 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -14.124 2.398 2.569 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -13.708 3.469 3.892 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -13.431 5.349 2.255 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -13.908 4.271 0.959 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -16.114 3.937 1.971 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -15.646 4.853 3.390 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -16.963 6.187 1.882 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -15.394 6.825 2.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -15.848 5.938 0.626 1.00 0.00 H new ATOM 823 N VAL A 50 -11.782 -0.096 2.262 1.00 0.00 N ATOM 824 CA VAL A 50 -12.385 -1.391 1.976 1.00 0.00 C ATOM 825 C VAL A 50 -11.934 -2.453 2.984 1.00 0.00 C ATOM 826 O VAL A 50 -12.698 -3.358 3.323 1.00 0.00 O ATOM 827 CB VAL A 50 -12.112 -1.867 0.528 1.00 0.00 C ATOM 828 CG1 VAL A 50 -12.777 -0.935 -0.473 1.00 0.00 C ATOM 829 CG2 VAL A 50 -10.623 -1.971 0.241 1.00 0.00 C ATOM 0 H VAL A 50 -11.077 0.206 1.589 1.00 0.00 H new ATOM 0 HA VAL A 50 -13.462 -1.255 2.074 1.00 0.00 H new ATOM 0 HB VAL A 50 -12.540 -2.864 0.425 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -12.575 -1.284 -1.485 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -13.853 -0.924 -0.301 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -12.380 0.073 -0.351 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -10.473 -2.308 -0.785 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -10.158 -0.994 0.374 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -10.169 -2.686 0.928 1.00 0.00 H new ATOM 839 N TYR A 51 -10.698 -2.335 3.475 1.00 0.00 N ATOM 840 CA TYR A 51 -10.216 -3.220 4.531 1.00 0.00 C ATOM 841 C TYR A 51 -11.008 -2.997 5.811 1.00 0.00 C ATOM 842 O TYR A 51 -11.399 -3.950 6.483 1.00 0.00 O ATOM 843 CB TYR A 51 -8.718 -3.017 4.801 1.00 0.00 C ATOM 844 CG TYR A 51 -7.804 -3.729 3.821 1.00 0.00 C ATOM 845 CD1 TYR A 51 -7.765 -5.116 3.763 1.00 0.00 C ATOM 846 CD2 TYR A 51 -6.981 -3.016 2.961 1.00 0.00 C ATOM 847 CE1 TYR A 51 -6.933 -5.771 2.874 1.00 0.00 C ATOM 848 CE2 TYR A 51 -6.148 -3.663 2.069 1.00 0.00 C ATOM 849 CZ TYR A 51 -6.128 -5.038 2.028 1.00 0.00 C ATOM 850 OH TYR A 51 -5.302 -5.684 1.141 1.00 0.00 O ATOM 0 H TYR A 51 -10.020 -1.641 3.160 1.00 0.00 H new ATOM 0 HA TYR A 51 -10.361 -4.245 4.191 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -8.498 -1.950 4.775 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -8.492 -3.365 5.809 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -8.395 -5.693 4.424 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -6.992 -1.936 2.990 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -6.914 -6.850 2.842 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -5.515 -3.092 1.406 1.00 0.00 H new ATOM 0 HH TYR A 51 -5.704 -6.540 0.884 1.00 0.00 H new ATOM 860 N LYS A 52 -11.256 -1.731 6.135 1.00 0.00 N ATOM 861 CA LYS A 52 -12.054 -1.378 7.302 1.00 0.00 C ATOM 862 C LYS A 52 -13.453 -1.974 7.208 1.00 0.00 C ATOM 863 O LYS A 52 -13.981 -2.491 8.193 1.00 0.00 O ATOM 864 CB LYS A 52 -12.146 0.143 7.454 1.00 0.00 C ATOM 865 CG LYS A 52 -10.934 0.771 8.122 1.00 0.00 C ATOM 866 CD LYS A 52 -11.186 2.230 8.472 1.00 0.00 C ATOM 867 CE LYS A 52 -11.268 3.108 7.232 1.00 0.00 C ATOM 868 NZ LYS A 52 -11.733 4.482 7.557 1.00 0.00 N ATOM 0 H LYS A 52 -10.914 -0.931 5.603 1.00 0.00 H new ATOM 0 HA LYS A 52 -11.559 -1.792 8.180 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -12.277 0.589 6.468 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -13.035 0.387 8.035 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -10.687 0.216 9.027 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -10.072 0.698 7.458 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -12.115 2.312 9.036 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -10.387 2.591 9.119 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -10.288 3.159 6.757 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -11.948 2.655 6.511 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -11.776 5.049 6.686 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -12.679 4.436 7.987 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -11.070 4.924 8.226 1.00 0.00 H new ATOM 882 N GLU A 53 -14.040 -1.903 6.017 1.00 0.00 N ATOM 883 CA GLU A 53 -15.371 -2.449 5.775 1.00 0.00 C ATOM 884 C GLU A 53 -15.396 -3.949 6.063 1.00 0.00 C ATOM 885 O GLU A 53 -16.295 -4.450 6.742 1.00 0.00 O ATOM 886 CB GLU A 53 -15.791 -2.184 4.325 1.00 0.00 C ATOM 887 CG GLU A 53 -17.204 -2.642 3.998 1.00 0.00 C ATOM 888 CD GLU A 53 -17.564 -2.427 2.542 1.00 0.00 C ATOM 889 OE1 GLU A 53 -17.745 -1.259 2.135 1.00 0.00 O ATOM 890 OE2 GLU A 53 -17.668 -3.423 1.793 1.00 0.00 O ATOM 0 H GLU A 53 -13.611 -1.469 5.199 1.00 0.00 H new ATOM 0 HA GLU A 53 -16.076 -1.957 6.445 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -15.710 -1.116 4.123 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -15.093 -2.688 3.657 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -17.304 -3.700 4.241 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -17.912 -2.102 4.627 1.00 0.00 H new ATOM 897 N ALA A 54 -14.399 -4.655 5.547 1.00 0.00 N ATOM 898 CA ALA A 54 -14.316 -6.098 5.710 1.00 0.00 C ATOM 899 C ALA A 54 -13.945 -6.490 7.137 1.00 0.00 C ATOM 900 O ALA A 54 -14.392 -7.517 7.638 1.00 0.00 O ATOM 901 CB ALA A 54 -13.314 -6.680 4.723 1.00 0.00 C ATOM 0 H ALA A 54 -13.633 -4.248 5.010 1.00 0.00 H new ATOM 0 HA ALA A 54 -15.304 -6.511 5.505 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -13.260 -7.761 4.854 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -13.632 -6.453 3.705 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -12.331 -6.243 4.902 1.00 0.00 H new ATOM 907 N ALA A 55 -13.137 -5.665 7.789 1.00 0.00 N ATOM 908 CA ALA A 55 -12.633 -5.972 9.125 1.00 0.00 C ATOM 909 C ALA A 55 -13.763 -6.113 10.142 1.00 0.00 C ATOM 910 O ALA A 55 -13.812 -7.082 10.900 1.00 0.00 O ATOM 911 CB ALA A 55 -11.650 -4.904 9.581 1.00 0.00 C ATOM 0 H ALA A 55 -12.814 -4.773 7.414 1.00 0.00 H new ATOM 0 HA ALA A 55 -12.119 -6.931 9.065 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -11.284 -5.148 10.578 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -10.811 -4.862 8.887 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -12.150 -3.936 9.605 1.00 0.00 H new ATOM 917 N GLU A 56 -14.684 -5.162 10.143 1.00 0.00 N ATOM 918 CA GLU A 56 -15.767 -5.155 11.123 1.00 0.00 C ATOM 919 C GLU A 56 -16.953 -6.001 10.663 1.00 0.00 C ATOM 920 O GLU A 56 -18.007 -6.013 11.302 1.00 0.00 O ATOM 921 CB GLU A 56 -16.211 -3.720 11.409 1.00 0.00 C ATOM 922 CG GLU A 56 -16.525 -2.912 10.162 1.00 0.00 C ATOM 923 CD GLU A 56 -16.911 -1.485 10.482 1.00 0.00 C ATOM 924 OE1 GLU A 56 -16.077 -0.758 11.061 1.00 0.00 O ATOM 925 OE2 GLU A 56 -18.054 -1.083 10.166 1.00 0.00 O ATOM 0 H GLU A 56 -14.707 -4.387 9.481 1.00 0.00 H new ATOM 0 HA GLU A 56 -15.386 -5.600 12.042 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -17.095 -3.744 12.046 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -15.427 -3.213 11.971 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -15.656 -2.912 9.504 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -17.338 -3.392 9.616 1.00 0.00 H new ATOM 932 N LYS A 57 -16.770 -6.725 9.567 1.00 0.00 N ATOM 933 CA LYS A 57 -17.830 -7.557 9.017 1.00 0.00 C ATOM 934 C LYS A 57 -17.246 -8.885 8.534 1.00 0.00 C ATOM 935 O LYS A 57 -17.825 -9.567 7.689 1.00 0.00 O ATOM 936 CB LYS A 57 -18.512 -6.817 7.862 1.00 0.00 C ATOM 937 CG LYS A 57 -19.964 -7.208 7.652 1.00 0.00 C ATOM 938 CD LYS A 57 -20.595 -6.402 6.530 1.00 0.00 C ATOM 939 CE LYS A 57 -22.108 -6.532 6.536 1.00 0.00 C ATOM 940 NZ LYS A 57 -22.564 -7.931 6.312 1.00 0.00 N ATOM 0 H LYS A 57 -15.896 -6.752 9.041 1.00 0.00 H new ATOM 0 HA LYS A 57 -18.571 -7.765 9.788 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -18.458 -5.744 8.049 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -17.958 -7.009 6.943 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -20.027 -8.271 7.419 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -20.523 -7.050 8.575 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -20.318 -5.353 6.634 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -20.203 -6.742 5.571 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -22.496 -6.176 7.491 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -22.527 -5.889 5.762 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -23.601 -7.951 6.241 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -22.149 -8.294 5.430 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -22.260 -8.527 7.108 1.00 0.00 H new ATOM 954 N ALA A 58 -16.101 -9.252 9.099 1.00 0.00 N ATOM 955 CA ALA A 58 -15.363 -10.436 8.664 1.00 0.00 C ATOM 956 C ALA A 58 -16.079 -11.731 9.042 1.00 0.00 C ATOM 957 O ALA A 58 -16.865 -11.770 9.990 1.00 0.00 O ATOM 958 CB ALA A 58 -13.959 -10.420 9.251 1.00 0.00 C ATOM 0 H ALA A 58 -15.660 -8.743 9.865 1.00 0.00 H new ATOM 0 HA ALA A 58 -15.303 -10.404 7.576 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -13.417 -11.306 8.921 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -13.434 -9.527 8.913 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -14.020 -10.416 10.339 1.00 0.00 H new ATOM 964 N ARG A 59 -15.789 -12.791 8.293 1.00 0.00 N ATOM 965 CA ARG A 59 -16.392 -14.100 8.535 1.00 0.00 C ATOM 966 C ARG A 59 -15.502 -14.950 9.437 1.00 0.00 C ATOM 967 O ARG A 59 -15.863 -16.070 9.807 1.00 0.00 O ATOM 968 CB ARG A 59 -16.624 -14.843 7.217 1.00 0.00 C ATOM 969 CG ARG A 59 -17.543 -14.123 6.241 1.00 0.00 C ATOM 970 CD ARG A 59 -17.812 -14.983 5.016 1.00 0.00 C ATOM 971 NE ARG A 59 -18.656 -14.312 4.025 1.00 0.00 N ATOM 972 CZ ARG A 59 -19.588 -14.932 3.303 1.00 0.00 C ATOM 973 NH1 ARG A 59 -19.852 -16.219 3.505 1.00 0.00 N ATOM 974 NH2 ARG A 59 -20.263 -14.261 2.383 1.00 0.00 N ATOM 0 H ARG A 59 -15.137 -12.769 7.509 1.00 0.00 H new ATOM 0 HA ARG A 59 -17.349 -13.934 9.029 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -15.661 -15.010 6.734 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -17.045 -15.824 7.437 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -18.484 -13.879 6.733 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -17.089 -13.180 5.936 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -16.863 -15.255 4.554 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -18.293 -15.910 5.327 1.00 0.00 H new ATOM 0 HE ARG A 59 -18.522 -13.311 3.879 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -19.339 -16.739 4.217 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -20.567 -16.686 2.948 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -20.069 -13.272 2.228 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -20.977 -14.733 1.829 1.00 0.00 H new ATOM 988 N ASN A 60 -14.333 -14.422 9.774 1.00 0.00 N ATOM 989 CA ASN A 60 -13.374 -15.146 10.601 1.00 0.00 C ATOM 990 C ASN A 60 -12.480 -14.171 11.364 1.00 0.00 C ATOM 991 O ASN A 60 -11.736 -13.402 10.755 1.00 0.00 O ATOM 992 CB ASN A 60 -12.503 -16.068 9.740 1.00 0.00 C ATOM 993 CG ASN A 60 -11.533 -16.895 10.570 1.00 0.00 C ATOM 994 OD1 ASN A 60 -10.376 -17.076 10.193 1.00 0.00 O ATOM 995 ND2 ASN A 60 -12.003 -17.438 11.682 1.00 0.00 N ATOM 0 H ASN A 60 -14.024 -13.493 9.487 1.00 0.00 H new ATOM 0 HA ASN A 60 -13.936 -15.750 11.313 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -13.144 -16.735 9.165 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -11.943 -15.468 9.023 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -11.400 -18.028 12.256 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -12.968 -17.267 11.965 1.00 0.00 H new ATOM 1002 N PRO A 61 -12.552 -14.186 12.703 1.00 0.00 N ATOM 1003 CA PRO A 61 -11.745 -13.306 13.562 1.00 0.00 C ATOM 1004 C PRO A 61 -10.239 -13.448 13.327 1.00 0.00 C ATOM 1005 O PRO A 61 -9.520 -12.448 13.257 1.00 0.00 O ATOM 1006 CB PRO A 61 -12.103 -13.759 14.981 1.00 0.00 C ATOM 1007 CG PRO A 61 -13.439 -14.402 14.850 1.00 0.00 C ATOM 1008 CD PRO A 61 -13.445 -15.052 13.497 1.00 0.00 C ATOM 0 HA PRO A 61 -11.959 -12.256 13.361 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -11.364 -14.459 15.371 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -12.136 -12.914 15.669 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -13.599 -15.137 15.639 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -14.238 -13.666 14.934 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -13.077 -16.077 13.541 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -14.449 -15.091 13.074 1.00 0.00 H new ATOM 1016 N GLU A 62 -9.763 -14.688 13.215 1.00 0.00 N ATOM 1017 CA GLU A 62 -8.342 -14.948 12.997 1.00 0.00 C ATOM 1018 C GLU A 62 -7.857 -14.323 11.695 1.00 0.00 C ATOM 1019 O GLU A 62 -6.784 -13.718 11.649 1.00 0.00 O ATOM 1020 CB GLU A 62 -8.043 -16.452 12.990 1.00 0.00 C ATOM 1021 CG GLU A 62 -8.285 -17.136 14.327 1.00 0.00 C ATOM 1022 CD GLU A 62 -9.686 -17.689 14.467 1.00 0.00 C ATOM 1023 OE1 GLU A 62 -10.658 -16.968 14.162 1.00 0.00 O ATOM 1024 OE2 GLU A 62 -9.827 -18.852 14.899 1.00 0.00 O ATOM 0 H GLU A 62 -10.341 -15.527 13.272 1.00 0.00 H new ATOM 0 HA GLU A 62 -7.805 -14.489 13.827 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -8.661 -16.932 12.231 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -7.004 -16.604 12.698 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -7.567 -17.947 14.448 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -8.100 -16.424 15.131 1.00 0.00 H new ATOM 1031 N LYS A 63 -8.647 -14.461 10.638 1.00 0.00 N ATOM 1032 CA LYS A 63 -8.281 -13.887 9.353 1.00 0.00 C ATOM 1033 C LYS A 63 -8.454 -12.369 9.384 1.00 0.00 C ATOM 1034 O LYS A 63 -7.755 -11.642 8.682 1.00 0.00 O ATOM 1035 CB LYS A 63 -9.107 -14.501 8.218 1.00 0.00 C ATOM 1036 CG LYS A 63 -8.572 -14.176 6.829 1.00 0.00 C ATOM 1037 CD LYS A 63 -7.168 -14.739 6.623 1.00 0.00 C ATOM 1038 CE LYS A 63 -6.629 -14.418 5.235 1.00 0.00 C ATOM 1039 NZ LYS A 63 -5.293 -15.032 4.997 1.00 0.00 N ATOM 0 H LYS A 63 -9.536 -14.960 10.645 1.00 0.00 H new ATOM 0 HA LYS A 63 -7.232 -14.117 9.164 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -9.134 -15.583 8.344 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -10.135 -14.146 8.295 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -9.244 -14.586 6.075 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -8.556 -13.095 6.688 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -6.497 -14.328 7.378 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -7.185 -15.819 6.766 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -7.331 -14.776 4.482 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -6.557 -13.337 5.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -4.625 -14.299 4.683 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -4.946 -15.461 5.879 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -5.373 -15.765 4.263 1.00 0.00 H new ATOM 1053 N ARG A 64 -9.385 -11.894 10.208 1.00 0.00 N ATOM 1054 CA ARG A 64 -9.586 -10.460 10.376 1.00 0.00 C ATOM 1055 C ARG A 64 -8.367 -9.825 11.034 1.00 0.00 C ATOM 1056 O ARG A 64 -7.981 -8.714 10.691 1.00 0.00 O ATOM 1057 CB ARG A 64 -10.822 -10.155 11.221 1.00 0.00 C ATOM 1058 CG ARG A 64 -11.045 -8.661 11.385 1.00 0.00 C ATOM 1059 CD ARG A 64 -11.577 -8.306 12.760 1.00 0.00 C ATOM 1060 NE ARG A 64 -10.976 -7.062 13.234 1.00 0.00 N ATOM 1061 CZ ARG A 64 -11.655 -6.010 13.687 1.00 0.00 C ATOM 1062 NH1 ARG A 64 -12.980 -6.037 13.732 1.00 0.00 N ATOM 1063 NH2 ARG A 64 -10.998 -4.927 14.080 1.00 0.00 N ATOM 0 H ARG A 64 -10.008 -12.478 10.766 1.00 0.00 H new ATOM 0 HA ARG A 64 -9.733 -10.040 9.381 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -11.699 -10.603 10.755 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -10.712 -10.615 12.203 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -10.106 -8.135 11.214 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -11.747 -8.315 10.626 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -12.661 -8.202 12.721 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -11.359 -9.112 13.460 1.00 0.00 H new ATOM 0 HE ARG A 64 -9.958 -6.994 13.217 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -13.484 -6.867 13.419 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -13.495 -5.228 14.080 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -9.979 -4.904 14.034 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -11.511 -4.117 14.428 1.00 0.00 H new ATOM 1077 N GLN A 65 -7.765 -10.540 11.980 1.00 0.00 N ATOM 1078 CA GLN A 65 -6.575 -10.071 12.664 1.00 0.00 C ATOM 1079 C GLN A 65 -5.450 -9.841 11.664 1.00 0.00 C ATOM 1080 O GLN A 65 -4.592 -8.979 11.861 1.00 0.00 O ATOM 1081 CB GLN A 65 -6.155 -11.081 13.726 1.00 0.00 C ATOM 1082 CG GLN A 65 -5.096 -10.543 14.655 1.00 0.00 C ATOM 1083 CD GLN A 65 -4.624 -11.556 15.673 1.00 0.00 C ATOM 1084 OE1 GLN A 65 -4.583 -12.757 15.403 1.00 0.00 O ATOM 1085 NE2 GLN A 65 -4.285 -11.079 16.855 1.00 0.00 N ATOM 0 H GLN A 65 -8.090 -11.456 12.289 1.00 0.00 H new ATOM 0 HA GLN A 65 -6.795 -9.123 13.154 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -7.029 -11.374 14.308 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -5.781 -11.981 13.238 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -4.243 -10.205 14.066 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -5.489 -9.670 15.176 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -4.335 -10.076 17.034 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -3.973 -11.713 17.591 1.00 0.00 H new ATOM 1094 N VAL A 66 -5.444 -10.640 10.606 1.00 0.00 N ATOM 1095 CA VAL A 66 -4.552 -10.412 9.482 1.00 0.00 C ATOM 1096 C VAL A 66 -4.823 -9.032 8.887 1.00 0.00 C ATOM 1097 O VAL A 66 -3.908 -8.234 8.687 1.00 0.00 O ATOM 1098 CB VAL A 66 -4.744 -11.484 8.388 1.00 0.00 C ATOM 1099 CG1 VAL A 66 -3.826 -11.228 7.204 1.00 0.00 C ATOM 1100 CG2 VAL A 66 -4.519 -12.875 8.959 1.00 0.00 C ATOM 0 H VAL A 66 -6.050 -11.454 10.504 1.00 0.00 H new ATOM 0 HA VAL A 66 -3.526 -10.471 9.846 1.00 0.00 H new ATOM 0 HB VAL A 66 -5.772 -11.423 8.030 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -3.983 -11.998 6.449 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -4.048 -10.250 6.776 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -2.788 -11.252 7.536 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -4.659 -13.618 8.174 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -3.505 -12.948 9.351 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -5.232 -13.058 9.762 1.00 0.00 H new ATOM 1110 N ILE A 67 -6.101 -8.758 8.653 1.00 0.00 N ATOM 1111 CA ILE A 67 -6.543 -7.479 8.114 1.00 0.00 C ATOM 1112 C ILE A 67 -6.188 -6.334 9.061 1.00 0.00 C ATOM 1113 O ILE A 67 -5.750 -5.276 8.618 1.00 0.00 O ATOM 1114 CB ILE A 67 -8.067 -7.483 7.859 1.00 0.00 C ATOM 1115 CG1 ILE A 67 -8.441 -8.625 6.906 1.00 0.00 C ATOM 1116 CG2 ILE A 67 -8.523 -6.143 7.295 1.00 0.00 C ATOM 1117 CD1 ILE A 67 -9.929 -8.739 6.636 1.00 0.00 C ATOM 0 H ILE A 67 -6.859 -9.416 8.832 1.00 0.00 H new ATOM 0 HA ILE A 67 -6.026 -7.328 7.167 1.00 0.00 H new ATOM 0 HB ILE A 67 -8.577 -7.641 8.809 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -7.920 -8.480 5.959 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -8.085 -9.566 7.325 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -9.599 -6.168 7.123 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -8.287 -5.350 8.005 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -8.009 -5.951 6.353 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -10.112 -9.569 5.954 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -10.456 -8.916 7.573 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -10.289 -7.814 6.186 1.00 0.00 H new ATOM 1129 N ASP A 68 -6.361 -6.561 10.363 1.00 0.00 N ATOM 1130 CA ASP A 68 -6.029 -5.562 11.377 1.00 0.00 C ATOM 1131 C ASP A 68 -4.577 -5.119 11.250 1.00 0.00 C ATOM 1132 O ASP A 68 -4.274 -3.926 11.313 1.00 0.00 O ATOM 1133 CB ASP A 68 -6.264 -6.110 12.791 1.00 0.00 C ATOM 1134 CG ASP A 68 -7.723 -6.107 13.213 1.00 0.00 C ATOM 1135 OD1 ASP A 68 -8.263 -5.020 13.516 1.00 0.00 O ATOM 1136 OD2 ASP A 68 -8.328 -7.197 13.269 1.00 0.00 O ATOM 0 H ASP A 68 -6.731 -7.433 10.741 1.00 0.00 H new ATOM 0 HA ASP A 68 -6.683 -4.706 11.212 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -5.882 -7.129 12.844 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -5.688 -5.516 13.501 1.00 0.00 H new ATOM 1141 N LYS A 69 -3.679 -6.085 11.064 1.00 0.00 N ATOM 1142 CA LYS A 69 -2.256 -5.785 10.927 1.00 0.00 C ATOM 1143 C LYS A 69 -1.990 -4.969 9.663 1.00 0.00 C ATOM 1144 O LYS A 69 -1.268 -3.974 9.701 1.00 0.00 O ATOM 1145 CB LYS A 69 -1.420 -7.069 10.884 1.00 0.00 C ATOM 1146 CG LYS A 69 -1.653 -8.008 12.055 1.00 0.00 C ATOM 1147 CD LYS A 69 -0.613 -9.115 12.085 1.00 0.00 C ATOM 1148 CE LYS A 69 -0.984 -10.213 13.066 1.00 0.00 C ATOM 1149 NZ LYS A 69 -2.154 -11.002 12.596 1.00 0.00 N ATOM 0 H LYS A 69 -3.910 -7.077 11.005 1.00 0.00 H new ATOM 0 HA LYS A 69 -1.964 -5.201 11.800 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -1.640 -7.601 9.958 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -0.364 -6.800 10.854 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -1.617 -7.446 12.988 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -2.650 -8.443 11.983 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -0.506 -9.540 11.087 1.00 0.00 H new ATOM 0 HD3 LYS A 69 0.356 -8.696 12.358 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -0.131 -10.877 13.208 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -1.209 -9.772 14.037 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -2.429 -11.686 13.330 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -2.950 -10.361 12.404 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -1.902 -11.512 11.725 1.00 0.00 H new ATOM 1163 N ILE A 70 -2.591 -5.384 8.553 1.00 0.00 N ATOM 1164 CA ILE A 70 -2.426 -4.681 7.284 1.00 0.00 C ATOM 1165 C ILE A 70 -3.056 -3.292 7.359 1.00 0.00 C ATOM 1166 O ILE A 70 -2.490 -2.328 6.866 1.00 0.00 O ATOM 1167 CB ILE A 70 -3.032 -5.494 6.102 1.00 0.00 C ATOM 1168 CG1 ILE A 70 -2.041 -6.543 5.579 1.00 0.00 C ATOM 1169 CG2 ILE A 70 -3.464 -4.582 4.960 1.00 0.00 C ATOM 1170 CD1 ILE A 70 -1.672 -7.616 6.580 1.00 0.00 C ATOM 0 H ILE A 70 -3.197 -6.203 8.505 1.00 0.00 H new ATOM 0 HA ILE A 70 -1.358 -4.571 7.098 1.00 0.00 H new ATOM 0 HB ILE A 70 -3.912 -6.006 6.490 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -2.469 -7.019 4.697 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -1.131 -6.036 5.258 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -3.882 -5.183 4.153 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -4.218 -3.882 5.319 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -2.601 -4.028 4.590 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -0.968 -8.313 6.124 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -1.212 -7.155 7.454 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -2.570 -8.154 6.884 1.00 0.00 H new ATOM 1182 N LEU A 71 -4.209 -3.199 8.012 1.00 0.00 N ATOM 1183 CA LEU A 71 -4.926 -1.935 8.147 1.00 0.00 C ATOM 1184 C LEU A 71 -4.058 -0.906 8.871 1.00 0.00 C ATOM 1185 O LEU A 71 -3.894 0.219 8.400 1.00 0.00 O ATOM 1186 CB LEU A 71 -6.245 -2.172 8.903 1.00 0.00 C ATOM 1187 CG LEU A 71 -7.312 -1.071 8.791 1.00 0.00 C ATOM 1188 CD1 LEU A 71 -6.946 0.150 9.621 1.00 0.00 C ATOM 1189 CD2 LEU A 71 -7.517 -0.685 7.337 1.00 0.00 C ATOM 0 H LEU A 71 -4.671 -3.991 8.460 1.00 0.00 H new ATOM 0 HA LEU A 71 -5.155 -1.541 7.157 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -6.680 -3.105 8.545 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -6.012 -2.314 9.958 1.00 0.00 H new ATOM 0 HG LEU A 71 -8.246 -1.469 9.187 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -7.723 0.907 9.517 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -6.856 -0.136 10.669 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -5.996 0.555 9.273 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -8.275 0.095 7.271 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -6.579 -0.316 6.923 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -7.845 -1.557 6.772 1.00 0.00 H new ATOM 1201 N GLU A 72 -3.492 -1.306 10.003 1.00 0.00 N ATOM 1202 CA GLU A 72 -2.651 -0.413 10.791 1.00 0.00 C ATOM 1203 C GLU A 72 -1.374 -0.071 10.024 1.00 0.00 C ATOM 1204 O GLU A 72 -0.944 1.083 9.982 1.00 0.00 O ATOM 1205 CB GLU A 72 -2.302 -1.068 12.129 1.00 0.00 C ATOM 1206 CG GLU A 72 -1.573 -0.148 13.093 1.00 0.00 C ATOM 1207 CD GLU A 72 -2.442 0.988 13.594 1.00 0.00 C ATOM 1208 OE1 GLU A 72 -2.519 2.033 12.916 1.00 0.00 O ATOM 1209 OE2 GLU A 72 -3.039 0.846 14.681 1.00 0.00 O ATOM 0 H GLU A 72 -3.600 -2.241 10.396 1.00 0.00 H new ATOM 0 HA GLU A 72 -3.201 0.509 10.980 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -3.220 -1.419 12.601 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -1.684 -1.946 11.942 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -1.217 -0.729 13.944 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -0.693 0.265 12.599 1.00 0.00 H new ATOM 1216 N ASP A 73 -0.783 -1.086 9.411 1.00 0.00 N ATOM 1217 CA ASP A 73 0.438 -0.917 8.628 1.00 0.00 C ATOM 1218 C ASP A 73 0.190 0.008 7.436 1.00 0.00 C ATOM 1219 O ASP A 73 0.983 0.908 7.156 1.00 0.00 O ATOM 1220 CB ASP A 73 0.927 -2.282 8.130 1.00 0.00 C ATOM 1221 CG ASP A 73 2.226 -2.210 7.359 1.00 0.00 C ATOM 1222 OD1 ASP A 73 2.244 -1.635 6.274 1.00 0.00 O ATOM 1223 OD2 ASP A 73 3.237 -2.783 7.773 1.00 0.00 O ATOM 0 H ASP A 73 -1.131 -2.044 9.440 1.00 0.00 H new ATOM 0 HA ASP A 73 1.200 -0.467 9.265 1.00 0.00 H new ATOM 0 HB2 ASP A 73 1.056 -2.947 8.984 1.00 0.00 H new ATOM 0 HB3 ASP A 73 0.160 -2.725 7.495 1.00 0.00 H new ATOM 1228 N GLU A 74 -0.921 -0.219 6.748 1.00 0.00 N ATOM 1229 CA GLU A 74 -1.264 0.530 5.547 1.00 0.00 C ATOM 1230 C GLU A 74 -1.537 1.997 5.894 1.00 0.00 C ATOM 1231 O GLU A 74 -1.137 2.897 5.154 1.00 0.00 O ATOM 1232 CB GLU A 74 -2.483 -0.109 4.867 1.00 0.00 C ATOM 1233 CG GLU A 74 -2.529 0.056 3.353 1.00 0.00 C ATOM 1234 CD GLU A 74 -1.332 -0.561 2.644 1.00 0.00 C ATOM 1235 OE1 GLU A 74 -1.233 -1.812 2.549 1.00 0.00 O ATOM 1236 OE2 GLU A 74 -0.471 0.198 2.172 1.00 0.00 O ATOM 0 H GLU A 74 -1.609 -0.927 7.006 1.00 0.00 H new ATOM 0 HA GLU A 74 -0.424 0.499 4.853 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -2.497 -1.173 5.103 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -3.388 0.324 5.293 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -3.443 -0.400 2.972 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -2.578 1.118 3.111 1.00 0.00 H new ATOM 1243 N GLU A 75 -2.201 2.236 7.030 1.00 0.00 N ATOM 1244 CA GLU A 75 -2.422 3.601 7.505 1.00 0.00 C ATOM 1245 C GLU A 75 -1.090 4.269 7.844 1.00 0.00 C ATOM 1246 O GLU A 75 -0.917 5.475 7.654 1.00 0.00 O ATOM 1247 CB GLU A 75 -3.357 3.650 8.732 1.00 0.00 C ATOM 1248 CG GLU A 75 -4.727 4.300 8.472 1.00 0.00 C ATOM 1249 CD GLU A 75 -4.691 5.319 7.346 1.00 0.00 C ATOM 1250 OE1 GLU A 75 -3.667 5.997 7.188 1.00 0.00 O ATOM 1251 OE2 GLU A 75 -5.580 5.278 6.480 1.00 0.00 O ATOM 0 H GLU A 75 -2.590 1.509 7.630 1.00 0.00 H new ATOM 0 HA GLU A 75 -2.910 4.145 6.696 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -3.515 2.633 9.092 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -2.857 4.197 9.531 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -5.452 3.523 8.230 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -5.073 4.786 9.385 1.00 0.00 H new ATOM 1258 N LYS A 76 -0.147 3.488 8.351 1.00 0.00 N ATOM 1259 CA LYS A 76 1.176 4.008 8.669 1.00 0.00 C ATOM 1260 C LYS A 76 1.910 4.446 7.401 1.00 0.00 C ATOM 1261 O LYS A 76 2.685 5.405 7.427 1.00 0.00 O ATOM 1262 CB LYS A 76 1.996 2.981 9.452 1.00 0.00 C ATOM 1263 CG LYS A 76 3.432 3.412 9.705 1.00 0.00 C ATOM 1264 CD LYS A 76 3.990 2.803 10.981 1.00 0.00 C ATOM 1265 CE LYS A 76 3.848 3.744 12.172 1.00 0.00 C ATOM 1266 NZ LYS A 76 2.427 4.058 12.486 1.00 0.00 N ATOM 0 H LYS A 76 -0.272 2.496 8.551 1.00 0.00 H new ATOM 0 HA LYS A 76 1.049 4.886 9.303 1.00 0.00 H new ATOM 0 HB2 LYS A 76 1.508 2.792 10.408 1.00 0.00 H new ATOM 0 HB3 LYS A 76 2.000 2.038 8.905 1.00 0.00 H new ATOM 0 HG2 LYS A 76 4.054 3.117 8.860 1.00 0.00 H new ATOM 0 HG3 LYS A 76 3.479 4.499 9.771 1.00 0.00 H new ATOM 0 HD2 LYS A 76 3.471 1.868 11.194 1.00 0.00 H new ATOM 0 HD3 LYS A 76 5.042 2.558 10.836 1.00 0.00 H new ATOM 0 HE2 LYS A 76 4.318 3.292 13.046 1.00 0.00 H new ATOM 0 HE3 LYS A 76 4.384 4.670 11.965 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 2.372 4.528 13.412 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 2.041 4.688 11.754 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 1.874 3.177 12.511 1.00 0.00 H new ATOM 1280 N HIS A 77 1.664 3.746 6.297 1.00 0.00 N ATOM 1281 CA HIS A 77 2.221 4.147 5.005 1.00 0.00 C ATOM 1282 C HIS A 77 1.737 5.545 4.645 1.00 0.00 C ATOM 1283 O HIS A 77 2.511 6.395 4.200 1.00 0.00 O ATOM 1284 CB HIS A 77 1.795 3.192 3.890 1.00 0.00 C ATOM 1285 CG HIS A 77 2.301 1.792 4.023 1.00 0.00 C ATOM 1286 ND1 HIS A 77 1.788 0.736 3.305 1.00 0.00 N ATOM 1287 CD2 HIS A 77 3.286 1.276 4.802 1.00 0.00 C ATOM 1288 CE1 HIS A 77 2.455 -0.364 3.662 1.00 0.00 C ATOM 1289 NE2 HIS A 77 3.380 -0.097 4.567 1.00 0.00 N ATOM 0 H HIS A 77 1.088 2.905 6.269 1.00 0.00 H new ATOM 0 HA HIS A 77 3.307 4.126 5.097 1.00 0.00 H new ATOM 0 HB2 HIS A 77 0.706 3.166 3.853 1.00 0.00 H new ATOM 0 HB3 HIS A 77 2.137 3.596 2.937 1.00 0.00 H new ATOM 0 HD2 HIS A 77 3.898 1.837 5.492 1.00 0.00 H new ATOM 0 HE1 HIS A 77 2.263 -1.348 3.261 1.00 0.00 H new ATOM 0 HE2 HIS A 77 4.026 -0.755 5.002 1.00 0.00 H new ATOM 1296 N ILE A 78 0.447 5.766 4.848 1.00 0.00 N ATOM 1297 CA ILE A 78 -0.173 7.045 4.553 1.00 0.00 C ATOM 1298 C ILE A 78 0.363 8.130 5.480 1.00 0.00 C ATOM 1299 O ILE A 78 0.567 9.270 5.057 1.00 0.00 O ATOM 1300 CB ILE A 78 -1.705 6.955 4.670 1.00 0.00 C ATOM 1301 CG1 ILE A 78 -2.227 5.861 3.736 1.00 0.00 C ATOM 1302 CG2 ILE A 78 -2.350 8.293 4.341 1.00 0.00 C ATOM 1303 CD1 ILE A 78 -3.721 5.640 3.818 1.00 0.00 C ATOM 0 H ILE A 78 -0.195 5.066 5.220 1.00 0.00 H new ATOM 0 HA ILE A 78 0.078 7.309 3.526 1.00 0.00 H new ATOM 0 HB ILE A 78 -1.967 6.701 5.697 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -1.964 6.119 2.710 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -1.719 4.926 3.970 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -3.433 8.207 4.430 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -1.988 9.052 5.035 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -2.092 8.581 3.322 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -4.010 4.849 3.126 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -3.991 5.350 4.833 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -4.240 6.561 3.554 1.00 0.00 H new ATOM 1315 N GLU A 79 0.600 7.767 6.740 1.00 0.00 N ATOM 1316 CA GLU A 79 1.233 8.684 7.690 1.00 0.00 C ATOM 1317 C GLU A 79 2.563 9.177 7.130 1.00 0.00 C ATOM 1318 O GLU A 79 2.881 10.366 7.200 1.00 0.00 O ATOM 1319 CB GLU A 79 1.488 7.999 9.039 1.00 0.00 C ATOM 1320 CG GLU A 79 0.230 7.642 9.809 1.00 0.00 C ATOM 1321 CD GLU A 79 0.536 6.998 11.148 1.00 0.00 C ATOM 1322 OE1 GLU A 79 0.844 7.733 12.113 1.00 0.00 O ATOM 1323 OE2 GLU A 79 0.471 5.754 11.247 1.00 0.00 O ATOM 0 H GLU A 79 0.366 6.852 7.126 1.00 0.00 H new ATOM 0 HA GLU A 79 0.554 9.523 7.843 1.00 0.00 H new ATOM 0 HB2 GLU A 79 2.065 7.090 8.868 1.00 0.00 H new ATOM 0 HB3 GLU A 79 2.103 8.655 9.655 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -0.363 8.543 9.969 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -0.378 6.962 9.212 1.00 0.00 H new ATOM 1330 N TRP A 80 3.318 8.254 6.555 1.00 0.00 N ATOM 1331 CA TRP A 80 4.609 8.575 5.973 1.00 0.00 C ATOM 1332 C TRP A 80 4.457 9.420 4.711 1.00 0.00 C ATOM 1333 O TRP A 80 4.972 10.532 4.643 1.00 0.00 O ATOM 1334 CB TRP A 80 5.387 7.289 5.660 1.00 0.00 C ATOM 1335 CG TRP A 80 6.598 7.507 4.803 1.00 0.00 C ATOM 1336 CD1 TRP A 80 6.934 6.805 3.686 1.00 0.00 C ATOM 1337 CD2 TRP A 80 7.617 8.501 4.975 1.00 0.00 C ATOM 1338 NE1 TRP A 80 8.099 7.296 3.151 1.00 0.00 N ATOM 1339 CE2 TRP A 80 8.535 8.340 3.923 1.00 0.00 C ATOM 1340 CE3 TRP A 80 7.839 9.515 5.911 1.00 0.00 C ATOM 1341 CZ2 TRP A 80 9.657 9.146 3.786 1.00 0.00 C ATOM 1342 CZ3 TRP A 80 8.953 10.317 5.774 1.00 0.00 C ATOM 1343 CH2 TRP A 80 9.848 10.131 4.714 1.00 0.00 C ATOM 0 H TRP A 80 3.056 7.271 6.479 1.00 0.00 H new ATOM 0 HA TRP A 80 5.168 9.161 6.703 1.00 0.00 H new ATOM 0 HB2 TRP A 80 5.695 6.825 6.597 1.00 0.00 H new ATOM 0 HB3 TRP A 80 4.721 6.586 5.160 1.00 0.00 H new ATOM 0 HD1 TRP A 80 6.366 5.981 3.280 1.00 0.00 H new ATOM 0 HE1 TRP A 80 8.564 6.941 2.315 1.00 0.00 H new ATOM 0 HE3 TRP A 80 7.150 9.668 6.728 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 10.355 9.000 2.975 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 9.137 11.100 6.495 1.00 0.00 H new ATOM 0 HH2 TRP A 80 10.707 10.779 4.628 1.00 0.00 H new ATOM 1354 N HIS A 81 3.736 8.901 3.724 1.00 0.00 N ATOM 1355 CA HIS A 81 3.653 9.546 2.414 1.00 0.00 C ATOM 1356 C HIS A 81 3.109 10.970 2.483 1.00 0.00 C ATOM 1357 O HIS A 81 3.538 11.834 1.713 1.00 0.00 O ATOM 1358 CB HIS A 81 2.815 8.706 1.449 1.00 0.00 C ATOM 1359 CG HIS A 81 3.614 7.653 0.745 1.00 0.00 C ATOM 1360 ND1 HIS A 81 4.264 7.869 -0.450 1.00 0.00 N ATOM 1361 CD2 HIS A 81 3.901 6.375 1.101 1.00 0.00 C ATOM 1362 CE1 HIS A 81 4.914 6.747 -0.776 1.00 0.00 C ATOM 1363 NE2 HIS A 81 4.728 5.810 0.133 1.00 0.00 N ATOM 0 H HIS A 81 3.200 8.037 3.803 1.00 0.00 H new ATOM 0 HA HIS A 81 4.675 9.615 2.040 1.00 0.00 H new ATOM 0 HB2 HIS A 81 2.003 8.231 2.000 1.00 0.00 H new ATOM 0 HB3 HIS A 81 2.356 9.362 0.709 1.00 0.00 H new ATOM 0 HD2 HIS A 81 3.546 5.877 1.991 1.00 0.00 H new ATOM 0 HE1 HIS A 81 5.513 6.624 -1.667 1.00 0.00 H new ATOM 0 HE2 HIS A 81 5.111 4.865 0.128 1.00 0.00 H new ATOM 1371 N LYS A 82 2.190 11.227 3.401 1.00 0.00 N ATOM 1372 CA LYS A 82 1.612 12.559 3.521 1.00 0.00 C ATOM 1373 C LYS A 82 2.626 13.528 4.130 1.00 0.00 C ATOM 1374 O LYS A 82 2.735 14.680 3.708 1.00 0.00 O ATOM 1375 CB LYS A 82 0.334 12.513 4.360 1.00 0.00 C ATOM 1376 CG LYS A 82 -0.544 13.740 4.186 1.00 0.00 C ATOM 1377 CD LYS A 82 -1.869 13.591 4.916 1.00 0.00 C ATOM 1378 CE LYS A 82 -1.685 13.615 6.426 1.00 0.00 C ATOM 1379 NZ LYS A 82 -1.238 14.947 6.911 1.00 0.00 N ATOM 0 H LYS A 82 1.831 10.542 4.066 1.00 0.00 H new ATOM 0 HA LYS A 82 1.353 12.917 2.524 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -0.237 11.625 4.090 1.00 0.00 H new ATOM 0 HB3 LYS A 82 0.602 12.413 5.412 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -0.019 14.619 4.560 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -0.730 13.907 3.125 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -2.541 14.396 4.618 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -2.343 12.655 4.622 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -2.625 13.350 6.910 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -0.954 12.860 6.714 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -1.367 15.002 7.941 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -0.233 15.081 6.680 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -1.801 15.691 6.451 1.00 0.00 H new ATOM 1393 N ALA A 83 3.376 13.054 5.120 1.00 0.00 N ATOM 1394 CA ALA A 83 4.427 13.855 5.737 1.00 0.00 C ATOM 1395 C ALA A 83 5.610 14.016 4.785 1.00 0.00 C ATOM 1396 O ALA A 83 6.310 15.030 4.805 1.00 0.00 O ATOM 1397 CB ALA A 83 4.881 13.223 7.044 1.00 0.00 C ATOM 0 H ALA A 83 3.275 12.118 5.512 1.00 0.00 H new ATOM 0 HA ALA A 83 4.021 14.844 5.952 1.00 0.00 H new ATOM 0 HB1 ALA A 83 5.665 13.834 7.490 1.00 0.00 H new ATOM 0 HB2 ALA A 83 4.036 13.159 7.730 1.00 0.00 H new ATOM 0 HB3 ALA A 83 5.267 12.222 6.850 1.00 0.00 H new ATOM 1403 N ALA A 84 5.806 13.008 3.943 1.00 0.00 N ATOM 1404 CA ALA A 84 6.908 12.978 2.988 1.00 0.00 C ATOM 1405 C ALA A 84 6.740 14.017 1.882 1.00 0.00 C ATOM 1406 O ALA A 84 7.656 14.236 1.092 1.00 0.00 O ATOM 1407 CB ALA A 84 7.044 11.589 2.384 1.00 0.00 C ATOM 0 H ALA A 84 5.203 12.186 3.903 1.00 0.00 H new ATOM 0 HA ALA A 84 7.817 13.227 3.535 1.00 0.00 H new ATOM 0 HB1 ALA A 84 7.870 11.581 1.673 1.00 0.00 H new ATOM 0 HB2 ALA A 84 7.239 10.866 3.176 1.00 0.00 H new ATOM 0 HB3 ALA A 84 6.120 11.324 1.870 1.00 0.00 H new ATOM 1413 N SER A 85 5.565 14.634 1.807 1.00 0.00 N ATOM 1414 CA SER A 85 5.307 15.660 0.804 1.00 0.00 C ATOM 1415 C SER A 85 6.166 16.904 1.063 1.00 0.00 C ATOM 1416 O SER A 85 5.753 17.829 1.760 1.00 0.00 O ATOM 1417 CB SER A 85 3.822 16.034 0.802 1.00 0.00 C ATOM 1418 OG SER A 85 3.007 14.892 0.590 1.00 0.00 O ATOM 0 H SER A 85 4.778 14.442 2.427 1.00 0.00 H new ATOM 0 HA SER A 85 5.573 15.258 -0.174 1.00 0.00 H new ATOM 0 HB2 SER A 85 3.560 16.500 1.752 1.00 0.00 H new ATOM 0 HB3 SER A 85 3.631 16.771 0.022 1.00 0.00 H new ATOM 0 HG SER A 85 2.704 14.542 1.454 1.00 0.00 H new ATOM 1424 N LYS A 86 7.379 16.893 0.525 1.00 0.00 N ATOM 1425 CA LYS A 86 8.304 18.006 0.666 1.00 0.00 C ATOM 1426 C LYS A 86 8.725 18.506 -0.711 1.00 0.00 C ATOM 1427 O LYS A 86 8.249 18.005 -1.731 1.00 0.00 O ATOM 1428 CB LYS A 86 9.547 17.575 1.458 1.00 0.00 C ATOM 1429 CG LYS A 86 9.272 17.200 2.909 1.00 0.00 C ATOM 1430 CD LYS A 86 8.846 18.408 3.732 1.00 0.00 C ATOM 1431 CE LYS A 86 8.687 18.059 5.206 1.00 0.00 C ATOM 1432 NZ LYS A 86 9.969 17.615 5.817 1.00 0.00 N ATOM 0 H LYS A 86 7.747 16.113 -0.020 1.00 0.00 H new ATOM 0 HA LYS A 86 7.802 18.808 1.207 1.00 0.00 H new ATOM 0 HB2 LYS A 86 10.005 16.723 0.956 1.00 0.00 H new ATOM 0 HB3 LYS A 86 10.275 18.386 1.437 1.00 0.00 H new ATOM 0 HG2 LYS A 86 8.491 16.440 2.947 1.00 0.00 H new ATOM 0 HG3 LYS A 86 10.167 16.759 3.347 1.00 0.00 H new ATOM 0 HD2 LYS A 86 9.586 19.201 3.624 1.00 0.00 H new ATOM 0 HD3 LYS A 86 7.903 18.797 3.347 1.00 0.00 H new ATOM 0 HE2 LYS A 86 8.311 18.928 5.745 1.00 0.00 H new ATOM 0 HE3 LYS A 86 7.942 17.270 5.313 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 9.889 17.648 6.853 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 10.178 16.641 5.517 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 10.737 18.245 5.509 1.00 0.00 H new ATOM 1446 N GLN A 87 9.615 19.488 -0.737 1.00 0.00 N ATOM 1447 CA GLN A 87 10.133 20.017 -1.988 1.00 0.00 C ATOM 1448 C GLN A 87 11.645 19.838 -2.033 1.00 0.00 C ATOM 1449 O GLN A 87 12.330 20.066 -1.034 1.00 0.00 O ATOM 1450 CB GLN A 87 9.796 21.506 -2.146 1.00 0.00 C ATOM 1451 CG GLN A 87 8.359 21.872 -1.803 1.00 0.00 C ATOM 1452 CD GLN A 87 8.186 22.281 -0.350 1.00 0.00 C ATOM 1453 OE1 GLN A 87 7.907 21.455 0.522 1.00 0.00 O ATOM 1454 NE2 GLN A 87 8.367 23.562 -0.081 1.00 0.00 N ATOM 0 H GLN A 87 9.994 19.935 0.098 1.00 0.00 H new ATOM 0 HA GLN A 87 9.665 19.468 -2.805 1.00 0.00 H new ATOM 0 HB2 GLN A 87 10.466 22.086 -1.511 1.00 0.00 H new ATOM 0 HB3 GLN A 87 9.997 21.803 -3.175 1.00 0.00 H new ATOM 0 HG2 GLN A 87 8.034 22.689 -2.447 1.00 0.00 H new ATOM 0 HG3 GLN A 87 7.712 21.021 -2.016 1.00 0.00 H new ATOM 0 HE21 GLN A 87 8.597 24.213 -0.832 1.00 0.00 H new ATOM 0 HE22 GLN A 87 8.277 23.900 0.877 1.00 0.00 H new ATOM 1463 N GLY A 88 12.157 19.421 -3.183 1.00 0.00 N ATOM 1464 CA GLY A 88 13.590 19.270 -3.349 1.00 0.00 C ATOM 1465 C GLY A 88 14.168 18.101 -2.571 1.00 0.00 C ATOM 1466 O GLY A 88 15.314 18.155 -2.126 1.00 0.00 O ATOM 0 H GLY A 88 11.604 19.184 -4.007 1.00 0.00 H new ATOM 0 HA2 GLY A 88 13.814 19.138 -4.408 1.00 0.00 H new ATOM 0 HA3 GLY A 88 14.084 20.188 -3.031 1.00 0.00 H new ATOM 1470 N ASN A 89 13.385 17.044 -2.407 1.00 0.00 N ATOM 1471 CA ASN A 89 13.852 15.854 -1.705 1.00 0.00 C ATOM 1472 C ASN A 89 13.336 14.600 -2.398 1.00 0.00 C ATOM 1473 O ASN A 89 12.128 14.401 -2.520 1.00 0.00 O ATOM 1474 CB ASN A 89 13.393 15.875 -0.242 1.00 0.00 C ATOM 1475 CG ASN A 89 13.998 14.752 0.596 1.00 0.00 C ATOM 1476 OD1 ASN A 89 14.279 13.656 0.104 1.00 0.00 O ATOM 1477 ND2 ASN A 89 14.198 15.022 1.876 1.00 0.00 N ATOM 0 H ASN A 89 12.426 16.985 -2.749 1.00 0.00 H new ATOM 0 HA ASN A 89 14.942 15.847 -1.725 1.00 0.00 H new ATOM 0 HB2 ASN A 89 13.660 16.834 0.202 1.00 0.00 H new ATOM 0 HB3 ASN A 89 12.306 15.799 -0.208 1.00 0.00 H new ATOM 0 HD21 ASN A 89 14.597 14.312 2.491 1.00 0.00 H new ATOM 0 HD22 ASN A 89 13.953 15.940 2.248 1.00 0.00 H new ATOM 1484 N ALA A 90 14.256 13.767 -2.863 1.00 0.00 N ATOM 1485 CA ALA A 90 13.889 12.520 -3.519 1.00 0.00 C ATOM 1486 C ALA A 90 14.821 11.383 -3.111 1.00 0.00 C ATOM 1487 O ALA A 90 14.459 10.213 -3.213 1.00 0.00 O ATOM 1488 CB ALA A 90 13.902 12.699 -5.030 1.00 0.00 C ATOM 0 H ALA A 90 15.261 13.932 -2.798 1.00 0.00 H new ATOM 0 HA ALA A 90 12.881 12.255 -3.201 1.00 0.00 H new ATOM 0 HB1 ALA A 90 13.626 11.760 -5.510 1.00 0.00 H new ATOM 0 HB2 ALA A 90 13.188 13.474 -5.311 1.00 0.00 H new ATOM 0 HB3 ALA A 90 14.901 12.992 -5.353 1.00 0.00 H new ATOM 1494 N GLU A 91 16.009 11.732 -2.630 1.00 0.00 N ATOM 1495 CA GLU A 91 17.033 10.739 -2.324 1.00 0.00 C ATOM 1496 C GLU A 91 16.603 9.855 -1.155 1.00 0.00 C ATOM 1497 O GLU A 91 16.627 8.625 -1.249 1.00 0.00 O ATOM 1498 CB GLU A 91 18.348 11.455 -1.995 1.00 0.00 C ATOM 1499 CG GLU A 91 19.527 10.524 -1.780 1.00 0.00 C ATOM 1500 CD GLU A 91 19.850 9.702 -3.009 1.00 0.00 C ATOM 1501 OE1 GLU A 91 20.258 10.290 -4.035 1.00 0.00 O ATOM 1502 OE2 GLU A 91 19.703 8.459 -2.955 1.00 0.00 O ATOM 0 H GLU A 91 16.287 12.695 -2.443 1.00 0.00 H new ATOM 0 HA GLU A 91 17.175 10.097 -3.193 1.00 0.00 H new ATOM 0 HB2 GLU A 91 18.586 12.143 -2.806 1.00 0.00 H new ATOM 0 HB3 GLU A 91 18.206 12.057 -1.097 1.00 0.00 H new ATOM 0 HG2 GLU A 91 20.402 11.110 -1.499 1.00 0.00 H new ATOM 0 HG3 GLU A 91 19.310 9.856 -0.947 1.00 0.00 H new ATOM 1509 N GLN A 92 16.185 10.484 -0.071 1.00 0.00 N ATOM 1510 CA GLN A 92 15.672 9.758 1.080 1.00 0.00 C ATOM 1511 C GLN A 92 14.319 9.144 0.745 1.00 0.00 C ATOM 1512 O GLN A 92 14.046 7.986 1.061 1.00 0.00 O ATOM 1513 CB GLN A 92 15.543 10.688 2.294 1.00 0.00 C ATOM 1514 CG GLN A 92 16.876 11.150 2.879 1.00 0.00 C ATOM 1515 CD GLN A 92 17.658 12.069 1.956 1.00 0.00 C ATOM 1516 OE1 GLN A 92 17.081 12.823 1.173 1.00 0.00 O ATOM 1517 NE2 GLN A 92 18.978 12.005 2.032 1.00 0.00 N ATOM 0 H GLN A 92 16.190 11.498 0.038 1.00 0.00 H new ATOM 0 HA GLN A 92 16.374 8.963 1.330 1.00 0.00 H new ATOM 0 HB2 GLN A 92 14.964 11.565 2.005 1.00 0.00 H new ATOM 0 HB3 GLN A 92 14.977 10.174 3.071 1.00 0.00 H new ATOM 0 HG2 GLN A 92 16.691 11.666 3.821 1.00 0.00 H new ATOM 0 HG3 GLN A 92 17.485 10.276 3.109 1.00 0.00 H new ATOM 0 HE21 GLN A 92 19.420 11.367 2.694 1.00 0.00 H new ATOM 0 HE22 GLN A 92 19.553 12.593 1.429 1.00 0.00 H new ATOM 1526 N PHE A 93 13.497 9.938 0.071 1.00 0.00 N ATOM 1527 CA PHE A 93 12.133 9.559 -0.282 1.00 0.00 C ATOM 1528 C PHE A 93 12.097 8.239 -1.056 1.00 0.00 C ATOM 1529 O PHE A 93 11.407 7.305 -0.655 1.00 0.00 O ATOM 1530 CB PHE A 93 11.501 10.692 -1.099 1.00 0.00 C ATOM 1531 CG PHE A 93 10.131 10.396 -1.640 1.00 0.00 C ATOM 1532 CD1 PHE A 93 9.037 10.297 -0.796 1.00 0.00 C ATOM 1533 CD2 PHE A 93 9.942 10.224 -3.001 1.00 0.00 C ATOM 1534 CE1 PHE A 93 7.777 10.032 -1.303 1.00 0.00 C ATOM 1535 CE2 PHE A 93 8.688 9.963 -3.512 1.00 0.00 C ATOM 1536 CZ PHE A 93 7.604 9.866 -2.665 1.00 0.00 C ATOM 0 H PHE A 93 13.759 10.870 -0.249 1.00 0.00 H new ATOM 0 HA PHE A 93 11.560 9.403 0.632 1.00 0.00 H new ATOM 0 HB2 PHE A 93 11.444 11.583 -0.473 1.00 0.00 H new ATOM 0 HB3 PHE A 93 12.161 10.930 -1.933 1.00 0.00 H new ATOM 0 HD1 PHE A 93 9.169 10.428 0.268 1.00 0.00 H new ATOM 0 HD2 PHE A 93 10.787 10.295 -3.670 1.00 0.00 H new ATOM 0 HE1 PHE A 93 6.931 9.955 -0.637 1.00 0.00 H new ATOM 0 HE2 PHE A 93 8.555 9.834 -4.576 1.00 0.00 H new ATOM 0 HZ PHE A 93 6.622 9.661 -3.065 1.00 0.00 H new ATOM 1546 N ALA A 94 12.862 8.159 -2.144 1.00 0.00 N ATOM 1547 CA ALA A 94 12.872 6.967 -2.988 1.00 0.00 C ATOM 1548 C ALA A 94 13.352 5.741 -2.218 1.00 0.00 C ATOM 1549 O ALA A 94 12.788 4.654 -2.350 1.00 0.00 O ATOM 1550 CB ALA A 94 13.742 7.194 -4.212 1.00 0.00 C ATOM 0 H ALA A 94 13.482 8.905 -2.461 1.00 0.00 H new ATOM 0 HA ALA A 94 11.848 6.779 -3.310 1.00 0.00 H new ATOM 0 HB1 ALA A 94 13.740 6.297 -4.831 1.00 0.00 H new ATOM 0 HB2 ALA A 94 13.350 8.033 -4.787 1.00 0.00 H new ATOM 0 HB3 ALA A 94 14.762 7.415 -3.897 1.00 0.00 H new ATOM 1556 N SER A 95 14.381 5.927 -1.401 1.00 0.00 N ATOM 1557 CA SER A 95 14.947 4.838 -0.613 1.00 0.00 C ATOM 1558 C SER A 95 13.903 4.282 0.353 1.00 0.00 C ATOM 1559 O SER A 95 13.805 3.073 0.564 1.00 0.00 O ATOM 1560 CB SER A 95 16.172 5.335 0.162 1.00 0.00 C ATOM 1561 OG SER A 95 17.090 5.985 -0.705 1.00 0.00 O ATOM 0 H SER A 95 14.843 6.826 -1.266 1.00 0.00 H new ATOM 0 HA SER A 95 15.255 4.040 -1.288 1.00 0.00 H new ATOM 0 HB2 SER A 95 15.857 6.023 0.946 1.00 0.00 H new ATOM 0 HB3 SER A 95 16.662 4.495 0.653 1.00 0.00 H new ATOM 0 HG SER A 95 16.907 6.948 -0.712 1.00 0.00 H new ATOM 1567 N LEU A 96 13.121 5.177 0.933 1.00 0.00 N ATOM 1568 CA LEU A 96 12.060 4.794 1.846 1.00 0.00 C ATOM 1569 C LEU A 96 10.882 4.157 1.100 1.00 0.00 C ATOM 1570 O LEU A 96 10.221 3.260 1.624 1.00 0.00 O ATOM 1571 CB LEU A 96 11.628 6.013 2.662 1.00 0.00 C ATOM 1572 CG LEU A 96 12.599 6.383 3.792 1.00 0.00 C ATOM 1573 CD1 LEU A 96 12.636 7.885 4.015 1.00 0.00 C ATOM 1574 CD2 LEU A 96 12.198 5.677 5.074 1.00 0.00 C ATOM 0 H LEU A 96 13.203 6.183 0.785 1.00 0.00 H new ATOM 0 HA LEU A 96 12.436 4.034 2.531 1.00 0.00 H new ATOM 0 HB2 LEU A 96 11.523 6.867 1.993 1.00 0.00 H new ATOM 0 HB3 LEU A 96 10.644 5.821 3.090 1.00 0.00 H new ATOM 0 HG LEU A 96 13.598 6.059 3.499 1.00 0.00 H new ATOM 0 HD11 LEU A 96 13.332 8.116 4.821 1.00 0.00 H new ATOM 0 HD12 LEU A 96 12.962 8.381 3.101 1.00 0.00 H new ATOM 0 HD13 LEU A 96 11.640 8.238 4.283 1.00 0.00 H new ATOM 0 HD21 LEU A 96 12.893 5.946 5.870 1.00 0.00 H new ATOM 0 HD22 LEU A 96 11.189 5.979 5.356 1.00 0.00 H new ATOM 0 HD23 LEU A 96 12.224 4.598 4.919 1.00 0.00 H new ATOM 1586 N VAL A 97 10.635 4.609 -0.126 1.00 0.00 N ATOM 1587 CA VAL A 97 9.597 4.014 -0.969 1.00 0.00 C ATOM 1588 C VAL A 97 9.941 2.564 -1.316 1.00 0.00 C ATOM 1589 O VAL A 97 9.063 1.702 -1.374 1.00 0.00 O ATOM 1590 CB VAL A 97 9.384 4.828 -2.268 1.00 0.00 C ATOM 1591 CG1 VAL A 97 8.441 4.109 -3.222 1.00 0.00 C ATOM 1592 CG2 VAL A 97 8.841 6.210 -1.940 1.00 0.00 C ATOM 0 H VAL A 97 11.137 5.384 -0.559 1.00 0.00 H new ATOM 0 HA VAL A 97 8.669 4.032 -0.398 1.00 0.00 H new ATOM 0 HB VAL A 97 10.351 4.931 -2.761 1.00 0.00 H new ATOM 0 HG11 VAL A 97 8.312 4.706 -4.125 1.00 0.00 H new ATOM 0 HG12 VAL A 97 8.861 3.138 -3.486 1.00 0.00 H new ATOM 0 HG13 VAL A 97 7.474 3.967 -2.739 1.00 0.00 H new ATOM 0 HG21 VAL A 97 8.696 6.772 -2.862 1.00 0.00 H new ATOM 0 HG22 VAL A 97 7.888 6.113 -1.421 1.00 0.00 H new ATOM 0 HG23 VAL A 97 9.550 6.737 -1.302 1.00 0.00 H new ATOM 1602 N GLN A 98 11.225 2.296 -1.523 1.00 0.00 N ATOM 1603 CA GLN A 98 11.698 0.942 -1.808 1.00 0.00 C ATOM 1604 C GLN A 98 11.337 -0.011 -0.672 1.00 0.00 C ATOM 1605 O GLN A 98 10.999 -1.173 -0.900 1.00 0.00 O ATOM 1606 CB GLN A 98 13.211 0.946 -2.031 1.00 0.00 C ATOM 1607 CG GLN A 98 13.633 1.678 -3.290 1.00 0.00 C ATOM 1608 CD GLN A 98 15.136 1.818 -3.417 1.00 0.00 C ATOM 1609 OE1 GLN A 98 15.852 1.920 -2.424 1.00 0.00 O ATOM 1610 NE2 GLN A 98 15.625 1.815 -4.646 1.00 0.00 N ATOM 0 H GLN A 98 11.962 3.001 -1.499 1.00 0.00 H new ATOM 0 HA GLN A 98 11.206 0.594 -2.716 1.00 0.00 H new ATOM 0 HB2 GLN A 98 13.696 1.408 -1.171 1.00 0.00 H new ATOM 0 HB3 GLN A 98 13.566 -0.083 -2.082 1.00 0.00 H new ATOM 0 HG2 GLN A 98 13.248 1.145 -4.160 1.00 0.00 H new ATOM 0 HG3 GLN A 98 13.179 2.669 -3.297 1.00 0.00 H new ATOM 0 HE21 GLN A 98 14.997 1.728 -5.445 1.00 0.00 H new ATOM 0 HE22 GLN A 98 16.631 1.899 -4.795 1.00 0.00 H new ATOM 1619 N GLN A 99 11.389 0.497 0.549 1.00 0.00 N ATOM 1620 CA GLN A 99 11.055 -0.291 1.724 1.00 0.00 C ATOM 1621 C GLN A 99 9.545 -0.503 1.820 1.00 0.00 C ATOM 1622 O GLN A 99 9.083 -1.553 2.265 1.00 0.00 O ATOM 1623 CB GLN A 99 11.593 0.403 2.974 1.00 0.00 C ATOM 1624 CG GLN A 99 13.105 0.561 2.954 1.00 0.00 C ATOM 1625 CD GLN A 99 13.630 1.374 4.118 1.00 0.00 C ATOM 1626 OE1 GLN A 99 13.929 0.835 5.179 1.00 0.00 O ATOM 1627 NE2 GLN A 99 13.770 2.676 3.917 1.00 0.00 N ATOM 0 H GLN A 99 11.661 1.459 0.752 1.00 0.00 H new ATOM 0 HA GLN A 99 11.520 -1.273 1.641 1.00 0.00 H new ATOM 0 HB2 GLN A 99 11.131 1.386 3.066 1.00 0.00 H new ATOM 0 HB3 GLN A 99 11.303 -0.169 3.855 1.00 0.00 H new ATOM 0 HG2 GLN A 99 13.568 -0.426 2.969 1.00 0.00 H new ATOM 0 HG3 GLN A 99 13.403 1.039 2.021 1.00 0.00 H new ATOM 0 HE21 GLN A 99 13.509 3.084 3.019 1.00 0.00 H new ATOM 0 HE22 GLN A 99 14.139 3.270 4.660 1.00 0.00 H new ATOM 1636 N HIS A 100 8.787 0.501 1.388 1.00 0.00 N ATOM 1637 CA HIS A 100 7.331 0.398 1.290 1.00 0.00 C ATOM 1638 C HIS A 100 6.969 -0.722 0.315 1.00 0.00 C ATOM 1639 O HIS A 100 6.063 -1.514 0.565 1.00 0.00 O ATOM 1640 CB HIS A 100 6.756 1.745 0.813 1.00 0.00 C ATOM 1641 CG HIS A 100 5.252 1.872 0.832 1.00 0.00 C ATOM 1642 ND1 HIS A 100 4.603 3.083 0.761 1.00 0.00 N ATOM 1643 CD2 HIS A 100 4.272 0.932 0.896 1.00 0.00 C ATOM 1644 CE1 HIS A 100 3.288 2.856 0.784 1.00 0.00 C ATOM 1645 NE2 HIS A 100 3.025 1.564 0.864 1.00 0.00 N ATOM 0 H HIS A 100 9.160 1.405 1.097 1.00 0.00 H new ATOM 0 HA HIS A 100 6.905 0.163 2.265 1.00 0.00 H new ATOM 0 HB2 HIS A 100 7.174 2.536 1.436 1.00 0.00 H new ATOM 0 HB3 HIS A 100 7.102 1.924 -0.205 1.00 0.00 H new ATOM 0 HD2 HIS A 100 4.431 -0.134 0.961 1.00 0.00 H new ATOM 0 HE1 HIS A 100 2.535 3.629 0.743 1.00 0.00 H new ATOM 0 HE2 HIS A 100 2.107 1.121 0.896 1.00 0.00 H new ATOM 1653 N LEU A 101 7.711 -0.784 -0.784 1.00 0.00 N ATOM 1654 CA LEU A 101 7.504 -1.799 -1.811 1.00 0.00 C ATOM 1655 C LEU A 101 7.646 -3.207 -1.233 1.00 0.00 C ATOM 1656 O LEU A 101 6.792 -4.066 -1.452 1.00 0.00 O ATOM 1657 CB LEU A 101 8.515 -1.592 -2.946 1.00 0.00 C ATOM 1658 CG LEU A 101 8.379 -2.544 -4.135 1.00 0.00 C ATOM 1659 CD1 LEU A 101 7.064 -2.304 -4.859 1.00 0.00 C ATOM 1660 CD2 LEU A 101 9.555 -2.377 -5.087 1.00 0.00 C ATOM 0 H LEU A 101 8.471 -0.135 -0.989 1.00 0.00 H new ATOM 0 HA LEU A 101 6.491 -1.697 -2.199 1.00 0.00 H new ATOM 0 HB2 LEU A 101 8.421 -0.569 -3.310 1.00 0.00 H new ATOM 0 HB3 LEU A 101 9.520 -1.693 -2.536 1.00 0.00 H new ATOM 0 HG LEU A 101 8.383 -3.568 -3.762 1.00 0.00 H new ATOM 0 HD11 LEU A 101 6.983 -2.989 -5.703 1.00 0.00 H new ATOM 0 HD12 LEU A 101 6.234 -2.473 -4.172 1.00 0.00 H new ATOM 0 HD13 LEU A 101 7.031 -1.277 -5.222 1.00 0.00 H new ATOM 0 HD21 LEU A 101 9.443 -3.062 -5.928 1.00 0.00 H new ATOM 0 HD22 LEU A 101 9.582 -1.352 -5.455 1.00 0.00 H new ATOM 0 HD23 LEU A 101 10.484 -2.598 -4.561 1.00 0.00 H new ATOM 1672 N GLN A 102 8.723 -3.431 -0.484 1.00 0.00 N ATOM 1673 CA GLN A 102 8.970 -4.725 0.130 1.00 0.00 C ATOM 1674 C GLN A 102 7.922 -5.025 1.200 1.00 0.00 C ATOM 1675 O GLN A 102 7.509 -6.171 1.381 1.00 0.00 O ATOM 1676 CB GLN A 102 10.369 -4.752 0.747 1.00 0.00 C ATOM 1677 CG GLN A 102 11.493 -4.424 -0.229 1.00 0.00 C ATOM 1678 CD GLN A 102 11.645 -5.437 -1.353 1.00 0.00 C ATOM 1679 OE1 GLN A 102 10.682 -6.059 -1.792 1.00 0.00 O ATOM 1680 NE2 GLN A 102 12.866 -5.600 -1.834 1.00 0.00 N ATOM 0 H GLN A 102 9.437 -2.729 -0.290 1.00 0.00 H new ATOM 0 HA GLN A 102 8.903 -5.491 -0.642 1.00 0.00 H new ATOM 0 HB2 GLN A 102 10.402 -4.042 1.573 1.00 0.00 H new ATOM 0 HB3 GLN A 102 10.548 -5.741 1.169 1.00 0.00 H new ATOM 0 HG2 GLN A 102 11.311 -3.440 -0.661 1.00 0.00 H new ATOM 0 HG3 GLN A 102 12.432 -4.361 0.321 1.00 0.00 H new ATOM 0 HE21 GLN A 102 13.643 -5.066 -1.445 1.00 0.00 H new ATOM 0 HE22 GLN A 102 13.031 -6.260 -2.594 1.00 0.00 H new ATOM 1689 N ASP A 103 7.494 -3.979 1.901 1.00 0.00 N ATOM 1690 CA ASP A 103 6.475 -4.095 2.945 1.00 0.00 C ATOM 1691 C ASP A 103 5.174 -4.663 2.386 1.00 0.00 C ATOM 1692 O ASP A 103 4.593 -5.588 2.960 1.00 0.00 O ATOM 1693 CB ASP A 103 6.221 -2.717 3.573 1.00 0.00 C ATOM 1694 CG ASP A 103 5.000 -2.674 4.479 1.00 0.00 C ATOM 1695 OD1 ASP A 103 3.869 -2.803 4.016 1.00 0.00 O ATOM 1696 OD2 ASP A 103 5.114 -2.454 5.688 1.00 0.00 O ATOM 0 H ASP A 103 7.841 -3.030 1.764 1.00 0.00 H new ATOM 0 HA ASP A 103 6.841 -4.782 3.708 1.00 0.00 H new ATOM 0 HB2 ASP A 103 7.099 -2.422 4.147 1.00 0.00 H new ATOM 0 HB3 ASP A 103 6.098 -1.982 2.778 1.00 0.00 H new ATOM 1701 N GLU A 104 4.724 -4.111 1.263 1.00 0.00 N ATOM 1702 CA GLU A 104 3.448 -4.503 0.671 1.00 0.00 C ATOM 1703 C GLU A 104 3.482 -5.950 0.193 1.00 0.00 C ATOM 1704 O GLU A 104 2.441 -6.594 0.084 1.00 0.00 O ATOM 1705 CB GLU A 104 3.086 -3.579 -0.490 1.00 0.00 C ATOM 1706 CG GLU A 104 2.992 -2.112 -0.101 1.00 0.00 C ATOM 1707 CD GLU A 104 1.747 -1.759 0.695 1.00 0.00 C ATOM 1708 OE1 GLU A 104 1.142 -2.645 1.355 1.00 0.00 O ATOM 1709 OE2 GLU A 104 1.366 -0.569 0.693 1.00 0.00 O ATOM 0 H GLU A 104 5.225 -3.390 0.744 1.00 0.00 H new ATOM 0 HA GLU A 104 2.685 -4.415 1.445 1.00 0.00 H new ATOM 0 HB2 GLU A 104 3.833 -3.690 -1.276 1.00 0.00 H new ATOM 0 HB3 GLU A 104 2.131 -3.896 -0.910 1.00 0.00 H new ATOM 0 HG2 GLU A 104 3.872 -1.846 0.484 1.00 0.00 H new ATOM 0 HG3 GLU A 104 3.016 -1.505 -1.006 1.00 0.00 H new ATOM 1716 N GLN A 105 4.676 -6.464 -0.084 1.00 0.00 N ATOM 1717 CA GLN A 105 4.813 -7.862 -0.472 1.00 0.00 C ATOM 1718 C GLN A 105 4.402 -8.767 0.679 1.00 0.00 C ATOM 1719 O GLN A 105 3.727 -9.775 0.473 1.00 0.00 O ATOM 1720 CB GLN A 105 6.241 -8.182 -0.911 1.00 0.00 C ATOM 1721 CG GLN A 105 6.660 -7.457 -2.178 1.00 0.00 C ATOM 1722 CD GLN A 105 7.956 -7.992 -2.751 1.00 0.00 C ATOM 1723 OE1 GLN A 105 8.819 -8.479 -2.021 1.00 0.00 O ATOM 1724 NE2 GLN A 105 8.097 -7.920 -4.065 1.00 0.00 N ATOM 0 H GLN A 105 5.551 -5.941 -0.048 1.00 0.00 H new ATOM 0 HA GLN A 105 4.154 -8.041 -1.322 1.00 0.00 H new ATOM 0 HB2 GLN A 105 6.928 -7.919 -0.107 1.00 0.00 H new ATOM 0 HB3 GLN A 105 6.332 -9.257 -1.069 1.00 0.00 H new ATOM 0 HG2 GLN A 105 5.871 -7.550 -2.924 1.00 0.00 H new ATOM 0 HG3 GLN A 105 6.772 -6.394 -1.964 1.00 0.00 H new ATOM 0 HE21 GLN A 105 7.358 -7.509 -4.635 1.00 0.00 H new ATOM 0 HE22 GLN A 105 8.945 -8.276 -4.507 1.00 0.00 H new ATOM 1733 N ARG A 106 4.793 -8.386 1.893 1.00 0.00 N ATOM 1734 CA ARG A 106 4.388 -9.116 3.090 1.00 0.00 C ATOM 1735 C ARG A 106 2.875 -9.069 3.241 1.00 0.00 C ATOM 1736 O ARG A 106 2.249 -10.030 3.693 1.00 0.00 O ATOM 1737 CB ARG A 106 5.029 -8.522 4.343 1.00 0.00 C ATOM 1738 CG ARG A 106 6.541 -8.633 4.391 1.00 0.00 C ATOM 1739 CD ARG A 106 7.061 -8.164 5.736 1.00 0.00 C ATOM 1740 NE ARG A 106 8.512 -8.257 5.841 1.00 0.00 N ATOM 1741 CZ ARG A 106 9.142 -8.813 6.871 1.00 0.00 C ATOM 1742 NH1 ARG A 106 8.446 -9.425 7.823 1.00 0.00 N ATOM 1743 NH2 ARG A 106 10.468 -8.784 6.933 1.00 0.00 N ATOM 0 H ARG A 106 5.389 -7.578 2.073 1.00 0.00 H new ATOM 0 HA ARG A 106 4.722 -10.148 2.979 1.00 0.00 H new ATOM 0 HB2 ARG A 106 4.752 -7.470 4.413 1.00 0.00 H new ATOM 0 HB3 ARG A 106 4.613 -9.020 5.219 1.00 0.00 H new ATOM 0 HG2 ARG A 106 6.842 -9.666 4.217 1.00 0.00 H new ATOM 0 HG3 ARG A 106 6.982 -8.034 3.594 1.00 0.00 H new ATOM 0 HD2 ARG A 106 6.754 -7.131 5.899 1.00 0.00 H new ATOM 0 HD3 ARG A 106 6.605 -8.761 6.526 1.00 0.00 H new ATOM 0 HE ARG A 106 9.075 -7.874 5.082 1.00 0.00 H new ATOM 0 HH11 ARG A 106 7.429 -9.468 7.763 1.00 0.00 H new ATOM 0 HH12 ARG A 106 8.929 -9.852 8.614 1.00 0.00 H new ATOM 0 HH21 ARG A 106 11.004 -8.335 6.190 1.00 0.00 H new ATOM 0 HH22 ARG A 106 10.951 -9.211 7.724 1.00 0.00 H new ATOM 1757 N HIS A 107 2.298 -7.935 2.862 1.00 0.00 N ATOM 1758 CA HIS A 107 0.857 -7.760 2.906 1.00 0.00 C ATOM 1759 C HIS A 107 0.186 -8.797 2.011 1.00 0.00 C ATOM 1760 O HIS A 107 -0.713 -9.515 2.440 1.00 0.00 O ATOM 1761 CB HIS A 107 0.460 -6.346 2.464 1.00 0.00 C ATOM 1762 CG HIS A 107 0.812 -5.280 3.457 1.00 0.00 C ATOM 1763 ND1 HIS A 107 0.130 -4.085 3.591 1.00 0.00 N ATOM 1764 CD2 HIS A 107 1.791 -5.262 4.394 1.00 0.00 C ATOM 1765 CE1 HIS A 107 0.703 -3.403 4.594 1.00 0.00 C ATOM 1766 NE2 HIS A 107 1.724 -4.069 5.111 1.00 0.00 N ATOM 0 H HIS A 107 2.811 -7.122 2.520 1.00 0.00 H new ATOM 0 HA HIS A 107 0.524 -7.898 3.935 1.00 0.00 H new ATOM 0 HB2 HIS A 107 0.948 -6.121 1.516 1.00 0.00 H new ATOM 0 HB3 HIS A 107 -0.615 -6.320 2.283 1.00 0.00 H new ATOM 0 HD1 HIS A 107 -0.664 -3.778 3.030 1.00 0.00 H new ATOM 0 HD2 HIS A 107 2.511 -6.050 4.559 1.00 0.00 H new ATOM 0 HE1 HIS A 107 0.373 -2.433 4.937 1.00 0.00 H new ATOM 1773 N VAL A 108 0.674 -8.892 0.774 1.00 0.00 N ATOM 1774 CA VAL A 108 0.140 -9.832 -0.208 1.00 0.00 C ATOM 1775 C VAL A 108 0.236 -11.277 0.286 1.00 0.00 C ATOM 1776 O VAL A 108 -0.678 -12.075 0.055 1.00 0.00 O ATOM 1777 CB VAL A 108 0.870 -9.703 -1.567 1.00 0.00 C ATOM 1778 CG1 VAL A 108 0.301 -10.681 -2.586 1.00 0.00 C ATOM 1779 CG2 VAL A 108 0.777 -8.276 -2.091 1.00 0.00 C ATOM 0 H VAL A 108 1.446 -8.323 0.427 1.00 0.00 H new ATOM 0 HA VAL A 108 -0.911 -9.578 -0.345 1.00 0.00 H new ATOM 0 HB VAL A 108 1.920 -9.948 -1.410 1.00 0.00 H new ATOM 0 HG11 VAL A 108 0.831 -10.570 -3.532 1.00 0.00 H new ATOM 0 HG12 VAL A 108 0.422 -11.700 -2.219 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -0.758 -10.474 -2.737 1.00 0.00 H new ATOM 0 HG21 VAL A 108 1.296 -8.205 -3.047 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -0.270 -8.005 -2.226 1.00 0.00 H new ATOM 0 HG23 VAL A 108 1.239 -7.595 -1.376 1.00 0.00 H new ATOM 1789 N GLU A 109 1.330 -11.601 0.978 1.00 0.00 N ATOM 1790 CA GLU A 109 1.532 -12.947 1.510 1.00 0.00 C ATOM 1791 C GLU A 109 0.388 -13.332 2.444 1.00 0.00 C ATOM 1792 O GLU A 109 -0.189 -14.410 2.325 1.00 0.00 O ATOM 1793 CB GLU A 109 2.857 -13.033 2.279 1.00 0.00 C ATOM 1794 CG GLU A 109 4.097 -12.739 1.449 1.00 0.00 C ATOM 1795 CD GLU A 109 5.374 -12.880 2.255 1.00 0.00 C ATOM 1796 OE1 GLU A 109 5.813 -11.885 2.869 1.00 0.00 O ATOM 1797 OE2 GLU A 109 5.938 -13.994 2.289 1.00 0.00 O ATOM 0 H GLU A 109 2.088 -10.950 1.182 1.00 0.00 H new ATOM 0 HA GLU A 109 1.559 -13.637 0.667 1.00 0.00 H new ATOM 0 HB2 GLU A 109 2.822 -12.334 3.114 1.00 0.00 H new ATOM 0 HB3 GLU A 109 2.950 -14.032 2.704 1.00 0.00 H new ATOM 0 HG2 GLU A 109 4.131 -13.418 0.597 1.00 0.00 H new ATOM 0 HG3 GLU A 109 4.032 -11.727 1.048 1.00 0.00 H new ATOM 1804 N GLU A 110 0.060 -12.436 3.363 1.00 0.00 N ATOM 1805 CA GLU A 110 -1.018 -12.677 4.311 1.00 0.00 C ATOM 1806 C GLU A 110 -2.387 -12.619 3.641 1.00 0.00 C ATOM 1807 O GLU A 110 -3.282 -13.398 3.975 1.00 0.00 O ATOM 1808 CB GLU A 110 -0.942 -11.679 5.463 1.00 0.00 C ATOM 1809 CG GLU A 110 0.103 -12.040 6.505 1.00 0.00 C ATOM 1810 CD GLU A 110 -0.176 -13.377 7.170 1.00 0.00 C ATOM 1811 OE1 GLU A 110 -0.987 -13.417 8.121 1.00 0.00 O ATOM 1812 OE2 GLU A 110 0.418 -14.393 6.754 1.00 0.00 O ATOM 0 H GLU A 110 0.525 -11.535 3.473 1.00 0.00 H new ATOM 0 HA GLU A 110 -0.892 -13.685 4.706 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -0.719 -10.690 5.063 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -1.918 -11.616 5.944 1.00 0.00 H new ATOM 0 HG2 GLU A 110 1.086 -12.070 6.034 1.00 0.00 H new ATOM 0 HG3 GLU A 110 0.138 -11.260 7.265 1.00 0.00 H new ATOM 1819 N ILE A 111 -2.549 -11.697 2.699 1.00 0.00 N ATOM 1820 CA ILE A 111 -3.819 -11.536 2.001 1.00 0.00 C ATOM 1821 C ILE A 111 -4.176 -12.797 1.219 1.00 0.00 C ATOM 1822 O ILE A 111 -5.144 -13.479 1.546 1.00 0.00 O ATOM 1823 CB ILE A 111 -3.801 -10.324 1.040 1.00 0.00 C ATOM 1824 CG1 ILE A 111 -3.565 -9.020 1.809 1.00 0.00 C ATOM 1825 CG2 ILE A 111 -5.101 -10.238 0.249 1.00 0.00 C ATOM 1826 CD1 ILE A 111 -4.613 -8.725 2.862 1.00 0.00 C ATOM 0 H ILE A 111 -1.818 -11.051 2.401 1.00 0.00 H new ATOM 0 HA ILE A 111 -4.576 -11.357 2.765 1.00 0.00 H new ATOM 0 HB ILE A 111 -2.978 -10.468 0.340 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -2.587 -9.065 2.288 1.00 0.00 H new ATOM 0 HG13 ILE A 111 -3.535 -8.193 1.100 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -5.064 -9.378 -0.419 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -5.231 -11.148 -0.337 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -5.939 -10.127 0.937 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -4.374 -7.786 3.361 1.00 0.00 H new ATOM 0 HD12 ILE A 111 -5.592 -8.646 2.389 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -4.629 -9.531 3.595 1.00 0.00 H new ATOM 1838 N GLU A 112 -3.379 -13.115 0.202 1.00 0.00 N ATOM 1839 CA GLU A 112 -3.655 -14.239 -0.666 1.00 0.00 C ATOM 1840 C GLU A 112 -2.397 -15.048 -0.941 1.00 0.00 C ATOM 1841 O GLU A 112 -1.746 -14.883 -1.972 1.00 0.00 O ATOM 1842 CB GLU A 112 -4.251 -13.741 -1.975 1.00 0.00 C ATOM 1843 CG GLU A 112 -5.738 -13.476 -1.899 1.00 0.00 C ATOM 1844 CD GLU A 112 -6.557 -14.748 -1.989 1.00 0.00 C ATOM 1845 OE1 GLU A 112 -6.688 -15.458 -0.970 1.00 0.00 O ATOM 1846 OE2 GLU A 112 -7.064 -15.053 -3.091 1.00 0.00 O ATOM 0 H GLU A 112 -2.531 -12.600 -0.036 1.00 0.00 H new ATOM 0 HA GLU A 112 -4.369 -14.891 -0.163 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -3.741 -12.824 -2.271 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -4.061 -14.478 -2.755 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -5.966 -12.966 -0.963 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -6.026 -12.804 -2.707 1.00 0.00 H new ATOM 1853 N LYS A 113 -2.052 -15.912 -0.005 1.00 0.00 N ATOM 1854 CA LYS A 113 -0.934 -16.831 -0.186 1.00 0.00 C ATOM 1855 C LYS A 113 -1.350 -18.044 -1.017 1.00 0.00 C ATOM 1856 O LYS A 113 -0.573 -18.980 -1.205 1.00 0.00 O ATOM 1857 CB LYS A 113 -0.364 -17.260 1.172 1.00 0.00 C ATOM 1858 CG LYS A 113 -1.398 -17.789 2.154 1.00 0.00 C ATOM 1859 CD LYS A 113 -0.826 -17.848 3.564 1.00 0.00 C ATOM 1860 CE LYS A 113 -1.847 -18.342 4.579 1.00 0.00 C ATOM 1861 NZ LYS A 113 -2.060 -19.812 4.503 1.00 0.00 N ATOM 0 H LYS A 113 -2.529 -16.000 0.892 1.00 0.00 H new ATOM 0 HA LYS A 113 -0.149 -16.309 -0.734 1.00 0.00 H new ATOM 0 HB2 LYS A 113 0.390 -18.030 1.008 1.00 0.00 H new ATOM 0 HB3 LYS A 113 0.144 -16.408 1.624 1.00 0.00 H new ATOM 0 HG2 LYS A 113 -2.279 -17.148 2.141 1.00 0.00 H new ATOM 0 HG3 LYS A 113 -1.722 -18.783 1.847 1.00 0.00 H new ATOM 0 HD2 LYS A 113 0.042 -18.507 3.575 1.00 0.00 H new ATOM 0 HD3 LYS A 113 -0.478 -16.857 3.855 1.00 0.00 H new ATOM 0 HE2 LYS A 113 -1.514 -18.078 5.583 1.00 0.00 H new ATOM 0 HE3 LYS A 113 -2.796 -17.832 4.413 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 -2.763 -20.098 5.214 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 -2.404 -20.064 3.554 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 -1.162 -20.303 4.688 1.00 0.00 H new ATOM 1875 N LYS A 114 -2.582 -18.014 -1.517 1.00 0.00 N ATOM 1876 CA LYS A 114 -3.077 -19.060 -2.405 1.00 0.00 C ATOM 1877 C LYS A 114 -3.017 -18.596 -3.857 1.00 0.00 C ATOM 1878 O LYS A 114 -3.004 -19.412 -4.777 1.00 0.00 O ATOM 1879 CB LYS A 114 -4.520 -19.434 -2.058 1.00 0.00 C ATOM 1880 CG LYS A 114 -4.717 -19.933 -0.635 1.00 0.00 C ATOM 1881 CD LYS A 114 -6.148 -20.398 -0.420 1.00 0.00 C ATOM 1882 CE LYS A 114 -6.394 -20.843 1.013 1.00 0.00 C ATOM 1883 NZ LYS A 114 -7.743 -21.445 1.181 1.00 0.00 N ATOM 0 H LYS A 114 -3.257 -17.275 -1.321 1.00 0.00 H new ATOM 0 HA LYS A 114 -2.441 -19.936 -2.274 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -5.156 -18.563 -2.215 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -4.859 -20.205 -2.750 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -4.029 -20.754 -0.434 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -4.478 -19.137 0.071 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -6.834 -19.589 -0.671 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -6.367 -21.223 -1.098 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -5.634 -21.568 1.304 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -6.292 -19.988 1.682 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -7.873 -21.736 2.171 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -8.469 -20.745 0.928 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -7.832 -22.276 0.562 1.00 0.00 H new ATOM 1897 N ASN A 115 -2.979 -17.280 -4.050 1.00 0.00 N ATOM 1898 CA ASN A 115 -3.006 -16.692 -5.385 1.00 0.00 C ATOM 1899 C ASN A 115 -1.714 -17.000 -6.127 1.00 0.00 C ATOM 1900 O ASN A 115 -1.721 -17.894 -7.000 1.00 0.00 O ATOM 1901 CB ASN A 115 -3.215 -15.176 -5.292 1.00 0.00 C ATOM 1902 CG ASN A 115 -3.287 -14.499 -6.651 1.00 0.00 C ATOM 1903 OD1 ASN A 115 -2.269 -14.103 -7.223 1.00 0.00 O ATOM 1904 ND2 ASN A 115 -4.495 -14.333 -7.166 1.00 0.00 N ATOM 1905 OXT ASN A 115 -0.683 -16.375 -5.808 1.00 0.00 O ATOM 0 H ASN A 115 -2.929 -16.598 -3.293 1.00 0.00 H new ATOM 0 HA ASN A 115 -3.837 -17.128 -5.940 1.00 0.00 H new ATOM 0 HB2 ASN A 115 -4.135 -14.975 -4.744 1.00 0.00 H new ATOM 0 HB3 ASN A 115 -2.399 -14.737 -4.717 1.00 0.00 H new ATOM 0 HD21 ASN A 115 -4.606 -13.864 -8.065 1.00 0.00 H new ATOM 0 HD22 ASN A 115 -5.315 -14.674 -6.664 1.00 0.00 H new TER 1912 ASN A 115 HETATM 1913 ZN ZN A 500 3.409 -2.321 5.547 1.00 0.00 ZN HETATM 1914 ZN ZN A 501 0.801 0.787 1.328 1.00 0.00 ZN HETATM 1915 ZN ZN A 502 -0.407 -2.921 1.724 1.00 0.00 ZN