USER MOD reduce.3.24.130724 H: found=0, std=0, add=934, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 934 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 35 ASN : amide:sc= -3.02! K(o=-7.8!,f=-6.3) USER MOD Set 1.2: A 38 GLN : amide:sc= -4.79! C(o=-7.8!,f=-12!) USER MOD Single : A 1 LYS N :NH3+ 140:sc= -0.134 (180deg=-1.16) USER MOD Single : A 1 LYS NZ :NH3+ -155:sc= -1.42 (180deg=-2.2) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 180:sc= -0.216 USER MOD Single : A 11 LYS NZ :NH3+ 179:sc= 0.136 (180deg=0.136) USER MOD Single : A 13 GLN : amide:sc= -0.592 K(o=-0.59,f=-0.0048) USER MOD Single : A 14 GLN : amide:sc= -0.131 X(o=-0.13,f=0) USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ -151:sc= -1.41 (180deg=-2.22) USER MOD Single : A 28 SER OG : rot 86:sc= 0.802 USER MOD Single : A 29 GLN : amide:sc= -0.0447 X(o=-0.045,f=-0.045) USER MOD Single : A 31 MET CE :methyl 179:sc= 0 (180deg=-0.00152) USER MOD Single : A 33 THR OG1 : rot 4:sc= 0.912 USER MOD Single : A 39 CYS SG : rot 169:sc= -6.77! USER MOD Single : A 44 ASN : amide:sc= -2.33 K(o=-2.3,f=-4.1!) USER MOD Single : A 45 ASN : amide:sc= -11! C(o=-11!,f=-9.8!) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -3.09 K(o=-3.1,f=-0.69) USER MOD Single : A 53 THR OG1 : rot -25:sc= 0.558 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 62 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 66 GLN : amide:sc= -0.0953 X(o=-0.095,f=-0.11) USER MOD Single : A 67 LYS NZ :NH3+ 147:sc= 2.13 (180deg=0.492) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 161:sc= -0.0629 (180deg=-0.704) USER MOD Single : A 76 ASN : amide:sc= -2.57 K(o=-2.6,f=-13!) USER MOD Single : A 77 LYS NZ :NH3+ 127:sc= -0.0971 (180deg=-0.702) USER MOD Single : A 79 SER OG : rot -93:sc= 0.0201 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 ASN : amide:sc= -3.63! K(o=-3.6!,f=-0.69) USER MOD Single : A 86 SER OG : rot 64:sc= 0.838 USER MOD Single : A 88 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 89 ASN : amide:sc= -2.38! C(o=-2.4!,f=-2.6!) USER MOD Single : A 92 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 95 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 96 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 100 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 HIS : no HD1:sc= -0.162 X(o=-0.16,f=0) USER MOD Single : A 105 GLN : amide:sc= -0.694 X(o=-0.69,f=-0.28) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 SER OG : rot 110:sc= 0.0769 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -1.085 9.746 -2.165 1.00 0.00 N ATOM 2 CA LYS A 1 -1.713 8.591 -1.462 1.00 0.00 C ATOM 3 C LYS A 1 -3.228 8.627 -1.674 1.00 0.00 C ATOM 4 O LYS A 1 -3.747 9.480 -2.366 1.00 0.00 O ATOM 5 CB LYS A 1 -1.403 8.677 0.037 1.00 0.00 C ATOM 6 CG LYS A 1 -1.982 9.977 0.608 1.00 0.00 C ATOM 7 CD LYS A 1 -1.410 10.232 2.009 1.00 0.00 C ATOM 8 CE LYS A 1 -1.670 9.019 2.910 1.00 0.00 C ATOM 9 NZ LYS A 1 -3.045 8.498 2.663 1.00 0.00 N ATOM 0 H1 LYS A 1 -0.326 10.141 -1.574 1.00 0.00 H new ATOM 0 H2 LYS A 1 -0.687 9.426 -3.071 1.00 0.00 H new ATOM 0 H3 LYS A 1 -1.803 10.477 -2.341 1.00 0.00 H new ATOM 0 HA LYS A 1 -1.313 7.660 -1.863 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -1.829 7.818 0.557 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -0.325 8.645 0.198 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -1.742 10.812 -0.050 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -3.069 9.911 0.656 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -0.339 10.424 1.944 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -1.868 11.122 2.441 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -0.934 8.240 2.710 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -1.560 9.301 3.957 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -3.381 7.992 3.507 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -3.685 9.291 2.457 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -3.029 7.847 1.852 1.00 0.00 H new ATOM 25 N VAL A 2 -3.941 7.704 -1.087 1.00 0.00 N ATOM 26 CA VAL A 2 -5.420 7.683 -1.256 1.00 0.00 C ATOM 27 C VAL A 2 -6.051 8.810 -0.443 1.00 0.00 C ATOM 28 O VAL A 2 -5.375 9.577 0.211 1.00 0.00 O ATOM 29 CB VAL A 2 -5.983 6.348 -0.779 1.00 0.00 C ATOM 30 CG1 VAL A 2 -5.396 5.217 -1.619 1.00 0.00 C ATOM 31 CG2 VAL A 2 -5.626 6.141 0.694 1.00 0.00 C ATOM 0 H VAL A 2 -3.561 6.963 -0.497 1.00 0.00 H new ATOM 0 HA VAL A 2 -5.652 7.818 -2.312 1.00 0.00 H new ATOM 0 HB VAL A 2 -7.067 6.349 -0.889 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -5.799 4.263 -1.278 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -5.658 5.368 -2.666 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -4.311 5.211 -1.514 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -6.028 5.187 1.035 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -4.542 6.140 0.809 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -6.053 6.948 1.289 1.00 0.00 H new ATOM 41 N LYS A 3 -7.350 8.909 -0.488 1.00 0.00 N ATOM 42 CA LYS A 3 -8.062 9.984 0.273 1.00 0.00 C ATOM 43 C LYS A 3 -8.488 9.442 1.641 1.00 0.00 C ATOM 44 O LYS A 3 -8.245 10.052 2.663 1.00 0.00 O ATOM 45 CB LYS A 3 -9.311 10.421 -0.502 1.00 0.00 C ATOM 46 CG LYS A 3 -8.935 10.869 -1.927 1.00 0.00 C ATOM 47 CD LYS A 3 -8.293 12.265 -1.904 1.00 0.00 C ATOM 48 CE LYS A 3 -8.188 12.801 -3.334 1.00 0.00 C ATOM 49 NZ LYS A 3 -7.645 14.188 -3.306 1.00 0.00 N ATOM 0 H LYS A 3 -7.957 8.288 -1.023 1.00 0.00 H new ATOM 0 HA LYS A 3 -7.394 10.836 0.404 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -10.023 9.597 -0.550 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -9.805 11.238 0.024 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -8.243 10.152 -2.369 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -9.825 10.882 -2.556 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -8.890 12.942 -1.293 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -7.304 12.215 -1.449 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -7.540 12.157 -3.928 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -9.169 12.792 -3.810 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -7.574 14.553 -4.277 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -8.280 14.798 -2.753 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -6.702 14.183 -2.868 1.00 0.00 H new ATOM 63 N PHE A 4 -9.126 8.304 1.667 1.00 0.00 N ATOM 64 CA PHE A 4 -9.571 7.730 2.969 1.00 0.00 C ATOM 65 C PHE A 4 -8.358 7.427 3.850 1.00 0.00 C ATOM 66 O PHE A 4 -7.242 7.327 3.382 1.00 0.00 O ATOM 67 CB PHE A 4 -10.383 6.455 2.749 1.00 0.00 C ATOM 68 CG PHE A 4 -9.686 5.538 1.776 1.00 0.00 C ATOM 69 CD1 PHE A 4 -9.926 5.673 0.407 1.00 0.00 C ATOM 70 CD2 PHE A 4 -8.816 4.541 2.240 1.00 0.00 C ATOM 71 CE1 PHE A 4 -9.300 4.818 -0.502 1.00 0.00 C ATOM 72 CE2 PHE A 4 -8.189 3.681 1.328 1.00 0.00 C ATOM 73 CZ PHE A 4 -8.433 3.823 -0.045 1.00 0.00 C ATOM 0 H PHE A 4 -9.358 7.747 0.844 1.00 0.00 H new ATOM 0 HA PHE A 4 -10.205 8.463 3.468 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -10.527 5.942 3.700 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -11.373 6.710 2.371 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -10.597 6.440 0.051 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -8.629 4.436 3.299 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -9.486 4.926 -1.560 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -7.520 2.911 1.682 1.00 0.00 H new ATOM 0 HZ PHE A 4 -7.950 3.162 -0.750 1.00 0.00 H new ATOM 83 N THR A 5 -8.575 7.288 5.136 1.00 0.00 N ATOM 84 CA THR A 5 -7.448 6.998 6.071 1.00 0.00 C ATOM 85 C THR A 5 -7.288 5.495 6.235 1.00 0.00 C ATOM 86 O THR A 5 -8.179 4.718 5.946 1.00 0.00 O ATOM 87 CB THR A 5 -7.713 7.624 7.437 1.00 0.00 C ATOM 88 OG1 THR A 5 -6.729 7.175 8.358 1.00 0.00 O ATOM 89 CG2 THR A 5 -9.094 7.213 7.932 1.00 0.00 C ATOM 0 H THR A 5 -9.491 7.364 5.578 1.00 0.00 H new ATOM 0 HA THR A 5 -6.536 7.424 5.653 1.00 0.00 H new ATOM 0 HB THR A 5 -7.669 8.710 7.352 1.00 0.00 H new ATOM 0 HG1 THR A 5 -6.895 7.577 9.236 1.00 0.00 H new ATOM 0 HG21 THR A 5 -9.279 7.662 8.908 1.00 0.00 H new ATOM 0 HG22 THR A 5 -9.850 7.555 7.226 1.00 0.00 H new ATOM 0 HG23 THR A 5 -9.142 6.127 8.017 1.00 0.00 H new ATOM 97 N GLU A 6 -6.149 5.087 6.696 1.00 0.00 N ATOM 98 CA GLU A 6 -5.889 3.633 6.892 1.00 0.00 C ATOM 99 C GLU A 6 -7.070 2.982 7.620 1.00 0.00 C ATOM 100 O GLU A 6 -7.461 1.880 7.306 1.00 0.00 O ATOM 101 CB GLU A 6 -4.613 3.451 7.720 1.00 0.00 C ATOM 102 CG GLU A 6 -4.770 4.153 9.073 1.00 0.00 C ATOM 103 CD GLU A 6 -3.414 4.214 9.780 1.00 0.00 C ATOM 104 OE1 GLU A 6 -2.668 5.141 9.509 1.00 0.00 O ATOM 105 OE2 GLU A 6 -3.145 3.334 10.580 1.00 0.00 O ATOM 0 H GLU A 6 -5.375 5.701 6.950 1.00 0.00 H new ATOM 0 HA GLU A 6 -5.766 3.157 5.919 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -4.414 2.390 7.871 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -3.758 3.862 7.183 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -5.162 5.160 8.928 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -5.490 3.617 9.691 1.00 0.00 H new ATOM 112 N GLU A 7 -7.641 3.657 8.587 1.00 0.00 N ATOM 113 CA GLU A 7 -8.796 3.069 9.335 1.00 0.00 C ATOM 114 C GLU A 7 -9.844 2.535 8.348 1.00 0.00 C ATOM 115 O GLU A 7 -10.424 1.480 8.544 1.00 0.00 O ATOM 116 CB GLU A 7 -9.431 4.137 10.239 1.00 0.00 C ATOM 117 CG GLU A 7 -8.331 4.960 10.918 1.00 0.00 C ATOM 118 CD GLU A 7 -8.941 5.815 12.031 1.00 0.00 C ATOM 119 OE1 GLU A 7 -9.493 6.858 11.715 1.00 0.00 O ATOM 120 OE2 GLU A 7 -8.847 5.414 13.179 1.00 0.00 O ATOM 0 H GLU A 7 -7.358 4.589 8.891 1.00 0.00 H new ATOM 0 HA GLU A 7 -8.436 2.246 9.952 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -10.075 4.789 9.650 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -10.061 3.662 10.992 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -7.570 4.298 11.330 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -7.836 5.598 10.186 1.00 0.00 H new ATOM 127 N GLU A 8 -10.091 3.241 7.279 1.00 0.00 N ATOM 128 CA GLU A 8 -11.090 2.740 6.304 1.00 0.00 C ATOM 129 C GLU A 8 -10.504 1.513 5.614 1.00 0.00 C ATOM 130 O GLU A 8 -11.173 0.519 5.429 1.00 0.00 O ATOM 131 CB GLU A 8 -11.418 3.817 5.272 1.00 0.00 C ATOM 132 CG GLU A 8 -11.715 5.162 5.969 1.00 0.00 C ATOM 133 CD GLU A 8 -12.666 4.962 7.156 1.00 0.00 C ATOM 134 OE1 GLU A 8 -13.862 4.891 6.925 1.00 0.00 O ATOM 135 OE2 GLU A 8 -12.180 4.884 8.273 1.00 0.00 O ATOM 0 H GLU A 8 -9.650 4.130 7.044 1.00 0.00 H new ATOM 0 HA GLU A 8 -12.014 2.479 6.820 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -10.582 3.935 4.583 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -12.279 3.510 4.679 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -10.784 5.611 6.315 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -12.158 5.857 5.255 1.00 0.00 H new ATOM 142 N ASP A 9 -9.245 1.570 5.251 1.00 0.00 N ATOM 143 CA ASP A 9 -8.597 0.390 4.591 1.00 0.00 C ATOM 144 C ASP A 9 -8.951 -0.878 5.379 1.00 0.00 C ATOM 145 O ASP A 9 -9.032 -1.968 4.843 1.00 0.00 O ATOM 146 CB ASP A 9 -7.076 0.585 4.579 1.00 0.00 C ATOM 147 CG ASP A 9 -6.434 -0.431 3.634 1.00 0.00 C ATOM 148 OD1 ASP A 9 -6.244 -1.562 4.051 1.00 0.00 O ATOM 149 OD2 ASP A 9 -6.144 -0.061 2.510 1.00 0.00 O ATOM 0 H ASP A 9 -8.639 2.380 5.382 1.00 0.00 H new ATOM 0 HA ASP A 9 -8.954 0.295 3.565 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -6.832 1.598 4.259 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -6.676 0.463 5.586 1.00 0.00 H new ATOM 154 N LEU A 10 -9.195 -0.728 6.652 1.00 0.00 N ATOM 155 CA LEU A 10 -9.580 -1.903 7.481 1.00 0.00 C ATOM 156 C LEU A 10 -11.038 -2.229 7.159 1.00 0.00 C ATOM 157 O LEU A 10 -11.425 -3.377 7.032 1.00 0.00 O ATOM 158 CB LEU A 10 -9.425 -1.566 8.980 1.00 0.00 C ATOM 159 CG LEU A 10 -8.218 -0.648 9.183 1.00 0.00 C ATOM 160 CD1 LEU A 10 -8.024 -0.379 10.674 1.00 0.00 C ATOM 161 CD2 LEU A 10 -6.958 -1.304 8.605 1.00 0.00 C ATOM 0 H LEU A 10 -9.144 0.159 7.154 1.00 0.00 H new ATOM 0 HA LEU A 10 -8.940 -2.758 7.262 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -10.329 -1.080 9.348 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -9.298 -2.482 9.557 1.00 0.00 H new ATOM 0 HG LEU A 10 -8.395 0.295 8.666 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -7.164 0.275 10.817 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -8.916 0.101 11.076 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -7.854 -1.321 11.195 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -6.103 -0.644 8.754 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -6.777 -2.252 9.111 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -7.097 -1.483 7.539 1.00 0.00 H new ATOM 173 N LYS A 11 -11.847 -1.215 6.995 1.00 0.00 N ATOM 174 CA LYS A 11 -13.270 -1.464 6.648 1.00 0.00 C ATOM 175 C LYS A 11 -13.302 -2.236 5.333 1.00 0.00 C ATOM 176 O LYS A 11 -14.083 -3.145 5.156 1.00 0.00 O ATOM 177 CB LYS A 11 -14.018 -0.137 6.496 1.00 0.00 C ATOM 178 CG LYS A 11 -14.059 0.583 7.846 1.00 0.00 C ATOM 179 CD LYS A 11 -14.856 1.882 7.709 1.00 0.00 C ATOM 180 CE LYS A 11 -14.960 2.563 9.075 1.00 0.00 C ATOM 181 NZ LYS A 11 -15.887 3.727 8.981 1.00 0.00 N ATOM 0 H LYS A 11 -11.583 -0.234 7.086 1.00 0.00 H new ATOM 0 HA LYS A 11 -13.756 -2.037 7.438 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -13.523 0.489 5.753 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -15.031 -0.317 6.137 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -14.517 -0.059 8.599 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -13.046 0.800 8.185 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -14.369 2.547 6.996 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -15.852 1.671 7.319 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -15.323 1.855 9.820 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -13.975 2.895 9.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -15.971 4.180 9.913 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -15.514 4.414 8.295 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -16.824 3.400 8.669 1.00 0.00 H new ATOM 195 N LEU A 12 -12.435 -1.896 4.414 1.00 0.00 N ATOM 196 CA LEU A 12 -12.394 -2.627 3.122 1.00 0.00 C ATOM 197 C LEU A 12 -12.205 -4.113 3.422 1.00 0.00 C ATOM 198 O LEU A 12 -12.863 -4.952 2.866 1.00 0.00 O ATOM 199 CB LEU A 12 -11.211 -2.115 2.280 1.00 0.00 C ATOM 200 CG LEU A 12 -11.626 -0.894 1.451 1.00 0.00 C ATOM 201 CD1 LEU A 12 -12.048 0.241 2.383 1.00 0.00 C ATOM 202 CD2 LEU A 12 -10.439 -0.446 0.586 1.00 0.00 C ATOM 0 H LEU A 12 -11.755 -1.142 4.507 1.00 0.00 H new ATOM 0 HA LEU A 12 -13.318 -2.469 2.566 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -10.380 -1.852 2.934 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -10.858 -2.907 1.619 1.00 0.00 H new ATOM 0 HG LEU A 12 -12.467 -1.155 0.808 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -12.342 1.108 1.791 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -12.890 -0.084 2.994 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -11.213 0.510 3.030 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -10.728 0.422 -0.006 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -9.599 -0.184 1.229 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -10.147 -1.258 -0.080 1.00 0.00 H new ATOM 214 N GLN A 13 -11.314 -4.449 4.306 1.00 0.00 N ATOM 215 CA GLN A 13 -11.112 -5.895 4.611 1.00 0.00 C ATOM 216 C GLN A 13 -12.465 -6.529 4.960 1.00 0.00 C ATOM 217 O GLN A 13 -12.746 -7.653 4.598 1.00 0.00 O ATOM 218 CB GLN A 13 -10.161 -6.029 5.805 1.00 0.00 C ATOM 219 CG GLN A 13 -9.855 -7.506 6.072 1.00 0.00 C ATOM 220 CD GLN A 13 -8.933 -7.618 7.286 1.00 0.00 C ATOM 221 OE1 GLN A 13 -8.002 -8.399 7.289 1.00 0.00 O ATOM 222 NE2 GLN A 13 -9.156 -6.863 8.327 1.00 0.00 N ATOM 0 H GLN A 13 -10.723 -3.800 4.826 1.00 0.00 H new ATOM 0 HA GLN A 13 -10.684 -6.401 3.745 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -9.236 -5.488 5.605 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -10.610 -5.577 6.690 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -10.780 -8.054 6.251 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -9.382 -7.955 5.199 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -9.938 -6.208 8.324 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -8.549 -6.928 9.144 1.00 0.00 H new ATOM 231 N GLN A 14 -13.309 -5.813 5.651 1.00 0.00 N ATOM 232 CA GLN A 14 -14.646 -6.382 6.020 1.00 0.00 C ATOM 233 C GLN A 14 -15.643 -6.261 4.860 1.00 0.00 C ATOM 234 O GLN A 14 -16.239 -7.229 4.437 1.00 0.00 O ATOM 235 CB GLN A 14 -15.206 -5.623 7.214 1.00 0.00 C ATOM 236 CG GLN A 14 -14.174 -5.599 8.342 1.00 0.00 C ATOM 237 CD GLN A 14 -14.785 -4.939 9.580 1.00 0.00 C ATOM 238 OE1 GLN A 14 -14.981 -5.583 10.591 1.00 0.00 O ATOM 239 NE2 GLN A 14 -15.095 -3.672 9.542 1.00 0.00 N ATOM 0 H GLN A 14 -13.136 -4.862 5.977 1.00 0.00 H new ATOM 0 HA GLN A 14 -14.507 -7.436 6.260 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -15.463 -4.605 6.922 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -16.125 -6.097 7.559 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -13.855 -6.614 8.578 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -13.286 -5.051 8.025 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -14.930 -3.132 8.693 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -15.502 -3.222 10.362 1.00 0.00 H new ATOM 248 N LEU A 15 -15.852 -5.077 4.356 1.00 0.00 N ATOM 249 CA LEU A 15 -16.828 -4.905 3.244 1.00 0.00 C ATOM 250 C LEU A 15 -16.384 -5.768 2.064 1.00 0.00 C ATOM 251 O LEU A 15 -17.146 -6.545 1.524 1.00 0.00 O ATOM 252 CB LEU A 15 -16.877 -3.420 2.832 1.00 0.00 C ATOM 253 CG LEU A 15 -17.849 -2.650 3.736 1.00 0.00 C ATOM 254 CD1 LEU A 15 -17.421 -2.789 5.198 1.00 0.00 C ATOM 255 CD2 LEU A 15 -17.845 -1.171 3.345 1.00 0.00 C ATOM 0 H LEU A 15 -15.390 -4.222 4.665 1.00 0.00 H new ATOM 0 HA LEU A 15 -17.824 -5.213 3.563 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -15.881 -2.983 2.901 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -17.191 -3.334 1.792 1.00 0.00 H new ATOM 0 HG LEU A 15 -18.852 -3.060 3.614 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -18.115 -2.240 5.834 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -17.426 -3.842 5.480 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -16.417 -2.384 5.323 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -18.535 -0.623 3.987 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -16.840 -0.766 3.464 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -18.157 -1.069 2.306 1.00 0.00 H new ATOM 267 N VAL A 16 -15.155 -5.638 1.669 1.00 0.00 N ATOM 268 CA VAL A 16 -14.649 -6.445 0.532 1.00 0.00 C ATOM 269 C VAL A 16 -14.818 -7.926 0.860 1.00 0.00 C ATOM 270 O VAL A 16 -15.072 -8.732 -0.012 1.00 0.00 O ATOM 271 CB VAL A 16 -13.173 -6.129 0.287 1.00 0.00 C ATOM 272 CG1 VAL A 16 -12.699 -6.874 -0.959 1.00 0.00 C ATOM 273 CG2 VAL A 16 -12.994 -4.616 0.078 1.00 0.00 C ATOM 0 H VAL A 16 -14.474 -5.004 2.087 1.00 0.00 H new ATOM 0 HA VAL A 16 -15.212 -6.204 -0.369 1.00 0.00 H new ATOM 0 HB VAL A 16 -12.586 -6.444 1.150 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -11.647 -6.652 -1.138 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -12.823 -7.947 -0.811 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -13.288 -6.556 -1.819 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -11.941 -4.395 -0.096 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -13.579 -4.296 -0.784 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -13.335 -4.083 0.966 1.00 0.00 H new ATOM 283 N MET A 17 -14.699 -8.304 2.109 1.00 0.00 N ATOM 284 CA MET A 17 -14.880 -9.734 2.449 1.00 0.00 C ATOM 285 C MET A 17 -16.343 -10.105 2.188 1.00 0.00 C ATOM 286 O MET A 17 -16.656 -11.225 1.834 1.00 0.00 O ATOM 287 CB MET A 17 -14.517 -9.961 3.922 1.00 0.00 C ATOM 288 CG MET A 17 -14.919 -11.371 4.349 1.00 0.00 C ATOM 289 SD MET A 17 -14.145 -11.764 5.938 1.00 0.00 S ATOM 290 CE MET A 17 -14.127 -13.563 5.744 1.00 0.00 C ATOM 0 H MET A 17 -14.487 -7.687 2.893 1.00 0.00 H new ATOM 0 HA MET A 17 -14.230 -10.361 1.838 1.00 0.00 H new ATOM 0 HB2 MET A 17 -13.446 -9.820 4.067 1.00 0.00 H new ATOM 0 HB3 MET A 17 -15.023 -9.225 4.547 1.00 0.00 H new ATOM 0 HG2 MET A 17 -16.003 -11.442 4.433 1.00 0.00 H new ATOM 0 HG3 MET A 17 -14.610 -12.093 3.593 1.00 0.00 H new ATOM 0 HE1 MET A 17 -13.682 -14.020 6.628 1.00 0.00 H new ATOM 0 HE2 MET A 17 -15.148 -13.926 5.623 1.00 0.00 H new ATOM 0 HE3 MET A 17 -13.541 -13.828 4.864 1.00 0.00 H new ATOM 300 N ARG A 18 -17.243 -9.168 2.351 1.00 0.00 N ATOM 301 CA ARG A 18 -18.684 -9.462 2.104 1.00 0.00 C ATOM 302 C ARG A 18 -18.963 -9.420 0.596 1.00 0.00 C ATOM 303 O ARG A 18 -19.813 -10.128 0.095 1.00 0.00 O ATOM 304 CB ARG A 18 -19.544 -8.410 2.808 1.00 0.00 C ATOM 305 CG ARG A 18 -21.018 -8.810 2.718 1.00 0.00 C ATOM 306 CD ARG A 18 -21.876 -7.768 3.436 1.00 0.00 C ATOM 307 NE ARG A 18 -23.318 -8.053 3.188 1.00 0.00 N ATOM 308 CZ ARG A 18 -24.224 -7.175 3.522 1.00 0.00 C ATOM 309 NH1 ARG A 18 -23.869 -6.046 4.072 1.00 0.00 N ATOM 310 NH2 ARG A 18 -25.487 -7.426 3.305 1.00 0.00 N ATOM 0 H ARG A 18 -17.040 -8.212 2.645 1.00 0.00 H new ATOM 0 HA ARG A 18 -18.925 -10.452 2.492 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -19.244 -8.320 3.852 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -19.393 -7.434 2.347 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -21.321 -8.889 1.674 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -21.167 -9.792 3.168 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -21.670 -7.787 4.506 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -21.626 -6.768 3.081 1.00 0.00 H new ATOM 0 HE ARG A 18 -23.597 -8.935 2.757 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -22.883 -5.849 4.241 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -24.578 -5.361 4.333 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -25.765 -8.308 2.875 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -26.195 -6.740 3.566 1.00 0.00 H new ATOM 324 N TYR A 19 -18.251 -8.594 -0.132 1.00 0.00 N ATOM 325 CA TYR A 19 -18.467 -8.498 -1.611 1.00 0.00 C ATOM 326 C TYR A 19 -17.455 -9.390 -2.329 1.00 0.00 C ATOM 327 O TYR A 19 -17.510 -9.570 -3.530 1.00 0.00 O ATOM 328 CB TYR A 19 -18.265 -7.046 -2.058 1.00 0.00 C ATOM 329 CG TYR A 19 -19.258 -6.155 -1.336 1.00 0.00 C ATOM 330 CD1 TYR A 19 -20.628 -6.302 -1.579 1.00 0.00 C ATOM 331 CD2 TYR A 19 -18.812 -5.190 -0.419 1.00 0.00 C ATOM 332 CE1 TYR A 19 -21.551 -5.493 -0.906 1.00 0.00 C ATOM 333 CE2 TYR A 19 -19.736 -4.380 0.251 1.00 0.00 C ATOM 334 CZ TYR A 19 -21.105 -4.532 0.008 1.00 0.00 C ATOM 335 OH TYR A 19 -22.016 -3.734 0.670 1.00 0.00 O ATOM 0 H TYR A 19 -17.526 -7.979 0.236 1.00 0.00 H new ATOM 0 HA TYR A 19 -19.479 -8.821 -1.855 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -17.246 -6.725 -1.840 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -18.402 -6.963 -3.136 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -20.974 -7.041 -2.287 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -17.755 -5.073 -0.230 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -22.608 -5.611 -1.092 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -19.392 -3.637 0.956 1.00 0.00 H new ATOM 0 HH TYR A 19 -21.540 -3.121 1.269 1.00 0.00 H new ATOM 345 N GLY A 20 -16.526 -9.945 -1.601 1.00 0.00 N ATOM 346 CA GLY A 20 -15.497 -10.822 -2.226 1.00 0.00 C ATOM 347 C GLY A 20 -14.391 -9.953 -2.816 1.00 0.00 C ATOM 348 O GLY A 20 -13.280 -9.942 -2.328 1.00 0.00 O ATOM 0 H GLY A 20 -16.435 -9.827 -0.592 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -15.083 -11.504 -1.483 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -15.949 -11.435 -3.005 1.00 0.00 H new ATOM 352 N ALA A 21 -14.707 -9.219 -3.857 1.00 0.00 N ATOM 353 CA ALA A 21 -13.712 -8.315 -4.528 1.00 0.00 C ATOM 354 C ALA A 21 -14.178 -8.051 -5.970 1.00 0.00 C ATOM 355 O ALA A 21 -13.428 -8.196 -6.914 1.00 0.00 O ATOM 356 CB ALA A 21 -12.307 -8.963 -4.543 1.00 0.00 C ATOM 0 H ALA A 21 -15.635 -9.207 -4.281 1.00 0.00 H new ATOM 0 HA ALA A 21 -13.649 -7.378 -3.975 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -11.602 -8.292 -5.033 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -11.980 -9.148 -3.520 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -12.347 -9.907 -5.087 1.00 0.00 H new ATOM 362 N LYS A 22 -15.418 -7.672 -6.156 1.00 0.00 N ATOM 363 CA LYS A 22 -15.912 -7.415 -7.550 1.00 0.00 C ATOM 364 C LYS A 22 -17.068 -6.399 -7.566 1.00 0.00 C ATOM 365 O LYS A 22 -17.464 -5.942 -8.621 1.00 0.00 O ATOM 366 CB LYS A 22 -16.387 -8.733 -8.163 1.00 0.00 C ATOM 367 CG LYS A 22 -17.609 -9.252 -7.396 1.00 0.00 C ATOM 368 CD LYS A 22 -17.893 -10.707 -7.789 1.00 0.00 C ATOM 369 CE LYS A 22 -18.060 -10.816 -9.310 1.00 0.00 C ATOM 370 NZ LYS A 22 -18.852 -9.657 -9.810 1.00 0.00 N ATOM 0 H LYS A 22 -16.104 -7.530 -5.415 1.00 0.00 H new ATOM 0 HA LYS A 22 -15.090 -6.996 -8.131 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -16.641 -8.586 -9.213 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -15.585 -9.470 -8.129 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -17.431 -9.184 -6.323 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -18.477 -8.631 -7.615 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -17.076 -11.348 -7.458 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -18.796 -11.058 -7.290 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -17.083 -10.837 -9.793 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -18.562 -11.749 -9.565 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -19.375 -9.936 -10.665 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -19.524 -9.354 -9.077 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -18.211 -8.871 -10.038 1.00 0.00 H new ATOM 384 N ASP A 23 -17.607 -6.029 -6.424 1.00 0.00 N ATOM 385 CA ASP A 23 -18.730 -5.032 -6.392 1.00 0.00 C ATOM 386 C ASP A 23 -18.189 -3.713 -5.843 1.00 0.00 C ATOM 387 O ASP A 23 -18.765 -3.107 -4.962 1.00 0.00 O ATOM 388 CB ASP A 23 -19.853 -5.551 -5.484 1.00 0.00 C ATOM 389 CG ASP A 23 -20.084 -7.038 -5.760 1.00 0.00 C ATOM 390 OD1 ASP A 23 -20.452 -7.362 -6.876 1.00 0.00 O ATOM 391 OD2 ASP A 23 -19.889 -7.827 -4.849 1.00 0.00 O ATOM 0 H ASP A 23 -17.316 -6.376 -5.510 1.00 0.00 H new ATOM 0 HA ASP A 23 -19.129 -4.882 -7.395 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -19.588 -5.401 -4.437 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -20.770 -4.990 -5.664 1.00 0.00 H new ATOM 396 N TRP A 24 -17.081 -3.271 -6.362 1.00 0.00 N ATOM 397 CA TRP A 24 -16.482 -1.998 -5.881 1.00 0.00 C ATOM 398 C TRP A 24 -17.430 -0.839 -6.182 1.00 0.00 C ATOM 399 O TRP A 24 -17.302 0.238 -5.634 1.00 0.00 O ATOM 400 CB TRP A 24 -15.143 -1.779 -6.583 1.00 0.00 C ATOM 401 CG TRP A 24 -14.249 -2.928 -6.267 1.00 0.00 C ATOM 402 CD1 TRP A 24 -14.014 -3.990 -7.071 1.00 0.00 C ATOM 403 CD2 TRP A 24 -13.481 -3.145 -5.063 1.00 0.00 C ATOM 404 NE1 TRP A 24 -13.139 -4.847 -6.426 1.00 0.00 N ATOM 405 CE2 TRP A 24 -12.781 -4.365 -5.180 1.00 0.00 C ATOM 406 CE3 TRP A 24 -13.329 -2.397 -3.893 1.00 0.00 C ATOM 407 CZ2 TRP A 24 -11.952 -4.827 -4.158 1.00 0.00 C ATOM 408 CZ3 TRP A 24 -12.500 -2.851 -2.864 1.00 0.00 C ATOM 409 CH2 TRP A 24 -11.810 -4.064 -2.994 1.00 0.00 C ATOM 0 H TRP A 24 -16.561 -3.740 -7.104 1.00 0.00 H new ATOM 0 HA TRP A 24 -16.320 -2.049 -4.804 1.00 0.00 H new ATOM 0 HB2 TRP A 24 -15.289 -1.698 -7.660 1.00 0.00 H new ATOM 0 HB3 TRP A 24 -14.690 -0.845 -6.252 1.00 0.00 H new ATOM 0 HD1 TRP A 24 -14.438 -4.144 -8.052 1.00 0.00 H new ATOM 0 HE1 TRP A 24 -12.800 -5.725 -6.820 1.00 0.00 H new ATOM 0 HE3 TRP A 24 -13.856 -1.461 -3.783 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 -11.425 -5.764 -4.264 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 -12.390 -2.264 -1.964 1.00 0.00 H new ATOM 0 HH2 TRP A 24 -11.169 -4.409 -2.196 1.00 0.00 H new ATOM 420 N ILE A 25 -18.393 -1.056 -7.032 1.00 0.00 N ATOM 421 CA ILE A 25 -19.360 0.025 -7.346 1.00 0.00 C ATOM 422 C ILE A 25 -20.269 0.209 -6.135 1.00 0.00 C ATOM 423 O ILE A 25 -20.714 1.296 -5.832 1.00 0.00 O ATOM 424 CB ILE A 25 -20.197 -0.363 -8.576 1.00 0.00 C ATOM 425 CG1 ILE A 25 -20.617 -1.835 -8.475 1.00 0.00 C ATOM 426 CG2 ILE A 25 -19.368 -0.164 -9.849 1.00 0.00 C ATOM 427 CD1 ILE A 25 -21.662 -2.142 -9.549 1.00 0.00 C ATOM 0 H ILE A 25 -18.551 -1.937 -7.522 1.00 0.00 H new ATOM 0 HA ILE A 25 -18.833 0.953 -7.568 1.00 0.00 H new ATOM 0 HB ILE A 25 -21.085 0.268 -8.614 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -19.749 -2.482 -8.602 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -21.026 -2.041 -7.486 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -19.965 -0.440 -10.719 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -19.071 0.882 -9.930 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -18.478 -0.792 -9.805 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -21.961 -3.188 -9.478 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -22.534 -1.505 -9.401 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -21.237 -1.953 -10.535 1.00 0.00 H new ATOM 439 N ARG A 26 -20.537 -0.857 -5.436 1.00 0.00 N ATOM 440 CA ARG A 26 -21.410 -0.774 -4.241 1.00 0.00 C ATOM 441 C ARG A 26 -20.599 -0.207 -3.086 1.00 0.00 C ATOM 442 O ARG A 26 -21.016 0.699 -2.394 1.00 0.00 O ATOM 443 CB ARG A 26 -21.897 -2.181 -3.885 1.00 0.00 C ATOM 444 CG ARG A 26 -22.856 -2.137 -2.683 1.00 0.00 C ATOM 445 CD ARG A 26 -24.099 -1.289 -3.009 1.00 0.00 C ATOM 446 NE ARG A 26 -25.253 -1.775 -2.201 1.00 0.00 N ATOM 447 CZ ARG A 26 -25.263 -1.606 -0.906 1.00 0.00 C ATOM 448 NH1 ARG A 26 -24.265 -1.005 -0.319 1.00 0.00 N ATOM 449 NH2 ARG A 26 -26.273 -2.036 -0.200 1.00 0.00 N ATOM 0 H ARG A 26 -20.183 -1.790 -5.646 1.00 0.00 H new ATOM 0 HA ARG A 26 -22.268 -0.131 -4.439 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -22.402 -2.624 -4.743 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -21.044 -2.818 -3.653 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -23.160 -3.149 -2.417 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -22.342 -1.720 -1.817 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -23.904 -0.239 -2.791 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -24.331 -1.356 -4.072 1.00 0.00 H new ATOM 0 HE ARG A 26 -26.036 -2.240 -2.660 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -23.477 -0.667 -0.871 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -24.273 -0.873 0.692 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -27.054 -2.504 -0.660 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -26.281 -1.904 0.811 1.00 0.00 H new ATOM 463 N ILE A 27 -19.433 -0.738 -2.875 1.00 0.00 N ATOM 464 CA ILE A 27 -18.590 -0.233 -1.769 1.00 0.00 C ATOM 465 C ILE A 27 -18.347 1.261 -1.968 1.00 0.00 C ATOM 466 O ILE A 27 -18.243 2.016 -1.022 1.00 0.00 O ATOM 467 CB ILE A 27 -17.250 -0.966 -1.764 1.00 0.00 C ATOM 468 CG1 ILE A 27 -17.498 -2.476 -1.664 1.00 0.00 C ATOM 469 CG2 ILE A 27 -16.426 -0.495 -0.563 1.00 0.00 C ATOM 470 CD1 ILE A 27 -16.179 -3.238 -1.839 1.00 0.00 C ATOM 0 H ILE A 27 -19.029 -1.499 -3.421 1.00 0.00 H new ATOM 0 HA ILE A 27 -19.097 -0.404 -0.819 1.00 0.00 H new ATOM 0 HB ILE A 27 -16.706 -0.752 -2.684 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -17.941 -2.717 -0.698 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -18.211 -2.787 -2.428 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -15.468 -1.014 -0.553 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -16.256 0.579 -0.637 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -16.967 -0.714 0.358 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -16.365 -4.309 -1.766 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -15.753 -3.009 -2.816 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -15.479 -2.938 -1.059 1.00 0.00 H new ATOM 482 N SER A 28 -18.248 1.692 -3.195 1.00 0.00 N ATOM 483 CA SER A 28 -18.004 3.140 -3.454 1.00 0.00 C ATOM 484 C SER A 28 -19.280 3.935 -3.184 1.00 0.00 C ATOM 485 O SER A 28 -19.232 5.093 -2.817 1.00 0.00 O ATOM 486 CB SER A 28 -17.575 3.335 -4.904 1.00 0.00 C ATOM 487 OG SER A 28 -16.290 2.762 -5.093 1.00 0.00 O ATOM 0 H SER A 28 -18.325 1.107 -4.027 1.00 0.00 H new ATOM 0 HA SER A 28 -17.214 3.495 -2.793 1.00 0.00 H new ATOM 0 HB2 SER A 28 -18.296 2.868 -5.575 1.00 0.00 H new ATOM 0 HB3 SER A 28 -17.552 4.397 -5.149 1.00 0.00 H new ATOM 0 HG SER A 28 -16.384 1.807 -5.292 1.00 0.00 H new ATOM 493 N GLN A 29 -20.424 3.330 -3.357 1.00 0.00 N ATOM 494 CA GLN A 29 -21.692 4.074 -3.100 1.00 0.00 C ATOM 495 C GLN A 29 -21.727 4.486 -1.626 1.00 0.00 C ATOM 496 O GLN A 29 -22.099 5.593 -1.290 1.00 0.00 O ATOM 497 CB GLN A 29 -22.901 3.182 -3.432 1.00 0.00 C ATOM 498 CG GLN A 29 -23.121 3.142 -4.957 1.00 0.00 C ATOM 499 CD GLN A 29 -23.868 4.400 -5.412 1.00 0.00 C ATOM 500 OE1 GLN A 29 -23.302 5.253 -6.066 1.00 0.00 O ATOM 501 NE2 GLN A 29 -25.123 4.552 -5.090 1.00 0.00 N ATOM 0 H GLN A 29 -20.536 2.363 -3.662 1.00 0.00 H new ATOM 0 HA GLN A 29 -21.737 4.962 -3.731 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -22.735 2.174 -3.053 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -23.793 3.565 -2.937 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -22.161 3.074 -5.469 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -23.691 2.253 -5.227 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -25.599 3.836 -4.541 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -25.628 5.387 -5.387 1.00 0.00 H new ATOM 510 N LEU A 30 -21.326 3.612 -0.747 1.00 0.00 N ATOM 511 CA LEU A 30 -21.322 3.969 0.699 1.00 0.00 C ATOM 512 C LEU A 30 -20.323 5.106 0.916 1.00 0.00 C ATOM 513 O LEU A 30 -20.628 6.108 1.533 1.00 0.00 O ATOM 514 CB LEU A 30 -20.905 2.753 1.534 1.00 0.00 C ATOM 515 CG LEU A 30 -21.684 1.513 1.079 1.00 0.00 C ATOM 516 CD1 LEU A 30 -21.257 0.314 1.930 1.00 0.00 C ATOM 517 CD2 LEU A 30 -23.193 1.754 1.243 1.00 0.00 C ATOM 0 H LEU A 30 -21.002 2.670 -0.965 1.00 0.00 H new ATOM 0 HA LEU A 30 -22.320 4.282 1.006 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -19.834 2.579 1.429 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -21.094 2.944 2.590 1.00 0.00 H new ATOM 0 HG LEU A 30 -21.471 1.313 0.029 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -21.807 -0.572 1.612 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -20.188 0.142 1.805 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -21.472 0.517 2.979 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -23.740 0.869 0.918 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -23.418 1.955 2.290 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -23.493 2.609 0.637 1.00 0.00 H new ATOM 529 N MET A 31 -19.127 4.952 0.399 1.00 0.00 N ATOM 530 CA MET A 31 -18.069 6.006 0.545 1.00 0.00 C ATOM 531 C MET A 31 -17.775 6.620 -0.824 1.00 0.00 C ATOM 532 O MET A 31 -16.719 6.426 -1.386 1.00 0.00 O ATOM 533 CB MET A 31 -16.794 5.364 1.094 1.00 0.00 C ATOM 534 CG MET A 31 -17.038 4.886 2.526 1.00 0.00 C ATOM 535 SD MET A 31 -15.515 4.172 3.194 1.00 0.00 S ATOM 536 CE MET A 31 -16.287 3.098 4.427 1.00 0.00 C ATOM 0 H MET A 31 -18.834 4.128 -0.126 1.00 0.00 H new ATOM 0 HA MET A 31 -18.415 6.782 1.228 1.00 0.00 H new ATOM 0 HB2 MET A 31 -16.497 4.525 0.465 1.00 0.00 H new ATOM 0 HB3 MET A 31 -15.975 6.083 1.074 1.00 0.00 H new ATOM 0 HG2 MET A 31 -17.364 5.720 3.148 1.00 0.00 H new ATOM 0 HG3 MET A 31 -17.837 4.145 2.542 1.00 0.00 H new ATOM 0 HE1 MET A 31 -15.516 2.538 4.956 1.00 0.00 H new ATOM 0 HE2 MET A 31 -16.847 3.705 5.138 1.00 0.00 H new ATOM 0 HE3 MET A 31 -16.964 2.403 3.931 1.00 0.00 H new ATOM 546 N ILE A 32 -18.701 7.361 -1.368 1.00 0.00 N ATOM 547 CA ILE A 32 -18.465 7.984 -2.703 1.00 0.00 C ATOM 548 C ILE A 32 -17.264 8.933 -2.623 1.00 0.00 C ATOM 549 O ILE A 32 -16.891 9.557 -3.596 1.00 0.00 O ATOM 550 CB ILE A 32 -19.717 8.759 -3.159 1.00 0.00 C ATOM 551 CG1 ILE A 32 -20.273 9.637 -2.017 1.00 0.00 C ATOM 552 CG2 ILE A 32 -20.801 7.765 -3.587 1.00 0.00 C ATOM 553 CD1 ILE A 32 -19.299 10.772 -1.663 1.00 0.00 C ATOM 0 H ILE A 32 -19.609 7.562 -0.948 1.00 0.00 H new ATOM 0 HA ILE A 32 -18.257 7.198 -3.429 1.00 0.00 H new ATOM 0 HB ILE A 32 -19.435 9.402 -3.993 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -21.234 10.058 -2.313 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -20.453 9.021 -1.136 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -21.688 8.310 -3.910 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -20.430 7.155 -4.411 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -21.057 7.122 -2.745 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -19.718 11.373 -0.856 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -18.347 10.348 -1.343 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -19.140 11.401 -2.539 1.00 0.00 H new ATOM 565 N THR A 33 -16.659 9.049 -1.471 1.00 0.00 N ATOM 566 CA THR A 33 -15.487 9.959 -1.334 1.00 0.00 C ATOM 567 C THR A 33 -14.281 9.361 -2.063 1.00 0.00 C ATOM 568 O THR A 33 -13.206 9.928 -2.066 1.00 0.00 O ATOM 569 CB THR A 33 -15.149 10.138 0.150 1.00 0.00 C ATOM 570 OG1 THR A 33 -13.853 10.705 0.272 1.00 0.00 O ATOM 571 CG2 THR A 33 -15.183 8.782 0.856 1.00 0.00 C ATOM 0 H THR A 33 -16.926 8.553 -0.620 1.00 0.00 H new ATOM 0 HA THR A 33 -15.730 10.927 -1.772 1.00 0.00 H new ATOM 0 HB THR A 33 -15.883 10.800 0.611 1.00 0.00 H new ATOM 0 HG1 THR A 33 -13.498 10.904 -0.619 1.00 0.00 H new ATOM 0 HG21 THR A 33 -14.942 8.915 1.911 1.00 0.00 H new ATOM 0 HG22 THR A 33 -16.179 8.348 0.763 1.00 0.00 H new ATOM 0 HG23 THR A 33 -14.453 8.115 0.398 1.00 0.00 H new ATOM 579 N ARG A 34 -14.447 8.220 -2.681 1.00 0.00 N ATOM 580 CA ARG A 34 -13.307 7.583 -3.415 1.00 0.00 C ATOM 581 C ARG A 34 -13.865 6.793 -4.597 1.00 0.00 C ATOM 582 O ARG A 34 -15.020 6.414 -4.607 1.00 0.00 O ATOM 583 CB ARG A 34 -12.558 6.645 -2.461 1.00 0.00 C ATOM 584 CG ARG A 34 -13.488 5.494 -2.014 1.00 0.00 C ATOM 585 CD ARG A 34 -13.071 4.980 -0.628 1.00 0.00 C ATOM 586 NE ARG A 34 -14.016 3.915 -0.188 1.00 0.00 N ATOM 587 CZ ARG A 34 -13.791 3.260 0.919 1.00 0.00 C ATOM 588 NH1 ARG A 34 -12.743 3.541 1.645 1.00 0.00 N ATOM 589 NH2 ARG A 34 -14.617 2.324 1.301 1.00 0.00 N ATOM 0 H ARG A 34 -15.324 7.699 -2.710 1.00 0.00 H new ATOM 0 HA ARG A 34 -12.617 8.344 -3.781 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -11.675 6.239 -2.955 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -12.209 7.201 -1.591 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -14.521 5.842 -1.985 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -13.446 4.681 -2.739 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -12.055 4.587 -0.665 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -13.070 5.800 0.090 1.00 0.00 H new ATOM 0 HE ARG A 34 -14.838 3.698 -0.751 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -12.098 4.273 1.348 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -12.569 3.028 2.509 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -15.437 2.105 0.735 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -14.443 1.812 2.165 1.00 0.00 H new ATOM 603 N ASN A 35 -13.070 6.561 -5.613 1.00 0.00 N ATOM 604 CA ASN A 35 -13.580 5.817 -6.808 1.00 0.00 C ATOM 605 C ASN A 35 -13.382 4.300 -6.629 1.00 0.00 C ATOM 606 O ASN A 35 -12.444 3.873 -5.989 1.00 0.00 O ATOM 607 CB ASN A 35 -12.824 6.292 -8.056 1.00 0.00 C ATOM 608 CG ASN A 35 -12.697 7.815 -8.025 1.00 0.00 C ATOM 609 OD1 ASN A 35 -13.625 8.506 -7.656 1.00 0.00 O ATOM 610 ND2 ASN A 35 -11.577 8.372 -8.399 1.00 0.00 N ATOM 0 H ASN A 35 -12.094 6.853 -5.667 1.00 0.00 H new ATOM 0 HA ASN A 35 -14.646 6.015 -6.920 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -11.835 5.834 -8.092 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -13.353 5.979 -8.956 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -11.482 9.387 -8.381 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -10.797 7.792 -8.709 1.00 0.00 H new ATOM 617 N PRO A 36 -14.242 3.481 -7.205 1.00 0.00 N ATOM 618 CA PRO A 36 -14.110 1.999 -7.101 1.00 0.00 C ATOM 619 C PRO A 36 -12.659 1.542 -7.290 1.00 0.00 C ATOM 620 O PRO A 36 -12.185 0.636 -6.635 1.00 0.00 O ATOM 621 CB PRO A 36 -14.989 1.486 -8.251 1.00 0.00 C ATOM 622 CG PRO A 36 -16.063 2.516 -8.404 1.00 0.00 C ATOM 623 CD PRO A 36 -15.427 3.859 -8.012 1.00 0.00 C ATOM 0 HA PRO A 36 -14.407 1.623 -6.122 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -14.413 1.376 -9.170 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -15.410 0.507 -8.020 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -16.432 2.544 -9.429 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -16.916 2.288 -7.765 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -15.142 4.436 -8.892 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -16.119 4.475 -7.438 1.00 0.00 H new ATOM 631 N ARG A 37 -11.964 2.167 -8.197 1.00 0.00 N ATOM 632 CA ARG A 37 -10.554 1.789 -8.463 1.00 0.00 C ATOM 633 C ARG A 37 -9.677 2.158 -7.265 1.00 0.00 C ATOM 634 O ARG A 37 -8.641 1.564 -7.040 1.00 0.00 O ATOM 635 CB ARG A 37 -10.060 2.534 -9.707 1.00 0.00 C ATOM 636 CG ARG A 37 -11.091 2.410 -10.834 1.00 0.00 C ATOM 637 CD ARG A 37 -11.393 0.932 -11.111 1.00 0.00 C ATOM 638 NE ARG A 37 -10.132 0.140 -11.042 1.00 0.00 N ATOM 639 CZ ARG A 37 -10.182 -1.164 -10.981 1.00 0.00 C ATOM 640 NH1 ARG A 37 -11.335 -1.776 -10.985 1.00 0.00 N ATOM 641 NH2 ARG A 37 -9.077 -1.856 -10.919 1.00 0.00 N ATOM 0 H ARG A 37 -12.319 2.932 -8.771 1.00 0.00 H new ATOM 0 HA ARG A 37 -10.494 0.713 -8.628 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -9.893 3.585 -9.470 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -9.103 2.124 -10.031 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -12.008 2.931 -10.558 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -10.713 2.888 -11.738 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -12.111 0.555 -10.383 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -11.849 0.822 -12.095 1.00 0.00 H new ATOM 0 HE ARG A 37 -9.230 0.616 -11.042 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -12.199 -1.236 -11.036 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -11.372 -2.794 -10.937 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -8.176 -1.379 -10.918 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -9.115 -2.874 -10.871 1.00 0.00 H new ATOM 655 N GLN A 38 -10.066 3.144 -6.504 1.00 0.00 N ATOM 656 CA GLN A 38 -9.229 3.552 -5.342 1.00 0.00 C ATOM 657 C GLN A 38 -9.277 2.491 -4.240 1.00 0.00 C ATOM 658 O GLN A 38 -8.264 2.165 -3.653 1.00 0.00 O ATOM 659 CB GLN A 38 -9.731 4.883 -4.793 1.00 0.00 C ATOM 660 CG GLN A 38 -9.463 5.988 -5.816 1.00 0.00 C ATOM 661 CD GLN A 38 -10.103 7.294 -5.340 1.00 0.00 C ATOM 662 OE1 GLN A 38 -10.795 7.954 -6.089 1.00 0.00 O ATOM 663 NE2 GLN A 38 -9.899 7.697 -4.115 1.00 0.00 N ATOM 0 H GLN A 38 -10.923 3.682 -6.636 1.00 0.00 H new ATOM 0 HA GLN A 38 -8.197 3.657 -5.677 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -10.798 4.821 -4.579 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -9.230 5.113 -3.853 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -8.389 6.124 -5.947 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -9.869 5.705 -6.787 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -9.318 7.143 -3.486 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -10.321 8.566 -3.787 1.00 0.00 H new ATOM 672 N CYS A 39 -10.426 1.936 -3.943 1.00 0.00 N ATOM 673 CA CYS A 39 -10.471 0.901 -2.877 1.00 0.00 C ATOM 674 C CYS A 39 -9.906 -0.395 -3.441 1.00 0.00 C ATOM 675 O CYS A 39 -9.314 -1.191 -2.739 1.00 0.00 O ATOM 676 CB CYS A 39 -11.912 0.679 -2.445 1.00 0.00 C ATOM 677 SG CYS A 39 -12.636 2.243 -1.918 1.00 0.00 S ATOM 0 H CYS A 39 -11.318 2.153 -4.387 1.00 0.00 H new ATOM 0 HA CYS A 39 -9.886 1.224 -2.016 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -12.489 0.260 -3.270 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -11.950 -0.044 -1.630 1.00 0.00 H new ATOM 0 HG CYS A 39 -13.920 2.100 -1.775 1.00 0.00 H new ATOM 683 N ARG A 40 -10.081 -0.607 -4.714 1.00 0.00 N ATOM 684 CA ARG A 40 -9.552 -1.845 -5.340 1.00 0.00 C ATOM 685 C ARG A 40 -8.040 -1.893 -5.134 1.00 0.00 C ATOM 686 O ARG A 40 -7.486 -2.896 -4.732 1.00 0.00 O ATOM 687 CB ARG A 40 -9.868 -1.816 -6.837 1.00 0.00 C ATOM 688 CG ARG A 40 -9.189 -2.986 -7.571 1.00 0.00 C ATOM 689 CD ARG A 40 -9.513 -4.319 -6.883 1.00 0.00 C ATOM 690 NE ARG A 40 -9.254 -5.439 -7.831 1.00 0.00 N ATOM 691 CZ ARG A 40 -10.064 -5.648 -8.834 1.00 0.00 C ATOM 692 NH1 ARG A 40 -11.102 -4.876 -9.007 1.00 0.00 N ATOM 693 NH2 ARG A 40 -9.836 -6.629 -9.663 1.00 0.00 N ATOM 0 H ARG A 40 -10.569 0.026 -5.348 1.00 0.00 H new ATOM 0 HA ARG A 40 -10.010 -2.725 -4.888 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -10.947 -1.867 -6.985 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -9.532 -0.871 -7.264 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -9.524 -3.015 -8.608 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -8.110 -2.833 -7.589 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -8.903 -4.437 -5.988 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -10.555 -4.332 -6.563 1.00 0.00 H new ATOM 0 HE ARG A 40 -8.443 -6.043 -7.696 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -11.281 -4.109 -8.359 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -11.734 -5.040 -9.790 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -9.025 -7.233 -9.528 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -10.469 -6.792 -10.446 1.00 0.00 H new ATOM 707 N GLU A 41 -7.368 -0.808 -5.409 1.00 0.00 N ATOM 708 CA GLU A 41 -5.891 -0.780 -5.233 1.00 0.00 C ATOM 709 C GLU A 41 -5.537 -1.256 -3.823 1.00 0.00 C ATOM 710 O GLU A 41 -4.515 -1.875 -3.610 1.00 0.00 O ATOM 711 CB GLU A 41 -5.379 0.652 -5.434 1.00 0.00 C ATOM 712 CG GLU A 41 -5.440 1.017 -6.921 1.00 0.00 C ATOM 713 CD GLU A 41 -5.192 2.516 -7.091 1.00 0.00 C ATOM 714 OE1 GLU A 41 -5.914 3.290 -6.483 1.00 0.00 O ATOM 715 OE2 GLU A 41 -4.284 2.868 -7.826 1.00 0.00 O ATOM 0 H GLU A 41 -7.781 0.061 -5.748 1.00 0.00 H new ATOM 0 HA GLU A 41 -5.425 -1.438 -5.966 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -5.983 1.349 -4.853 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -4.355 0.737 -5.070 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -4.693 0.449 -7.476 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -6.414 0.750 -7.332 1.00 0.00 H new ATOM 722 N ARG A 42 -6.373 -0.986 -2.857 1.00 0.00 N ATOM 723 CA ARG A 42 -6.054 -1.440 -1.470 1.00 0.00 C ATOM 724 C ARG A 42 -6.076 -2.967 -1.418 1.00 0.00 C ATOM 725 O ARG A 42 -5.239 -3.596 -0.806 1.00 0.00 O ATOM 726 CB ARG A 42 -7.089 -0.896 -0.487 1.00 0.00 C ATOM 727 CG ARG A 42 -7.166 0.635 -0.583 1.00 0.00 C ATOM 728 CD ARG A 42 -5.787 1.268 -0.312 1.00 0.00 C ATOM 729 NE ARG A 42 -5.004 1.308 -1.580 1.00 0.00 N ATOM 730 CZ ARG A 42 -3.921 2.034 -1.656 1.00 0.00 C ATOM 731 NH1 ARG A 42 -3.520 2.719 -0.620 1.00 0.00 N ATOM 732 NH2 ARG A 42 -3.238 2.074 -2.768 1.00 0.00 N ATOM 0 H ARG A 42 -7.251 -0.478 -2.963 1.00 0.00 H new ATOM 0 HA ARG A 42 -5.066 -1.070 -1.196 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -8.066 -1.330 -0.701 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -6.825 -1.190 0.529 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -7.516 0.925 -1.574 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -7.893 1.013 0.136 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -5.909 2.276 0.085 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -5.251 0.691 0.441 1.00 0.00 H new ATOM 0 HE ARG A 42 -5.314 0.768 -2.388 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -4.052 2.687 0.249 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -2.674 3.286 -0.680 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -3.550 1.538 -3.578 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -2.392 2.641 -2.827 1.00 0.00 H new ATOM 746 N TRP A 43 -7.040 -3.563 -2.048 1.00 0.00 N ATOM 747 CA TRP A 43 -7.151 -5.051 -2.036 1.00 0.00 C ATOM 748 C TRP A 43 -5.795 -5.703 -2.302 1.00 0.00 C ATOM 749 O TRP A 43 -5.316 -6.474 -1.506 1.00 0.00 O ATOM 750 CB TRP A 43 -8.128 -5.459 -3.145 1.00 0.00 C ATOM 751 CG TRP A 43 -8.387 -6.936 -3.133 1.00 0.00 C ATOM 752 CD1 TRP A 43 -8.701 -7.676 -2.043 1.00 0.00 C ATOM 753 CD2 TRP A 43 -8.379 -7.858 -4.263 1.00 0.00 C ATOM 754 NE1 TRP A 43 -8.879 -8.991 -2.433 1.00 0.00 N ATOM 755 CE2 TRP A 43 -8.691 -9.154 -3.791 1.00 0.00 C ATOM 756 CE3 TRP A 43 -8.131 -7.696 -5.638 1.00 0.00 C ATOM 757 CZ2 TRP A 43 -8.755 -10.250 -4.651 1.00 0.00 C ATOM 758 CZ3 TRP A 43 -8.194 -8.796 -6.507 1.00 0.00 C ATOM 759 CH2 TRP A 43 -8.506 -10.072 -6.015 1.00 0.00 C ATOM 0 H TRP A 43 -7.767 -3.083 -2.578 1.00 0.00 H new ATOM 0 HA TRP A 43 -7.502 -5.380 -1.058 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -9.068 -4.923 -3.018 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -7.723 -5.167 -4.114 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -8.797 -7.301 -1.035 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -9.120 -9.749 -1.794 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -7.890 -6.718 -6.028 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -8.995 -11.230 -4.266 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -8.001 -8.659 -7.561 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -8.554 -10.915 -6.688 1.00 0.00 H new ATOM 770 N ASN A 44 -5.178 -5.404 -3.407 1.00 0.00 N ATOM 771 CA ASN A 44 -3.862 -6.041 -3.725 1.00 0.00 C ATOM 772 C ASN A 44 -2.719 -5.456 -2.882 1.00 0.00 C ATOM 773 O ASN A 44 -1.968 -6.188 -2.268 1.00 0.00 O ATOM 774 CB ASN A 44 -3.559 -5.838 -5.216 1.00 0.00 C ATOM 775 CG ASN A 44 -3.851 -4.387 -5.604 1.00 0.00 C ATOM 776 OD1 ASN A 44 -3.039 -3.511 -5.386 1.00 0.00 O ATOM 777 ND2 ASN A 44 -4.987 -4.096 -6.176 1.00 0.00 N ATOM 0 H ASN A 44 -5.523 -4.747 -4.107 1.00 0.00 H new ATOM 0 HA ASN A 44 -3.932 -7.103 -3.488 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -2.516 -6.078 -5.422 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -4.166 -6.515 -5.817 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -5.193 -3.133 -6.440 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -5.669 -4.832 -6.359 1.00 0.00 H new ATOM 784 N ASN A 45 -2.544 -4.161 -2.869 1.00 0.00 N ATOM 785 CA ASN A 45 -1.405 -3.580 -2.090 1.00 0.00 C ATOM 786 C ASN A 45 -1.733 -3.485 -0.599 1.00 0.00 C ATOM 787 O ASN A 45 -1.070 -2.774 0.130 1.00 0.00 O ATOM 788 CB ASN A 45 -1.059 -2.186 -2.628 1.00 0.00 C ATOM 789 CG ASN A 45 -2.198 -1.203 -2.355 1.00 0.00 C ATOM 790 OD1 ASN A 45 -2.715 -1.139 -1.258 1.00 0.00 O ATOM 791 ND2 ASN A 45 -2.602 -0.415 -3.312 1.00 0.00 N ATOM 0 H ASN A 45 -3.131 -3.485 -3.357 1.00 0.00 H new ATOM 0 HA ASN A 45 -0.550 -4.245 -2.208 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -0.142 -1.827 -2.160 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -0.869 -2.241 -3.700 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -3.352 0.255 -3.139 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -2.168 -0.468 -4.234 1.00 0.00 H new ATOM 798 N TYR A 46 -2.732 -4.191 -0.119 1.00 0.00 N ATOM 799 CA TYR A 46 -3.050 -4.122 1.347 1.00 0.00 C ATOM 800 C TYR A 46 -3.530 -5.496 1.845 1.00 0.00 C ATOM 801 O TYR A 46 -2.932 -6.064 2.737 1.00 0.00 O ATOM 802 CB TYR A 46 -4.106 -3.019 1.600 1.00 0.00 C ATOM 803 CG TYR A 46 -3.791 -2.274 2.892 1.00 0.00 C ATOM 804 CD1 TYR A 46 -3.635 -2.991 4.084 1.00 0.00 C ATOM 805 CD2 TYR A 46 -3.651 -0.877 2.895 1.00 0.00 C ATOM 806 CE1 TYR A 46 -3.343 -2.317 5.275 1.00 0.00 C ATOM 807 CE2 TYR A 46 -3.358 -0.205 4.088 1.00 0.00 C ATOM 808 CZ TYR A 46 -3.205 -0.924 5.278 1.00 0.00 C ATOM 809 OH TYR A 46 -2.916 -0.262 6.454 1.00 0.00 O ATOM 0 H TYR A 46 -3.334 -4.804 -0.669 1.00 0.00 H new ATOM 0 HA TYR A 46 -2.152 -3.862 1.908 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -4.120 -2.321 0.763 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -5.099 -3.464 1.661 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -3.740 -4.066 4.084 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -3.769 -0.321 1.977 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -3.224 -2.872 6.194 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -3.250 0.870 4.089 1.00 0.00 H new ATOM 0 HH TYR A 46 -2.853 0.700 6.281 1.00 0.00 H new ATOM 819 N ILE A 47 -4.587 -6.049 1.285 1.00 0.00 N ATOM 820 CA ILE A 47 -5.060 -7.402 1.755 1.00 0.00 C ATOM 821 C ILE A 47 -5.644 -8.219 0.585 1.00 0.00 C ATOM 822 O ILE A 47 -6.613 -7.847 -0.048 1.00 0.00 O ATOM 823 CB ILE A 47 -6.087 -7.267 2.935 1.00 0.00 C ATOM 824 CG1 ILE A 47 -7.558 -7.130 2.469 1.00 0.00 C ATOM 825 CG2 ILE A 47 -5.745 -6.049 3.798 1.00 0.00 C ATOM 826 CD1 ILE A 47 -7.775 -5.850 1.650 1.00 0.00 C ATOM 0 H ILE A 47 -5.136 -5.631 0.534 1.00 0.00 H new ATOM 0 HA ILE A 47 -4.196 -7.946 2.138 1.00 0.00 H new ATOM 0 HB ILE A 47 -6.003 -8.194 3.503 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -7.832 -7.997 1.869 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -8.216 -7.123 3.338 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -6.465 -5.967 4.613 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -4.742 -6.165 4.210 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -5.784 -5.147 3.187 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -8.818 -5.788 1.341 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -7.525 -4.981 2.259 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -7.136 -5.870 0.768 1.00 0.00 H new ATOM 838 N ASN A 48 -5.040 -9.351 0.321 1.00 0.00 N ATOM 839 CA ASN A 48 -5.509 -10.267 -0.765 1.00 0.00 C ATOM 840 C ASN A 48 -4.671 -11.563 -0.710 1.00 0.00 C ATOM 841 O ASN A 48 -5.214 -12.648 -0.759 1.00 0.00 O ATOM 842 CB ASN A 48 -5.410 -9.565 -2.156 1.00 0.00 C ATOM 843 CG ASN A 48 -4.596 -10.387 -3.170 1.00 0.00 C ATOM 844 OD1 ASN A 48 -5.105 -11.311 -3.773 1.00 0.00 O ATOM 845 ND2 ASN A 48 -3.344 -10.082 -3.379 1.00 0.00 N ATOM 0 H ASN A 48 -4.220 -9.687 0.826 1.00 0.00 H new ATOM 0 HA ASN A 48 -6.559 -10.521 -0.617 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -6.413 -9.399 -2.549 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -4.949 -8.585 -2.033 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -2.793 -10.619 -4.048 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -2.917 -9.306 -2.873 1.00 0.00 H new ATOM 852 N PRO A 49 -3.358 -11.461 -0.613 1.00 0.00 N ATOM 853 CA PRO A 49 -2.456 -12.636 -0.557 1.00 0.00 C ATOM 854 C PRO A 49 -2.049 -12.983 0.885 1.00 0.00 C ATOM 855 O PRO A 49 -1.432 -13.998 1.132 1.00 0.00 O ATOM 856 CB PRO A 49 -1.244 -12.155 -1.380 1.00 0.00 C ATOM 857 CG PRO A 49 -1.242 -10.638 -1.258 1.00 0.00 C ATOM 858 CD PRO A 49 -2.557 -10.234 -0.546 1.00 0.00 C ATOM 0 HA PRO A 49 -2.915 -13.549 -0.937 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -0.316 -12.580 -0.997 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -1.330 -12.464 -2.422 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -0.376 -10.299 -0.689 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -1.179 -10.173 -2.242 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -2.380 -9.923 0.484 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -3.050 -9.402 -1.050 1.00 0.00 H new ATOM 866 N ALA A 50 -2.383 -12.138 1.830 1.00 0.00 N ATOM 867 CA ALA A 50 -2.018 -12.394 3.260 1.00 0.00 C ATOM 868 C ALA A 50 -0.536 -12.060 3.467 1.00 0.00 C ATOM 869 O ALA A 50 0.246 -12.876 3.911 1.00 0.00 O ATOM 870 CB ALA A 50 -2.302 -13.868 3.632 1.00 0.00 C ATOM 0 H ALA A 50 -2.898 -11.272 1.670 1.00 0.00 H new ATOM 0 HA ALA A 50 -2.623 -11.761 3.909 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -2.032 -14.039 4.674 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -3.362 -14.081 3.492 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -1.713 -14.525 2.992 1.00 0.00 H new ATOM 876 N LEU A 51 -0.152 -10.852 3.138 1.00 0.00 N ATOM 877 CA LEU A 51 1.274 -10.420 3.294 1.00 0.00 C ATOM 878 C LEU A 51 1.433 -9.629 4.597 1.00 0.00 C ATOM 879 O LEU A 51 2.262 -8.746 4.700 1.00 0.00 O ATOM 880 CB LEU A 51 1.678 -9.544 2.088 1.00 0.00 C ATOM 881 CG LEU A 51 0.511 -8.643 1.654 1.00 0.00 C ATOM 882 CD1 LEU A 51 0.079 -7.722 2.802 1.00 0.00 C ATOM 883 CD2 LEU A 51 0.962 -7.798 0.461 1.00 0.00 C ATOM 0 H LEU A 51 -0.774 -10.136 2.763 1.00 0.00 H new ATOM 0 HA LEU A 51 1.921 -11.297 3.332 1.00 0.00 H new ATOM 0 HB2 LEU A 51 2.539 -8.930 2.351 1.00 0.00 H new ATOM 0 HB3 LEU A 51 1.982 -10.180 1.256 1.00 0.00 H new ATOM 0 HG LEU A 51 -0.339 -9.267 1.378 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -0.748 -7.093 2.472 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -0.240 -8.325 3.652 1.00 0.00 H new ATOM 0 HD13 LEU A 51 0.918 -7.092 3.098 1.00 0.00 H new ATOM 0 HD21 LEU A 51 0.143 -7.153 0.142 1.00 0.00 H new ATOM 0 HD22 LEU A 51 1.815 -7.185 0.751 1.00 0.00 H new ATOM 0 HD23 LEU A 51 1.249 -8.453 -0.361 1.00 0.00 H new ATOM 895 N ARG A 52 0.640 -9.936 5.593 1.00 0.00 N ATOM 896 CA ARG A 52 0.736 -9.204 6.895 1.00 0.00 C ATOM 897 C ARG A 52 2.208 -9.078 7.315 1.00 0.00 C ATOM 898 O ARG A 52 2.559 -8.273 8.155 1.00 0.00 O ATOM 899 CB ARG A 52 -0.051 -9.982 7.962 1.00 0.00 C ATOM 900 CG ARG A 52 0.110 -9.334 9.349 1.00 0.00 C ATOM 901 CD ARG A 52 -0.284 -7.850 9.304 1.00 0.00 C ATOM 902 NE ARG A 52 -0.617 -7.387 10.682 1.00 0.00 N ATOM 903 CZ ARG A 52 -1.183 -6.226 10.862 1.00 0.00 C ATOM 904 NH1 ARG A 52 -1.461 -5.467 9.836 1.00 0.00 N ATOM 905 NH2 ARG A 52 -1.474 -5.823 12.069 1.00 0.00 N ATOM 0 H ARG A 52 -0.073 -10.665 5.561 1.00 0.00 H new ATOM 0 HA ARG A 52 0.317 -8.203 6.788 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -1.106 -10.012 7.691 1.00 0.00 H new ATOM 0 HB3 ARG A 52 0.298 -11.014 7.996 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -0.511 -9.858 10.075 1.00 0.00 H new ATOM 0 HG3 ARG A 52 1.143 -9.431 9.684 1.00 0.00 H new ATOM 0 HD2 ARG A 52 0.534 -7.257 8.896 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -1.140 -7.709 8.644 1.00 0.00 H new ATOM 0 HE ARG A 52 -0.402 -7.979 11.484 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -1.235 -5.782 8.892 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -1.904 -4.559 9.978 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -1.259 -6.416 12.870 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -1.917 -4.915 12.211 1.00 0.00 H new ATOM 919 N THR A 53 3.070 -9.864 6.729 1.00 0.00 N ATOM 920 CA THR A 53 4.514 -9.787 7.084 1.00 0.00 C ATOM 921 C THR A 53 5.336 -10.532 6.029 1.00 0.00 C ATOM 922 O THR A 53 5.641 -11.698 6.181 1.00 0.00 O ATOM 923 CB THR A 53 4.738 -10.434 8.453 1.00 0.00 C ATOM 924 OG1 THR A 53 3.936 -9.774 9.423 1.00 0.00 O ATOM 925 CG2 THR A 53 6.212 -10.316 8.842 1.00 0.00 C ATOM 0 H THR A 53 2.835 -10.557 6.019 1.00 0.00 H new ATOM 0 HA THR A 53 4.825 -8.743 7.120 1.00 0.00 H new ATOM 0 HB THR A 53 4.461 -11.487 8.407 1.00 0.00 H new ATOM 0 HG1 THR A 53 3.744 -8.861 9.122 1.00 0.00 H new ATOM 0 HG21 THR A 53 6.369 -10.777 9.817 1.00 0.00 H new ATOM 0 HG22 THR A 53 6.826 -10.823 8.098 1.00 0.00 H new ATOM 0 HG23 THR A 53 6.493 -9.264 8.889 1.00 0.00 H new ATOM 933 N ASP A 54 5.694 -9.866 4.955 1.00 0.00 N ATOM 934 CA ASP A 54 6.496 -10.528 3.873 1.00 0.00 C ATOM 935 C ASP A 54 7.570 -9.567 3.363 1.00 0.00 C ATOM 936 O ASP A 54 7.512 -9.099 2.243 1.00 0.00 O ATOM 937 CB ASP A 54 5.567 -10.918 2.720 1.00 0.00 C ATOM 938 CG ASP A 54 6.317 -11.812 1.730 1.00 0.00 C ATOM 939 OD1 ASP A 54 7.246 -12.481 2.150 1.00 0.00 O ATOM 940 OD2 ASP A 54 5.948 -11.813 0.567 1.00 0.00 O ATOM 0 H ASP A 54 5.464 -8.888 4.780 1.00 0.00 H new ATOM 0 HA ASP A 54 6.976 -11.421 4.273 1.00 0.00 H new ATOM 0 HB2 ASP A 54 4.693 -11.441 3.107 1.00 0.00 H new ATOM 0 HB3 ASP A 54 5.205 -10.023 2.214 1.00 0.00 H new ATOM 945 N PRO A 55 8.554 -9.283 4.179 1.00 0.00 N ATOM 946 CA PRO A 55 9.676 -8.373 3.808 1.00 0.00 C ATOM 947 C PRO A 55 10.248 -8.692 2.428 1.00 0.00 C ATOM 948 O PRO A 55 10.501 -9.833 2.094 1.00 0.00 O ATOM 949 CB PRO A 55 10.713 -8.635 4.905 1.00 0.00 C ATOM 950 CG PRO A 55 9.887 -8.971 6.097 1.00 0.00 C ATOM 951 CD PRO A 55 8.713 -9.794 5.555 1.00 0.00 C ATOM 0 HA PRO A 55 9.361 -7.331 3.743 1.00 0.00 H new ATOM 0 HB2 PRO A 55 11.381 -9.453 4.637 1.00 0.00 H new ATOM 0 HB3 PRO A 55 11.337 -7.759 5.084 1.00 0.00 H new ATOM 0 HG2 PRO A 55 10.463 -9.540 6.827 1.00 0.00 H new ATOM 0 HG3 PRO A 55 9.537 -8.070 6.600 1.00 0.00 H new ATOM 0 HD2 PRO A 55 8.930 -10.862 5.566 1.00 0.00 H new ATOM 0 HD3 PRO A 55 7.810 -9.646 6.147 1.00 0.00 H new ATOM 959 N TRP A 56 10.458 -7.689 1.628 1.00 0.00 N ATOM 960 CA TRP A 56 11.022 -7.926 0.262 1.00 0.00 C ATOM 961 C TRP A 56 12.544 -8.100 0.352 1.00 0.00 C ATOM 962 O TRP A 56 13.117 -8.105 1.425 1.00 0.00 O ATOM 963 CB TRP A 56 10.655 -6.769 -0.697 1.00 0.00 C ATOM 964 CG TRP A 56 10.416 -5.481 0.036 1.00 0.00 C ATOM 965 CD1 TRP A 56 9.238 -5.104 0.586 1.00 0.00 C ATOM 966 CD2 TRP A 56 11.341 -4.380 0.265 1.00 0.00 C ATOM 967 NE1 TRP A 56 9.370 -3.830 1.107 1.00 0.00 N ATOM 968 CE2 TRP A 56 10.654 -3.345 0.945 1.00 0.00 C ATOM 969 CE3 TRP A 56 12.695 -4.178 -0.050 1.00 0.00 C ATOM 970 CZ2 TRP A 56 11.289 -2.152 1.291 1.00 0.00 C ATOM 971 CZ3 TRP A 56 13.335 -2.983 0.301 1.00 0.00 C ATOM 972 CH2 TRP A 56 12.635 -1.970 0.967 1.00 0.00 C ATOM 0 H TRP A 56 10.266 -6.713 1.855 1.00 0.00 H new ATOM 0 HA TRP A 56 10.587 -8.840 -0.143 1.00 0.00 H new ATOM 0 HB2 TRP A 56 11.458 -6.630 -1.420 1.00 0.00 H new ATOM 0 HB3 TRP A 56 9.761 -7.036 -1.261 1.00 0.00 H new ATOM 0 HD1 TRP A 56 8.339 -5.702 0.613 1.00 0.00 H new ATOM 0 HE1 TRP A 56 8.614 -3.313 1.555 1.00 0.00 H new ATOM 0 HE3 TRP A 56 13.246 -4.950 -0.567 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 10.744 -1.375 1.806 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 14.377 -2.842 0.056 1.00 0.00 H new ATOM 0 HH2 TRP A 56 13.135 -1.049 1.230 1.00 0.00 H new ATOM 983 N SER A 57 13.189 -8.277 -0.779 1.00 0.00 N ATOM 984 CA SER A 57 14.677 -8.498 -0.813 1.00 0.00 C ATOM 985 C SER A 57 15.357 -7.358 -1.608 1.00 0.00 C ATOM 986 O SER A 57 14.708 -6.414 -2.013 1.00 0.00 O ATOM 987 CB SER A 57 14.922 -9.871 -1.479 1.00 0.00 C ATOM 988 OG SER A 57 13.715 -10.620 -1.432 1.00 0.00 O ATOM 0 H SER A 57 12.742 -8.278 -1.696 1.00 0.00 H new ATOM 0 HA SER A 57 15.102 -8.493 0.191 1.00 0.00 H new ATOM 0 HB2 SER A 57 15.245 -9.738 -2.512 1.00 0.00 H new ATOM 0 HB3 SER A 57 15.719 -10.405 -0.962 1.00 0.00 H new ATOM 0 HG SER A 57 13.856 -11.494 -1.853 1.00 0.00 H new ATOM 994 N PRO A 58 16.657 -7.437 -1.813 1.00 0.00 N ATOM 995 CA PRO A 58 17.435 -6.386 -2.553 1.00 0.00 C ATOM 996 C PRO A 58 16.841 -6.042 -3.929 1.00 0.00 C ATOM 997 O PRO A 58 17.191 -5.046 -4.533 1.00 0.00 O ATOM 998 CB PRO A 58 18.837 -7.005 -2.688 1.00 0.00 C ATOM 999 CG PRO A 58 18.941 -7.916 -1.513 1.00 0.00 C ATOM 1000 CD PRO A 58 17.550 -8.531 -1.371 1.00 0.00 C ATOM 0 HA PRO A 58 17.427 -5.434 -2.022 1.00 0.00 H new ATOM 0 HB2 PRO A 58 18.945 -7.549 -3.626 1.00 0.00 H new ATOM 0 HB3 PRO A 58 19.614 -6.241 -2.671 1.00 0.00 H new ATOM 0 HG2 PRO A 58 19.698 -8.683 -1.673 1.00 0.00 H new ATOM 0 HG3 PRO A 58 19.226 -7.370 -0.613 1.00 0.00 H new ATOM 0 HD2 PRO A 58 17.436 -9.420 -1.991 1.00 0.00 H new ATOM 0 HD3 PRO A 58 17.344 -8.830 -0.343 1.00 0.00 H new ATOM 1008 N GLU A 59 15.956 -6.855 -4.427 1.00 0.00 N ATOM 1009 CA GLU A 59 15.348 -6.583 -5.753 1.00 0.00 C ATOM 1010 C GLU A 59 14.445 -5.367 -5.636 1.00 0.00 C ATOM 1011 O GLU A 59 14.455 -4.491 -6.477 1.00 0.00 O ATOM 1012 CB GLU A 59 14.525 -7.794 -6.199 1.00 0.00 C ATOM 1013 CG GLU A 59 15.397 -9.050 -6.154 1.00 0.00 C ATOM 1014 CD GLU A 59 14.622 -10.233 -6.737 1.00 0.00 C ATOM 1015 OE1 GLU A 59 13.511 -10.464 -6.291 1.00 0.00 O ATOM 1016 OE2 GLU A 59 15.153 -10.886 -7.620 1.00 0.00 O ATOM 0 H GLU A 59 15.626 -7.703 -3.967 1.00 0.00 H new ATOM 0 HA GLU A 59 16.130 -6.395 -6.488 1.00 0.00 H new ATOM 0 HB2 GLU A 59 13.658 -7.917 -5.549 1.00 0.00 H new ATOM 0 HB3 GLU A 59 14.147 -7.637 -7.209 1.00 0.00 H new ATOM 0 HG2 GLU A 59 16.314 -8.889 -6.720 1.00 0.00 H new ATOM 0 HG3 GLU A 59 15.690 -9.265 -5.126 1.00 0.00 H new ATOM 1023 N GLU A 60 13.669 -5.290 -4.586 1.00 0.00 N ATOM 1024 CA GLU A 60 12.783 -4.112 -4.417 1.00 0.00 C ATOM 1025 C GLU A 60 13.603 -2.983 -3.794 1.00 0.00 C ATOM 1026 O GLU A 60 13.300 -1.824 -3.963 1.00 0.00 O ATOM 1027 CB GLU A 60 11.613 -4.478 -3.508 1.00 0.00 C ATOM 1028 CG GLU A 60 10.961 -5.773 -4.001 1.00 0.00 C ATOM 1029 CD GLU A 60 10.465 -5.584 -5.435 1.00 0.00 C ATOM 1030 OE1 GLU A 60 10.145 -4.461 -5.788 1.00 0.00 O ATOM 1031 OE2 GLU A 60 10.415 -6.566 -6.158 1.00 0.00 O ATOM 0 H GLU A 60 13.614 -5.989 -3.846 1.00 0.00 H new ATOM 0 HA GLU A 60 12.385 -3.793 -5.380 1.00 0.00 H new ATOM 0 HB2 GLU A 60 11.962 -4.603 -2.483 1.00 0.00 H new ATOM 0 HB3 GLU A 60 10.880 -3.671 -3.500 1.00 0.00 H new ATOM 0 HG2 GLU A 60 11.679 -6.592 -3.959 1.00 0.00 H new ATOM 0 HG3 GLU A 60 10.129 -6.044 -3.351 1.00 0.00 H new ATOM 1038 N ASP A 61 14.655 -3.314 -3.087 1.00 0.00 N ATOM 1039 CA ASP A 61 15.501 -2.250 -2.469 1.00 0.00 C ATOM 1040 C ASP A 61 16.188 -1.463 -3.587 1.00 0.00 C ATOM 1041 O ASP A 61 16.032 -0.263 -3.708 1.00 0.00 O ATOM 1042 CB ASP A 61 16.568 -2.895 -1.559 1.00 0.00 C ATOM 1043 CG ASP A 61 17.011 -1.902 -0.475 1.00 0.00 C ATOM 1044 OD1 ASP A 61 16.149 -1.252 0.095 1.00 0.00 O ATOM 1045 OD2 ASP A 61 18.203 -1.811 -0.234 1.00 0.00 O ATOM 0 H ASP A 61 14.963 -4.271 -2.912 1.00 0.00 H new ATOM 0 HA ASP A 61 14.881 -1.584 -1.869 1.00 0.00 H new ATOM 0 HB2 ASP A 61 16.165 -3.795 -1.095 1.00 0.00 H new ATOM 0 HB3 ASP A 61 17.428 -3.201 -2.155 1.00 0.00 H new ATOM 1050 N MET A 62 16.944 -2.139 -4.407 1.00 0.00 N ATOM 1051 CA MET A 62 17.638 -1.448 -5.521 1.00 0.00 C ATOM 1052 C MET A 62 16.594 -0.797 -6.422 1.00 0.00 C ATOM 1053 O MET A 62 16.809 0.267 -6.970 1.00 0.00 O ATOM 1054 CB MET A 62 18.452 -2.462 -6.327 1.00 0.00 C ATOM 1055 CG MET A 62 19.642 -2.941 -5.493 1.00 0.00 C ATOM 1056 SD MET A 62 20.496 -4.275 -6.369 1.00 0.00 S ATOM 1057 CE MET A 62 21.722 -4.638 -5.088 1.00 0.00 C ATOM 0 H MET A 62 17.109 -3.144 -4.350 1.00 0.00 H new ATOM 0 HA MET A 62 18.310 -0.688 -5.124 1.00 0.00 H new ATOM 0 HB2 MET A 62 17.825 -3.309 -6.605 1.00 0.00 H new ATOM 0 HB3 MET A 62 18.803 -2.008 -7.254 1.00 0.00 H new ATOM 0 HG2 MET A 62 20.328 -2.114 -5.311 1.00 0.00 H new ATOM 0 HG3 MET A 62 19.300 -3.292 -4.519 1.00 0.00 H new ATOM 0 HE1 MET A 62 22.369 -5.448 -5.423 1.00 0.00 H new ATOM 0 HE2 MET A 62 22.323 -3.749 -4.897 1.00 0.00 H new ATOM 0 HE3 MET A 62 21.213 -4.936 -4.171 1.00 0.00 H new ATOM 1067 N LEU A 63 15.458 -1.425 -6.578 1.00 0.00 N ATOM 1068 CA LEU A 63 14.395 -0.830 -7.447 1.00 0.00 C ATOM 1069 C LEU A 63 13.666 0.271 -6.667 1.00 0.00 C ATOM 1070 O LEU A 63 13.168 1.222 -7.235 1.00 0.00 O ATOM 1071 CB LEU A 63 13.396 -1.922 -7.862 1.00 0.00 C ATOM 1072 CG LEU A 63 12.510 -1.429 -9.036 1.00 0.00 C ATOM 1073 CD1 LEU A 63 13.233 -1.621 -10.380 1.00 0.00 C ATOM 1074 CD2 LEU A 63 11.201 -2.229 -9.067 1.00 0.00 C ATOM 0 H LEU A 63 15.220 -2.318 -6.146 1.00 0.00 H new ATOM 0 HA LEU A 63 14.848 -0.404 -8.342 1.00 0.00 H new ATOM 0 HB2 LEU A 63 13.934 -2.822 -8.158 1.00 0.00 H new ATOM 0 HB3 LEU A 63 12.768 -2.191 -7.013 1.00 0.00 H new ATOM 0 HG LEU A 63 12.303 -0.369 -8.885 1.00 0.00 H new ATOM 0 HD11 LEU A 63 12.594 -1.269 -11.190 1.00 0.00 H new ATOM 0 HD12 LEU A 63 14.163 -1.052 -10.377 1.00 0.00 H new ATOM 0 HD13 LEU A 63 13.455 -2.678 -10.526 1.00 0.00 H new ATOM 0 HD21 LEU A 63 10.581 -1.880 -9.893 1.00 0.00 H new ATOM 0 HD22 LEU A 63 11.424 -3.287 -9.203 1.00 0.00 H new ATOM 0 HD23 LEU A 63 10.666 -2.089 -8.127 1.00 0.00 H new ATOM 1086 N LEU A 64 13.603 0.149 -5.367 1.00 0.00 N ATOM 1087 CA LEU A 64 12.911 1.187 -4.550 1.00 0.00 C ATOM 1088 C LEU A 64 13.759 2.457 -4.539 1.00 0.00 C ATOM 1089 O LEU A 64 13.260 3.545 -4.716 1.00 0.00 O ATOM 1090 CB LEU A 64 12.716 0.658 -3.113 1.00 0.00 C ATOM 1091 CG LEU A 64 12.308 1.802 -2.129 1.00 0.00 C ATOM 1092 CD1 LEU A 64 11.254 1.290 -1.132 1.00 0.00 C ATOM 1093 CD2 LEU A 64 13.535 2.298 -1.335 1.00 0.00 C ATOM 0 H LEU A 64 14.001 -0.625 -4.836 1.00 0.00 H new ATOM 0 HA LEU A 64 11.934 1.414 -4.977 1.00 0.00 H new ATOM 0 HB2 LEU A 64 11.948 -0.116 -3.111 1.00 0.00 H new ATOM 0 HB3 LEU A 64 13.639 0.192 -2.768 1.00 0.00 H new ATOM 0 HG LEU A 64 11.898 2.623 -2.718 1.00 0.00 H new ATOM 0 HD11 LEU A 64 10.976 2.094 -0.451 1.00 0.00 H new ATOM 0 HD12 LEU A 64 10.371 0.954 -1.676 1.00 0.00 H new ATOM 0 HD13 LEU A 64 11.667 0.458 -0.562 1.00 0.00 H new ATOM 0 HD21 LEU A 64 13.231 3.094 -0.655 1.00 0.00 H new ATOM 0 HD22 LEU A 64 13.955 1.472 -0.761 1.00 0.00 H new ATOM 0 HD23 LEU A 64 14.286 2.679 -2.027 1.00 0.00 H new ATOM 1105 N ASP A 65 15.038 2.331 -4.332 1.00 0.00 N ATOM 1106 CA ASP A 65 15.910 3.541 -4.305 1.00 0.00 C ATOM 1107 C ASP A 65 15.632 4.405 -5.538 1.00 0.00 C ATOM 1108 O ASP A 65 15.689 5.617 -5.485 1.00 0.00 O ATOM 1109 CB ASP A 65 17.376 3.107 -4.310 1.00 0.00 C ATOM 1110 CG ASP A 65 18.269 4.318 -4.031 1.00 0.00 C ATOM 1111 OD1 ASP A 65 18.377 5.163 -4.905 1.00 0.00 O ATOM 1112 OD2 ASP A 65 18.829 4.380 -2.950 1.00 0.00 O ATOM 0 H ASP A 65 15.519 1.445 -4.180 1.00 0.00 H new ATOM 0 HA ASP A 65 15.700 4.119 -3.405 1.00 0.00 H new ATOM 0 HB2 ASP A 65 17.541 2.339 -3.555 1.00 0.00 H new ATOM 0 HB3 ASP A 65 17.633 2.667 -5.274 1.00 0.00 H new ATOM 1117 N GLN A 66 15.341 3.789 -6.650 1.00 0.00 N ATOM 1118 CA GLN A 66 15.067 4.571 -7.893 1.00 0.00 C ATOM 1119 C GLN A 66 13.640 5.128 -7.879 1.00 0.00 C ATOM 1120 O GLN A 66 13.406 6.262 -8.246 1.00 0.00 O ATOM 1121 CB GLN A 66 15.244 3.664 -9.112 1.00 0.00 C ATOM 1122 CG GLN A 66 16.667 3.100 -9.127 1.00 0.00 C ATOM 1123 CD GLN A 66 17.659 4.229 -9.414 1.00 0.00 C ATOM 1124 OE1 GLN A 66 17.573 4.885 -10.433 1.00 0.00 O ATOM 1125 NE2 GLN A 66 18.605 4.483 -8.553 1.00 0.00 N ATOM 0 H GLN A 66 15.280 2.776 -6.754 1.00 0.00 H new ATOM 0 HA GLN A 66 15.767 5.405 -7.942 1.00 0.00 H new ATOM 0 HB2 GLN A 66 14.519 2.850 -9.081 1.00 0.00 H new ATOM 0 HB3 GLN A 66 15.054 4.225 -10.027 1.00 0.00 H new ATOM 0 HG2 GLN A 66 16.896 2.635 -8.168 1.00 0.00 H new ATOM 0 HG3 GLN A 66 16.754 2.323 -9.887 1.00 0.00 H new ATOM 0 HE21 GLN A 66 18.677 3.932 -7.697 1.00 0.00 H new ATOM 0 HE22 GLN A 66 19.273 5.232 -8.735 1.00 0.00 H new ATOM 1134 N LYS A 67 12.682 4.338 -7.480 1.00 0.00 N ATOM 1135 CA LYS A 67 11.270 4.826 -7.471 1.00 0.00 C ATOM 1136 C LYS A 67 11.047 5.773 -6.286 1.00 0.00 C ATOM 1137 O LYS A 67 10.594 6.886 -6.449 1.00 0.00 O ATOM 1138 CB LYS A 67 10.315 3.631 -7.352 1.00 0.00 C ATOM 1139 CG LYS A 67 10.577 2.613 -8.477 1.00 0.00 C ATOM 1140 CD LYS A 67 9.997 3.117 -9.809 1.00 0.00 C ATOM 1141 CE LYS A 67 10.013 1.980 -10.833 1.00 0.00 C ATOM 1142 NZ LYS A 67 9.616 2.508 -12.169 1.00 0.00 N ATOM 0 H LYS A 67 12.813 3.378 -7.160 1.00 0.00 H new ATOM 0 HA LYS A 67 11.075 5.362 -8.400 1.00 0.00 H new ATOM 0 HB2 LYS A 67 10.444 3.151 -6.382 1.00 0.00 H new ATOM 0 HB3 LYS A 67 9.283 3.977 -7.401 1.00 0.00 H new ATOM 0 HG2 LYS A 67 11.649 2.446 -8.581 1.00 0.00 H new ATOM 0 HG3 LYS A 67 10.128 1.654 -8.219 1.00 0.00 H new ATOM 0 HD2 LYS A 67 8.978 3.475 -9.662 1.00 0.00 H new ATOM 0 HD3 LYS A 67 10.581 3.961 -10.177 1.00 0.00 H new ATOM 0 HE2 LYS A 67 11.008 1.538 -10.886 1.00 0.00 H new ATOM 0 HE3 LYS A 67 9.329 1.189 -10.525 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 10.122 1.986 -12.913 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 8.591 2.389 -12.299 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 9.858 3.518 -12.229 1.00 0.00 H new ATOM 1156 N TYR A 68 11.359 5.338 -5.100 1.00 0.00 N ATOM 1157 CA TYR A 68 11.162 6.212 -3.904 1.00 0.00 C ATOM 1158 C TYR A 68 11.881 7.548 -4.137 1.00 0.00 C ATOM 1159 O TYR A 68 11.385 8.602 -3.799 1.00 0.00 O ATOM 1160 CB TYR A 68 11.728 5.493 -2.659 1.00 0.00 C ATOM 1161 CG TYR A 68 12.059 6.488 -1.564 1.00 0.00 C ATOM 1162 CD1 TYR A 68 13.276 7.177 -1.604 1.00 0.00 C ATOM 1163 CD2 TYR A 68 11.156 6.721 -0.521 1.00 0.00 C ATOM 1164 CE1 TYR A 68 13.592 8.101 -0.603 1.00 0.00 C ATOM 1165 CE2 TYR A 68 11.471 7.645 0.481 1.00 0.00 C ATOM 1166 CZ TYR A 68 12.689 8.335 0.441 1.00 0.00 C ATOM 1167 OH TYR A 68 12.998 9.247 1.430 1.00 0.00 O ATOM 0 H TYR A 68 11.743 4.414 -4.903 1.00 0.00 H new ATOM 0 HA TYR A 68 10.102 6.409 -3.743 1.00 0.00 H new ATOM 0 HB2 TYR A 68 11.001 4.769 -2.291 1.00 0.00 H new ATOM 0 HB3 TYR A 68 12.624 4.935 -2.932 1.00 0.00 H new ATOM 0 HD1 TYR A 68 13.972 6.995 -2.409 1.00 0.00 H new ATOM 0 HD2 TYR A 68 10.217 6.188 -0.490 1.00 0.00 H new ATOM 0 HE1 TYR A 68 14.531 8.633 -0.635 1.00 0.00 H new ATOM 0 HE2 TYR A 68 10.774 7.826 1.286 1.00 0.00 H new ATOM 0 HH TYR A 68 12.263 9.290 2.077 1.00 0.00 H new ATOM 1177 N ALA A 69 13.048 7.506 -4.708 1.00 0.00 N ATOM 1178 CA ALA A 69 13.802 8.763 -4.960 1.00 0.00 C ATOM 1179 C ALA A 69 12.909 9.742 -5.728 1.00 0.00 C ATOM 1180 O ALA A 69 12.952 10.938 -5.518 1.00 0.00 O ATOM 1181 CB ALA A 69 15.050 8.433 -5.787 1.00 0.00 C ATOM 0 H ALA A 69 13.515 6.652 -5.013 1.00 0.00 H new ATOM 0 HA ALA A 69 14.101 9.219 -4.016 1.00 0.00 H new ATOM 0 HB1 ALA A 69 15.612 9.347 -5.979 1.00 0.00 H new ATOM 0 HB2 ALA A 69 15.676 7.731 -5.236 1.00 0.00 H new ATOM 0 HB3 ALA A 69 14.751 7.986 -6.735 1.00 0.00 H new ATOM 1187 N GLU A 70 12.101 9.236 -6.622 1.00 0.00 N ATOM 1188 CA GLU A 70 11.194 10.111 -7.419 1.00 0.00 C ATOM 1189 C GLU A 70 9.829 10.215 -6.731 1.00 0.00 C ATOM 1190 O GLU A 70 9.324 11.292 -6.482 1.00 0.00 O ATOM 1191 CB GLU A 70 11.019 9.486 -8.808 1.00 0.00 C ATOM 1192 CG GLU A 70 12.297 9.683 -9.632 1.00 0.00 C ATOM 1193 CD GLU A 70 12.428 11.153 -10.037 1.00 0.00 C ATOM 1194 OE1 GLU A 70 11.616 11.604 -10.828 1.00 0.00 O ATOM 1195 OE2 GLU A 70 13.336 11.804 -9.548 1.00 0.00 O ATOM 0 H GLU A 70 12.031 8.241 -6.836 1.00 0.00 H new ATOM 0 HA GLU A 70 11.622 11.110 -7.503 1.00 0.00 H new ATOM 0 HB2 GLU A 70 10.797 8.423 -8.713 1.00 0.00 H new ATOM 0 HB3 GLU A 70 10.172 9.944 -9.319 1.00 0.00 H new ATOM 0 HG2 GLU A 70 13.167 9.377 -9.051 1.00 0.00 H new ATOM 0 HG3 GLU A 70 12.269 9.052 -10.520 1.00 0.00 H new ATOM 1202 N TYR A 71 9.219 9.096 -6.450 1.00 0.00 N ATOM 1203 CA TYR A 71 7.872 9.105 -5.810 1.00 0.00 C ATOM 1204 C TYR A 71 7.972 9.463 -4.324 1.00 0.00 C ATOM 1205 O TYR A 71 7.177 10.225 -3.813 1.00 0.00 O ATOM 1206 CB TYR A 71 7.240 7.723 -5.972 1.00 0.00 C ATOM 1207 CG TYR A 71 6.953 7.471 -7.437 1.00 0.00 C ATOM 1208 CD1 TYR A 71 5.815 8.030 -8.030 1.00 0.00 C ATOM 1209 CD2 TYR A 71 7.823 6.683 -8.202 1.00 0.00 C ATOM 1210 CE1 TYR A 71 5.546 7.801 -9.385 1.00 0.00 C ATOM 1211 CE2 TYR A 71 7.554 6.453 -9.556 1.00 0.00 C ATOM 1212 CZ TYR A 71 6.415 7.013 -10.148 1.00 0.00 C ATOM 1213 OH TYR A 71 6.149 6.788 -11.483 1.00 0.00 O ATOM 0 H TYR A 71 9.599 8.168 -6.638 1.00 0.00 H new ATOM 0 HA TYR A 71 7.253 9.860 -6.295 1.00 0.00 H new ATOM 0 HB2 TYR A 71 7.911 6.956 -5.584 1.00 0.00 H new ATOM 0 HB3 TYR A 71 6.318 7.662 -5.394 1.00 0.00 H new ATOM 0 HD1 TYR A 71 5.144 8.638 -7.442 1.00 0.00 H new ATOM 0 HD2 TYR A 71 8.702 6.253 -7.746 1.00 0.00 H new ATOM 0 HE1 TYR A 71 4.668 8.233 -9.841 1.00 0.00 H new ATOM 0 HE2 TYR A 71 8.224 5.844 -10.144 1.00 0.00 H new ATOM 0 HH TYR A 71 6.852 6.222 -11.866 1.00 0.00 H new ATOM 1223 N GLY A 72 8.930 8.922 -3.623 1.00 0.00 N ATOM 1224 CA GLY A 72 9.063 9.237 -2.164 1.00 0.00 C ATOM 1225 C GLY A 72 8.270 8.205 -1.357 1.00 0.00 C ATOM 1226 O GLY A 72 7.968 7.135 -1.847 1.00 0.00 O ATOM 0 H GLY A 72 9.628 8.276 -3.993 1.00 0.00 H new ATOM 0 HA2 GLY A 72 10.112 9.220 -1.869 1.00 0.00 H new ATOM 0 HA3 GLY A 72 8.691 10.241 -1.960 1.00 0.00 H new ATOM 1230 N PRO A 73 7.937 8.512 -0.127 1.00 0.00 N ATOM 1231 CA PRO A 73 7.171 7.574 0.747 1.00 0.00 C ATOM 1232 C PRO A 73 5.781 7.234 0.188 1.00 0.00 C ATOM 1233 O PRO A 73 4.913 6.784 0.908 1.00 0.00 O ATOM 1234 CB PRO A 73 7.063 8.314 2.103 1.00 0.00 C ATOM 1235 CG PRO A 73 8.115 9.386 2.049 1.00 0.00 C ATOM 1236 CD PRO A 73 8.252 9.766 0.573 1.00 0.00 C ATOM 0 HA PRO A 73 7.674 6.610 0.827 1.00 0.00 H new ATOM 0 HB2 PRO A 73 6.070 8.743 2.240 1.00 0.00 H new ATOM 0 HB3 PRO A 73 7.235 7.634 2.938 1.00 0.00 H new ATOM 0 HG2 PRO A 73 7.825 10.249 2.649 1.00 0.00 H new ATOM 0 HG3 PRO A 73 9.062 9.024 2.449 1.00 0.00 H new ATOM 0 HD2 PRO A 73 7.564 10.565 0.297 1.00 0.00 H new ATOM 0 HD3 PRO A 73 9.257 10.116 0.339 1.00 0.00 H new ATOM 1244 N LYS A 74 5.560 7.426 -1.087 1.00 0.00 N ATOM 1245 CA LYS A 74 4.228 7.088 -1.663 1.00 0.00 C ATOM 1246 C LYS A 74 4.201 5.585 -1.926 1.00 0.00 C ATOM 1247 O LYS A 74 4.219 5.140 -3.055 1.00 0.00 O ATOM 1248 CB LYS A 74 4.036 7.850 -2.975 1.00 0.00 C ATOM 1249 CG LYS A 74 3.701 9.316 -2.679 1.00 0.00 C ATOM 1250 CD LYS A 74 3.465 10.061 -3.996 1.00 0.00 C ATOM 1251 CE LYS A 74 2.888 11.447 -3.702 1.00 0.00 C ATOM 1252 NZ LYS A 74 3.645 12.074 -2.582 1.00 0.00 N ATOM 0 H LYS A 74 6.240 7.800 -1.749 1.00 0.00 H new ATOM 0 HA LYS A 74 3.428 7.365 -0.977 1.00 0.00 H new ATOM 0 HB2 LYS A 74 4.942 7.789 -3.578 1.00 0.00 H new ATOM 0 HB3 LYS A 74 3.235 7.395 -3.557 1.00 0.00 H new ATOM 0 HG2 LYS A 74 2.813 9.377 -2.050 1.00 0.00 H new ATOM 0 HG3 LYS A 74 4.516 9.782 -2.126 1.00 0.00 H new ATOM 0 HD2 LYS A 74 4.401 10.154 -4.546 1.00 0.00 H new ATOM 0 HD3 LYS A 74 2.779 9.496 -4.628 1.00 0.00 H new ATOM 0 HE2 LYS A 74 2.949 12.074 -4.592 1.00 0.00 H new ATOM 0 HE3 LYS A 74 1.833 11.365 -3.441 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 3.487 13.102 -2.589 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 3.317 11.679 -1.677 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 4.660 11.879 -2.697 1.00 0.00 H new ATOM 1266 N TRP A 75 4.168 4.804 -0.885 1.00 0.00 N ATOM 1267 CA TRP A 75 4.157 3.330 -1.049 1.00 0.00 C ATOM 1268 C TRP A 75 2.973 2.935 -1.921 1.00 0.00 C ATOM 1269 O TRP A 75 2.839 1.805 -2.342 1.00 0.00 O ATOM 1270 CB TRP A 75 4.055 2.669 0.330 1.00 0.00 C ATOM 1271 CG TRP A 75 4.892 3.425 1.324 1.00 0.00 C ATOM 1272 CD1 TRP A 75 4.416 3.985 2.460 1.00 0.00 C ATOM 1273 CD2 TRP A 75 6.326 3.718 1.299 1.00 0.00 C ATOM 1274 NE1 TRP A 75 5.463 4.573 3.146 1.00 0.00 N ATOM 1275 CE2 TRP A 75 6.657 4.441 2.471 1.00 0.00 C ATOM 1276 CE3 TRP A 75 7.364 3.427 0.392 1.00 0.00 C ATOM 1277 CZ2 TRP A 75 7.963 4.855 2.735 1.00 0.00 C ATOM 1278 CZ3 TRP A 75 8.678 3.845 0.655 1.00 0.00 C ATOM 1279 CH2 TRP A 75 8.977 4.556 1.824 1.00 0.00 C ATOM 0 H TRP A 75 4.148 5.129 0.081 1.00 0.00 H new ATOM 0 HA TRP A 75 5.077 2.997 -1.530 1.00 0.00 H new ATOM 0 HB2 TRP A 75 3.015 2.649 0.657 1.00 0.00 H new ATOM 0 HB3 TRP A 75 4.391 1.634 0.272 1.00 0.00 H new ATOM 0 HD1 TRP A 75 3.384 3.974 2.780 1.00 0.00 H new ATOM 0 HE1 TRP A 75 5.363 5.047 4.044 1.00 0.00 H new ATOM 0 HE3 TRP A 75 7.147 2.878 -0.513 1.00 0.00 H new ATOM 0 HZ2 TRP A 75 8.188 5.403 3.638 1.00 0.00 H new ATOM 0 HZ3 TRP A 75 9.464 3.617 -0.049 1.00 0.00 H new ATOM 0 HH2 TRP A 75 9.991 4.872 2.020 1.00 0.00 H new ATOM 1290 N ASN A 76 2.124 3.873 -2.203 1.00 0.00 N ATOM 1291 CA ASN A 76 0.952 3.585 -3.059 1.00 0.00 C ATOM 1292 C ASN A 76 1.441 3.425 -4.498 1.00 0.00 C ATOM 1293 O ASN A 76 0.917 2.642 -5.263 1.00 0.00 O ATOM 1294 CB ASN A 76 -0.035 4.748 -2.954 1.00 0.00 C ATOM 1295 CG ASN A 76 0.724 6.073 -3.024 1.00 0.00 C ATOM 1296 OD1 ASN A 76 1.582 6.338 -2.205 1.00 0.00 O ATOM 1297 ND2 ASN A 76 0.440 6.926 -3.971 1.00 0.00 N ATOM 0 H ASN A 76 2.193 4.836 -1.874 1.00 0.00 H new ATOM 0 HA ASN A 76 0.450 2.671 -2.742 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -0.765 4.693 -3.761 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -0.590 4.684 -2.018 1.00 0.00 H new ATOM 0 HD21 ASN A 76 0.938 7.815 -4.023 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -0.280 6.704 -4.658 1.00 0.00 H new ATOM 1304 N LYS A 77 2.466 4.154 -4.861 1.00 0.00 N ATOM 1305 CA LYS A 77 3.026 4.044 -6.236 1.00 0.00 C ATOM 1306 C LYS A 77 4.039 2.902 -6.257 1.00 0.00 C ATOM 1307 O LYS A 77 4.145 2.164 -7.215 1.00 0.00 O ATOM 1308 CB LYS A 77 3.740 5.347 -6.603 1.00 0.00 C ATOM 1309 CG LYS A 77 2.766 6.538 -6.520 1.00 0.00 C ATOM 1310 CD LYS A 77 1.856 6.581 -7.757 1.00 0.00 C ATOM 1311 CE LYS A 77 1.086 7.904 -7.776 1.00 0.00 C ATOM 1312 NZ LYS A 77 2.039 9.030 -7.988 1.00 0.00 N ATOM 0 H LYS A 77 2.940 4.825 -4.257 1.00 0.00 H new ATOM 0 HA LYS A 77 2.224 3.855 -6.949 1.00 0.00 H new ATOM 0 HB2 LYS A 77 4.581 5.510 -5.929 1.00 0.00 H new ATOM 0 HB3 LYS A 77 4.149 5.273 -7.611 1.00 0.00 H new ATOM 0 HG2 LYS A 77 2.159 6.456 -5.618 1.00 0.00 H new ATOM 0 HG3 LYS A 77 3.328 7.469 -6.443 1.00 0.00 H new ATOM 0 HD2 LYS A 77 2.452 6.481 -8.664 1.00 0.00 H new ATOM 0 HD3 LYS A 77 1.160 5.743 -7.739 1.00 0.00 H new ATOM 0 HE2 LYS A 77 0.339 7.891 -8.570 1.00 0.00 H new ATOM 0 HE3 LYS A 77 0.550 8.039 -6.836 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 1.719 9.610 -8.790 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 2.079 9.617 -7.131 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 2.985 8.650 -8.192 1.00 0.00 H new ATOM 1326 N ILE A 78 4.789 2.762 -5.199 1.00 0.00 N ATOM 1327 CA ILE A 78 5.807 1.679 -5.144 1.00 0.00 C ATOM 1328 C ILE A 78 5.111 0.322 -5.116 1.00 0.00 C ATOM 1329 O ILE A 78 5.384 -0.542 -5.919 1.00 0.00 O ATOM 1330 CB ILE A 78 6.647 1.845 -3.871 1.00 0.00 C ATOM 1331 CG1 ILE A 78 7.051 3.316 -3.697 1.00 0.00 C ATOM 1332 CG2 ILE A 78 7.903 0.975 -3.962 1.00 0.00 C ATOM 1333 CD1 ILE A 78 7.645 3.869 -4.997 1.00 0.00 C ATOM 0 H ILE A 78 4.740 3.353 -4.369 1.00 0.00 H new ATOM 0 HA ILE A 78 6.450 1.737 -6.023 1.00 0.00 H new ATOM 0 HB ILE A 78 6.053 1.533 -3.012 1.00 0.00 H new ATOM 0 HG12 ILE A 78 6.181 3.906 -3.408 1.00 0.00 H new ATOM 0 HG13 ILE A 78 7.779 3.406 -2.891 1.00 0.00 H new ATOM 0 HG21 ILE A 78 8.496 1.096 -3.056 1.00 0.00 H new ATOM 0 HG22 ILE A 78 7.614 -0.071 -4.069 1.00 0.00 H new ATOM 0 HG23 ILE A 78 8.494 1.279 -4.826 1.00 0.00 H new ATOM 0 HD11 ILE A 78 7.925 4.913 -4.854 1.00 0.00 H new ATOM 0 HD12 ILE A 78 8.528 3.290 -5.269 1.00 0.00 H new ATOM 0 HD13 ILE A 78 6.905 3.798 -5.794 1.00 0.00 H new ATOM 1345 N SER A 79 4.215 0.126 -4.192 1.00 0.00 N ATOM 1346 CA SER A 79 3.506 -1.185 -4.112 1.00 0.00 C ATOM 1347 C SER A 79 2.949 -1.579 -5.483 1.00 0.00 C ATOM 1348 O SER A 79 2.731 -2.742 -5.759 1.00 0.00 O ATOM 1349 CB SER A 79 2.365 -1.097 -3.101 1.00 0.00 C ATOM 1350 OG SER A 79 1.266 -0.415 -3.689 1.00 0.00 O ATOM 0 H SER A 79 3.941 0.813 -3.489 1.00 0.00 H new ATOM 0 HA SER A 79 4.218 -1.945 -3.791 1.00 0.00 H new ATOM 0 HB2 SER A 79 2.062 -2.097 -2.789 1.00 0.00 H new ATOM 0 HB3 SER A 79 2.697 -0.571 -2.206 1.00 0.00 H new ATOM 0 HG SER A 79 1.324 0.541 -3.480 1.00 0.00 H new ATOM 1356 N LYS A 80 2.714 -0.628 -6.347 1.00 0.00 N ATOM 1357 CA LYS A 80 2.169 -0.969 -7.694 1.00 0.00 C ATOM 1358 C LYS A 80 3.299 -1.524 -8.554 1.00 0.00 C ATOM 1359 O LYS A 80 3.073 -2.206 -9.534 1.00 0.00 O ATOM 1360 CB LYS A 80 1.584 0.286 -8.353 1.00 0.00 C ATOM 1361 CG LYS A 80 0.259 0.652 -7.674 1.00 0.00 C ATOM 1362 CD LYS A 80 -0.255 1.995 -8.214 1.00 0.00 C ATOM 1363 CE LYS A 80 -0.700 1.854 -9.677 1.00 0.00 C ATOM 1364 NZ LYS A 80 -1.586 2.998 -10.033 1.00 0.00 N ATOM 0 H LYS A 80 2.875 0.365 -6.180 1.00 0.00 H new ATOM 0 HA LYS A 80 1.379 -1.713 -7.594 1.00 0.00 H new ATOM 0 HB2 LYS A 80 2.288 1.114 -8.270 1.00 0.00 H new ATOM 0 HB3 LYS A 80 1.423 0.109 -9.416 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -0.480 -0.129 -7.855 1.00 0.00 H new ATOM 0 HG3 LYS A 80 0.399 0.714 -6.595 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -1.090 2.342 -7.606 1.00 0.00 H new ATOM 0 HD3 LYS A 80 0.529 2.748 -8.138 1.00 0.00 H new ATOM 0 HE2 LYS A 80 0.170 1.834 -10.334 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -1.228 0.911 -9.819 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -1.890 2.907 -11.023 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -2.421 2.996 -9.413 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -1.066 3.891 -9.911 1.00 0.00 H new ATOM 1378 N PHE A 81 4.520 -1.245 -8.186 1.00 0.00 N ATOM 1379 CA PHE A 81 5.680 -1.759 -8.966 1.00 0.00 C ATOM 1380 C PHE A 81 6.042 -3.141 -8.415 1.00 0.00 C ATOM 1381 O PHE A 81 6.790 -3.890 -9.010 1.00 0.00 O ATOM 1382 CB PHE A 81 6.864 -0.787 -8.800 1.00 0.00 C ATOM 1383 CG PHE A 81 6.757 0.340 -9.815 1.00 0.00 C ATOM 1384 CD1 PHE A 81 7.011 0.081 -11.167 1.00 0.00 C ATOM 1385 CD2 PHE A 81 6.405 1.635 -9.406 1.00 0.00 C ATOM 1386 CE1 PHE A 81 6.913 1.112 -12.109 1.00 0.00 C ATOM 1387 CE2 PHE A 81 6.308 2.665 -10.349 1.00 0.00 C ATOM 1388 CZ PHE A 81 6.562 2.404 -11.700 1.00 0.00 C ATOM 0 H PHE A 81 4.764 -0.679 -7.373 1.00 0.00 H new ATOM 0 HA PHE A 81 5.438 -1.837 -10.026 1.00 0.00 H new ATOM 0 HB2 PHE A 81 6.871 -0.378 -7.790 1.00 0.00 H new ATOM 0 HB3 PHE A 81 7.805 -1.321 -8.934 1.00 0.00 H new ATOM 0 HD1 PHE A 81 7.283 -0.915 -11.484 1.00 0.00 H new ATOM 0 HD2 PHE A 81 6.209 1.837 -8.363 1.00 0.00 H new ATOM 0 HE1 PHE A 81 7.108 0.910 -13.152 1.00 0.00 H new ATOM 0 HE2 PHE A 81 6.037 3.662 -10.034 1.00 0.00 H new ATOM 0 HZ PHE A 81 6.487 3.199 -12.427 1.00 0.00 H new ATOM 1398 N LEU A 82 5.501 -3.469 -7.274 1.00 0.00 N ATOM 1399 CA LEU A 82 5.773 -4.791 -6.634 1.00 0.00 C ATOM 1400 C LEU A 82 4.588 -5.720 -6.925 1.00 0.00 C ATOM 1401 O LEU A 82 4.728 -6.731 -7.583 1.00 0.00 O ATOM 1402 CB LEU A 82 5.913 -4.573 -5.117 1.00 0.00 C ATOM 1403 CG LEU A 82 7.318 -4.019 -4.750 1.00 0.00 C ATOM 1404 CD1 LEU A 82 7.792 -2.952 -5.747 1.00 0.00 C ATOM 1405 CD2 LEU A 82 7.257 -3.377 -3.361 1.00 0.00 C ATOM 0 H LEU A 82 4.869 -2.866 -6.747 1.00 0.00 H new ATOM 0 HA LEU A 82 6.688 -5.237 -7.023 1.00 0.00 H new ATOM 0 HB2 LEU A 82 5.146 -3.878 -4.776 1.00 0.00 H new ATOM 0 HB3 LEU A 82 5.744 -5.515 -4.596 1.00 0.00 H new ATOM 0 HG LEU A 82 8.018 -4.854 -4.774 1.00 0.00 H new ATOM 0 HD11 LEU A 82 8.778 -2.592 -5.453 1.00 0.00 H new ATOM 0 HD12 LEU A 82 7.847 -3.386 -6.745 1.00 0.00 H new ATOM 0 HD13 LEU A 82 7.088 -2.120 -5.751 1.00 0.00 H new ATOM 0 HD21 LEU A 82 8.240 -2.986 -3.097 1.00 0.00 H new ATOM 0 HD22 LEU A 82 6.533 -2.563 -3.368 1.00 0.00 H new ATOM 0 HD23 LEU A 82 6.955 -4.125 -2.628 1.00 0.00 H new ATOM 1417 N LYS A 83 3.422 -5.377 -6.438 1.00 0.00 N ATOM 1418 CA LYS A 83 2.217 -6.217 -6.678 1.00 0.00 C ATOM 1419 C LYS A 83 2.348 -7.489 -5.851 1.00 0.00 C ATOM 1420 O LYS A 83 1.550 -8.400 -5.957 1.00 0.00 O ATOM 1421 CB LYS A 83 2.113 -6.543 -8.185 1.00 0.00 C ATOM 1422 CG LYS A 83 0.642 -6.692 -8.614 1.00 0.00 C ATOM 1423 CD LYS A 83 0.554 -6.815 -10.144 1.00 0.00 C ATOM 1424 CE LYS A 83 1.004 -5.505 -10.828 1.00 0.00 C ATOM 1425 NZ LYS A 83 0.292 -5.362 -12.128 1.00 0.00 N ATOM 0 H LYS A 83 3.256 -4.541 -5.878 1.00 0.00 H new ATOM 0 HA LYS A 83 1.310 -5.690 -6.382 1.00 0.00 H new ATOM 0 HB2 LYS A 83 2.587 -5.752 -8.766 1.00 0.00 H new ATOM 0 HB3 LYS A 83 2.654 -7.464 -8.400 1.00 0.00 H new ATOM 0 HG2 LYS A 83 0.204 -7.572 -8.144 1.00 0.00 H new ATOM 0 HG3 LYS A 83 0.066 -5.830 -8.276 1.00 0.00 H new ATOM 0 HD2 LYS A 83 1.179 -7.641 -10.483 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -0.470 -7.050 -10.436 1.00 0.00 H new ATOM 0 HE2 LYS A 83 0.787 -4.652 -10.185 1.00 0.00 H new ATOM 0 HE3 LYS A 83 2.082 -5.517 -10.989 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 0.592 -4.481 -12.593 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 0.520 -6.171 -12.740 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -0.734 -5.333 -11.961 1.00 0.00 H new ATOM 1439 N ASN A 84 3.359 -7.543 -5.023 1.00 0.00 N ATOM 1440 CA ASN A 84 3.590 -8.736 -4.155 1.00 0.00 C ATOM 1441 C ASN A 84 3.618 -8.291 -2.695 1.00 0.00 C ATOM 1442 O ASN A 84 3.408 -9.078 -1.793 1.00 0.00 O ATOM 1443 CB ASN A 84 4.936 -9.364 -4.517 1.00 0.00 C ATOM 1444 CG ASN A 84 4.871 -9.933 -5.936 1.00 0.00 C ATOM 1445 OD1 ASN A 84 5.851 -10.438 -6.446 1.00 0.00 O ATOM 1446 ND2 ASN A 84 3.749 -9.871 -6.600 1.00 0.00 N ATOM 0 H ASN A 84 4.046 -6.798 -4.910 1.00 0.00 H new ATOM 0 HA ASN A 84 2.793 -9.464 -4.303 1.00 0.00 H new ATOM 0 HB2 ASN A 84 5.727 -8.617 -4.450 1.00 0.00 H new ATOM 0 HB3 ASN A 84 5.182 -10.154 -3.808 1.00 0.00 H new ATOM 0 HD21 ASN A 84 3.695 -10.247 -7.547 1.00 0.00 H new ATOM 0 HD22 ASN A 84 2.926 -9.447 -6.172 1.00 0.00 H new ATOM 1453 N ARG A 85 3.880 -7.028 -2.462 1.00 0.00 N ATOM 1454 CA ARG A 85 3.937 -6.486 -1.066 1.00 0.00 C ATOM 1455 C ARG A 85 2.814 -5.461 -0.896 1.00 0.00 C ATOM 1456 O ARG A 85 2.081 -5.170 -1.820 1.00 0.00 O ATOM 1457 CB ARG A 85 5.305 -5.812 -0.824 1.00 0.00 C ATOM 1458 CG ARG A 85 6.425 -6.591 -1.540 1.00 0.00 C ATOM 1459 CD ARG A 85 6.573 -7.984 -0.925 1.00 0.00 C ATOM 1460 NE ARG A 85 7.690 -8.704 -1.605 1.00 0.00 N ATOM 1461 CZ ARG A 85 8.205 -9.774 -1.065 1.00 0.00 C ATOM 1462 NH1 ARG A 85 7.747 -10.217 0.073 1.00 0.00 N ATOM 1463 NH2 ARG A 85 9.179 -10.402 -1.664 1.00 0.00 N ATOM 0 H ARG A 85 4.060 -6.338 -3.191 1.00 0.00 H new ATOM 0 HA ARG A 85 3.813 -7.295 -0.346 1.00 0.00 H new ATOM 0 HB2 ARG A 85 5.280 -4.784 -1.186 1.00 0.00 H new ATOM 0 HB3 ARG A 85 5.511 -5.768 0.245 1.00 0.00 H new ATOM 0 HG2 ARG A 85 6.197 -6.676 -2.602 1.00 0.00 H new ATOM 0 HG3 ARG A 85 7.366 -6.047 -1.459 1.00 0.00 H new ATOM 0 HD2 ARG A 85 6.773 -7.904 0.143 1.00 0.00 H new ATOM 0 HD3 ARG A 85 5.644 -8.543 -1.034 1.00 0.00 H new ATOM 0 HE ARG A 85 8.051 -8.358 -2.494 1.00 0.00 H new ATOM 0 HH11 ARG A 85 6.985 -9.727 0.542 1.00 0.00 H new ATOM 0 HH12 ARG A 85 8.151 -11.054 0.494 1.00 0.00 H new ATOM 0 HH21 ARG A 85 9.538 -10.056 -2.554 1.00 0.00 H new ATOM 0 HH22 ARG A 85 9.582 -11.239 -1.242 1.00 0.00 H new ATOM 1477 N SER A 86 2.679 -4.921 0.288 1.00 0.00 N ATOM 1478 CA SER A 86 1.614 -3.914 0.569 1.00 0.00 C ATOM 1479 C SER A 86 2.269 -2.678 1.162 1.00 0.00 C ATOM 1480 O SER A 86 3.357 -2.730 1.692 1.00 0.00 O ATOM 1481 CB SER A 86 0.623 -4.496 1.584 1.00 0.00 C ATOM 1482 OG SER A 86 0.113 -3.451 2.407 1.00 0.00 O ATOM 0 H SER A 86 3.274 -5.141 1.087 1.00 0.00 H new ATOM 0 HA SER A 86 1.085 -3.658 -0.349 1.00 0.00 H new ATOM 0 HB2 SER A 86 -0.195 -4.995 1.064 1.00 0.00 H new ATOM 0 HB3 SER A 86 1.116 -5.249 2.199 1.00 0.00 H new ATOM 0 HG SER A 86 -0.404 -2.825 1.858 1.00 0.00 H new ATOM 1488 N ASP A 87 1.605 -1.573 1.087 1.00 0.00 N ATOM 1489 CA ASP A 87 2.180 -0.329 1.653 1.00 0.00 C ATOM 1490 C ASP A 87 2.470 -0.560 3.132 1.00 0.00 C ATOM 1491 O ASP A 87 3.395 -0.011 3.694 1.00 0.00 O ATOM 1492 CB ASP A 87 1.186 0.824 1.480 1.00 0.00 C ATOM 1493 CG ASP A 87 -0.218 0.349 1.859 1.00 0.00 C ATOM 1494 OD1 ASP A 87 -0.739 -0.509 1.165 1.00 0.00 O ATOM 1495 OD2 ASP A 87 -0.748 0.852 2.835 1.00 0.00 O ATOM 0 H ASP A 87 0.685 -1.472 0.658 1.00 0.00 H new ATOM 0 HA ASP A 87 3.103 -0.070 1.135 1.00 0.00 H new ATOM 0 HB2 ASP A 87 1.478 1.667 2.107 1.00 0.00 H new ATOM 0 HB3 ASP A 87 1.196 1.175 0.448 1.00 0.00 H new ATOM 1500 N ASN A 88 1.694 -1.393 3.758 1.00 0.00 N ATOM 1501 CA ASN A 88 1.928 -1.691 5.196 1.00 0.00 C ATOM 1502 C ASN A 88 3.231 -2.483 5.321 1.00 0.00 C ATOM 1503 O ASN A 88 3.923 -2.408 6.315 1.00 0.00 O ATOM 1504 CB ASN A 88 0.766 -2.522 5.745 1.00 0.00 C ATOM 1505 CG ASN A 88 1.040 -2.879 7.208 1.00 0.00 C ATOM 1506 OD1 ASN A 88 1.307 -4.020 7.527 1.00 0.00 O ATOM 1507 ND2 ASN A 88 0.985 -1.943 8.116 1.00 0.00 N ATOM 0 H ASN A 88 0.905 -1.883 3.336 1.00 0.00 H new ATOM 0 HA ASN A 88 1.998 -0.763 5.764 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -0.166 -1.962 5.665 1.00 0.00 H new ATOM 0 HB3 ASN A 88 0.644 -3.430 5.155 1.00 0.00 H new ATOM 0 HD21 ASN A 88 1.166 -2.170 9.094 1.00 0.00 H new ATOM 0 HD22 ASN A 88 0.761 -0.985 7.848 1.00 0.00 H new ATOM 1514 N ASN A 89 3.573 -3.235 4.305 1.00 0.00 N ATOM 1515 CA ASN A 89 4.833 -4.025 4.343 1.00 0.00 C ATOM 1516 C ASN A 89 5.993 -3.118 3.937 1.00 0.00 C ATOM 1517 O ASN A 89 7.086 -3.202 4.462 1.00 0.00 O ATOM 1518 CB ASN A 89 4.718 -5.181 3.347 1.00 0.00 C ATOM 1519 CG ASN A 89 5.879 -6.155 3.554 1.00 0.00 C ATOM 1520 OD1 ASN A 89 6.443 -6.226 4.627 1.00 0.00 O ATOM 1521 ND2 ASN A 89 6.263 -6.913 2.564 1.00 0.00 N ATOM 0 H ASN A 89 3.028 -3.334 3.448 1.00 0.00 H new ATOM 0 HA ASN A 89 5.006 -4.418 5.345 1.00 0.00 H new ATOM 0 HB2 ASN A 89 3.768 -5.698 3.483 1.00 0.00 H new ATOM 0 HB3 ASN A 89 4.729 -4.798 2.327 1.00 0.00 H new ATOM 0 HD21 ASN A 89 7.037 -7.565 2.691 1.00 0.00 H new ATOM 0 HD22 ASN A 89 5.789 -6.853 1.663 1.00 0.00 H new ATOM 1528 N ILE A 90 5.750 -2.251 2.997 1.00 0.00 N ATOM 1529 CA ILE A 90 6.811 -1.321 2.525 1.00 0.00 C ATOM 1530 C ILE A 90 6.969 -0.194 3.541 1.00 0.00 C ATOM 1531 O ILE A 90 8.045 0.067 4.041 1.00 0.00 O ATOM 1532 CB ILE A 90 6.391 -0.736 1.176 1.00 0.00 C ATOM 1533 CG1 ILE A 90 6.104 -1.879 0.196 1.00 0.00 C ATOM 1534 CG2 ILE A 90 7.513 0.141 0.617 1.00 0.00 C ATOM 1535 CD1 ILE A 90 5.446 -1.336 -1.075 1.00 0.00 C ATOM 0 H ILE A 90 4.850 -2.146 2.529 1.00 0.00 H new ATOM 0 HA ILE A 90 7.757 -1.852 2.417 1.00 0.00 H new ATOM 0 HB ILE A 90 5.495 -0.130 1.310 1.00 0.00 H new ATOM 0 HG12 ILE A 90 7.032 -2.392 -0.057 1.00 0.00 H new ATOM 0 HG13 ILE A 90 5.451 -2.615 0.666 1.00 0.00 H new ATOM 0 HG21 ILE A 90 7.207 0.554 -0.344 1.00 0.00 H new ATOM 0 HG22 ILE A 90 7.720 0.954 1.313 1.00 0.00 H new ATOM 0 HG23 ILE A 90 8.412 -0.460 0.484 1.00 0.00 H new ATOM 0 HD11 ILE A 90 5.248 -2.159 -1.762 1.00 0.00 H new ATOM 0 HD12 ILE A 90 4.508 -0.844 -0.817 1.00 0.00 H new ATOM 0 HD13 ILE A 90 6.113 -0.618 -1.552 1.00 0.00 H new ATOM 1547 N ARG A 91 5.890 0.467 3.859 1.00 0.00 N ATOM 1548 CA ARG A 91 5.946 1.574 4.856 1.00 0.00 C ATOM 1549 C ARG A 91 6.633 1.059 6.118 1.00 0.00 C ATOM 1550 O ARG A 91 7.313 1.785 6.816 1.00 0.00 O ATOM 1551 CB ARG A 91 4.520 2.011 5.200 1.00 0.00 C ATOM 1552 CG ARG A 91 4.550 3.276 6.066 1.00 0.00 C ATOM 1553 CD ARG A 91 3.163 3.514 6.661 1.00 0.00 C ATOM 1554 NE ARG A 91 3.118 4.861 7.298 1.00 0.00 N ATOM 1555 CZ ARG A 91 3.074 5.934 6.555 1.00 0.00 C ATOM 1556 NH1 ARG A 91 3.072 5.828 5.255 1.00 0.00 N ATOM 1557 NH2 ARG A 91 3.033 7.113 7.114 1.00 0.00 N ATOM 0 H ARG A 91 4.965 0.287 3.468 1.00 0.00 H new ATOM 0 HA ARG A 91 6.499 2.420 4.448 1.00 0.00 H new ATOM 0 HB2 ARG A 91 3.959 2.201 4.285 1.00 0.00 H new ATOM 0 HB3 ARG A 91 4.004 1.210 5.730 1.00 0.00 H new ATOM 0 HG2 ARG A 91 5.286 3.168 6.862 1.00 0.00 H new ATOM 0 HG3 ARG A 91 4.853 4.134 5.466 1.00 0.00 H new ATOM 0 HD2 ARG A 91 2.405 3.444 5.881 1.00 0.00 H new ATOM 0 HD3 ARG A 91 2.935 2.744 7.398 1.00 0.00 H new ATOM 0 HE ARG A 91 3.122 4.945 8.315 1.00 0.00 H new ATOM 0 HH11 ARG A 91 3.105 4.907 4.818 1.00 0.00 H new ATOM 0 HH12 ARG A 91 3.038 6.666 4.675 1.00 0.00 H new ATOM 0 HH21 ARG A 91 3.035 7.196 8.131 1.00 0.00 H new ATOM 0 HH22 ARG A 91 2.999 7.951 6.534 1.00 0.00 H new ATOM 1571 N ASN A 92 6.449 -0.194 6.409 1.00 0.00 N ATOM 1572 CA ASN A 92 7.079 -0.783 7.624 1.00 0.00 C ATOM 1573 C ASN A 92 8.566 -0.994 7.361 1.00 0.00 C ATOM 1574 O ASN A 92 9.399 -0.783 8.221 1.00 0.00 O ATOM 1575 CB ASN A 92 6.420 -2.127 7.941 1.00 0.00 C ATOM 1576 CG ASN A 92 7.101 -2.757 9.157 1.00 0.00 C ATOM 1577 OD1 ASN A 92 7.728 -3.793 9.048 1.00 0.00 O ATOM 1578 ND2 ASN A 92 7.002 -2.174 10.319 1.00 0.00 N ATOM 0 H ASN A 92 5.887 -0.841 5.857 1.00 0.00 H new ATOM 0 HA ASN A 92 6.947 -0.109 8.471 1.00 0.00 H new ATOM 0 HB2 ASN A 92 5.358 -1.985 8.139 1.00 0.00 H new ATOM 0 HB3 ASN A 92 6.498 -2.793 7.082 1.00 0.00 H new ATOM 0 HD21 ASN A 92 7.451 -2.587 11.137 1.00 0.00 H new ATOM 0 HD22 ASN A 92 6.476 -1.305 10.410 1.00 0.00 H new ATOM 1585 N ARG A 93 8.905 -1.407 6.174 1.00 0.00 N ATOM 1586 CA ARG A 93 10.336 -1.631 5.844 1.00 0.00 C ATOM 1587 C ARG A 93 11.078 -0.295 5.899 1.00 0.00 C ATOM 1588 O ARG A 93 12.044 -0.130 6.620 1.00 0.00 O ATOM 1589 CB ARG A 93 10.400 -2.191 4.416 1.00 0.00 C ATOM 1590 CG ARG A 93 10.119 -3.714 4.412 1.00 0.00 C ATOM 1591 CD ARG A 93 11.424 -4.505 4.553 1.00 0.00 C ATOM 1592 NE ARG A 93 11.932 -4.389 5.948 1.00 0.00 N ATOM 1593 CZ ARG A 93 11.329 -5.021 6.918 1.00 0.00 C ATOM 1594 NH1 ARG A 93 10.282 -5.758 6.666 1.00 0.00 N ATOM 1595 NH2 ARG A 93 11.773 -4.916 8.139 1.00 0.00 N ATOM 0 H ARG A 93 8.250 -1.599 5.416 1.00 0.00 H new ATOM 0 HA ARG A 93 10.794 -2.324 6.550 1.00 0.00 H new ATOM 0 HB2 ARG A 93 9.671 -1.680 3.787 1.00 0.00 H new ATOM 0 HB3 ARG A 93 11.383 -1.996 3.987 1.00 0.00 H new ATOM 0 HG2 ARG A 93 9.444 -3.967 5.230 1.00 0.00 H new ATOM 0 HG3 ARG A 93 9.616 -3.994 3.486 1.00 0.00 H new ATOM 0 HD2 ARG A 93 11.255 -5.552 4.303 1.00 0.00 H new ATOM 0 HD3 ARG A 93 12.168 -4.126 3.852 1.00 0.00 H new ATOM 0 HE ARG A 93 12.752 -3.815 6.146 1.00 0.00 H new ATOM 0 HH11 ARG A 93 9.934 -5.840 5.711 1.00 0.00 H new ATOM 0 HH12 ARG A 93 9.811 -6.252 7.424 1.00 0.00 H new ATOM 0 HH21 ARG A 93 12.591 -4.340 8.336 1.00 0.00 H new ATOM 0 HH22 ARG A 93 11.302 -5.410 8.897 1.00 0.00 H new ATOM 1609 N TRP A 94 10.621 0.659 5.141 1.00 0.00 N ATOM 1610 CA TRP A 94 11.277 2.001 5.123 1.00 0.00 C ATOM 1611 C TRP A 94 11.539 2.473 6.555 1.00 0.00 C ATOM 1612 O TRP A 94 12.559 3.062 6.844 1.00 0.00 O ATOM 1613 CB TRP A 94 10.361 3.003 4.417 1.00 0.00 C ATOM 1614 CG TRP A 94 11.016 4.347 4.395 1.00 0.00 C ATOM 1615 CD1 TRP A 94 12.150 4.648 3.721 1.00 0.00 C ATOM 1616 CD2 TRP A 94 10.598 5.573 5.062 1.00 0.00 C ATOM 1617 NE1 TRP A 94 12.454 5.981 3.933 1.00 0.00 N ATOM 1618 CE2 TRP A 94 11.527 6.594 4.752 1.00 0.00 C ATOM 1619 CE3 TRP A 94 9.512 5.896 5.897 1.00 0.00 C ATOM 1620 CZ2 TRP A 94 11.385 7.889 5.253 1.00 0.00 C ATOM 1621 CZ3 TRP A 94 9.367 7.198 6.402 1.00 0.00 C ATOM 1622 CH2 TRP A 94 10.301 8.193 6.081 1.00 0.00 C ATOM 0 H TRP A 94 9.813 0.569 4.525 1.00 0.00 H new ATOM 0 HA TRP A 94 12.225 1.930 4.591 1.00 0.00 H new ATOM 0 HB2 TRP A 94 10.155 2.670 3.400 1.00 0.00 H new ATOM 0 HB3 TRP A 94 9.403 3.062 4.933 1.00 0.00 H new ATOM 0 HD1 TRP A 94 12.724 3.961 3.117 1.00 0.00 H new ATOM 0 HE1 TRP A 94 13.265 6.453 3.533 1.00 0.00 H new ATOM 0 HE3 TRP A 94 8.786 5.138 6.151 1.00 0.00 H new ATOM 0 HZ2 TRP A 94 12.108 8.651 5.002 1.00 0.00 H new ATOM 0 HZ3 TRP A 94 8.530 7.435 7.042 1.00 0.00 H new ATOM 0 HH2 TRP A 94 10.183 9.192 6.473 1.00 0.00 H new ATOM 1633 N MET A 95 10.630 2.216 7.452 1.00 0.00 N ATOM 1634 CA MET A 95 10.837 2.650 8.860 1.00 0.00 C ATOM 1635 C MET A 95 11.969 1.831 9.484 1.00 0.00 C ATOM 1636 O MET A 95 12.720 2.320 10.304 1.00 0.00 O ATOM 1637 CB MET A 95 9.547 2.431 9.657 1.00 0.00 C ATOM 1638 CG MET A 95 8.487 3.438 9.206 1.00 0.00 C ATOM 1639 SD MET A 95 8.938 5.091 9.788 1.00 0.00 S ATOM 1640 CE MET A 95 7.271 5.796 9.784 1.00 0.00 C ATOM 0 H MET A 95 9.754 1.725 7.272 1.00 0.00 H new ATOM 0 HA MET A 95 11.100 3.708 8.880 1.00 0.00 H new ATOM 0 HB2 MET A 95 9.184 1.414 9.508 1.00 0.00 H new ATOM 0 HB3 MET A 95 9.742 2.546 10.723 1.00 0.00 H new ATOM 0 HG2 MET A 95 8.405 3.433 8.119 1.00 0.00 H new ATOM 0 HG3 MET A 95 7.511 3.156 9.601 1.00 0.00 H new ATOM 0 HE1 MET A 95 7.314 6.833 10.117 1.00 0.00 H new ATOM 0 HE2 MET A 95 6.861 5.755 8.775 1.00 0.00 H new ATOM 0 HE3 MET A 95 6.633 5.225 10.458 1.00 0.00 H new ATOM 1650 N MET A 96 12.101 0.587 9.101 1.00 0.00 N ATOM 1651 CA MET A 96 13.185 -0.261 9.670 1.00 0.00 C ATOM 1652 C MET A 96 14.496 0.039 8.944 1.00 0.00 C ATOM 1653 O MET A 96 15.562 -0.008 9.527 1.00 0.00 O ATOM 1654 CB MET A 96 12.825 -1.741 9.495 1.00 0.00 C ATOM 1655 CG MET A 96 13.926 -2.620 10.110 1.00 0.00 C ATOM 1656 SD MET A 96 13.280 -4.287 10.393 1.00 0.00 S ATOM 1657 CE MET A 96 14.829 -5.036 10.954 1.00 0.00 C ATOM 0 H MET A 96 11.503 0.123 8.417 1.00 0.00 H new ATOM 0 HA MET A 96 13.300 -0.043 10.732 1.00 0.00 H new ATOM 0 HB2 MET A 96 11.869 -1.951 9.974 1.00 0.00 H new ATOM 0 HB3 MET A 96 12.709 -1.974 8.437 1.00 0.00 H new ATOM 0 HG2 MET A 96 14.788 -2.661 9.444 1.00 0.00 H new ATOM 0 HG3 MET A 96 14.269 -2.187 11.050 1.00 0.00 H new ATOM 0 HE1 MET A 96 14.661 -6.087 11.189 1.00 0.00 H new ATOM 0 HE2 MET A 96 15.578 -4.956 10.166 1.00 0.00 H new ATOM 0 HE3 MET A 96 15.182 -4.517 11.845 1.00 0.00 H new ATOM 1667 N ILE A 97 14.430 0.352 7.674 1.00 0.00 N ATOM 1668 CA ILE A 97 15.676 0.660 6.914 1.00 0.00 C ATOM 1669 C ILE A 97 16.046 2.123 7.182 1.00 0.00 C ATOM 1670 O ILE A 97 17.205 2.478 7.255 1.00 0.00 O ATOM 1671 CB ILE A 97 15.436 0.429 5.398 1.00 0.00 C ATOM 1672 CG1 ILE A 97 15.523 -1.078 5.063 1.00 0.00 C ATOM 1673 CG2 ILE A 97 16.492 1.186 4.565 1.00 0.00 C ATOM 1674 CD1 ILE A 97 14.257 -1.805 5.519 1.00 0.00 C ATOM 0 H ILE A 97 13.567 0.407 7.133 1.00 0.00 H new ATOM 0 HA ILE A 97 16.490 0.008 7.232 1.00 0.00 H new ATOM 0 HB ILE A 97 14.441 0.802 5.153 1.00 0.00 H new ATOM 0 HG12 ILE A 97 15.658 -1.210 3.989 1.00 0.00 H new ATOM 0 HG13 ILE A 97 16.395 -1.515 5.550 1.00 0.00 H new ATOM 0 HG21 ILE A 97 16.310 1.014 3.504 1.00 0.00 H new ATOM 0 HG22 ILE A 97 16.425 2.253 4.776 1.00 0.00 H new ATOM 0 HG23 ILE A 97 17.487 0.826 4.826 1.00 0.00 H new ATOM 0 HD11 ILE A 97 14.338 -2.864 5.274 1.00 0.00 H new ATOM 0 HD12 ILE A 97 14.139 -1.689 6.596 1.00 0.00 H new ATOM 0 HD13 ILE A 97 13.391 -1.380 5.012 1.00 0.00 H new ATOM 1686 N ALA A 98 15.066 2.967 7.328 1.00 0.00 N ATOM 1687 CA ALA A 98 15.356 4.402 7.592 1.00 0.00 C ATOM 1688 C ALA A 98 15.841 4.555 9.031 1.00 0.00 C ATOM 1689 O ALA A 98 16.431 5.552 9.397 1.00 0.00 O ATOM 1690 CB ALA A 98 14.088 5.234 7.389 1.00 0.00 C ATOM 0 H ALA A 98 14.076 2.726 7.276 1.00 0.00 H new ATOM 0 HA ALA A 98 16.125 4.751 6.903 1.00 0.00 H new ATOM 0 HB1 ALA A 98 14.307 6.284 7.584 1.00 0.00 H new ATOM 0 HB2 ALA A 98 13.739 5.120 6.363 1.00 0.00 H new ATOM 0 HB3 ALA A 98 13.314 4.891 8.076 1.00 0.00 H new ATOM 1696 N ARG A 99 15.599 3.568 9.850 1.00 0.00 N ATOM 1697 CA ARG A 99 16.049 3.648 11.261 1.00 0.00 C ATOM 1698 C ARG A 99 17.562 3.462 11.301 1.00 0.00 C ATOM 1699 O ARG A 99 18.224 3.845 12.246 1.00 0.00 O ATOM 1700 CB ARG A 99 15.372 2.548 12.082 1.00 0.00 C ATOM 1701 CG ARG A 99 15.857 2.618 13.532 1.00 0.00 C ATOM 1702 CD ARG A 99 14.999 1.698 14.403 1.00 0.00 C ATOM 1703 NE ARG A 99 15.601 1.599 15.763 1.00 0.00 N ATOM 1704 CZ ARG A 99 15.536 2.613 16.583 1.00 0.00 C ATOM 1705 NH1 ARG A 99 14.943 3.715 16.212 1.00 0.00 N ATOM 1706 NH2 ARG A 99 16.063 2.525 17.773 1.00 0.00 N ATOM 0 H ARG A 99 15.108 2.710 9.599 1.00 0.00 H new ATOM 0 HA ARG A 99 15.782 4.617 11.682 1.00 0.00 H new ATOM 0 HB2 ARG A 99 14.289 2.666 12.044 1.00 0.00 H new ATOM 0 HB3 ARG A 99 15.601 1.570 11.658 1.00 0.00 H new ATOM 0 HG2 ARG A 99 16.904 2.320 13.591 1.00 0.00 H new ATOM 0 HG3 ARG A 99 15.796 3.643 13.898 1.00 0.00 H new ATOM 0 HD2 ARG A 99 13.983 2.087 14.471 1.00 0.00 H new ATOM 0 HD3 ARG A 99 14.932 0.709 13.950 1.00 0.00 H new ATOM 0 HE ARG A 99 16.064 0.738 16.053 1.00 0.00 H new ATOM 0 HH11 ARG A 99 14.530 3.784 15.282 1.00 0.00 H new ATOM 0 HH12 ARG A 99 14.892 4.507 16.852 1.00 0.00 H new ATOM 0 HH21 ARG A 99 16.526 1.664 18.063 1.00 0.00 H new ATOM 0 HH22 ARG A 99 16.012 3.317 18.413 1.00 0.00 H new ATOM 1720 N HIS A 100 18.113 2.871 10.274 1.00 0.00 N ATOM 1721 CA HIS A 100 19.584 2.649 10.231 1.00 0.00 C ATOM 1722 C HIS A 100 20.258 3.891 9.653 1.00 0.00 C ATOM 1723 O HIS A 100 21.338 4.274 10.061 1.00 0.00 O ATOM 1724 CB HIS A 100 19.891 1.445 9.340 1.00 0.00 C ATOM 1725 CG HIS A 100 21.373 1.184 9.340 1.00 0.00 C ATOM 1726 ND1 HIS A 100 22.105 1.082 8.165 1.00 0.00 N ATOM 1727 CD2 HIS A 100 22.273 1.004 10.361 1.00 0.00 C ATOM 1728 CE1 HIS A 100 23.387 0.849 8.506 1.00 0.00 C ATOM 1729 NE2 HIS A 100 23.540 0.794 9.830 1.00 0.00 N ATOM 0 H HIS A 100 17.602 2.531 9.459 1.00 0.00 H new ATOM 0 HA HIS A 100 19.958 2.460 11.237 1.00 0.00 H new ATOM 0 HB2 HIS A 100 19.356 0.566 9.701 1.00 0.00 H new ATOM 0 HB3 HIS A 100 19.544 1.634 8.324 1.00 0.00 H new ATOM 0 HD2 HIS A 100 22.033 1.023 11.414 1.00 0.00 H new ATOM 0 HE1 HIS A 100 24.191 0.722 7.796 1.00 0.00 H new ATOM 0 HE2 HIS A 100 24.406 0.632 10.345 1.00 0.00 H new ATOM 1738 N ARG A 101 19.626 4.527 8.703 1.00 0.00 N ATOM 1739 CA ARG A 101 20.220 5.750 8.092 1.00 0.00 C ATOM 1740 C ARG A 101 19.930 6.953 8.989 1.00 0.00 C ATOM 1741 O ARG A 101 20.514 8.008 8.841 1.00 0.00 O ATOM 1742 CB ARG A 101 19.599 5.982 6.713 1.00 0.00 C ATOM 1743 CG ARG A 101 20.059 4.883 5.753 1.00 0.00 C ATOM 1744 CD ARG A 101 19.356 5.056 4.405 1.00 0.00 C ATOM 1745 NE ARG A 101 19.532 6.456 3.927 1.00 0.00 N ATOM 1746 CZ ARG A 101 19.071 6.811 2.758 1.00 0.00 C ATOM 1747 NH1 ARG A 101 18.454 5.939 2.008 1.00 0.00 N ATOM 1748 NH2 ARG A 101 19.226 8.038 2.342 1.00 0.00 N ATOM 0 H ARG A 101 18.721 4.251 8.323 1.00 0.00 H new ATOM 0 HA ARG A 101 21.297 5.622 7.988 1.00 0.00 H new ATOM 0 HB2 ARG A 101 18.512 5.982 6.788 1.00 0.00 H new ATOM 0 HB3 ARG A 101 19.892 6.960 6.330 1.00 0.00 H new ATOM 0 HG2 ARG A 101 21.140 4.930 5.620 1.00 0.00 H new ATOM 0 HG3 ARG A 101 19.832 3.902 6.170 1.00 0.00 H new ATOM 0 HD2 ARG A 101 19.767 4.358 3.676 1.00 0.00 H new ATOM 0 HD3 ARG A 101 18.295 4.825 4.504 1.00 0.00 H new ATOM 0 HE ARG A 101 20.013 7.138 4.513 1.00 0.00 H new ATOM 0 HH11 ARG A 101 18.332 4.981 2.335 1.00 0.00 H new ATOM 0 HH12 ARG A 101 18.094 6.216 1.095 1.00 0.00 H new ATOM 0 HH21 ARG A 101 19.707 8.719 2.930 1.00 0.00 H new ATOM 0 HH22 ARG A 101 18.866 8.316 1.429 1.00 0.00 H new ATOM 1762 N ALA A 102 19.028 6.800 9.919 1.00 0.00 N ATOM 1763 CA ALA A 102 18.694 7.930 10.829 1.00 0.00 C ATOM 1764 C ALA A 102 19.851 8.161 11.803 1.00 0.00 C ATOM 1765 O ALA A 102 20.017 9.238 12.341 1.00 0.00 O ATOM 1766 CB ALA A 102 17.425 7.592 11.613 1.00 0.00 C ATOM 0 H ALA A 102 18.507 5.939 10.088 1.00 0.00 H new ATOM 0 HA ALA A 102 18.529 8.834 10.242 1.00 0.00 H new ATOM 0 HB1 ALA A 102 17.179 8.418 12.280 1.00 0.00 H new ATOM 0 HB2 ALA A 102 16.601 7.428 10.918 1.00 0.00 H new ATOM 0 HB3 ALA A 102 17.590 6.688 12.200 1.00 0.00 H new ATOM 1772 N LYS A 103 20.652 7.158 12.036 1.00 0.00 N ATOM 1773 CA LYS A 103 21.796 7.317 12.973 1.00 0.00 C ATOM 1774 C LYS A 103 22.886 8.158 12.305 1.00 0.00 C ATOM 1775 O LYS A 103 23.970 8.318 12.831 1.00 0.00 O ATOM 1776 CB LYS A 103 22.350 5.933 13.318 1.00 0.00 C ATOM 1777 CG LYS A 103 21.383 5.211 14.261 1.00 0.00 C ATOM 1778 CD LYS A 103 21.866 3.776 14.487 1.00 0.00 C ATOM 1779 CE LYS A 103 20.849 3.024 15.348 1.00 0.00 C ATOM 1780 NZ LYS A 103 21.294 1.613 15.523 1.00 0.00 N ATOM 0 H LYS A 103 20.562 6.233 11.616 1.00 0.00 H new ATOM 0 HA LYS A 103 21.466 7.817 13.884 1.00 0.00 H new ATOM 0 HB2 LYS A 103 22.490 5.349 12.408 1.00 0.00 H new ATOM 0 HB3 LYS A 103 23.328 6.029 13.789 1.00 0.00 H new ATOM 0 HG2 LYS A 103 21.323 5.740 15.212 1.00 0.00 H new ATOM 0 HG3 LYS A 103 20.379 5.205 13.836 1.00 0.00 H new ATOM 0 HD2 LYS A 103 21.994 3.269 13.530 1.00 0.00 H new ATOM 0 HD3 LYS A 103 22.840 3.782 14.977 1.00 0.00 H new ATOM 0 HE2 LYS A 103 20.750 3.508 16.319 1.00 0.00 H new ATOM 0 HE3 LYS A 103 19.867 3.051 14.877 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 20.603 1.101 16.108 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 21.367 1.154 14.593 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 22.223 1.597 15.991 1.00 0.00 H new ATOM 1794 N HIS A 104 22.608 8.696 11.146 1.00 0.00 N ATOM 1795 CA HIS A 104 23.624 9.527 10.439 1.00 0.00 C ATOM 1796 C HIS A 104 24.949 8.766 10.368 1.00 0.00 C ATOM 1797 O HIS A 104 25.993 9.334 10.114 1.00 0.00 O ATOM 1798 CB HIS A 104 23.825 10.839 11.200 1.00 0.00 C ATOM 1799 CG HIS A 104 22.588 11.687 11.079 1.00 0.00 C ATOM 1800 ND1 HIS A 104 22.505 12.958 11.631 1.00 0.00 N ATOM 1801 CD2 HIS A 104 21.376 11.461 10.473 1.00 0.00 C ATOM 1802 CE1 HIS A 104 21.281 13.444 11.350 1.00 0.00 C ATOM 1803 NE2 HIS A 104 20.557 12.571 10.646 1.00 0.00 N ATOM 0 H HIS A 104 21.718 8.595 10.658 1.00 0.00 H new ATOM 0 HA HIS A 104 23.279 9.743 9.428 1.00 0.00 H new ATOM 0 HB2 HIS A 104 24.036 10.634 12.249 1.00 0.00 H new ATOM 0 HB3 HIS A 104 24.686 11.375 10.800 1.00 0.00 H new ATOM 0 HD2 HIS A 104 21.102 10.560 9.944 1.00 0.00 H new ATOM 0 HE1 HIS A 104 20.929 14.418 11.656 1.00 0.00 H new ATOM 0 HE2 HIS A 104 19.603 12.693 10.306 1.00 0.00 H new ATOM 1812 N GLN A 105 24.912 7.482 10.590 1.00 0.00 N ATOM 1813 CA GLN A 105 26.163 6.677 10.537 1.00 0.00 C ATOM 1814 C GLN A 105 26.856 6.899 9.191 1.00 0.00 C ATOM 1815 O GLN A 105 28.063 6.808 9.081 1.00 0.00 O ATOM 1816 CB GLN A 105 25.815 5.194 10.699 1.00 0.00 C ATOM 1817 CG GLN A 105 27.095 4.382 10.926 1.00 0.00 C ATOM 1818 CD GLN A 105 27.648 4.674 12.322 1.00 0.00 C ATOM 1819 OE1 GLN A 105 27.287 4.022 13.281 1.00 0.00 O ATOM 1820 NE2 GLN A 105 28.518 5.636 12.478 1.00 0.00 N ATOM 0 H GLN A 105 24.066 6.954 10.806 1.00 0.00 H new ATOM 0 HA GLN A 105 26.832 6.984 11.341 1.00 0.00 H new ATOM 0 HB2 GLN A 105 25.135 5.060 11.540 1.00 0.00 H new ATOM 0 HB3 GLN A 105 25.297 4.833 9.810 1.00 0.00 H new ATOM 0 HG2 GLN A 105 26.885 3.317 10.822 1.00 0.00 H new ATOM 0 HG3 GLN A 105 27.838 4.636 10.169 1.00 0.00 H new ATOM 0 HE21 GLN A 105 28.822 6.184 11.673 1.00 0.00 H new ATOM 0 HE22 GLN A 105 28.893 5.839 13.404 1.00 0.00 H new ATOM 1829 N LYS A 106 26.100 7.188 8.162 1.00 0.00 N ATOM 1830 CA LYS A 106 26.703 7.419 6.812 1.00 0.00 C ATOM 1831 C LYS A 106 25.906 8.501 6.079 1.00 0.00 C ATOM 1832 O LYS A 106 26.466 9.385 5.459 1.00 0.00 O ATOM 1833 CB LYS A 106 26.653 6.117 6.005 1.00 0.00 C ATOM 1834 CG LYS A 106 27.201 4.969 6.852 1.00 0.00 C ATOM 1835 CD LYS A 106 27.334 3.715 5.987 1.00 0.00 C ATOM 1836 CE LYS A 106 28.031 2.612 6.786 1.00 0.00 C ATOM 1837 NZ LYS A 106 28.137 1.383 5.951 1.00 0.00 N ATOM 0 H LYS A 106 25.084 7.275 8.199 1.00 0.00 H new ATOM 0 HA LYS A 106 27.738 7.741 6.924 1.00 0.00 H new ATOM 0 HB2 LYS A 106 25.628 5.903 5.704 1.00 0.00 H new ATOM 0 HB3 LYS A 106 27.239 6.220 5.092 1.00 0.00 H new ATOM 0 HG2 LYS A 106 28.171 5.241 7.268 1.00 0.00 H new ATOM 0 HG3 LYS A 106 26.536 4.774 7.694 1.00 0.00 H new ATOM 0 HD2 LYS A 106 26.349 3.377 5.664 1.00 0.00 H new ATOM 0 HD3 LYS A 106 27.904 3.941 5.086 1.00 0.00 H new ATOM 0 HE2 LYS A 106 29.023 2.943 7.093 1.00 0.00 H new ATOM 0 HE3 LYS A 106 27.471 2.399 7.696 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 28.611 0.634 6.495 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 27.185 1.065 5.680 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 28.689 1.592 5.095 1.00 0.00 H new ATOM 1851 N SER A 107 24.605 8.440 6.145 1.00 0.00 N ATOM 1852 CA SER A 107 23.775 9.467 5.453 1.00 0.00 C ATOM 1853 C SER A 107 23.948 10.818 6.150 1.00 0.00 C ATOM 1854 O SER A 107 23.181 11.718 5.852 1.00 0.00 O ATOM 1855 CB SER A 107 22.305 9.052 5.503 1.00 0.00 C ATOM 1856 OG SER A 107 22.135 7.835 4.787 1.00 0.00 O ATOM 1857 OXT SER A 107 24.844 10.928 6.971 1.00 0.00 O ATOM 0 H SER A 107 24.080 7.724 6.648 1.00 0.00 H new ATOM 0 HA SER A 107 24.094 9.551 4.414 1.00 0.00 H new ATOM 0 HB2 SER A 107 21.986 8.926 6.538 1.00 0.00 H new ATOM 0 HB3 SER A 107 21.680 9.833 5.069 1.00 0.00 H new ATOM 0 HG SER A 107 21.940 7.110 5.416 1.00 0.00 H new TER 1863 SER A 107