USER MOD reduce.3.24.130724 H: found=0, std=0, add=693, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 694 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 Single : A 22 MET CE :methyl -144:sc= -4.08! (180deg=-6.61!) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 ASN : amide:sc= 0.536 K(o=0.54,f=-2.4!) USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 LYS NZ :NH3+ -176:sc= 0.189 (180deg=0.183) USER MOD Single : A 33 GLN : amide:sc= -0.815 K(o=-0.81,f=-2!) USER MOD Single : A 36 HIS :FLIP no HD1:sc= -3.63! C(o=-5.1!,f=-3.6!) USER MOD Single : A 46 HIS : no HD1:sc= -1.36! C(o=-1.4!,f=-4.4!) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN :FLIP amide:sc= -7.48! C(o=-11!,f=-7.5!) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ -136:sc= 0 (180deg=-0.00402) USER MOD Single : A 80 ASN : amide:sc= 0 K(o=0,f=-0.81) USER MOD Single : A 82 ASN : amide:sc= -0.12 K(o=-0.12,f=-0.82) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 TYR OH : rot 165:sc= -2.42! USER MOD Single : A 93 LYS NZ :NH3+ -113:sc= 0.725 (180deg=-0.307) USER MOD Single : A 94 LYS NZ :NH3+ -146:sc= -0.242 (180deg=-1.96!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 17 0.910 18.238 3.602 1.00 0.00 N ATOM 2 CA GLY A 17 0.458 17.730 2.276 1.00 0.00 C ATOM 3 C GLY A 17 0.341 16.203 2.323 1.00 0.00 C ATOM 4 O GLY A 17 -0.607 15.627 1.830 1.00 0.00 O ATOM 0 HA2 GLY A 17 -0.504 18.171 2.015 1.00 0.00 H new ATOM 0 HA3 GLY A 17 1.165 18.027 1.501 1.00 0.00 H new ATOM 10 N GLU A 18 1.302 15.546 2.915 1.00 0.00 N ATOM 11 CA GLU A 18 1.256 14.055 2.998 1.00 0.00 C ATOM 12 C GLU A 18 1.214 13.443 1.595 1.00 0.00 C ATOM 13 O GLU A 18 0.436 13.846 0.752 1.00 0.00 O ATOM 14 CB GLU A 18 -0.027 13.731 3.762 1.00 0.00 C ATOM 15 CG GLU A 18 -0.030 14.478 5.097 1.00 0.00 C ATOM 16 CD GLU A 18 -1.373 15.186 5.282 1.00 0.00 C ATOM 17 OE1 GLU A 18 -2.301 14.850 4.564 1.00 0.00 O ATOM 18 OE2 GLU A 18 -1.451 16.051 6.138 1.00 0.00 O ATOM 0 H GLU A 18 2.119 15.978 3.346 1.00 0.00 H new ATOM 0 HA GLU A 18 2.137 13.648 3.495 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -0.897 14.018 3.171 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -0.099 12.657 3.934 1.00 0.00 H new ATOM 0 HG2 GLU A 18 0.141 13.780 5.917 1.00 0.00 H new ATOM 0 HG3 GLU A 18 0.782 15.204 5.121 1.00 0.00 H new ATOM 25 N GLU A 19 2.051 12.477 1.339 1.00 0.00 N ATOM 26 CA GLU A 19 2.073 11.842 -0.003 1.00 0.00 C ATOM 27 C GLU A 19 0.745 11.137 -0.295 1.00 0.00 C ATOM 28 O GLU A 19 0.188 11.265 -1.367 1.00 0.00 O ATOM 29 CB GLU A 19 3.214 10.826 0.062 1.00 0.00 C ATOM 30 CG GLU A 19 4.550 11.567 0.134 1.00 0.00 C ATOM 31 CD GLU A 19 5.099 11.771 -1.280 1.00 0.00 C ATOM 32 OE1 GLU A 19 4.357 11.542 -2.219 1.00 0.00 O ATOM 33 OE2 GLU A 19 6.252 12.152 -1.397 1.00 0.00 O ATOM 0 H GLU A 19 2.723 12.100 2.007 1.00 0.00 H new ATOM 0 HA GLU A 19 2.216 12.575 -0.797 1.00 0.00 H new ATOM 0 HB2 GLU A 19 3.094 10.184 0.934 1.00 0.00 H new ATOM 0 HB3 GLU A 19 3.191 10.180 -0.815 1.00 0.00 H new ATOM 0 HG2 GLU A 19 4.417 12.530 0.626 1.00 0.00 H new ATOM 0 HG3 GLU A 19 5.261 10.998 0.733 1.00 0.00 H new ATOM 40 N PHE A 20 0.243 10.378 0.641 1.00 0.00 N ATOM 41 CA PHE A 20 -1.036 9.648 0.401 1.00 0.00 C ATOM 42 C PHE A 20 -2.171 10.199 1.272 1.00 0.00 C ATOM 43 O PHE A 20 -2.059 11.257 1.860 1.00 0.00 O ATOM 44 CB PHE A 20 -0.706 8.199 0.748 1.00 0.00 C ATOM 45 CG PHE A 20 0.300 7.701 -0.261 1.00 0.00 C ATOM 46 CD1 PHE A 20 1.675 7.874 -0.035 1.00 0.00 C ATOM 47 CD2 PHE A 20 -0.142 7.090 -1.441 1.00 0.00 C ATOM 48 CE1 PHE A 20 2.600 7.433 -0.988 1.00 0.00 C ATOM 49 CE2 PHE A 20 0.785 6.654 -2.394 1.00 0.00 C ATOM 50 CZ PHE A 20 2.155 6.825 -2.168 1.00 0.00 C ATOM 0 H PHE A 20 0.662 10.232 1.560 1.00 0.00 H new ATOM 0 HA PHE A 20 -1.393 9.756 -0.623 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -0.301 8.131 1.757 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -1.607 7.586 0.724 1.00 0.00 H new ATOM 0 HD1 PHE A 20 2.018 8.347 0.873 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -1.199 6.955 -1.616 1.00 0.00 H new ATOM 0 HE1 PHE A 20 3.658 7.562 -0.813 1.00 0.00 H new ATOM 0 HE2 PHE A 20 0.443 6.185 -3.305 1.00 0.00 H new ATOM 0 HZ PHE A 20 2.870 6.488 -2.904 1.00 0.00 H new ATOM 60 N ARG A 21 -3.278 9.503 1.330 1.00 0.00 N ATOM 61 CA ARG A 21 -4.440 9.997 2.128 1.00 0.00 C ATOM 62 C ARG A 21 -4.426 9.454 3.561 1.00 0.00 C ATOM 63 O ARG A 21 -4.413 10.205 4.516 1.00 0.00 O ATOM 64 CB ARG A 21 -5.664 9.471 1.385 1.00 0.00 C ATOM 65 CG ARG A 21 -6.286 10.596 0.562 1.00 0.00 C ATOM 66 CD ARG A 21 -7.745 10.784 0.983 1.00 0.00 C ATOM 67 NE ARG A 21 -8.418 11.365 -0.212 1.00 0.00 N ATOM 68 CZ ARG A 21 -9.328 12.289 -0.061 1.00 0.00 C ATOM 69 NH1 ARG A 21 -10.513 11.974 0.382 1.00 0.00 N ATOM 70 NH2 ARG A 21 -9.051 13.530 -0.359 1.00 0.00 N ATOM 0 H ARG A 21 -3.427 8.611 0.858 1.00 0.00 H new ATOM 0 HA ARG A 21 -4.424 11.083 2.219 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -5.379 8.645 0.734 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -6.393 9.080 2.095 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -5.730 11.522 0.712 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -6.230 10.359 -0.500 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -8.199 9.835 1.269 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -7.825 11.448 1.843 1.00 0.00 H new ATOM 0 HE ARG A 21 -8.168 11.042 -1.147 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -10.731 11.004 0.611 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -11.223 12.697 0.499 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -8.125 13.776 -0.709 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -9.761 14.253 -0.242 1.00 0.00 H new ATOM 84 N MET A 22 -4.463 8.161 3.724 1.00 0.00 N ATOM 85 CA MET A 22 -4.486 7.587 5.102 1.00 0.00 C ATOM 86 C MET A 22 -3.082 7.526 5.699 1.00 0.00 C ATOM 87 O MET A 22 -2.092 7.598 4.999 1.00 0.00 O ATOM 88 CB MET A 22 -5.051 6.179 4.932 1.00 0.00 C ATOM 89 CG MET A 22 -6.471 6.262 4.376 1.00 0.00 C ATOM 90 SD MET A 22 -7.142 4.594 4.194 1.00 0.00 S ATOM 91 CE MET A 22 -7.152 4.559 2.387 1.00 0.00 C ATOM 0 H MET A 22 -4.478 7.478 2.967 1.00 0.00 H new ATOM 0 HA MET A 22 -5.082 8.197 5.781 1.00 0.00 H new ATOM 0 HB2 MET A 22 -4.419 5.601 4.258 1.00 0.00 H new ATOM 0 HB3 MET A 22 -5.054 5.659 5.890 1.00 0.00 H new ATOM 0 HG2 MET A 22 -7.101 6.849 5.044 1.00 0.00 H new ATOM 0 HG3 MET A 22 -6.467 6.772 3.412 1.00 0.00 H new ATOM 0 HE1 MET A 22 -8.025 4.007 2.039 1.00 0.00 H new ATOM 0 HE2 MET A 22 -7.191 5.579 2.004 1.00 0.00 H new ATOM 0 HE3 MET A 22 -6.246 4.071 2.028 1.00 0.00 H new ATOM 101 N GLU A 23 -2.991 7.382 6.994 1.00 0.00 N ATOM 102 CA GLU A 23 -1.652 7.307 7.637 1.00 0.00 C ATOM 103 C GLU A 23 -1.033 5.933 7.381 1.00 0.00 C ATOM 104 O GLU A 23 0.127 5.706 7.656 1.00 0.00 O ATOM 105 CB GLU A 23 -1.903 7.512 9.128 1.00 0.00 C ATOM 106 CG GLU A 23 -0.628 7.175 9.907 1.00 0.00 C ATOM 107 CD GLU A 23 -0.846 7.450 11.395 1.00 0.00 C ATOM 108 OE1 GLU A 23 -1.968 7.295 11.849 1.00 0.00 O ATOM 109 OE2 GLU A 23 0.113 7.812 12.058 1.00 0.00 O ATOM 0 H GLU A 23 -3.785 7.313 7.631 1.00 0.00 H new ATOM 0 HA GLU A 23 -0.962 8.053 7.243 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -2.198 8.543 9.320 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -2.725 6.878 9.461 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -0.364 6.128 9.756 1.00 0.00 H new ATOM 0 HG3 GLU A 23 0.205 7.771 9.535 1.00 0.00 H new ATOM 116 N LYS A 24 -1.793 5.016 6.846 1.00 0.00 N ATOM 117 CA LYS A 24 -1.225 3.670 6.562 1.00 0.00 C ATOM 118 C LYS A 24 -0.337 3.770 5.318 1.00 0.00 C ATOM 119 O LYS A 24 0.814 3.373 5.329 1.00 0.00 O ATOM 120 CB LYS A 24 -2.440 2.746 6.352 1.00 0.00 C ATOM 121 CG LYS A 24 -2.826 2.668 4.871 1.00 0.00 C ATOM 122 CD LYS A 24 -3.853 1.552 4.673 1.00 0.00 C ATOM 123 CE LYS A 24 -5.266 2.124 4.809 1.00 0.00 C ATOM 124 NZ LYS A 24 -6.146 0.936 4.980 1.00 0.00 N ATOM 0 H LYS A 24 -2.774 5.140 6.596 1.00 0.00 H new ATOM 0 HA LYS A 24 -0.600 3.278 7.364 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -2.210 1.748 6.724 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -3.286 3.115 6.932 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -3.240 3.621 4.541 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -1.942 2.476 4.263 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -3.727 1.098 3.690 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -3.696 0.765 5.410 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -5.339 2.796 5.664 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -5.546 2.699 3.926 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -7.133 1.247 5.080 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -6.060 0.318 4.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -5.860 0.412 5.832 1.00 0.00 H new ATOM 138 N LEU A 25 -0.848 4.338 4.258 1.00 0.00 N ATOM 139 CA LEU A 25 -0.017 4.504 3.036 1.00 0.00 C ATOM 140 C LEU A 25 1.118 5.464 3.363 1.00 0.00 C ATOM 141 O LEU A 25 2.276 5.184 3.128 1.00 0.00 O ATOM 142 CB LEU A 25 -0.946 5.113 1.983 1.00 0.00 C ATOM 143 CG LEU A 25 -2.115 4.166 1.684 1.00 0.00 C ATOM 144 CD1 LEU A 25 -2.718 4.530 0.328 1.00 0.00 C ATOM 145 CD2 LEU A 25 -1.626 2.717 1.637 1.00 0.00 C ATOM 0 H LEU A 25 -1.802 4.692 4.188 1.00 0.00 H new ATOM 0 HA LEU A 25 0.412 3.567 2.680 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -1.328 6.071 2.337 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -0.388 5.311 1.068 1.00 0.00 H new ATOM 0 HG LEU A 25 -2.863 4.266 2.471 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -3.550 3.861 0.108 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -3.077 5.559 0.354 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -1.958 4.430 -0.447 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -2.466 2.056 1.424 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -0.874 2.612 0.855 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -1.189 2.449 2.599 1.00 0.00 H new ATOM 157 N ASN A 26 0.791 6.592 3.932 1.00 0.00 N ATOM 158 CA ASN A 26 1.852 7.561 4.303 1.00 0.00 C ATOM 159 C ASN A 26 2.953 6.818 5.053 1.00 0.00 C ATOM 160 O ASN A 26 4.080 6.766 4.617 1.00 0.00 O ATOM 161 CB ASN A 26 1.165 8.578 5.217 1.00 0.00 C ATOM 162 CG ASN A 26 0.544 9.689 4.371 1.00 0.00 C ATOM 163 OD1 ASN A 26 1.204 10.275 3.535 1.00 0.00 O ATOM 164 ND2 ASN A 26 -0.708 10.008 4.555 1.00 0.00 N ATOM 0 H ASN A 26 -0.162 6.881 4.154 1.00 0.00 H new ATOM 0 HA ASN A 26 2.306 8.050 3.441 1.00 0.00 H new ATOM 0 HB2 ASN A 26 0.395 8.086 5.812 1.00 0.00 H new ATOM 0 HB3 ASN A 26 1.887 9.000 5.916 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -1.133 10.749 3.997 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -1.262 9.516 5.256 1.00 0.00 H new ATOM 171 N GLN A 27 2.624 6.230 6.175 1.00 0.00 N ATOM 172 CA GLN A 27 3.642 5.474 6.962 1.00 0.00 C ATOM 173 C GLN A 27 4.424 4.531 6.045 1.00 0.00 C ATOM 174 O GLN A 27 5.628 4.398 6.154 1.00 0.00 O ATOM 175 CB GLN A 27 2.841 4.671 7.987 1.00 0.00 C ATOM 176 CG GLN A 27 2.740 5.462 9.293 1.00 0.00 C ATOM 177 CD GLN A 27 3.297 4.621 10.444 1.00 0.00 C ATOM 178 OE1 GLN A 27 4.489 4.610 10.682 1.00 0.00 O ATOM 179 NE2 GLN A 27 2.479 3.915 11.176 1.00 0.00 N ATOM 0 H GLN A 27 1.688 6.242 6.581 1.00 0.00 H new ATOM 0 HA GLN A 27 4.366 6.136 7.437 1.00 0.00 H new ATOM 0 HB2 GLN A 27 1.844 4.460 7.600 1.00 0.00 H new ATOM 0 HB3 GLN A 27 3.323 3.710 8.168 1.00 0.00 H new ATOM 0 HG2 GLN A 27 3.296 6.396 9.209 1.00 0.00 H new ATOM 0 HG3 GLN A 27 1.701 5.726 9.491 1.00 0.00 H new ATOM 0 HE21 GLN A 27 1.479 3.924 10.976 1.00 0.00 H new ATOM 0 HE22 GLN A 27 2.840 3.354 11.948 1.00 0.00 H new ATOM 188 N LEU A 28 3.753 3.869 5.139 1.00 0.00 N ATOM 189 CA LEU A 28 4.471 2.941 4.221 1.00 0.00 C ATOM 190 C LEU A 28 5.472 3.722 3.377 1.00 0.00 C ATOM 191 O LEU A 28 6.662 3.664 3.595 1.00 0.00 O ATOM 192 CB LEU A 28 3.386 2.325 3.328 1.00 0.00 C ATOM 193 CG LEU A 28 3.343 0.812 3.540 1.00 0.00 C ATOM 194 CD1 LEU A 28 2.144 0.453 4.421 1.00 0.00 C ATOM 195 CD2 LEU A 28 3.205 0.113 2.185 1.00 0.00 C ATOM 0 H LEU A 28 2.745 3.931 4.997 1.00 0.00 H new ATOM 0 HA LEU A 28 5.027 2.176 4.763 1.00 0.00 H new ATOM 0 HB2 LEU A 28 2.416 2.763 3.563 1.00 0.00 H new ATOM 0 HB3 LEU A 28 3.592 2.550 2.281 1.00 0.00 H new ATOM 0 HG LEU A 28 4.262 0.487 4.027 1.00 0.00 H new ATOM 0 HD11 LEU A 28 2.114 -0.626 4.572 1.00 0.00 H new ATOM 0 HD12 LEU A 28 2.239 0.952 5.385 1.00 0.00 H new ATOM 0 HD13 LEU A 28 1.224 0.777 3.934 1.00 0.00 H new ATOM 0 HD21 LEU A 28 3.174 -0.966 2.334 1.00 0.00 H new ATOM 0 HD22 LEU A 28 2.285 0.439 1.700 1.00 0.00 H new ATOM 0 HD23 LEU A 28 4.057 0.368 1.555 1.00 0.00 H new ATOM 207 N TRP A 29 4.988 4.459 2.422 1.00 0.00 N ATOM 208 CA TRP A 29 5.883 5.265 1.548 1.00 0.00 C ATOM 209 C TRP A 29 7.034 5.888 2.360 1.00 0.00 C ATOM 210 O TRP A 29 8.208 5.601 2.139 1.00 0.00 O ATOM 211 CB TRP A 29 4.945 6.337 1.003 1.00 0.00 C ATOM 212 CG TRP A 29 5.711 7.362 0.252 1.00 0.00 C ATOM 213 CD1 TRP A 29 5.715 8.675 0.548 1.00 0.00 C ATOM 214 CD2 TRP A 29 6.565 7.194 -0.913 1.00 0.00 C ATOM 215 NE1 TRP A 29 6.525 9.335 -0.359 1.00 0.00 N ATOM 216 CE2 TRP A 29 7.073 8.461 -1.282 1.00 0.00 C ATOM 217 CE3 TRP A 29 6.947 6.076 -1.677 1.00 0.00 C ATOM 218 CZ2 TRP A 29 7.930 8.613 -2.374 1.00 0.00 C ATOM 219 CZ3 TRP A 29 7.807 6.225 -2.775 1.00 0.00 C ATOM 220 CH2 TRP A 29 8.299 7.490 -3.122 1.00 0.00 C ATOM 0 H TRP A 29 3.995 4.539 2.205 1.00 0.00 H new ATOM 0 HA TRP A 29 6.368 4.681 0.766 1.00 0.00 H new ATOM 0 HB2 TRP A 29 4.200 5.880 0.351 1.00 0.00 H new ATOM 0 HB3 TRP A 29 4.404 6.807 1.824 1.00 0.00 H new ATOM 0 HD1 TRP A 29 5.174 9.138 1.360 1.00 0.00 H new ATOM 0 HE1 TRP A 29 6.697 10.340 -0.349 1.00 0.00 H new ATOM 0 HE3 TRP A 29 6.575 5.096 -1.416 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 8.305 9.590 -2.639 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 8.091 5.360 -3.356 1.00 0.00 H new ATOM 0 HH2 TRP A 29 8.963 7.598 -3.967 1.00 0.00 H new ATOM 231 N GLU A 30 6.720 6.739 3.301 1.00 0.00 N ATOM 232 CA GLU A 30 7.799 7.358 4.109 1.00 0.00 C ATOM 233 C GLU A 30 8.766 6.270 4.571 1.00 0.00 C ATOM 234 O GLU A 30 9.967 6.427 4.495 1.00 0.00 O ATOM 235 CB GLU A 30 7.101 8.012 5.298 1.00 0.00 C ATOM 236 CG GLU A 30 6.215 6.988 5.992 1.00 0.00 C ATOM 237 CD GLU A 30 6.987 6.339 7.142 1.00 0.00 C ATOM 238 OE1 GLU A 30 8.202 6.448 7.147 1.00 0.00 O ATOM 239 OE2 GLU A 30 6.351 5.746 7.997 1.00 0.00 O ATOM 0 H GLU A 30 5.771 7.027 3.540 1.00 0.00 H new ATOM 0 HA GLU A 30 8.376 8.092 3.547 1.00 0.00 H new ATOM 0 HB2 GLU A 30 7.840 8.403 5.997 1.00 0.00 H new ATOM 0 HB3 GLU A 30 6.502 8.858 4.961 1.00 0.00 H new ATOM 0 HG2 GLU A 30 5.314 7.469 6.371 1.00 0.00 H new ATOM 0 HG3 GLU A 30 5.895 6.227 5.280 1.00 0.00 H new ATOM 246 N LYS A 31 8.259 5.153 5.028 1.00 0.00 N ATOM 247 CA LYS A 31 9.179 4.067 5.456 1.00 0.00 C ATOM 248 C LYS A 31 10.101 3.731 4.286 1.00 0.00 C ATOM 249 O LYS A 31 11.300 3.615 4.437 1.00 0.00 O ATOM 250 CB LYS A 31 8.287 2.879 5.810 1.00 0.00 C ATOM 251 CG LYS A 31 9.029 1.976 6.800 1.00 0.00 C ATOM 252 CD LYS A 31 8.020 1.161 7.608 1.00 0.00 C ATOM 253 CE LYS A 31 8.080 -0.298 7.158 1.00 0.00 C ATOM 254 NZ LYS A 31 7.878 -1.093 8.402 1.00 0.00 N ATOM 0 H LYS A 31 7.263 4.951 5.121 1.00 0.00 H new ATOM 0 HA LYS A 31 9.800 4.344 6.308 1.00 0.00 H new ATOM 0 HB2 LYS A 31 7.351 3.228 6.247 1.00 0.00 H new ATOM 0 HB3 LYS A 31 8.030 2.320 4.910 1.00 0.00 H new ATOM 0 HG2 LYS A 31 9.704 1.309 6.264 1.00 0.00 H new ATOM 0 HG3 LYS A 31 9.642 2.580 7.469 1.00 0.00 H new ATOM 0 HD2 LYS A 31 8.243 1.236 8.672 1.00 0.00 H new ATOM 0 HD3 LYS A 31 7.015 1.558 7.464 1.00 0.00 H new ATOM 0 HE2 LYS A 31 7.308 -0.516 6.420 1.00 0.00 H new ATOM 0 HE3 LYS A 31 9.039 -0.529 6.693 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 7.974 -2.106 8.186 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 8.592 -0.820 9.108 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 6.927 -0.908 8.781 1.00 0.00 H new ATOM 268 N ALA A 32 9.549 3.607 3.106 1.00 0.00 N ATOM 269 CA ALA A 32 10.394 3.321 1.924 1.00 0.00 C ATOM 270 C ALA A 32 11.576 4.274 1.954 1.00 0.00 C ATOM 271 O ALA A 32 12.715 3.884 1.790 1.00 0.00 O ATOM 272 CB ALA A 32 9.503 3.608 0.715 1.00 0.00 C ATOM 0 H ALA A 32 8.550 3.693 2.917 1.00 0.00 H new ATOM 0 HA ALA A 32 10.774 2.300 1.896 1.00 0.00 H new ATOM 0 HB1 ALA A 32 10.061 3.418 -0.202 1.00 0.00 H new ATOM 0 HB2 ALA A 32 8.627 2.960 0.747 1.00 0.00 H new ATOM 0 HB3 ALA A 32 9.185 4.650 0.737 1.00 0.00 H new ATOM 278 N GLN A 33 11.309 5.529 2.190 1.00 0.00 N ATOM 279 CA GLN A 33 12.427 6.512 2.261 1.00 0.00 C ATOM 280 C GLN A 33 13.372 6.120 3.402 1.00 0.00 C ATOM 281 O GLN A 33 14.578 6.196 3.277 1.00 0.00 O ATOM 282 CB GLN A 33 11.766 7.859 2.546 1.00 0.00 C ATOM 283 CG GLN A 33 10.895 8.256 1.357 1.00 0.00 C ATOM 284 CD GLN A 33 9.912 9.345 1.779 1.00 0.00 C ATOM 285 OE1 GLN A 33 10.085 9.978 2.801 1.00 0.00 O ATOM 286 NE2 GLN A 33 8.880 9.589 1.024 1.00 0.00 N ATOM 0 H GLN A 33 10.376 5.914 2.335 1.00 0.00 H new ATOM 0 HA GLN A 33 13.015 6.547 1.344 1.00 0.00 H new ATOM 0 HB2 GLN A 33 11.160 7.796 3.450 1.00 0.00 H new ATOM 0 HB3 GLN A 33 12.526 8.619 2.724 1.00 0.00 H new ATOM 0 HG2 GLN A 33 11.521 8.614 0.539 1.00 0.00 H new ATOM 0 HG3 GLN A 33 10.352 7.387 0.986 1.00 0.00 H new ATOM 0 HE21 GLN A 33 8.738 9.055 0.166 1.00 0.00 H new ATOM 0 HE22 GLN A 33 8.213 10.314 1.290 1.00 0.00 H new ATOM 295 N ARG A 34 12.827 5.688 4.509 1.00 0.00 N ATOM 296 CA ARG A 34 13.687 5.277 5.656 1.00 0.00 C ATOM 297 C ARG A 34 14.572 4.100 5.237 1.00 0.00 C ATOM 298 O ARG A 34 15.647 3.896 5.765 1.00 0.00 O ATOM 299 CB ARG A 34 12.714 4.859 6.757 1.00 0.00 C ATOM 300 CG ARG A 34 13.498 4.440 8.003 1.00 0.00 C ATOM 301 CD ARG A 34 14.192 5.662 8.609 1.00 0.00 C ATOM 302 NE ARG A 34 13.872 5.603 10.063 1.00 0.00 N ATOM 303 CZ ARG A 34 14.787 5.240 10.920 1.00 0.00 C ATOM 304 NH1 ARG A 34 15.705 6.088 11.294 1.00 0.00 N ATOM 305 NH2 ARG A 34 14.784 4.028 11.403 1.00 0.00 N ATOM 0 H ARG A 34 11.823 5.602 4.668 1.00 0.00 H new ATOM 0 HA ARG A 34 14.349 6.075 5.991 1.00 0.00 H new ATOM 0 HB2 ARG A 34 12.044 5.685 6.997 1.00 0.00 H new ATOM 0 HB3 ARG A 34 12.091 4.033 6.412 1.00 0.00 H new ATOM 0 HG2 ARG A 34 12.825 3.992 8.734 1.00 0.00 H new ATOM 0 HG3 ARG A 34 14.237 3.682 7.742 1.00 0.00 H new ATOM 0 HD2 ARG A 34 15.268 5.629 8.440 1.00 0.00 H new ATOM 0 HD3 ARG A 34 13.827 6.586 8.161 1.00 0.00 H new ATOM 0 HE ARG A 34 12.937 5.847 10.389 1.00 0.00 H new ATOM 0 HH11 ARG A 34 15.708 7.036 10.917 1.00 0.00 H new ATOM 0 HH12 ARG A 34 16.420 5.803 11.964 1.00 0.00 H new ATOM 0 HH21 ARG A 34 14.067 3.364 11.111 1.00 0.00 H new ATOM 0 HH22 ARG A 34 15.499 3.744 12.073 1.00 0.00 H new ATOM 319 N LEU A 35 14.132 3.334 4.271 1.00 0.00 N ATOM 320 CA LEU A 35 14.951 2.182 3.794 1.00 0.00 C ATOM 321 C LEU A 35 15.891 2.654 2.683 1.00 0.00 C ATOM 322 O LEU A 35 16.315 1.888 1.839 1.00 0.00 O ATOM 323 CB LEU A 35 13.943 1.165 3.259 1.00 0.00 C ATOM 324 CG LEU A 35 13.302 0.423 4.434 1.00 0.00 C ATOM 325 CD1 LEU A 35 12.145 1.253 4.990 1.00 0.00 C ATOM 326 CD2 LEU A 35 12.776 -0.933 3.959 1.00 0.00 C ATOM 0 H LEU A 35 13.240 3.458 3.792 1.00 0.00 H new ATOM 0 HA LEU A 35 15.569 1.750 4.581 1.00 0.00 H new ATOM 0 HB2 LEU A 35 13.177 1.670 2.671 1.00 0.00 H new ATOM 0 HB3 LEU A 35 14.440 0.458 2.595 1.00 0.00 H new ATOM 0 HG LEU A 35 14.047 0.268 5.215 1.00 0.00 H new ATOM 0 HD11 LEU A 35 11.688 0.725 5.827 1.00 0.00 H new ATOM 0 HD12 LEU A 35 12.520 2.218 5.331 1.00 0.00 H new ATOM 0 HD13 LEU A 35 11.401 1.409 4.209 1.00 0.00 H new ATOM 0 HD21 LEU A 35 12.320 -1.460 4.797 1.00 0.00 H new ATOM 0 HD22 LEU A 35 12.032 -0.781 3.177 1.00 0.00 H new ATOM 0 HD23 LEU A 35 13.601 -1.525 3.564 1.00 0.00 H new ATOM 338 N HIS A 36 16.218 3.919 2.692 1.00 0.00 N ATOM 339 CA HIS A 36 17.135 4.495 1.661 1.00 0.00 C ATOM 340 C HIS A 36 16.950 3.825 0.296 1.00 0.00 C ATOM 341 O HIS A 36 17.896 3.658 -0.447 1.00 0.00 O ATOM 342 CB HIS A 36 18.559 4.263 2.191 1.00 0.00 C ATOM 343 CG HIS A 36 18.661 2.920 2.859 1.00 0.00 C ATOM 344 ND1 HIS A 36 18.285 2.486 4.107 1.00 0.00 N flip ATOM 345 CD2 HIS A 36 19.221 1.819 2.230 1.00 0.00 C flip ATOM 346 CE1 HIS A 36 18.606 1.141 4.252 1.00 0.00 C flip ATOM 347 NE2 HIS A 36 19.169 0.788 3.093 1.00 0.00 N flip ATOM 0 H HIS A 36 15.883 4.591 3.383 1.00 0.00 H new ATOM 0 HA HIS A 36 16.926 5.553 1.505 1.00 0.00 H new ATOM 0 HB2 HIS A 36 19.273 4.322 1.370 1.00 0.00 H new ATOM 0 HB3 HIS A 36 18.822 5.049 2.899 1.00 0.00 H new ATOM 0 HD2 HIS A 36 19.626 1.793 1.229 1.00 0.00 H new ATOM 0 HE1 HIS A 36 18.437 0.516 5.116 1.00 0.00 H new ATOM 0 HE2 HIS A 36 19.517 -0.149 2.887 1.00 0.00 H new ATOM 355 N LEU A 37 15.745 3.461 -0.061 1.00 0.00 N ATOM 356 CA LEU A 37 15.544 2.837 -1.399 1.00 0.00 C ATOM 357 C LEU A 37 16.107 3.766 -2.476 1.00 0.00 C ATOM 358 O LEU A 37 16.325 4.936 -2.229 1.00 0.00 O ATOM 359 CB LEU A 37 14.026 2.731 -1.580 1.00 0.00 C ATOM 360 CG LEU A 37 13.458 1.541 -0.804 1.00 0.00 C ATOM 361 CD1 LEU A 37 11.936 1.569 -0.914 1.00 0.00 C ATOM 362 CD2 LEU A 37 13.963 0.232 -1.405 1.00 0.00 C ATOM 0 H LEU A 37 14.905 3.567 0.507 1.00 0.00 H new ATOM 0 HA LEU A 37 16.038 1.868 -1.476 1.00 0.00 H new ATOM 0 HB2 LEU A 37 13.551 3.651 -1.239 1.00 0.00 H new ATOM 0 HB3 LEU A 37 13.790 2.624 -2.639 1.00 0.00 H new ATOM 0 HG LEU A 37 13.774 1.607 0.237 1.00 0.00 H new ATOM 0 HD11 LEU A 37 11.516 0.726 -0.365 1.00 0.00 H new ATOM 0 HD12 LEU A 37 11.558 2.501 -0.493 1.00 0.00 H new ATOM 0 HD13 LEU A 37 11.646 1.500 -1.962 1.00 0.00 H new ATOM 0 HD21 LEU A 37 13.552 -0.608 -0.845 1.00 0.00 H new ATOM 0 HD22 LEU A 37 13.646 0.163 -2.446 1.00 0.00 H new ATOM 0 HD23 LEU A 37 15.051 0.204 -1.354 1.00 0.00 H new ATOM 374 N PRO A 38 16.283 3.226 -3.646 1.00 0.00 N ATOM 375 CA PRO A 38 16.768 4.032 -4.782 1.00 0.00 C ATOM 376 C PRO A 38 15.577 4.802 -5.356 1.00 0.00 C ATOM 377 O PRO A 38 14.457 4.589 -4.939 1.00 0.00 O ATOM 378 CB PRO A 38 17.280 2.990 -5.769 1.00 0.00 C ATOM 379 CG PRO A 38 16.524 1.738 -5.449 1.00 0.00 C ATOM 380 CD PRO A 38 16.057 1.832 -4.014 1.00 0.00 C ATOM 0 HA PRO A 38 17.540 4.759 -4.529 1.00 0.00 H new ATOM 0 HB2 PRO A 38 17.104 3.303 -6.798 1.00 0.00 H new ATOM 0 HB3 PRO A 38 18.354 2.840 -5.660 1.00 0.00 H new ATOM 0 HG2 PRO A 38 15.673 1.624 -6.121 1.00 0.00 H new ATOM 0 HG3 PRO A 38 17.159 0.863 -5.587 1.00 0.00 H new ATOM 0 HD2 PRO A 38 15.005 1.563 -3.921 1.00 0.00 H new ATOM 0 HD3 PRO A 38 16.618 1.155 -3.369 1.00 0.00 H new ATOM 388 N PRO A 39 15.837 5.670 -6.288 1.00 0.00 N ATOM 389 CA PRO A 39 14.738 6.462 -6.888 1.00 0.00 C ATOM 390 C PRO A 39 13.835 5.569 -7.746 1.00 0.00 C ATOM 391 O PRO A 39 12.645 5.796 -7.851 1.00 0.00 O ATOM 392 CB PRO A 39 15.467 7.502 -7.731 1.00 0.00 C ATOM 393 CG PRO A 39 16.796 6.888 -8.036 1.00 0.00 C ATOM 394 CD PRO A 39 17.143 5.996 -6.872 1.00 0.00 C ATOM 0 HA PRO A 39 14.079 6.916 -6.148 1.00 0.00 H new ATOM 0 HB2 PRO A 39 14.916 7.726 -8.645 1.00 0.00 H new ATOM 0 HB3 PRO A 39 15.581 8.441 -7.189 1.00 0.00 H new ATOM 0 HG2 PRO A 39 16.753 6.315 -8.962 1.00 0.00 H new ATOM 0 HG3 PRO A 39 17.555 7.658 -8.172 1.00 0.00 H new ATOM 0 HD2 PRO A 39 17.672 5.100 -7.197 1.00 0.00 H new ATOM 0 HD3 PRO A 39 17.788 6.505 -6.155 1.00 0.00 H new ATOM 402 N VAL A 40 14.382 4.551 -8.354 1.00 0.00 N ATOM 403 CA VAL A 40 13.536 3.655 -9.196 1.00 0.00 C ATOM 404 C VAL A 40 12.551 2.875 -8.321 1.00 0.00 C ATOM 405 O VAL A 40 11.379 2.790 -8.625 1.00 0.00 O ATOM 406 CB VAL A 40 14.511 2.708 -9.897 1.00 0.00 C ATOM 407 CG1 VAL A 40 14.982 1.624 -8.928 1.00 0.00 C ATOM 408 CG2 VAL A 40 13.804 2.052 -11.085 1.00 0.00 C ATOM 0 H VAL A 40 15.370 4.302 -8.305 1.00 0.00 H new ATOM 0 HA VAL A 40 12.940 4.216 -9.916 1.00 0.00 H new ATOM 0 HB VAL A 40 15.376 3.275 -10.242 1.00 0.00 H new ATOM 0 HG11 VAL A 40 15.676 0.956 -9.439 1.00 0.00 H new ATOM 0 HG12 VAL A 40 15.484 2.088 -8.079 1.00 0.00 H new ATOM 0 HG13 VAL A 40 14.123 1.054 -8.574 1.00 0.00 H new ATOM 0 HG21 VAL A 40 14.493 1.375 -11.590 1.00 0.00 H new ATOM 0 HG22 VAL A 40 12.940 1.491 -10.730 1.00 0.00 H new ATOM 0 HG23 VAL A 40 13.475 2.822 -11.783 1.00 0.00 H new ATOM 418 N ARG A 41 13.007 2.304 -7.238 1.00 0.00 N ATOM 419 CA ARG A 41 12.085 1.539 -6.363 1.00 0.00 C ATOM 420 C ARG A 41 11.113 2.486 -5.669 1.00 0.00 C ATOM 421 O ARG A 41 10.000 2.123 -5.354 1.00 0.00 O ATOM 422 CB ARG A 41 12.998 0.863 -5.349 1.00 0.00 C ATOM 423 CG ARG A 41 13.060 -0.629 -5.656 1.00 0.00 C ATOM 424 CD ARG A 41 13.401 -1.398 -4.388 1.00 0.00 C ATOM 425 NE ARG A 41 14.815 -1.056 -4.083 1.00 0.00 N ATOM 426 CZ ARG A 41 15.767 -1.898 -4.376 1.00 0.00 C ATOM 427 NH1 ARG A 41 16.129 -2.802 -3.508 1.00 0.00 N ATOM 428 NH2 ARG A 41 16.357 -1.836 -5.539 1.00 0.00 N ATOM 0 H ARG A 41 13.977 2.337 -6.926 1.00 0.00 H new ATOM 0 HA ARG A 41 11.480 0.820 -6.915 1.00 0.00 H new ATOM 0 HB2 ARG A 41 13.996 1.298 -5.392 1.00 0.00 H new ATOM 0 HB3 ARG A 41 12.623 1.024 -4.338 1.00 0.00 H new ATOM 0 HG2 ARG A 41 12.103 -0.969 -6.053 1.00 0.00 H new ATOM 0 HG3 ARG A 41 13.810 -0.822 -6.423 1.00 0.00 H new ATOM 0 HD2 ARG A 41 12.743 -1.113 -3.567 1.00 0.00 H new ATOM 0 HD3 ARG A 41 13.280 -2.471 -4.536 1.00 0.00 H new ATOM 0 HE ARG A 41 15.041 -0.163 -3.645 1.00 0.00 H new ATOM 0 HH11 ARG A 41 15.667 -2.851 -2.600 1.00 0.00 H new ATOM 0 HH12 ARG A 41 16.874 -3.460 -3.738 1.00 0.00 H new ATOM 0 HH21 ARG A 41 16.073 -1.129 -6.218 1.00 0.00 H new ATOM 0 HH22 ARG A 41 17.102 -2.494 -5.769 1.00 0.00 H new ATOM 442 N LEU A 42 11.519 3.703 -5.439 1.00 0.00 N ATOM 443 CA LEU A 42 10.605 4.673 -4.778 1.00 0.00 C ATOM 444 C LEU A 42 9.606 5.202 -5.800 1.00 0.00 C ATOM 445 O LEU A 42 8.508 5.592 -5.463 1.00 0.00 O ATOM 446 CB LEU A 42 11.504 5.797 -4.277 1.00 0.00 C ATOM 447 CG LEU A 42 12.339 5.290 -3.106 1.00 0.00 C ATOM 448 CD1 LEU A 42 13.637 6.094 -3.041 1.00 0.00 C ATOM 449 CD2 LEU A 42 11.553 5.472 -1.801 1.00 0.00 C ATOM 0 H LEU A 42 12.441 4.067 -5.679 1.00 0.00 H new ATOM 0 HA LEU A 42 10.036 4.225 -3.963 1.00 0.00 H new ATOM 0 HB2 LEU A 42 12.155 6.143 -5.080 1.00 0.00 H new ATOM 0 HB3 LEU A 42 10.901 6.650 -3.966 1.00 0.00 H new ATOM 0 HG LEU A 42 12.567 4.233 -3.241 1.00 0.00 H new ATOM 0 HD11 LEU A 42 14.243 5.740 -2.207 1.00 0.00 H new ATOM 0 HD12 LEU A 42 14.191 5.967 -3.971 1.00 0.00 H new ATOM 0 HD13 LEU A 42 13.405 7.149 -2.899 1.00 0.00 H new ATOM 0 HD21 LEU A 42 12.149 5.110 -0.964 1.00 0.00 H new ATOM 0 HD22 LEU A 42 11.328 6.529 -1.656 1.00 0.00 H new ATOM 0 HD23 LEU A 42 10.622 4.907 -1.855 1.00 0.00 H new ATOM 461 N ALA A 43 9.974 5.203 -7.053 1.00 0.00 N ATOM 462 CA ALA A 43 9.030 5.688 -8.098 1.00 0.00 C ATOM 463 C ALA A 43 7.984 4.603 -8.359 1.00 0.00 C ATOM 464 O ALA A 43 6.793 4.847 -8.323 1.00 0.00 O ATOM 465 CB ALA A 43 9.888 5.924 -9.341 1.00 0.00 C ATOM 0 H ALA A 43 10.882 4.891 -7.396 1.00 0.00 H new ATOM 0 HA ALA A 43 8.503 6.596 -7.807 1.00 0.00 H new ATOM 0 HB1 ALA A 43 9.258 6.284 -10.155 1.00 0.00 H new ATOM 0 HB2 ALA A 43 10.654 6.667 -9.119 1.00 0.00 H new ATOM 0 HB3 ALA A 43 10.365 4.989 -9.637 1.00 0.00 H new ATOM 471 N GLU A 44 8.425 3.395 -8.593 1.00 0.00 N ATOM 472 CA GLU A 44 7.462 2.285 -8.825 1.00 0.00 C ATOM 473 C GLU A 44 6.684 2.040 -7.535 1.00 0.00 C ATOM 474 O GLU A 44 5.505 1.747 -7.549 1.00 0.00 O ATOM 475 CB GLU A 44 8.325 1.075 -9.183 1.00 0.00 C ATOM 476 CG GLU A 44 9.018 1.326 -10.524 1.00 0.00 C ATOM 477 CD GLU A 44 9.314 -0.012 -11.205 1.00 0.00 C ATOM 478 OE1 GLU A 44 8.568 -0.950 -10.976 1.00 0.00 O ATOM 479 OE2 GLU A 44 10.282 -0.076 -11.945 1.00 0.00 O ATOM 0 H GLU A 44 9.410 3.132 -8.633 1.00 0.00 H new ATOM 0 HA GLU A 44 6.740 2.497 -9.614 1.00 0.00 H new ATOM 0 HB2 GLU A 44 9.067 0.900 -8.404 1.00 0.00 H new ATOM 0 HB3 GLU A 44 7.708 0.178 -9.242 1.00 0.00 H new ATOM 0 HG2 GLU A 44 8.384 1.939 -11.164 1.00 0.00 H new ATOM 0 HG3 GLU A 44 9.944 1.880 -10.369 1.00 0.00 H new ATOM 486 N LEU A 45 7.339 2.185 -6.415 1.00 0.00 N ATOM 487 CA LEU A 45 6.648 1.991 -5.112 1.00 0.00 C ATOM 488 C LEU A 45 5.582 3.070 -4.958 1.00 0.00 C ATOM 489 O LEU A 45 4.470 2.803 -4.567 1.00 0.00 O ATOM 490 CB LEU A 45 7.739 2.156 -4.051 1.00 0.00 C ATOM 491 CG LEU A 45 7.106 2.491 -2.696 1.00 0.00 C ATOM 492 CD1 LEU A 45 6.274 1.305 -2.197 1.00 0.00 C ATOM 493 CD2 LEU A 45 8.213 2.785 -1.683 1.00 0.00 C ATOM 0 H LEU A 45 8.327 2.430 -6.348 1.00 0.00 H new ATOM 0 HA LEU A 45 6.158 1.021 -5.028 1.00 0.00 H new ATOM 0 HB2 LEU A 45 8.323 1.239 -3.972 1.00 0.00 H new ATOM 0 HB3 LEU A 45 8.428 2.948 -4.346 1.00 0.00 H new ATOM 0 HG LEU A 45 6.460 3.362 -2.809 1.00 0.00 H new ATOM 0 HD11 LEU A 45 5.828 1.553 -1.234 1.00 0.00 H new ATOM 0 HD12 LEU A 45 5.485 1.086 -2.916 1.00 0.00 H new ATOM 0 HD13 LEU A 45 6.916 0.431 -2.086 1.00 0.00 H new ATOM 0 HD21 LEU A 45 7.768 3.024 -0.717 1.00 0.00 H new ATOM 0 HD22 LEU A 45 8.854 1.910 -1.581 1.00 0.00 H new ATOM 0 HD23 LEU A 45 8.807 3.631 -2.028 1.00 0.00 H new ATOM 505 N HIS A 46 5.917 4.291 -5.270 1.00 0.00 N ATOM 506 CA HIS A 46 4.923 5.390 -5.147 1.00 0.00 C ATOM 507 C HIS A 46 3.740 5.117 -6.072 1.00 0.00 C ATOM 508 O HIS A 46 2.605 5.349 -5.721 1.00 0.00 O ATOM 509 CB HIS A 46 5.656 6.662 -5.571 1.00 0.00 C ATOM 510 CG HIS A 46 4.878 7.856 -5.087 1.00 0.00 C ATOM 511 ND1 HIS A 46 3.812 8.381 -5.801 1.00 0.00 N ATOM 512 CD2 HIS A 46 4.988 8.628 -3.957 1.00 0.00 C ATOM 513 CE1 HIS A 46 3.328 9.422 -5.100 1.00 0.00 C ATOM 514 NE2 HIS A 46 4.009 9.617 -3.968 1.00 0.00 N ATOM 0 H HIS A 46 6.838 4.574 -5.605 1.00 0.00 H new ATOM 0 HA HIS A 46 4.532 5.480 -4.134 1.00 0.00 H new ATOM 0 HB2 HIS A 46 6.663 6.674 -5.154 1.00 0.00 H new ATOM 0 HB3 HIS A 46 5.760 6.694 -6.656 1.00 0.00 H new ATOM 0 HD2 HIS A 46 5.723 8.489 -3.178 1.00 0.00 H new ATOM 0 HE1 HIS A 46 2.490 10.027 -5.415 1.00 0.00 H new ATOM 0 HE2 HIS A 46 3.847 10.336 -3.263 1.00 0.00 H new ATOM 522 N ALA A 47 3.995 4.614 -7.248 1.00 0.00 N ATOM 523 CA ALA A 47 2.870 4.316 -8.176 1.00 0.00 C ATOM 524 C ALA A 47 1.997 3.213 -7.575 1.00 0.00 C ATOM 525 O ALA A 47 0.781 3.260 -7.636 1.00 0.00 O ATOM 526 CB ALA A 47 3.535 3.837 -9.468 1.00 0.00 C ATOM 0 H ALA A 47 4.926 4.398 -7.604 1.00 0.00 H new ATOM 0 HA ALA A 47 2.229 5.179 -8.354 1.00 0.00 H new ATOM 0 HB1 ALA A 47 2.768 3.597 -10.205 1.00 0.00 H new ATOM 0 HB2 ALA A 47 4.180 4.624 -9.859 1.00 0.00 H new ATOM 0 HB3 ALA A 47 4.132 2.948 -9.262 1.00 0.00 H new ATOM 532 N ASP A 48 2.610 2.222 -6.983 1.00 0.00 N ATOM 533 CA ASP A 48 1.822 1.117 -6.369 1.00 0.00 C ATOM 534 C ASP A 48 1.067 1.629 -5.139 1.00 0.00 C ATOM 535 O ASP A 48 -0.006 1.157 -4.823 1.00 0.00 O ATOM 536 CB ASP A 48 2.851 0.063 -5.968 1.00 0.00 C ATOM 537 CG ASP A 48 3.060 -0.912 -7.128 1.00 0.00 C ATOM 538 OD1 ASP A 48 2.150 -1.055 -7.927 1.00 0.00 O ATOM 539 OD2 ASP A 48 4.126 -1.501 -7.195 1.00 0.00 O ATOM 0 H ASP A 48 3.622 2.131 -6.899 1.00 0.00 H new ATOM 0 HA ASP A 48 1.077 0.712 -7.055 1.00 0.00 H new ATOM 0 HB2 ASP A 48 3.795 0.542 -5.706 1.00 0.00 H new ATOM 0 HB3 ASP A 48 2.511 -0.475 -5.083 1.00 0.00 H new ATOM 544 N LEU A 49 1.606 2.602 -4.451 1.00 0.00 N ATOM 545 CA LEU A 49 0.900 3.147 -3.264 1.00 0.00 C ATOM 546 C LEU A 49 -0.256 4.006 -3.742 1.00 0.00 C ATOM 547 O LEU A 49 -1.295 4.067 -3.123 1.00 0.00 O ATOM 548 CB LEU A 49 1.927 4.011 -2.540 1.00 0.00 C ATOM 549 CG LEU A 49 3.046 3.132 -1.995 1.00 0.00 C ATOM 550 CD1 LEU A 49 4.123 4.021 -1.377 1.00 0.00 C ATOM 551 CD2 LEU A 49 2.485 2.190 -0.932 1.00 0.00 C ATOM 0 H LEU A 49 2.503 3.039 -4.663 1.00 0.00 H new ATOM 0 HA LEU A 49 0.506 2.367 -2.612 1.00 0.00 H new ATOM 0 HB2 LEU A 49 2.336 4.755 -3.223 1.00 0.00 H new ATOM 0 HB3 LEU A 49 1.449 4.555 -1.725 1.00 0.00 H new ATOM 0 HG LEU A 49 3.477 2.542 -2.804 1.00 0.00 H new ATOM 0 HD11 LEU A 49 4.927 3.399 -0.985 1.00 0.00 H new ATOM 0 HD12 LEU A 49 4.521 4.692 -2.138 1.00 0.00 H new ATOM 0 HD13 LEU A 49 3.690 4.607 -0.567 1.00 0.00 H new ATOM 0 HD21 LEU A 49 3.286 1.562 -0.543 1.00 0.00 H new ATOM 0 HD22 LEU A 49 2.055 2.774 -0.119 1.00 0.00 H new ATOM 0 HD23 LEU A 49 1.713 1.561 -1.375 1.00 0.00 H new ATOM 563 N LYS A 50 -0.081 4.658 -4.857 1.00 0.00 N ATOM 564 CA LYS A 50 -1.173 5.499 -5.396 1.00 0.00 C ATOM 565 C LYS A 50 -2.318 4.584 -5.805 1.00 0.00 C ATOM 566 O LYS A 50 -3.464 4.825 -5.495 1.00 0.00 O ATOM 567 CB LYS A 50 -0.579 6.213 -6.608 1.00 0.00 C ATOM 568 CG LYS A 50 0.349 7.336 -6.139 1.00 0.00 C ATOM 569 CD LYS A 50 -0.405 8.264 -5.181 1.00 0.00 C ATOM 570 CE LYS A 50 -1.764 8.629 -5.785 1.00 0.00 C ATOM 571 NZ LYS A 50 -1.970 10.061 -5.426 1.00 0.00 N ATOM 0 H LYS A 50 0.773 4.642 -5.415 1.00 0.00 H new ATOM 0 HA LYS A 50 -1.559 6.222 -4.677 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -0.026 5.505 -7.225 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -1.376 6.622 -7.229 1.00 0.00 H new ATOM 0 HG2 LYS A 50 1.222 6.915 -5.641 1.00 0.00 H new ATOM 0 HG3 LYS A 50 0.713 7.901 -6.997 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -0.544 7.774 -4.217 1.00 0.00 H new ATOM 0 HD3 LYS A 50 0.178 9.167 -4.999 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -1.767 8.488 -6.866 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -2.558 8.002 -5.380 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -2.882 10.386 -5.805 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -1.969 10.163 -4.391 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -1.203 10.634 -5.831 1.00 0.00 H new ATOM 585 N ILE A 51 -2.005 3.511 -6.480 1.00 0.00 N ATOM 586 CA ILE A 51 -3.068 2.555 -6.881 1.00 0.00 C ATOM 587 C ILE A 51 -3.721 1.985 -5.620 1.00 0.00 C ATOM 588 O ILE A 51 -4.929 1.869 -5.527 1.00 0.00 O ATOM 589 CB ILE A 51 -2.343 1.457 -7.656 1.00 0.00 C ATOM 590 CG1 ILE A 51 -1.782 2.038 -8.956 1.00 0.00 C ATOM 591 CG2 ILE A 51 -3.320 0.328 -7.984 1.00 0.00 C ATOM 592 CD1 ILE A 51 -2.860 2.872 -9.652 1.00 0.00 C ATOM 0 H ILE A 51 -1.060 3.258 -6.769 1.00 0.00 H new ATOM 0 HA ILE A 51 -3.852 3.014 -7.483 1.00 0.00 H new ATOM 0 HB ILE A 51 -1.528 1.064 -7.049 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -0.910 2.657 -8.743 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -1.450 1.234 -9.612 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -2.800 -0.454 -8.537 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -3.721 -0.087 -7.059 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -4.137 0.719 -8.590 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -2.459 3.285 -10.578 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -3.719 2.240 -9.879 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -3.171 3.685 -8.996 1.00 0.00 H new ATOM 604 N GLN A 52 -2.926 1.646 -4.639 1.00 0.00 N ATOM 605 CA GLN A 52 -3.493 1.101 -3.378 1.00 0.00 C ATOM 606 C GLN A 52 -4.213 2.215 -2.627 1.00 0.00 C ATOM 607 O GLN A 52 -5.060 1.968 -1.794 1.00 0.00 O ATOM 608 CB GLN A 52 -2.286 0.602 -2.579 1.00 0.00 C ATOM 609 CG GLN A 52 -2.766 -0.196 -1.368 1.00 0.00 C ATOM 610 CD GLN A 52 -3.767 -1.257 -1.821 1.00 0.00 C ATOM 611 OE1 GLN A 52 -4.682 -1.666 -0.989 1.00 0.00 O flip ATOM 612 NE2 GLN A 52 -3.718 -1.716 -2.946 1.00 0.00 N flip ATOM 0 H GLN A 52 -1.909 1.724 -4.660 1.00 0.00 H new ATOM 0 HA GLN A 52 -4.215 0.302 -3.550 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -1.652 -0.021 -3.210 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -1.679 1.447 -2.253 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -1.919 -0.669 -0.872 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -3.230 0.470 -0.641 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -3.001 -1.395 -3.597 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -4.394 -2.422 -3.239 1.00 0.00 H new ATOM 621 N GLU A 53 -3.897 3.443 -2.929 1.00 0.00 N ATOM 622 CA GLU A 53 -4.582 4.563 -2.242 1.00 0.00 C ATOM 623 C GLU A 53 -5.984 4.709 -2.823 1.00 0.00 C ATOM 624 O GLU A 53 -6.963 4.526 -2.139 1.00 0.00 O ATOM 625 CB GLU A 53 -3.732 5.800 -2.535 1.00 0.00 C ATOM 626 CG GLU A 53 -3.909 6.817 -1.406 1.00 0.00 C ATOM 627 CD GLU A 53 -4.358 8.157 -1.991 1.00 0.00 C ATOM 628 OE1 GLU A 53 -3.499 8.923 -2.391 1.00 0.00 O ATOM 629 OE2 GLU A 53 -5.554 8.393 -2.026 1.00 0.00 O ATOM 0 H GLU A 53 -3.197 3.715 -3.619 1.00 0.00 H new ATOM 0 HA GLU A 53 -4.684 4.409 -1.168 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -2.682 5.520 -2.626 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -4.028 6.241 -3.487 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -4.647 6.456 -0.689 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -2.972 6.941 -0.864 1.00 0.00 H new ATOM 636 N ARG A 54 -6.086 5.004 -4.088 1.00 0.00 N ATOM 637 CA ARG A 54 -7.430 5.131 -4.714 1.00 0.00 C ATOM 638 C ARG A 54 -8.237 3.861 -4.443 1.00 0.00 C ATOM 639 O ARG A 54 -9.428 3.903 -4.205 1.00 0.00 O ATOM 640 CB ARG A 54 -7.164 5.285 -6.212 1.00 0.00 C ATOM 641 CG ARG A 54 -8.478 5.604 -6.930 1.00 0.00 C ATOM 642 CD ARG A 54 -8.285 5.453 -8.441 1.00 0.00 C ATOM 643 NE ARG A 54 -8.163 3.987 -8.671 1.00 0.00 N ATOM 644 CZ ARG A 54 -7.879 3.535 -9.862 1.00 0.00 C ATOM 645 NH1 ARG A 54 -7.096 4.221 -10.651 1.00 0.00 N ATOM 646 NH2 ARG A 54 -8.379 2.400 -10.268 1.00 0.00 N ATOM 0 H ARG A 54 -5.297 5.163 -4.715 1.00 0.00 H new ATOM 0 HA ARG A 54 -7.998 5.974 -4.320 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -6.440 6.081 -6.384 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -6.731 4.368 -6.612 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -9.265 4.934 -6.585 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -8.797 6.619 -6.693 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -9.130 5.869 -8.990 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -7.393 5.981 -8.779 1.00 0.00 H new ATOM 0 HE ARG A 54 -8.301 3.336 -7.898 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -6.707 5.110 -10.336 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -6.874 3.868 -11.582 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -8.993 1.865 -9.654 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -8.156 2.048 -11.199 1.00 0.00 H new ATOM 660 N ASP A 55 -7.586 2.730 -4.474 1.00 0.00 N ATOM 661 CA ASP A 55 -8.296 1.447 -4.217 1.00 0.00 C ATOM 662 C ASP A 55 -8.681 1.338 -2.740 1.00 0.00 C ATOM 663 O ASP A 55 -9.691 0.757 -2.390 1.00 0.00 O ATOM 664 CB ASP A 55 -7.274 0.367 -4.578 1.00 0.00 C ATOM 665 CG ASP A 55 -6.980 0.425 -6.078 1.00 0.00 C ATOM 666 OD1 ASP A 55 -7.181 1.477 -6.661 1.00 0.00 O ATOM 667 OD2 ASP A 55 -6.557 -0.584 -6.618 1.00 0.00 O ATOM 0 H ASP A 55 -6.588 2.640 -4.667 1.00 0.00 H new ATOM 0 HA ASP A 55 -9.218 1.360 -4.792 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -6.355 0.516 -4.010 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -7.658 -0.617 -4.310 1.00 0.00 H new ATOM 672 N GLU A 56 -7.873 1.876 -1.869 1.00 0.00 N ATOM 673 CA GLU A 56 -8.180 1.782 -0.416 1.00 0.00 C ATOM 674 C GLU A 56 -9.269 2.773 -0.002 1.00 0.00 C ATOM 675 O GLU A 56 -10.035 2.499 0.891 1.00 0.00 O ATOM 676 CB GLU A 56 -6.863 2.091 0.293 1.00 0.00 C ATOM 677 CG GLU A 56 -6.080 0.791 0.492 1.00 0.00 C ATOM 678 CD GLU A 56 -4.973 1.009 1.525 1.00 0.00 C ATOM 679 OE1 GLU A 56 -4.567 2.145 1.700 1.00 0.00 O ATOM 680 OE2 GLU A 56 -4.552 0.033 2.123 1.00 0.00 O ATOM 0 H GLU A 56 -7.015 2.376 -2.101 1.00 0.00 H new ATOM 0 HA GLU A 56 -8.565 0.796 -0.155 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -6.276 2.796 -0.296 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -7.057 2.564 1.256 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -6.750 -0.001 0.825 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -5.648 0.466 -0.455 1.00 0.00 H new ATOM 687 N LEU A 57 -9.374 3.907 -0.637 1.00 0.00 N ATOM 688 CA LEU A 57 -10.454 4.856 -0.246 1.00 0.00 C ATOM 689 C LEU A 57 -11.732 4.412 -0.929 1.00 0.00 C ATOM 690 O LEU A 57 -12.783 4.327 -0.327 1.00 0.00 O ATOM 691 CB LEU A 57 -10.034 6.233 -0.757 1.00 0.00 C ATOM 692 CG LEU A 57 -8.558 6.478 -0.461 1.00 0.00 C ATOM 693 CD1 LEU A 57 -7.861 6.866 -1.760 1.00 0.00 C ATOM 694 CD2 LEU A 57 -8.421 7.616 0.551 1.00 0.00 C ATOM 0 H LEU A 57 -8.769 4.215 -1.398 1.00 0.00 H new ATOM 0 HA LEU A 57 -10.615 4.885 0.832 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -10.213 6.301 -1.830 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -10.640 7.005 -0.283 1.00 0.00 H new ATOM 0 HG LEU A 57 -8.105 5.577 -0.048 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -6.803 7.045 -1.566 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -7.965 6.058 -2.484 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -8.315 7.773 -2.160 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -7.366 7.790 0.762 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -8.864 8.523 0.140 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -8.936 7.347 1.473 1.00 0.00 H new ATOM 706 N ALA A 58 -11.638 4.102 -2.190 1.00 0.00 N ATOM 707 CA ALA A 58 -12.839 3.633 -2.920 1.00 0.00 C ATOM 708 C ALA A 58 -13.387 2.394 -2.215 1.00 0.00 C ATOM 709 O ALA A 58 -14.577 2.269 -1.968 1.00 0.00 O ATOM 710 CB ALA A 58 -12.349 3.291 -4.326 1.00 0.00 C ATOM 0 H ALA A 58 -10.783 4.154 -2.743 1.00 0.00 H new ATOM 0 HA ALA A 58 -13.637 4.375 -2.955 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -13.186 2.935 -4.927 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -11.922 4.181 -4.789 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -11.588 2.513 -4.267 1.00 0.00 H new ATOM 716 N TRP A 59 -12.527 1.481 -1.858 1.00 0.00 N ATOM 717 CA TRP A 59 -13.018 0.277 -1.151 1.00 0.00 C ATOM 718 C TRP A 59 -13.530 0.686 0.231 1.00 0.00 C ATOM 719 O TRP A 59 -14.601 0.302 0.638 1.00 0.00 O ATOM 720 CB TRP A 59 -11.824 -0.662 -1.024 1.00 0.00 C ATOM 721 CG TRP A 59 -12.191 -1.738 -0.062 1.00 0.00 C ATOM 722 CD1 TRP A 59 -12.924 -2.831 -0.365 1.00 0.00 C ATOM 723 CD2 TRP A 59 -11.884 -1.825 1.355 1.00 0.00 C ATOM 724 NE1 TRP A 59 -13.087 -3.591 0.777 1.00 0.00 N ATOM 725 CE2 TRP A 59 -12.456 -3.014 1.866 1.00 0.00 C ATOM 726 CE3 TRP A 59 -11.166 -0.995 2.238 1.00 0.00 C ATOM 727 CZ2 TRP A 59 -12.319 -3.367 3.209 1.00 0.00 C ATOM 728 CZ3 TRP A 59 -11.028 -1.347 3.585 1.00 0.00 C ATOM 729 CH2 TRP A 59 -11.602 -2.530 4.071 1.00 0.00 C ATOM 0 H TRP A 59 -11.521 1.519 -2.024 1.00 0.00 H new ATOM 0 HA TRP A 59 -13.835 -0.210 -1.684 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -11.568 -1.088 -1.994 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -10.947 -0.119 -0.673 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -13.319 -3.072 -1.341 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -13.607 -4.468 0.813 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -10.720 -0.082 1.873 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -12.763 -4.279 3.580 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -10.476 -0.704 4.254 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -11.491 -2.796 5.112 1.00 0.00 H new ATOM 740 N LYS A 60 -12.781 1.471 0.956 1.00 0.00 N ATOM 741 CA LYS A 60 -13.267 1.896 2.296 1.00 0.00 C ATOM 742 C LYS A 60 -14.713 2.356 2.152 1.00 0.00 C ATOM 743 O LYS A 60 -15.553 2.077 2.987 1.00 0.00 O ATOM 744 CB LYS A 60 -12.357 3.044 2.726 1.00 0.00 C ATOM 745 CG LYS A 60 -11.018 2.480 3.198 1.00 0.00 C ATOM 746 CD LYS A 60 -11.046 2.284 4.709 1.00 0.00 C ATOM 747 CE LYS A 60 -10.570 3.570 5.390 1.00 0.00 C ATOM 748 NZ LYS A 60 -10.418 3.221 6.833 1.00 0.00 N ATOM 0 H LYS A 60 -11.867 1.831 0.683 1.00 0.00 H new ATOM 0 HA LYS A 60 -13.240 1.098 3.038 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -12.202 3.731 1.894 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -12.827 3.615 3.527 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -10.818 1.530 2.702 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -10.210 3.159 2.925 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -12.055 2.036 5.037 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -10.405 1.449 4.992 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -9.626 3.912 4.967 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -11.291 4.376 5.255 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -10.094 4.057 7.360 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -11.334 2.906 7.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -9.720 2.456 6.934 1.00 0.00 H new ATOM 762 N LYS A 61 -15.026 3.015 1.066 1.00 0.00 N ATOM 763 CA LYS A 61 -16.432 3.432 0.851 1.00 0.00 C ATOM 764 C LYS A 61 -17.253 2.160 0.688 1.00 0.00 C ATOM 765 O LYS A 61 -18.299 1.997 1.282 1.00 0.00 O ATOM 766 CB LYS A 61 -16.428 4.253 -0.441 1.00 0.00 C ATOM 767 CG LYS A 61 -15.890 5.657 -0.154 1.00 0.00 C ATOM 768 CD LYS A 61 -16.892 6.699 -0.656 1.00 0.00 C ATOM 769 CE LYS A 61 -16.407 7.272 -1.988 1.00 0.00 C ATOM 770 NZ LYS A 61 -17.416 6.825 -2.988 1.00 0.00 N ATOM 0 H LYS A 61 -14.372 3.278 0.329 1.00 0.00 H new ATOM 0 HA LYS A 61 -16.850 4.020 1.668 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -15.811 3.763 -1.194 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -17.437 4.315 -0.848 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -15.723 5.783 0.916 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -14.927 5.797 -0.645 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -17.875 6.244 -0.780 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -17.001 7.498 0.078 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -16.343 8.359 -1.950 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -15.412 6.903 -2.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -17.152 7.179 -3.930 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -17.450 5.786 -3.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -18.351 7.197 -2.727 1.00 0.00 H new ATOM 784 N LEU A 62 -16.756 1.238 -0.095 1.00 0.00 N ATOM 785 CA LEU A 62 -17.480 -0.052 -0.273 1.00 0.00 C ATOM 786 C LEU A 62 -17.758 -0.674 1.102 1.00 0.00 C ATOM 787 O LEU A 62 -18.880 -0.721 1.558 1.00 0.00 O ATOM 788 CB LEU A 62 -16.521 -0.941 -1.068 1.00 0.00 C ATOM 789 CG LEU A 62 -16.963 -1.012 -2.525 1.00 0.00 C ATOM 790 CD1 LEU A 62 -16.067 -0.105 -3.370 1.00 0.00 C ATOM 791 CD2 LEU A 62 -16.840 -2.457 -3.015 1.00 0.00 C ATOM 0 H LEU A 62 -15.883 1.323 -0.616 1.00 0.00 H new ATOM 0 HA LEU A 62 -18.436 0.072 -0.782 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -15.508 -0.544 -1.006 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -16.498 -1.942 -0.637 1.00 0.00 H new ATOM 0 HG LEU A 62 -17.998 -0.682 -2.615 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -16.380 -0.153 -4.413 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -16.149 0.922 -3.014 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -15.032 -0.436 -3.286 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -17.155 -2.516 -4.057 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -15.803 -2.783 -2.930 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -17.474 -3.102 -2.407 1.00 0.00 H new ATOM 803 N LYS A 63 -16.733 -1.146 1.762 1.00 0.00 N ATOM 804 CA LYS A 63 -16.904 -1.760 3.111 1.00 0.00 C ATOM 805 C LYS A 63 -17.928 -0.978 3.938 1.00 0.00 C ATOM 806 O LYS A 63 -18.833 -1.541 4.519 1.00 0.00 O ATOM 807 CB LYS A 63 -15.520 -1.654 3.754 1.00 0.00 C ATOM 808 CG LYS A 63 -15.503 -2.422 5.076 1.00 0.00 C ATOM 809 CD LYS A 63 -15.540 -3.923 4.792 1.00 0.00 C ATOM 810 CE LYS A 63 -15.026 -4.689 6.013 1.00 0.00 C ATOM 811 NZ LYS A 63 -15.522 -6.081 5.827 1.00 0.00 N ATOM 0 H LYS A 63 -15.773 -1.132 1.419 1.00 0.00 H new ATOM 0 HA LYS A 63 -17.267 -2.786 3.053 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -14.764 -2.056 3.080 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -15.269 -0.608 3.927 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -14.607 -2.170 5.644 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -16.359 -2.135 5.687 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -16.558 -4.234 4.557 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -14.927 -4.154 3.921 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -13.938 -4.661 6.068 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -15.403 -4.255 6.939 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -15.210 -6.670 6.625 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -16.561 -6.077 5.785 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -15.141 -6.470 4.941 1.00 0.00 H new ATOM 825 N LEU A 64 -17.784 0.317 4.001 1.00 0.00 N ATOM 826 CA LEU A 64 -18.745 1.135 4.796 1.00 0.00 C ATOM 827 C LEU A 64 -20.181 0.862 4.333 1.00 0.00 C ATOM 828 O LEU A 64 -21.078 0.676 5.133 1.00 0.00 O ATOM 829 CB LEU A 64 -18.347 2.587 4.520 1.00 0.00 C ATOM 830 CG LEU A 64 -17.150 2.960 5.400 1.00 0.00 C ATOM 831 CD1 LEU A 64 -16.282 3.998 4.682 1.00 0.00 C ATOM 832 CD2 LEU A 64 -17.654 3.543 6.722 1.00 0.00 C ATOM 0 H LEU A 64 -17.044 0.844 3.537 1.00 0.00 H new ATOM 0 HA LEU A 64 -18.711 0.902 5.860 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -18.092 2.713 3.468 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -19.186 3.252 4.726 1.00 0.00 H new ATOM 0 HG LEU A 64 -16.555 2.068 5.596 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -15.432 4.260 5.312 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -15.922 3.583 3.741 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -16.874 4.891 4.481 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -16.804 3.809 7.350 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -18.251 4.433 6.523 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -18.267 2.803 7.236 1.00 0.00 H new ATOM 844 N ASP A 65 -20.404 0.835 3.049 1.00 0.00 N ATOM 845 CA ASP A 65 -21.778 0.572 2.527 1.00 0.00 C ATOM 846 C ASP A 65 -22.112 -0.922 2.628 1.00 0.00 C ATOM 847 O ASP A 65 -23.249 -1.325 2.479 1.00 0.00 O ATOM 848 CB ASP A 65 -21.728 1.009 1.063 1.00 0.00 C ATOM 849 CG ASP A 65 -22.513 2.309 0.887 1.00 0.00 C ATOM 850 OD1 ASP A 65 -22.219 3.256 1.598 1.00 0.00 O ATOM 851 OD2 ASP A 65 -23.394 2.338 0.044 1.00 0.00 O ATOM 0 H ASP A 65 -19.692 0.984 2.334 1.00 0.00 H new ATOM 0 HA ASP A 65 -22.543 1.105 3.091 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -20.693 1.152 0.751 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -22.148 0.230 0.426 1.00 0.00 H new ATOM 856 N GLY A 66 -21.129 -1.744 2.873 1.00 0.00 N ATOM 857 CA GLY A 66 -21.388 -3.210 2.976 1.00 0.00 C ATOM 858 C GLY A 66 -21.186 -3.857 1.605 1.00 0.00 C ATOM 859 O GLY A 66 -22.058 -4.530 1.092 1.00 0.00 O ATOM 0 H GLY A 66 -20.157 -1.465 3.007 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -20.714 -3.659 3.706 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -22.404 -3.387 3.328 1.00 0.00 H new ATOM 863 N LEU A 67 -20.046 -3.650 1.002 1.00 0.00 N ATOM 864 CA LEU A 67 -19.795 -4.244 -0.342 1.00 0.00 C ATOM 865 C LEU A 67 -18.914 -5.486 -0.222 1.00 0.00 C ATOM 866 O LEU A 67 -19.236 -6.542 -0.729 1.00 0.00 O ATOM 867 CB LEU A 67 -19.057 -3.154 -1.123 1.00 0.00 C ATOM 868 CG LEU A 67 -20.029 -2.043 -1.571 1.00 0.00 C ATOM 869 CD1 LEU A 67 -20.557 -2.365 -2.970 1.00 0.00 C ATOM 870 CD2 LEU A 67 -21.215 -1.924 -0.604 1.00 0.00 C ATOM 0 H LEU A 67 -19.279 -3.096 1.382 1.00 0.00 H new ATOM 0 HA LEU A 67 -20.720 -4.553 -0.830 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -18.270 -2.726 -0.502 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -18.572 -3.592 -1.995 1.00 0.00 H new ATOM 0 HG LEU A 67 -19.488 -1.097 -1.577 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -21.244 -1.581 -3.289 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -19.723 -2.423 -3.669 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -21.081 -3.321 -2.950 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -21.884 -1.133 -0.944 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -21.756 -2.870 -0.574 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -20.848 -1.684 0.394 1.00 0.00 H new ATOM 882 N ASP A 68 -17.797 -5.363 0.438 1.00 0.00 N ATOM 883 CA ASP A 68 -16.887 -6.530 0.584 1.00 0.00 C ATOM 884 C ASP A 68 -17.308 -7.385 1.782 1.00 0.00 C ATOM 885 O ASP A 68 -16.515 -7.687 2.651 1.00 0.00 O ATOM 886 CB ASP A 68 -15.506 -5.924 0.814 1.00 0.00 C ATOM 887 CG ASP A 68 -14.484 -7.043 1.023 1.00 0.00 C ATOM 888 OD1 ASP A 68 -14.389 -7.900 0.159 1.00 0.00 O ATOM 889 OD2 ASP A 68 -13.816 -7.026 2.043 1.00 0.00 O ATOM 0 H ASP A 68 -17.475 -4.503 0.883 1.00 0.00 H new ATOM 0 HA ASP A 68 -16.906 -7.182 -0.289 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -15.220 -5.311 -0.041 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -15.526 -5.268 1.684 1.00 0.00 H new ATOM 894 N GLU A 69 -18.550 -7.778 1.833 1.00 0.00 N ATOM 895 CA GLU A 69 -19.022 -8.614 2.972 1.00 0.00 C ATOM 896 C GLU A 69 -18.399 -10.010 2.893 1.00 0.00 C ATOM 897 O GLU A 69 -18.569 -10.826 3.777 1.00 0.00 O ATOM 898 CB GLU A 69 -20.539 -8.693 2.801 1.00 0.00 C ATOM 899 CG GLU A 69 -21.123 -7.279 2.757 1.00 0.00 C ATOM 900 CD GLU A 69 -20.960 -6.615 4.125 1.00 0.00 C ATOM 901 OE1 GLU A 69 -19.838 -6.287 4.473 1.00 0.00 O ATOM 902 OE2 GLU A 69 -21.961 -6.441 4.800 1.00 0.00 O ATOM 0 H GLU A 69 -19.259 -7.556 1.134 1.00 0.00 H new ATOM 0 HA GLU A 69 -18.742 -8.195 3.939 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -20.785 -9.228 1.884 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -20.980 -9.254 3.625 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -20.617 -6.689 1.992 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -22.177 -7.318 2.484 1.00 0.00 H new ATOM 909 N ASP A 70 -17.679 -10.289 1.841 1.00 0.00 N ATOM 910 CA ASP A 70 -17.047 -11.631 1.708 1.00 0.00 C ATOM 911 C ASP A 70 -15.529 -11.518 1.870 1.00 0.00 C ATOM 912 O ASP A 70 -14.877 -12.424 2.352 1.00 0.00 O ATOM 913 CB ASP A 70 -17.405 -12.100 0.298 1.00 0.00 C ATOM 914 CG ASP A 70 -17.859 -13.560 0.344 1.00 0.00 C ATOM 915 OD1 ASP A 70 -18.053 -14.065 1.438 1.00 0.00 O ATOM 916 OD2 ASP A 70 -18.003 -14.148 -0.715 1.00 0.00 O ATOM 0 H ASP A 70 -17.502 -9.646 1.069 1.00 0.00 H new ATOM 0 HA ASP A 70 -17.395 -12.330 2.469 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -18.197 -11.475 -0.114 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -16.543 -11.997 -0.361 1.00 0.00 H new ATOM 921 N GLY A 71 -14.962 -10.414 1.471 1.00 0.00 N ATOM 922 CA GLY A 71 -13.488 -10.245 1.604 1.00 0.00 C ATOM 923 C GLY A 71 -12.837 -10.325 0.223 1.00 0.00 C ATOM 924 O GLY A 71 -11.633 -10.418 0.100 1.00 0.00 O ATOM 0 H GLY A 71 -15.455 -9.622 1.059 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -13.262 -9.285 2.069 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -13.080 -11.018 2.255 1.00 0.00 H new ATOM 928 N GLU A 72 -13.624 -10.286 -0.817 1.00 0.00 N ATOM 929 CA GLU A 72 -13.043 -10.357 -2.188 1.00 0.00 C ATOM 930 C GLU A 72 -12.453 -9.000 -2.573 1.00 0.00 C ATOM 931 O GLU A 72 -11.344 -8.912 -3.063 1.00 0.00 O ATOM 932 CB GLU A 72 -14.214 -10.716 -3.102 1.00 0.00 C ATOM 933 CG GLU A 72 -13.781 -11.803 -4.090 1.00 0.00 C ATOM 934 CD GLU A 72 -14.701 -11.779 -5.312 1.00 0.00 C ATOM 935 OE1 GLU A 72 -15.764 -11.190 -5.217 1.00 0.00 O ATOM 936 OE2 GLU A 72 -14.326 -12.352 -6.323 1.00 0.00 O ATOM 0 H GLU A 72 -14.640 -10.208 -0.778 1.00 0.00 H new ATOM 0 HA GLU A 72 -12.238 -11.089 -2.261 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -15.058 -11.066 -2.508 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -14.550 -9.832 -3.643 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -12.748 -11.640 -4.396 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -13.821 -12.781 -3.611 1.00 0.00 H new ATOM 943 N LYS A 73 -13.177 -7.941 -2.343 1.00 0.00 N ATOM 944 CA LYS A 73 -12.644 -6.595 -2.682 1.00 0.00 C ATOM 945 C LYS A 73 -11.446 -6.290 -1.783 1.00 0.00 C ATOM 946 O LYS A 73 -10.335 -6.114 -2.242 1.00 0.00 O ATOM 947 CB LYS A 73 -13.789 -5.629 -2.383 1.00 0.00 C ATOM 948 CG LYS A 73 -14.764 -5.582 -3.560 1.00 0.00 C ATOM 949 CD LYS A 73 -15.408 -6.955 -3.757 1.00 0.00 C ATOM 950 CE LYS A 73 -16.747 -6.791 -4.481 1.00 0.00 C ATOM 951 NZ LYS A 73 -16.390 -6.609 -5.916 1.00 0.00 N ATOM 0 H LYS A 73 -14.112 -7.950 -1.936 1.00 0.00 H new ATOM 0 HA LYS A 73 -12.312 -6.520 -3.718 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -14.313 -5.943 -1.480 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -13.392 -4.632 -2.191 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -15.534 -4.833 -3.376 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -14.239 -5.283 -4.467 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -14.746 -7.599 -4.335 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -15.561 -7.439 -2.792 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -17.382 -7.666 -4.340 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -17.299 -5.932 -4.100 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -16.959 -5.838 -6.320 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -15.380 -6.373 -5.995 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -16.582 -7.489 -6.436 1.00 0.00 H new ATOM 965 N GLU A 74 -11.669 -6.240 -0.498 1.00 0.00 N ATOM 966 CA GLU A 74 -10.554 -5.961 0.448 1.00 0.00 C ATOM 967 C GLU A 74 -9.405 -6.940 0.204 1.00 0.00 C ATOM 968 O GLU A 74 -8.256 -6.640 0.461 1.00 0.00 O ATOM 969 CB GLU A 74 -11.154 -6.173 1.838 1.00 0.00 C ATOM 970 CG GLU A 74 -10.030 -6.260 2.873 1.00 0.00 C ATOM 971 CD GLU A 74 -9.261 -4.937 2.905 1.00 0.00 C ATOM 972 OE1 GLU A 74 -9.789 -3.954 2.412 1.00 0.00 O ATOM 973 OE2 GLU A 74 -8.156 -4.930 3.421 1.00 0.00 O ATOM 0 H GLU A 74 -12.580 -6.381 -0.062 1.00 0.00 H new ATOM 0 HA GLU A 74 -10.148 -4.956 0.329 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -11.826 -5.351 2.084 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -11.748 -7.087 1.853 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -10.444 -6.476 3.858 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -9.355 -7.079 2.624 1.00 0.00 H new ATOM 980 N ALA A 75 -9.705 -8.108 -0.294 1.00 0.00 N ATOM 981 CA ALA A 75 -8.621 -9.098 -0.559 1.00 0.00 C ATOM 982 C ALA A 75 -7.656 -8.531 -1.601 1.00 0.00 C ATOM 983 O ALA A 75 -6.448 -8.616 -1.463 1.00 0.00 O ATOM 984 CB ALA A 75 -9.336 -10.337 -1.101 1.00 0.00 C ATOM 0 H ALA A 75 -10.648 -8.419 -0.528 1.00 0.00 H new ATOM 0 HA ALA A 75 -8.037 -9.331 0.331 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -8.603 -11.113 -1.321 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -10.042 -10.705 -0.356 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -9.874 -10.077 -2.013 1.00 0.00 H new ATOM 990 N ARG A 76 -8.182 -7.939 -2.637 1.00 0.00 N ATOM 991 CA ARG A 76 -7.303 -7.352 -3.683 1.00 0.00 C ATOM 992 C ARG A 76 -6.374 -6.321 -3.044 1.00 0.00 C ATOM 993 O ARG A 76 -5.209 -6.227 -3.377 1.00 0.00 O ATOM 994 CB ARG A 76 -8.257 -6.680 -4.669 1.00 0.00 C ATOM 995 CG ARG A 76 -7.479 -6.232 -5.907 1.00 0.00 C ATOM 996 CD ARG A 76 -8.256 -5.125 -6.621 1.00 0.00 C ATOM 997 NE ARG A 76 -9.426 -5.812 -7.236 1.00 0.00 N ATOM 998 CZ ARG A 76 -9.431 -6.071 -8.515 1.00 0.00 C ATOM 999 NH1 ARG A 76 -8.304 -6.155 -9.166 1.00 0.00 N ATOM 1000 NH2 ARG A 76 -10.562 -6.245 -9.141 1.00 0.00 N ATOM 0 H ARG A 76 -9.183 -7.837 -2.803 1.00 0.00 H new ATOM 0 HA ARG A 76 -6.676 -8.095 -4.175 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -9.049 -7.373 -4.955 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -8.738 -5.822 -4.199 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -6.492 -5.871 -5.619 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -7.326 -7.076 -6.579 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -8.575 -4.352 -5.922 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -7.642 -4.637 -7.378 1.00 0.00 H new ATOM 0 HE ARG A 76 -10.223 -6.080 -6.658 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -7.420 -6.018 -8.675 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -8.306 -6.357 -10.166 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -11.443 -6.179 -8.631 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -10.566 -6.447 -10.141 1.00 0.00 H new ATOM 1014 N LEU A 77 -6.882 -5.554 -2.118 1.00 0.00 N ATOM 1015 CA LEU A 77 -6.021 -4.538 -1.451 1.00 0.00 C ATOM 1016 C LEU A 77 -4.911 -5.246 -0.681 1.00 0.00 C ATOM 1017 O LEU A 77 -3.770 -4.829 -0.683 1.00 0.00 O ATOM 1018 CB LEU A 77 -6.941 -3.784 -0.484 1.00 0.00 C ATOM 1019 CG LEU A 77 -8.009 -3.026 -1.270 1.00 0.00 C ATOM 1020 CD1 LEU A 77 -9.081 -2.501 -0.312 1.00 0.00 C ATOM 1021 CD2 LEU A 77 -7.378 -1.848 -2.012 1.00 0.00 C ATOM 0 H LEU A 77 -7.849 -5.587 -1.797 1.00 0.00 H new ATOM 0 HA LEU A 77 -5.554 -3.859 -2.164 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -7.412 -4.485 0.205 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -6.358 -3.088 0.119 1.00 0.00 H new ATOM 0 HG LEU A 77 -8.462 -3.706 -1.991 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -9.841 -1.961 -0.877 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -9.544 -3.338 0.210 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -8.623 -1.829 0.414 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -8.148 -1.314 -2.569 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -6.915 -1.171 -1.294 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -6.620 -2.217 -2.703 1.00 0.00 H new ATOM 1033 N ILE A 78 -5.243 -6.320 -0.024 1.00 0.00 N ATOM 1034 CA ILE A 78 -4.219 -7.075 0.750 1.00 0.00 C ATOM 1035 C ILE A 78 -3.109 -7.563 -0.183 1.00 0.00 C ATOM 1036 O ILE A 78 -1.937 -7.464 0.125 1.00 0.00 O ATOM 1037 CB ILE A 78 -4.976 -8.259 1.351 1.00 0.00 C ATOM 1038 CG1 ILE A 78 -5.963 -7.748 2.404 1.00 0.00 C ATOM 1039 CG2 ILE A 78 -3.984 -9.224 2.003 1.00 0.00 C ATOM 1040 CD1 ILE A 78 -6.912 -8.878 2.808 1.00 0.00 C ATOM 0 H ILE A 78 -6.185 -6.710 0.011 1.00 0.00 H new ATOM 0 HA ILE A 78 -3.743 -6.464 1.517 1.00 0.00 H new ATOM 0 HB ILE A 78 -5.521 -8.780 0.564 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -5.422 -7.384 3.278 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -6.531 -6.907 2.007 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -4.525 -10.068 2.431 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -3.282 -9.586 1.252 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -3.437 -8.706 2.791 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -7.614 -8.513 3.558 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -7.462 -9.222 1.932 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -6.337 -9.706 3.222 1.00 0.00 H new ATOM 1052 N ARG A 79 -3.466 -8.091 -1.323 1.00 0.00 N ATOM 1053 CA ARG A 79 -2.423 -8.585 -2.267 1.00 0.00 C ATOM 1054 C ARG A 79 -1.596 -7.416 -2.807 1.00 0.00 C ATOM 1055 O ARG A 79 -0.397 -7.514 -2.939 1.00 0.00 O ATOM 1056 CB ARG A 79 -3.192 -9.274 -3.395 1.00 0.00 C ATOM 1057 CG ARG A 79 -2.362 -10.435 -3.947 1.00 0.00 C ATOM 1058 CD ARG A 79 -3.124 -11.748 -3.753 1.00 0.00 C ATOM 1059 NE ARG A 79 -2.421 -12.440 -2.638 1.00 0.00 N ATOM 1060 CZ ARG A 79 -1.424 -13.244 -2.893 1.00 0.00 C ATOM 1061 NH1 ARG A 79 -1.577 -14.222 -3.744 1.00 0.00 N ATOM 1062 NH2 ARG A 79 -0.276 -13.070 -2.297 1.00 0.00 N ATOM 0 H ARG A 79 -4.429 -8.201 -1.640 1.00 0.00 H new ATOM 0 HA ARG A 79 -1.723 -9.267 -1.783 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -4.149 -9.642 -3.025 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -3.410 -8.560 -4.189 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -2.154 -10.276 -5.005 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -1.400 -10.482 -3.437 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -4.170 -11.565 -3.507 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -3.111 -12.350 -4.662 1.00 0.00 H new ATOM 0 HE ARG A 79 -2.718 -12.286 -1.674 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -2.475 -14.358 -4.209 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -0.799 -14.851 -3.944 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -0.157 -12.306 -1.632 1.00 0.00 H new ATOM 0 HH22 ARG A 79 0.503 -13.698 -2.496 1.00 0.00 H new ATOM 1076 N ASN A 80 -2.214 -6.305 -3.110 1.00 0.00 N ATOM 1077 CA ASN A 80 -1.424 -5.146 -3.620 1.00 0.00 C ATOM 1078 C ASN A 80 -0.403 -4.740 -2.561 1.00 0.00 C ATOM 1079 O ASN A 80 0.764 -4.545 -2.841 1.00 0.00 O ATOM 1080 CB ASN A 80 -2.438 -4.025 -3.840 1.00 0.00 C ATOM 1081 CG ASN A 80 -3.051 -4.154 -5.234 1.00 0.00 C ATOM 1082 OD1 ASN A 80 -3.361 -5.243 -5.676 1.00 0.00 O ATOM 1083 ND2 ASN A 80 -3.238 -3.083 -5.954 1.00 0.00 N ATOM 0 H ASN A 80 -3.219 -6.150 -3.028 1.00 0.00 H new ATOM 0 HA ASN A 80 -0.884 -5.376 -4.539 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -3.220 -4.074 -3.082 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -1.952 -3.055 -3.734 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -3.644 -3.160 -6.887 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -2.978 -2.168 -5.585 1.00 0.00 H new ATOM 1090 N LEU A 81 -0.830 -4.631 -1.335 1.00 0.00 N ATOM 1091 CA LEU A 81 0.124 -4.265 -0.260 1.00 0.00 C ATOM 1092 C LEU A 81 1.248 -5.298 -0.232 1.00 0.00 C ATOM 1093 O LEU A 81 2.384 -4.988 -0.482 1.00 0.00 O ATOM 1094 CB LEU A 81 -0.684 -4.303 1.038 1.00 0.00 C ATOM 1095 CG LEU A 81 -0.456 -3.006 1.818 1.00 0.00 C ATOM 1096 CD1 LEU A 81 1.046 -2.741 1.947 1.00 0.00 C ATOM 1097 CD2 LEU A 81 -1.116 -1.843 1.076 1.00 0.00 C ATOM 0 H LEU A 81 -1.793 -4.779 -1.034 1.00 0.00 H new ATOM 0 HA LEU A 81 0.575 -3.284 -0.407 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -1.744 -4.425 0.816 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -0.384 -5.160 1.641 1.00 0.00 H new ATOM 0 HG LEU A 81 -0.893 -3.100 2.812 1.00 0.00 H new ATOM 0 HD11 LEU A 81 1.206 -1.817 2.503 1.00 0.00 H new ATOM 0 HD12 LEU A 81 1.517 -3.569 2.476 1.00 0.00 H new ATOM 0 HD13 LEU A 81 1.486 -2.648 0.954 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -0.954 -0.919 1.631 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -0.679 -1.751 0.082 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -2.186 -2.029 0.986 1.00 0.00 H new ATOM 1109 N ASN A 82 0.932 -6.531 0.047 1.00 0.00 N ATOM 1110 CA ASN A 82 1.984 -7.585 0.075 1.00 0.00 C ATOM 1111 C ASN A 82 2.903 -7.457 -1.145 1.00 0.00 C ATOM 1112 O ASN A 82 4.092 -7.700 -1.066 1.00 0.00 O ATOM 1113 CB ASN A 82 1.204 -8.899 0.028 1.00 0.00 C ATOM 1114 CG ASN A 82 1.132 -9.508 1.430 1.00 0.00 C ATOM 1115 OD1 ASN A 82 2.094 -9.477 2.170 1.00 0.00 O ATOM 1116 ND2 ASN A 82 0.019 -10.065 1.826 1.00 0.00 N ATOM 0 H ASN A 82 -0.012 -6.855 0.257 1.00 0.00 H new ATOM 0 HA ASN A 82 2.625 -7.514 0.954 1.00 0.00 H new ATOM 0 HB2 ASN A 82 0.199 -8.722 -0.354 1.00 0.00 H new ATOM 0 HB3 ASN A 82 1.688 -9.596 -0.657 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -0.043 -10.475 2.758 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -0.788 -10.090 1.203 1.00 0.00 H new ATOM 1123 N VAL A 83 2.367 -7.071 -2.266 1.00 0.00 N ATOM 1124 CA VAL A 83 3.209 -6.921 -3.486 1.00 0.00 C ATOM 1125 C VAL A 83 4.222 -5.795 -3.270 1.00 0.00 C ATOM 1126 O VAL A 83 5.400 -5.942 -3.535 1.00 0.00 O ATOM 1127 CB VAL A 83 2.217 -6.578 -4.600 1.00 0.00 C ATOM 1128 CG1 VAL A 83 2.942 -5.899 -5.761 1.00 0.00 C ATOM 1129 CG2 VAL A 83 1.555 -7.865 -5.097 1.00 0.00 C ATOM 0 H VAL A 83 1.379 -6.852 -2.392 1.00 0.00 H new ATOM 0 HA VAL A 83 3.783 -7.816 -3.728 1.00 0.00 H new ATOM 0 HB VAL A 83 1.461 -5.898 -4.209 1.00 0.00 H new ATOM 0 HG11 VAL A 83 2.226 -5.660 -6.547 1.00 0.00 H new ATOM 0 HG12 VAL A 83 3.414 -4.982 -5.409 1.00 0.00 H new ATOM 0 HG13 VAL A 83 3.704 -6.570 -6.156 1.00 0.00 H new ATOM 0 HG21 VAL A 83 0.847 -7.627 -5.891 1.00 0.00 H new ATOM 0 HG22 VAL A 83 2.318 -8.541 -5.482 1.00 0.00 H new ATOM 0 HG23 VAL A 83 1.028 -8.345 -4.272 1.00 0.00 H new ATOM 1139 N ILE A 84 3.775 -4.680 -2.766 1.00 0.00 N ATOM 1140 CA ILE A 84 4.715 -3.555 -2.506 1.00 0.00 C ATOM 1141 C ILE A 84 5.666 -3.955 -1.375 1.00 0.00 C ATOM 1142 O ILE A 84 6.865 -3.920 -1.523 1.00 0.00 O ATOM 1143 CB ILE A 84 3.822 -2.383 -2.098 1.00 0.00 C ATOM 1144 CG1 ILE A 84 3.084 -1.865 -3.333 1.00 0.00 C ATOM 1145 CG2 ILE A 84 4.672 -1.258 -1.505 1.00 0.00 C ATOM 1146 CD1 ILE A 84 1.688 -1.385 -2.935 1.00 0.00 C ATOM 0 H ILE A 84 2.801 -4.499 -2.523 1.00 0.00 H new ATOM 0 HA ILE A 84 5.331 -3.296 -3.367 1.00 0.00 H new ATOM 0 HB ILE A 84 3.105 -2.719 -1.349 1.00 0.00 H new ATOM 0 HG12 ILE A 84 3.644 -1.048 -3.787 1.00 0.00 H new ATOM 0 HG13 ILE A 84 3.008 -2.654 -4.081 1.00 0.00 H new ATOM 0 HG21 ILE A 84 4.027 -0.428 -1.217 1.00 0.00 H new ATOM 0 HG22 ILE A 84 5.202 -1.627 -0.627 1.00 0.00 H new ATOM 0 HG23 ILE A 84 5.393 -0.917 -2.248 1.00 0.00 H new ATOM 0 HD11 ILE A 84 1.165 -1.016 -3.817 1.00 0.00 H new ATOM 0 HD12 ILE A 84 1.128 -2.214 -2.501 1.00 0.00 H new ATOM 0 HD13 ILE A 84 1.774 -0.582 -2.203 1.00 0.00 H new ATOM 1158 N LEU A 85 5.132 -4.361 -0.257 1.00 0.00 N ATOM 1159 CA LEU A 85 5.994 -4.793 0.873 1.00 0.00 C ATOM 1160 C LEU A 85 6.895 -5.935 0.407 1.00 0.00 C ATOM 1161 O LEU A 85 7.927 -6.204 0.986 1.00 0.00 O ATOM 1162 CB LEU A 85 5.014 -5.273 1.942 1.00 0.00 C ATOM 1163 CG LEU A 85 4.089 -4.122 2.320 1.00 0.00 C ATOM 1164 CD1 LEU A 85 3.217 -4.528 3.507 1.00 0.00 C ATOM 1165 CD2 LEU A 85 4.925 -2.900 2.694 1.00 0.00 C ATOM 0 H LEU A 85 4.129 -4.412 -0.079 1.00 0.00 H new ATOM 0 HA LEU A 85 6.643 -4.002 1.249 1.00 0.00 H new ATOM 0 HB2 LEU A 85 4.433 -6.116 1.569 1.00 0.00 H new ATOM 0 HB3 LEU A 85 5.557 -5.624 2.820 1.00 0.00 H new ATOM 0 HG LEU A 85 3.449 -3.880 1.471 1.00 0.00 H new ATOM 0 HD11 LEU A 85 2.558 -3.702 3.773 1.00 0.00 H new ATOM 0 HD12 LEU A 85 2.618 -5.398 3.238 1.00 0.00 H new ATOM 0 HD13 LEU A 85 3.852 -4.774 4.358 1.00 0.00 H new ATOM 0 HD21 LEU A 85 4.264 -2.076 2.964 1.00 0.00 H new ATOM 0 HD22 LEU A 85 5.567 -3.144 3.541 1.00 0.00 H new ATOM 0 HD23 LEU A 85 5.541 -2.607 1.844 1.00 0.00 H new ATOM 1177 N ALA A 86 6.511 -6.601 -0.648 1.00 0.00 N ATOM 1178 CA ALA A 86 7.351 -7.718 -1.170 1.00 0.00 C ATOM 1179 C ALA A 86 8.422 -7.150 -2.103 1.00 0.00 C ATOM 1180 O ALA A 86 9.504 -7.688 -2.232 1.00 0.00 O ATOM 1181 CB ALA A 86 6.384 -8.619 -1.940 1.00 0.00 C ATOM 0 H ALA A 86 5.654 -6.421 -1.171 1.00 0.00 H new ATOM 0 HA ALA A 86 7.863 -8.267 -0.380 1.00 0.00 H new ATOM 0 HB1 ALA A 86 6.929 -9.466 -2.356 1.00 0.00 H new ATOM 0 HB2 ALA A 86 5.609 -8.982 -1.265 1.00 0.00 H new ATOM 0 HB3 ALA A 86 5.924 -8.052 -2.749 1.00 0.00 H new ATOM 1187 N LYS A 87 8.121 -6.055 -2.749 1.00 0.00 N ATOM 1188 CA LYS A 87 9.106 -5.423 -3.674 1.00 0.00 C ATOM 1189 C LYS A 87 10.039 -4.497 -2.895 1.00 0.00 C ATOM 1190 O LYS A 87 11.073 -4.083 -3.380 1.00 0.00 O ATOM 1191 CB LYS A 87 8.254 -4.593 -4.629 1.00 0.00 C ATOM 1192 CG LYS A 87 9.126 -4.074 -5.771 1.00 0.00 C ATOM 1193 CD LYS A 87 8.263 -3.287 -6.756 1.00 0.00 C ATOM 1194 CE LYS A 87 8.331 -3.945 -8.135 1.00 0.00 C ATOM 1195 NZ LYS A 87 6.911 -4.181 -8.521 1.00 0.00 N ATOM 0 H LYS A 87 7.228 -5.568 -2.675 1.00 0.00 H new ATOM 0 HA LYS A 87 9.724 -6.161 -4.186 1.00 0.00 H new ATOM 0 HB2 LYS A 87 7.439 -5.199 -5.026 1.00 0.00 H new ATOM 0 HB3 LYS A 87 7.800 -3.758 -4.096 1.00 0.00 H new ATOM 0 HG2 LYS A 87 9.919 -3.438 -5.377 1.00 0.00 H new ATOM 0 HG3 LYS A 87 9.610 -4.907 -6.281 1.00 0.00 H new ATOM 0 HD2 LYS A 87 7.231 -3.256 -6.407 1.00 0.00 H new ATOM 0 HD3 LYS A 87 8.610 -2.256 -6.816 1.00 0.00 H new ATOM 0 HE2 LYS A 87 8.834 -3.300 -8.856 1.00 0.00 H new ATOM 0 HE3 LYS A 87 8.891 -4.880 -8.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 6.876 -4.631 -9.458 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 6.460 -4.804 -7.821 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 6.405 -3.273 -8.554 1.00 0.00 H new ATOM 1209 N TYR A 88 9.665 -4.154 -1.698 1.00 0.00 N ATOM 1210 CA TYR A 88 10.503 -3.236 -0.882 1.00 0.00 C ATOM 1211 C TYR A 88 10.690 -3.801 0.521 1.00 0.00 C ATOM 1212 O TYR A 88 11.313 -3.189 1.366 1.00 0.00 O ATOM 1213 CB TYR A 88 9.700 -1.933 -0.811 1.00 0.00 C ATOM 1214 CG TYR A 88 9.138 -1.600 -2.169 1.00 0.00 C ATOM 1215 CD1 TYR A 88 10.007 -1.264 -3.204 1.00 0.00 C ATOM 1216 CD2 TYR A 88 7.754 -1.626 -2.392 1.00 0.00 C ATOM 1217 CE1 TYR A 88 9.508 -0.952 -4.467 1.00 0.00 C ATOM 1218 CE2 TYR A 88 7.247 -1.315 -3.660 1.00 0.00 C ATOM 1219 CZ TYR A 88 8.125 -0.978 -4.701 1.00 0.00 C ATOM 1220 OH TYR A 88 7.628 -0.665 -5.949 1.00 0.00 O ATOM 0 H TYR A 88 8.808 -4.472 -1.246 1.00 0.00 H new ATOM 0 HA TYR A 88 11.495 -3.094 -1.312 1.00 0.00 H new ATOM 0 HB2 TYR A 88 8.891 -2.034 -0.088 1.00 0.00 H new ATOM 0 HB3 TYR A 88 10.339 -1.121 -0.463 1.00 0.00 H new ATOM 0 HD1 TYR A 88 11.072 -1.245 -3.027 1.00 0.00 H new ATOM 0 HD2 TYR A 88 7.081 -1.885 -1.588 1.00 0.00 H new ATOM 0 HE1 TYR A 88 10.186 -0.690 -5.266 1.00 0.00 H new ATOM 0 HE2 TYR A 88 6.182 -1.335 -3.836 1.00 0.00 H new ATOM 0 HH TYR A 88 6.693 -0.952 -6.010 1.00 0.00 H new ATOM 1230 N GLY A 89 10.140 -4.952 0.787 1.00 0.00 N ATOM 1231 CA GLY A 89 10.275 -5.531 2.150 1.00 0.00 C ATOM 1232 C GLY A 89 9.989 -4.428 3.166 1.00 0.00 C ATOM 1233 O GLY A 89 10.605 -4.351 4.210 1.00 0.00 O ATOM 0 H GLY A 89 9.606 -5.513 0.124 1.00 0.00 H new ATOM 0 HA2 GLY A 89 9.579 -6.359 2.282 1.00 0.00 H new ATOM 0 HA3 GLY A 89 11.278 -5.931 2.296 1.00 0.00 H new ATOM 1237 N LEU A 90 9.056 -3.564 2.859 1.00 0.00 N ATOM 1238 CA LEU A 90 8.731 -2.460 3.800 1.00 0.00 C ATOM 1239 C LEU A 90 8.121 -3.043 5.073 1.00 0.00 C ATOM 1240 O LEU A 90 8.432 -2.629 6.170 1.00 0.00 O ATOM 1241 CB LEU A 90 7.723 -1.590 3.044 1.00 0.00 C ATOM 1242 CG LEU A 90 8.470 -0.596 2.149 1.00 0.00 C ATOM 1243 CD1 LEU A 90 7.570 -0.182 0.980 1.00 0.00 C ATOM 1244 CD2 LEU A 90 8.846 0.643 2.965 1.00 0.00 C ATOM 0 H LEU A 90 8.508 -3.578 1.999 1.00 0.00 H new ATOM 0 HA LEU A 90 9.603 -1.882 4.105 1.00 0.00 H new ATOM 0 HB2 LEU A 90 7.068 -2.217 2.440 1.00 0.00 H new ATOM 0 HB3 LEU A 90 7.089 -1.054 3.750 1.00 0.00 H new ATOM 0 HG LEU A 90 9.374 -1.066 1.762 1.00 0.00 H new ATOM 0 HD11 LEU A 90 8.102 0.525 0.344 1.00 0.00 H new ATOM 0 HD12 LEU A 90 7.302 -1.063 0.398 1.00 0.00 H new ATOM 0 HD13 LEU A 90 6.665 0.287 1.366 1.00 0.00 H new ATOM 0 HD21 LEU A 90 9.378 1.350 2.328 1.00 0.00 H new ATOM 0 HD22 LEU A 90 7.941 1.112 3.352 1.00 0.00 H new ATOM 0 HD23 LEU A 90 9.487 0.350 3.796 1.00 0.00 H new ATOM 1256 N ASP A 91 7.269 -4.021 4.936 1.00 0.00 N ATOM 1257 CA ASP A 91 6.655 -4.647 6.138 1.00 0.00 C ATOM 1258 C ASP A 91 7.746 -5.302 6.991 1.00 0.00 C ATOM 1259 O ASP A 91 7.521 -5.679 8.123 1.00 0.00 O ATOM 1260 CB ASP A 91 5.697 -5.702 5.586 1.00 0.00 C ATOM 1261 CG ASP A 91 4.852 -6.277 6.724 1.00 0.00 C ATOM 1262 OD1 ASP A 91 5.250 -6.128 7.867 1.00 0.00 O ATOM 1263 OD2 ASP A 91 3.819 -6.856 6.432 1.00 0.00 O ATOM 0 H ASP A 91 6.972 -4.413 4.043 1.00 0.00 H new ATOM 0 HA ASP A 91 6.140 -3.925 6.772 1.00 0.00 H new ATOM 0 HB2 ASP A 91 5.051 -5.259 4.828 1.00 0.00 H new ATOM 0 HB3 ASP A 91 6.259 -6.499 5.099 1.00 0.00 H new ATOM 1268 N GLY A 92 8.928 -5.436 6.451 1.00 0.00 N ATOM 1269 CA GLY A 92 10.037 -6.064 7.225 1.00 0.00 C ATOM 1270 C GLY A 92 9.511 -7.296 7.958 1.00 0.00 C ATOM 1271 O GLY A 92 8.466 -7.824 7.632 1.00 0.00 O ATOM 0 H GLY A 92 9.173 -5.137 5.507 1.00 0.00 H new ATOM 0 HA2 GLY A 92 10.849 -6.345 6.555 1.00 0.00 H new ATOM 0 HA3 GLY A 92 10.446 -5.350 7.939 1.00 0.00 H new ATOM 1275 N LYS A 93 10.224 -7.762 8.946 1.00 0.00 N ATOM 1276 CA LYS A 93 9.758 -8.963 9.695 1.00 0.00 C ATOM 1277 C LYS A 93 9.615 -10.150 8.732 1.00 0.00 C ATOM 1278 O LYS A 93 9.484 -9.979 7.537 1.00 0.00 O ATOM 1279 CB LYS A 93 8.406 -8.538 10.304 1.00 0.00 C ATOM 1280 CG LYS A 93 7.320 -9.589 10.035 1.00 0.00 C ATOM 1281 CD LYS A 93 6.177 -9.416 11.036 1.00 0.00 C ATOM 1282 CE LYS A 93 5.024 -8.659 10.374 1.00 0.00 C ATOM 1283 NZ LYS A 93 5.329 -7.218 10.599 1.00 0.00 N ATOM 0 H LYS A 93 11.107 -7.364 9.267 1.00 0.00 H new ATOM 0 HA LYS A 93 10.451 -9.288 10.471 1.00 0.00 H new ATOM 0 HB2 LYS A 93 8.518 -8.394 11.379 1.00 0.00 H new ATOM 0 HB3 LYS A 93 8.100 -7.580 9.884 1.00 0.00 H new ATOM 0 HG2 LYS A 93 6.944 -9.485 9.017 1.00 0.00 H new ATOM 0 HG3 LYS A 93 7.741 -10.591 10.119 1.00 0.00 H new ATOM 0 HD2 LYS A 93 5.834 -10.391 11.383 1.00 0.00 H new ATOM 0 HD3 LYS A 93 6.527 -8.871 11.912 1.00 0.00 H new ATOM 0 HE2 LYS A 93 4.961 -8.888 9.310 1.00 0.00 H new ATOM 0 HE3 LYS A 93 4.066 -8.933 10.816 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 4.619 -6.809 11.240 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 6.274 -7.125 11.024 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 5.307 -6.713 9.690 1.00 0.00 H new ATOM 1297 N LYS A 94 9.638 -11.348 9.247 1.00 0.00 N ATOM 1298 CA LYS A 94 9.503 -12.541 8.364 1.00 0.00 C ATOM 1299 C LYS A 94 8.980 -13.735 9.167 1.00 0.00 C ATOM 1300 O LYS A 94 7.850 -14.153 9.008 1.00 0.00 O ATOM 1301 CB LYS A 94 10.916 -12.821 7.850 1.00 0.00 C ATOM 1302 CG LYS A 94 10.913 -12.802 6.320 1.00 0.00 C ATOM 1303 CD LYS A 94 12.352 -12.735 5.806 1.00 0.00 C ATOM 1304 CE LYS A 94 12.376 -13.075 4.314 1.00 0.00 C ATOM 1305 NZ LYS A 94 11.856 -14.468 4.230 1.00 0.00 N ATOM 0 H LYS A 94 9.744 -11.553 10.241 1.00 0.00 H new ATOM 0 HA LYS A 94 8.800 -12.371 7.548 1.00 0.00 H new ATOM 0 HB2 LYS A 94 11.609 -12.072 8.233 1.00 0.00 H new ATOM 0 HB3 LYS A 94 11.261 -13.789 8.212 1.00 0.00 H new ATOM 0 HG2 LYS A 94 10.420 -13.695 5.936 1.00 0.00 H new ATOM 0 HG3 LYS A 94 10.346 -11.944 5.958 1.00 0.00 H new ATOM 0 HD2 LYS A 94 12.762 -11.738 5.970 1.00 0.00 H new ATOM 0 HD3 LYS A 94 12.980 -13.433 6.359 1.00 0.00 H new ATOM 0 HE2 LYS A 94 11.755 -12.386 3.742 1.00 0.00 H new ATOM 0 HE3 LYS A 94 13.386 -13.005 3.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 12.334 -14.971 3.455 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 12.038 -14.961 5.127 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 10.832 -14.446 4.049 1.00 0.00 H new ATOM 1319 N ASP A 95 9.792 -14.285 10.026 1.00 0.00 N ATOM 1320 CA ASP A 95 9.340 -15.451 10.837 1.00 0.00 C ATOM 1321 C ASP A 95 8.921 -16.602 9.920 1.00 0.00 C ATOM 1322 O ASP A 95 7.765 -16.743 9.574 1.00 0.00 O ATOM 1323 CB ASP A 95 8.139 -14.936 11.632 1.00 0.00 C ATOM 1324 CG ASP A 95 7.981 -15.762 12.909 1.00 0.00 C ATOM 1325 OD1 ASP A 95 7.526 -16.891 12.810 1.00 0.00 O ATOM 1326 OD2 ASP A 95 8.316 -15.253 13.966 1.00 0.00 O ATOM 0 H ASP A 95 10.749 -13.978 10.202 1.00 0.00 H new ATOM 0 HA ASP A 95 10.127 -15.833 11.487 1.00 0.00 H new ATOM 0 HB2 ASP A 95 8.278 -13.884 11.881 1.00 0.00 H new ATOM 0 HB3 ASP A 95 7.234 -15.003 11.028 1.00 0.00 H new ATOM 1331 N ALA A 96 9.851 -17.426 9.525 1.00 0.00 N ATOM 1332 CA ALA A 96 9.504 -18.567 8.631 1.00 0.00 C ATOM 1333 C ALA A 96 9.673 -19.892 9.379 1.00 0.00 C ATOM 1334 O ALA A 96 8.762 -20.692 9.454 1.00 0.00 O ATOM 1335 CB ALA A 96 10.492 -18.472 7.468 1.00 0.00 C ATOM 0 H ALA A 96 10.836 -17.359 9.782 1.00 0.00 H new ATOM 0 HA ALA A 96 8.470 -18.527 8.288 1.00 0.00 H new ATOM 0 HB1 ALA A 96 10.302 -19.281 6.762 1.00 0.00 H new ATOM 0 HB2 ALA A 96 10.369 -17.514 6.963 1.00 0.00 H new ATOM 0 HB3 ALA A 96 11.510 -18.554 7.848 1.00 0.00 H new ATOM 1341 N ARG A 97 10.830 -20.131 9.935 1.00 0.00 N ATOM 1342 CA ARG A 97 11.051 -21.404 10.679 1.00 0.00 C ATOM 1343 C ARG A 97 11.152 -21.126 12.180 1.00 0.00 C ATOM 1344 O ARG A 97 11.914 -21.815 12.840 1.00 0.00 O ATOM 1345 CB ARG A 97 12.373 -21.954 10.143 1.00 0.00 C ATOM 1346 CG ARG A 97 12.312 -22.033 8.617 1.00 0.00 C ATOM 1347 CD ARG A 97 11.038 -22.773 8.198 1.00 0.00 C ATOM 1348 NE ARG A 97 11.188 -22.998 6.734 1.00 0.00 N ATOM 1349 CZ ARG A 97 10.178 -23.442 6.037 1.00 0.00 C ATOM 1350 NH1 ARG A 97 9.266 -22.612 5.611 1.00 0.00 N ATOM 1351 NH2 ARG A 97 10.077 -24.715 5.771 1.00 0.00 N ATOM 1352 OXT ARG A 97 10.466 -20.231 12.645 1.00 0.00 O ATOM 0 H ARG A 97 11.631 -19.500 9.906 1.00 0.00 H new ATOM 0 HA ARG A 97 10.233 -22.111 10.541 1.00 0.00 H new ATOM 0 HB2 ARG A 97 13.198 -21.312 10.452 1.00 0.00 H new ATOM 0 HB3 ARG A 97 12.564 -22.942 10.561 1.00 0.00 H new ATOM 0 HG2 ARG A 97 12.321 -21.031 8.189 1.00 0.00 H new ATOM 0 HG3 ARG A 97 13.190 -22.552 8.233 1.00 0.00 H new ATOM 0 HD2 ARG A 97 10.935 -23.717 8.734 1.00 0.00 H new ATOM 0 HD3 ARG A 97 10.148 -22.183 8.418 1.00 0.00 H new ATOM 0 HE ARG A 97 12.079 -22.805 6.276 1.00 0.00 H new ATOM 0 HH11 ARG A 97 9.343 -21.617 5.823 1.00 0.00 H new ATOM 0 HH12 ARG A 97 8.476 -22.958 5.066 1.00 0.00 H new ATOM 0 HH21 ARG A 97 10.788 -25.364 6.108 1.00 0.00 H new ATOM 0 HH22 ARG A 97 9.287 -25.061 5.226 1.00 0.00 H new TER 1366 ARG A 97