USER MOD reduce.3.24.130724 H: found=0, std=0, add=629, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 628 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= -3.93! (180deg=-6.98!) USER MOD Single : A 24 LYS NZ :NH3+ -134:sc= 0.103 (180deg=0) USER MOD Single : A 26 ASN : amide:sc= 0.384 K(o=0.38,f=-3.2!) USER MOD Single : A 27 GLN : amide:sc= -0.0658 X(o=-0.066,f=0) USER MOD Single : A 31 LYS NZ :NH3+ 171:sc= -0.0467 (180deg=-0.134) USER MOD Single : A 33 GLN :FLIP amide:sc= -2.72 F(o=-3.6!,f=-2.7) USER MOD Single : A 36 HIS :FLIP no HD1:sc= -2.26 F(o=-4.8!,f=-2.3) USER MOD Single : A 46 HIS :FLIP no HE2:sc= -0.17 F(o=-2.2!,f=-0.17) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN :FLIP amide:sc= -5.52 F(o=-9.5!,f=-5.5) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ -154:sc= 0 (180deg=-0.0111) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 165:sc= 0.025 (180deg=-0.0182) USER MOD Single : A 80 ASN : amide:sc= -0.208 K(o=-0.21,f=-1.7!) USER MOD Single : A 82 ASN : amide:sc= -0.0744 X(o=-0.074,f=-0.42) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 TYR OH : rot -167:sc= -1.15! USER MOD ----------------------------------------------------------------- ATOM 25 N GLU A 19 2.529 12.017 1.463 1.00 0.00 N ATOM 26 CA GLU A 19 2.125 12.081 0.037 1.00 0.00 C ATOM 27 C GLU A 19 0.754 11.430 -0.166 1.00 0.00 C ATOM 28 O GLU A 19 0.086 11.663 -1.154 1.00 0.00 O ATOM 29 CB GLU A 19 3.206 11.307 -0.719 1.00 0.00 C ATOM 30 CG GLU A 19 4.525 12.081 -0.656 1.00 0.00 C ATOM 31 CD GLU A 19 4.285 13.535 -1.063 1.00 0.00 C ATOM 32 OE1 GLU A 19 4.198 13.789 -2.253 1.00 0.00 O ATOM 33 OE2 GLU A 19 4.192 14.370 -0.179 1.00 0.00 O ATOM 0 HA GLU A 19 2.037 13.109 -0.316 1.00 0.00 H new ATOM 0 HB2 GLU A 19 3.332 10.316 -0.282 1.00 0.00 H new ATOM 0 HB3 GLU A 19 2.906 11.162 -1.757 1.00 0.00 H new ATOM 0 HG2 GLU A 19 4.936 12.038 0.353 1.00 0.00 H new ATOM 0 HG3 GLU A 19 5.259 11.623 -1.319 1.00 0.00 H new ATOM 40 N PHE A 20 0.332 10.613 0.757 1.00 0.00 N ATOM 41 CA PHE A 20 -0.992 9.942 0.612 1.00 0.00 C ATOM 42 C PHE A 20 -2.008 10.545 1.597 1.00 0.00 C ATOM 43 O PHE A 20 -1.718 11.511 2.273 1.00 0.00 O ATOM 44 CB PHE A 20 -0.699 8.470 0.910 1.00 0.00 C ATOM 45 CG PHE A 20 0.300 7.961 -0.112 1.00 0.00 C ATOM 46 CD1 PHE A 20 1.681 8.174 0.073 1.00 0.00 C ATOM 47 CD2 PHE A 20 -0.154 7.287 -1.258 1.00 0.00 C ATOM 48 CE1 PHE A 20 2.594 7.710 -0.884 1.00 0.00 C ATOM 49 CE2 PHE A 20 0.764 6.829 -2.210 1.00 0.00 C ATOM 50 CZ PHE A 20 2.134 7.038 -2.024 1.00 0.00 C ATOM 0 H PHE A 20 0.846 10.380 1.607 1.00 0.00 H new ATOM 0 HA PHE A 20 -1.436 10.069 -0.376 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -0.299 8.360 1.918 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -1.617 7.885 0.866 1.00 0.00 H new ATOM 0 HD1 PHE A 20 2.035 8.694 0.951 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -1.211 7.122 -1.404 1.00 0.00 H new ATOM 0 HE1 PHE A 20 3.653 7.871 -0.742 1.00 0.00 H new ATOM 0 HE2 PHE A 20 0.413 6.312 -3.091 1.00 0.00 H new ATOM 0 HZ PHE A 20 2.839 6.681 -2.760 1.00 0.00 H new ATOM 60 N ARG A 21 -3.202 10.007 1.669 1.00 0.00 N ATOM 61 CA ARG A 21 -4.220 10.593 2.598 1.00 0.00 C ATOM 62 C ARG A 21 -4.223 9.878 3.948 1.00 0.00 C ATOM 63 O ARG A 21 -4.133 10.497 4.990 1.00 0.00 O ATOM 64 CB ARG A 21 -5.569 10.390 1.910 1.00 0.00 C ATOM 65 CG ARG A 21 -5.638 11.256 0.657 1.00 0.00 C ATOM 66 CD ARG A 21 -5.104 10.453 -0.522 1.00 0.00 C ATOM 67 NE ARG A 21 -5.672 11.114 -1.728 1.00 0.00 N ATOM 68 CZ ARG A 21 -6.965 11.232 -1.857 1.00 0.00 C ATOM 69 NH1 ARG A 21 -7.747 10.244 -1.518 1.00 0.00 N ATOM 70 NH2 ARG A 21 -7.476 12.337 -2.325 1.00 0.00 N ATOM 0 H ARG A 21 -3.513 9.198 1.132 1.00 0.00 H new ATOM 0 HA ARG A 21 -4.003 11.643 2.796 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -5.700 9.340 1.647 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -6.379 10.652 2.591 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -6.666 11.566 0.468 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -5.051 12.164 0.793 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -4.014 10.461 -0.544 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -5.414 9.410 -0.461 1.00 0.00 H new ATOM 0 HE ARG A 21 -5.051 11.474 -2.453 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -7.347 9.380 -1.152 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -8.758 10.336 -1.619 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -6.865 13.109 -2.590 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -8.487 12.429 -2.426 1.00 0.00 H new ATOM 84 N MET A 22 -4.348 8.582 3.940 1.00 0.00 N ATOM 85 CA MET A 22 -4.382 7.832 5.226 1.00 0.00 C ATOM 86 C MET A 22 -2.971 7.648 5.779 1.00 0.00 C ATOM 87 O MET A 22 -1.999 7.661 5.050 1.00 0.00 O ATOM 88 CB MET A 22 -5.003 6.482 4.877 1.00 0.00 C ATOM 89 CG MET A 22 -6.288 6.707 4.079 1.00 0.00 C ATOM 90 SD MET A 22 -7.230 5.165 4.015 1.00 0.00 S ATOM 91 CE MET A 22 -7.170 4.941 2.222 1.00 0.00 C ATOM 0 H MET A 22 -4.428 8.009 3.100 1.00 0.00 H new ATOM 0 HA MET A 22 -4.950 8.359 5.993 1.00 0.00 H new ATOM 0 HB2 MET A 22 -4.300 5.885 4.296 1.00 0.00 H new ATOM 0 HB3 MET A 22 -5.220 5.923 5.787 1.00 0.00 H new ATOM 0 HG2 MET A 22 -6.885 7.492 4.543 1.00 0.00 H new ATOM 0 HG3 MET A 22 -6.049 7.043 3.070 1.00 0.00 H new ATOM 0 HE1 MET A 22 -8.110 4.510 1.878 1.00 0.00 H new ATOM 0 HE2 MET A 22 -7.015 5.906 1.740 1.00 0.00 H new ATOM 0 HE3 MET A 22 -6.348 4.272 1.966 1.00 0.00 H new ATOM 101 N GLU A 23 -2.854 7.475 7.065 1.00 0.00 N ATOM 102 CA GLU A 23 -1.508 7.288 7.667 1.00 0.00 C ATOM 103 C GLU A 23 -0.960 5.908 7.309 1.00 0.00 C ATOM 104 O GLU A 23 0.212 5.639 7.467 1.00 0.00 O ATOM 105 CB GLU A 23 -1.719 7.409 9.174 1.00 0.00 C ATOM 106 CG GLU A 23 -0.469 6.908 9.897 1.00 0.00 C ATOM 107 CD GLU A 23 -0.607 7.180 11.395 1.00 0.00 C ATOM 108 OE1 GLU A 23 -1.379 8.055 11.748 1.00 0.00 O ATOM 109 OE2 GLU A 23 0.060 6.507 12.163 1.00 0.00 O ATOM 0 H GLU A 23 -3.632 7.455 7.724 1.00 0.00 H new ATOM 0 HA GLU A 23 -0.789 8.021 7.302 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -1.919 8.446 9.443 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -2.589 6.827 9.480 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -0.336 5.841 9.720 1.00 0.00 H new ATOM 0 HG3 GLU A 23 0.417 7.408 9.505 1.00 0.00 H new ATOM 116 N LYS A 24 -1.790 5.027 6.819 1.00 0.00 N ATOM 117 CA LYS A 24 -1.282 3.680 6.444 1.00 0.00 C ATOM 118 C LYS A 24 -0.457 3.799 5.157 1.00 0.00 C ATOM 119 O LYS A 24 0.682 3.364 5.090 1.00 0.00 O ATOM 120 CB LYS A 24 -2.523 2.800 6.240 1.00 0.00 C ATOM 121 CG LYS A 24 -3.393 3.361 5.113 1.00 0.00 C ATOM 122 CD LYS A 24 -4.800 2.770 5.212 1.00 0.00 C ATOM 123 CE LYS A 24 -4.865 1.465 4.415 1.00 0.00 C ATOM 124 NZ LYS A 24 -5.942 0.669 5.065 1.00 0.00 N ATOM 0 H LYS A 24 -2.786 5.180 6.664 1.00 0.00 H new ATOM 0 HA LYS A 24 -0.634 3.246 7.206 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -2.219 1.781 6.001 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -3.099 2.752 7.164 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -3.438 4.448 5.181 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -2.953 3.120 4.145 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -5.055 2.584 6.255 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -5.532 3.480 4.827 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -5.093 1.654 3.366 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -3.912 0.937 4.444 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -5.616 -0.309 5.203 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -6.176 1.090 5.987 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -6.787 0.669 4.459 1.00 0.00 H new ATOM 138 N LEU A 25 -0.999 4.425 4.143 1.00 0.00 N ATOM 139 CA LEU A 25 -0.217 4.596 2.893 1.00 0.00 C ATOM 140 C LEU A 25 0.981 5.479 3.201 1.00 0.00 C ATOM 141 O LEU A 25 2.103 5.132 2.918 1.00 0.00 O ATOM 142 CB LEU A 25 -1.156 5.281 1.897 1.00 0.00 C ATOM 143 CG LEU A 25 -2.294 4.337 1.479 1.00 0.00 C ATOM 144 CD1 LEU A 25 -2.791 4.738 0.091 1.00 0.00 C ATOM 145 CD2 LEU A 25 -1.806 2.885 1.423 1.00 0.00 C ATOM 0 H LEU A 25 -1.940 4.819 4.131 1.00 0.00 H new ATOM 0 HA LEU A 25 0.147 3.653 2.486 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -1.572 6.183 2.345 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -0.594 5.592 1.016 1.00 0.00 H new ATOM 0 HG LEU A 25 -3.095 4.414 2.214 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -3.599 4.072 -0.213 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -3.157 5.764 0.118 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -1.972 4.664 -0.624 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -2.629 2.236 1.125 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -0.997 2.801 0.698 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -1.445 2.584 2.406 1.00 0.00 H new ATOM 157 N ASN A 26 0.754 6.609 3.812 1.00 0.00 N ATOM 158 CA ASN A 26 1.894 7.492 4.167 1.00 0.00 C ATOM 159 C ASN A 26 2.976 6.646 4.832 1.00 0.00 C ATOM 160 O ASN A 26 4.053 6.460 4.308 1.00 0.00 O ATOM 161 CB ASN A 26 1.324 8.496 5.172 1.00 0.00 C ATOM 162 CG ASN A 26 0.783 9.721 4.437 1.00 0.00 C ATOM 163 OD1 ASN A 26 1.417 10.231 3.537 1.00 0.00 O ATOM 164 ND2 ASN A 26 -0.369 10.223 4.793 1.00 0.00 N ATOM 0 H ASN A 26 -0.168 6.956 4.079 1.00 0.00 H new ATOM 0 HA ASN A 26 2.331 7.992 3.302 1.00 0.00 H new ATOM 0 HB2 ASN A 26 0.528 8.030 5.753 1.00 0.00 H new ATOM 0 HB3 ASN A 26 2.099 8.797 5.877 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -0.737 11.045 4.314 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -0.901 9.793 5.550 1.00 0.00 H new ATOM 171 N GLN A 27 2.676 6.127 5.988 1.00 0.00 N ATOM 172 CA GLN A 27 3.658 5.281 6.718 1.00 0.00 C ATOM 173 C GLN A 27 4.386 4.337 5.757 1.00 0.00 C ATOM 174 O GLN A 27 5.577 4.143 5.859 1.00 0.00 O ATOM 175 CB GLN A 27 2.822 4.484 7.720 1.00 0.00 C ATOM 176 CG GLN A 27 2.656 5.295 9.007 1.00 0.00 C ATOM 177 CD GLN A 27 2.378 4.350 10.176 1.00 0.00 C ATOM 178 OE1 GLN A 27 2.917 4.523 11.252 1.00 0.00 O ATOM 179 NE2 GLN A 27 1.556 3.349 10.012 1.00 0.00 N ATOM 0 H GLN A 27 1.783 6.254 6.463 1.00 0.00 H new ATOM 0 HA GLN A 27 4.428 5.880 7.205 1.00 0.00 H new ATOM 0 HB2 GLN A 27 1.845 4.255 7.294 1.00 0.00 H new ATOM 0 HB3 GLN A 27 3.306 3.532 7.938 1.00 0.00 H new ATOM 0 HG2 GLN A 27 3.558 5.875 9.202 1.00 0.00 H new ATOM 0 HG3 GLN A 27 1.837 6.006 8.898 1.00 0.00 H new ATOM 0 HE21 GLN A 27 1.103 3.203 9.110 1.00 0.00 H new ATOM 0 HE22 GLN A 27 1.366 2.713 10.786 1.00 0.00 H new ATOM 188 N LEU A 28 3.684 3.732 4.834 1.00 0.00 N ATOM 189 CA LEU A 28 4.365 2.788 3.891 1.00 0.00 C ATOM 190 C LEU A 28 5.348 3.525 2.973 1.00 0.00 C ATOM 191 O LEU A 28 6.448 3.066 2.722 1.00 0.00 O ATOM 192 CB LEU A 28 3.235 2.158 3.065 1.00 0.00 C ATOM 193 CG LEU A 28 3.194 0.651 3.320 1.00 0.00 C ATOM 194 CD1 LEU A 28 2.215 0.350 4.456 1.00 0.00 C ATOM 195 CD2 LEU A 28 2.734 -0.062 2.047 1.00 0.00 C ATOM 0 H LEU A 28 2.681 3.847 4.691 1.00 0.00 H new ATOM 0 HA LEU A 28 4.950 2.043 4.431 1.00 0.00 H new ATOM 0 HB2 LEU A 28 2.280 2.609 3.333 1.00 0.00 H new ATOM 0 HB3 LEU A 28 3.393 2.354 2.004 1.00 0.00 H new ATOM 0 HG LEU A 28 4.188 0.300 3.599 1.00 0.00 H new ATOM 0 HD11 LEU A 28 2.187 -0.725 4.637 1.00 0.00 H new ATOM 0 HD12 LEU A 28 2.540 0.862 5.362 1.00 0.00 H new ATOM 0 HD13 LEU A 28 1.220 0.698 4.180 1.00 0.00 H new ATOM 0 HD21 LEU A 28 2.703 -1.137 2.223 1.00 0.00 H new ATOM 0 HD22 LEU A 28 1.740 0.290 1.772 1.00 0.00 H new ATOM 0 HD23 LEU A 28 3.431 0.153 1.237 1.00 0.00 H new ATOM 207 N TRP A 29 4.965 4.656 2.464 1.00 0.00 N ATOM 208 CA TRP A 29 5.871 5.411 1.564 1.00 0.00 C ATOM 209 C TRP A 29 7.072 5.935 2.359 1.00 0.00 C ATOM 210 O TRP A 29 8.213 5.629 2.052 1.00 0.00 O ATOM 211 CB TRP A 29 4.989 6.538 1.036 1.00 0.00 C ATOM 212 CG TRP A 29 5.792 7.492 0.228 1.00 0.00 C ATOM 213 CD1 TRP A 29 5.820 8.823 0.428 1.00 0.00 C ATOM 214 CD2 TRP A 29 6.659 7.224 -0.910 1.00 0.00 C ATOM 215 NE1 TRP A 29 6.666 9.397 -0.506 1.00 0.00 N ATOM 216 CE2 TRP A 29 7.206 8.450 -1.356 1.00 0.00 C ATOM 217 CE3 TRP A 29 7.024 6.048 -1.589 1.00 0.00 C ATOM 218 CZ2 TRP A 29 8.084 8.509 -2.437 1.00 0.00 C ATOM 219 CZ3 TRP A 29 7.906 6.103 -2.680 1.00 0.00 C ATOM 220 CH2 TRP A 29 8.435 7.331 -3.103 1.00 0.00 C ATOM 0 H TRP A 29 4.059 5.093 2.633 1.00 0.00 H new ATOM 0 HA TRP A 29 6.293 4.816 0.754 1.00 0.00 H new ATOM 0 HB2 TRP A 29 4.185 6.124 0.428 1.00 0.00 H new ATOM 0 HB3 TRP A 29 4.521 7.062 1.869 1.00 0.00 H new ATOM 0 HD1 TRP A 29 5.273 9.356 1.192 1.00 0.00 H new ATOM 0 HE1 TRP A 29 6.866 10.396 -0.560 1.00 0.00 H new ATOM 0 HE3 TRP A 29 6.624 5.097 -1.270 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 8.490 9.457 -2.757 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 8.179 5.194 -3.196 1.00 0.00 H new ATOM 0 HH2 TRP A 29 9.113 7.367 -3.943 1.00 0.00 H new ATOM 231 N GLU A 30 6.840 6.700 3.393 1.00 0.00 N ATOM 232 CA GLU A 30 7.976 7.195 4.195 1.00 0.00 C ATOM 233 C GLU A 30 8.798 5.999 4.666 1.00 0.00 C ATOM 234 O GLU A 30 10.008 6.052 4.755 1.00 0.00 O ATOM 235 CB GLU A 30 7.351 7.946 5.367 1.00 0.00 C ATOM 236 CG GLU A 30 6.179 7.162 5.955 1.00 0.00 C ATOM 237 CD GLU A 30 6.230 7.256 7.482 1.00 0.00 C ATOM 238 OE1 GLU A 30 7.263 6.925 8.042 1.00 0.00 O ATOM 239 OE2 GLU A 30 5.237 7.658 8.065 1.00 0.00 O ATOM 0 H GLU A 30 5.917 6.997 3.708 1.00 0.00 H new ATOM 0 HA GLU A 30 8.645 7.850 3.638 1.00 0.00 H new ATOM 0 HB2 GLU A 30 8.103 8.116 6.138 1.00 0.00 H new ATOM 0 HB3 GLU A 30 7.008 8.926 5.035 1.00 0.00 H new ATOM 0 HG2 GLU A 30 5.235 7.562 5.585 1.00 0.00 H new ATOM 0 HG3 GLU A 30 6.228 6.120 5.640 1.00 0.00 H new ATOM 246 N LYS A 31 8.141 4.902 4.924 1.00 0.00 N ATOM 247 CA LYS A 31 8.867 3.673 5.338 1.00 0.00 C ATOM 248 C LYS A 31 9.850 3.335 4.215 1.00 0.00 C ATOM 249 O LYS A 31 11.018 3.061 4.439 1.00 0.00 O ATOM 250 CB LYS A 31 7.759 2.618 5.494 1.00 0.00 C ATOM 251 CG LYS A 31 8.342 1.228 5.738 1.00 0.00 C ATOM 252 CD LYS A 31 8.933 1.177 7.135 1.00 0.00 C ATOM 253 CE LYS A 31 10.334 1.750 7.053 1.00 0.00 C ATOM 254 NZ LYS A 31 11.189 0.801 7.821 1.00 0.00 N ATOM 0 H LYS A 31 7.127 4.806 4.865 1.00 0.00 H new ATOM 0 HA LYS A 31 9.441 3.754 6.261 1.00 0.00 H new ATOM 0 HB2 LYS A 31 7.108 2.892 6.324 1.00 0.00 H new ATOM 0 HB3 LYS A 31 7.141 2.602 4.596 1.00 0.00 H new ATOM 0 HG2 LYS A 31 7.566 0.470 5.630 1.00 0.00 H new ATOM 0 HG3 LYS A 31 9.109 1.006 4.996 1.00 0.00 H new ATOM 0 HD2 LYS A 31 8.323 1.752 7.832 1.00 0.00 H new ATOM 0 HD3 LYS A 31 8.958 0.152 7.504 1.00 0.00 H new ATOM 0 HE2 LYS A 31 10.667 1.831 6.018 1.00 0.00 H new ATOM 0 HE3 LYS A 31 10.375 2.752 7.480 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 12.190 1.046 7.682 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 10.954 0.863 8.832 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 11.020 -0.169 7.485 1.00 0.00 H new ATOM 268 N ALA A 32 9.393 3.403 2.993 1.00 0.00 N ATOM 269 CA ALA A 32 10.300 3.138 1.852 1.00 0.00 C ATOM 270 C ALA A 32 11.498 4.076 1.951 1.00 0.00 C ATOM 271 O ALA A 32 12.638 3.658 1.922 1.00 0.00 O ATOM 272 CB ALA A 32 9.481 3.453 0.603 1.00 0.00 C ATOM 0 H ALA A 32 8.431 3.631 2.741 1.00 0.00 H new ATOM 0 HA ALA A 32 10.672 2.114 1.835 1.00 0.00 H new ATOM 0 HB1 ALA A 32 10.090 3.279 -0.284 1.00 0.00 H new ATOM 0 HB2 ALA A 32 8.602 2.809 0.572 1.00 0.00 H new ATOM 0 HB3 ALA A 32 9.166 4.496 0.628 1.00 0.00 H new ATOM 278 N GLN A 33 11.240 5.349 2.086 1.00 0.00 N ATOM 279 CA GLN A 33 12.360 6.323 2.209 1.00 0.00 C ATOM 280 C GLN A 33 13.242 5.929 3.392 1.00 0.00 C ATOM 281 O GLN A 33 14.422 6.220 3.430 1.00 0.00 O ATOM 282 CB GLN A 33 11.681 7.670 2.455 1.00 0.00 C ATOM 283 CG GLN A 33 10.851 8.044 1.226 1.00 0.00 C ATOM 284 CD GLN A 33 9.814 9.101 1.600 1.00 0.00 C ATOM 285 OE1 GLN A 33 8.586 8.955 1.190 1.00 0.00 O flip ATOM 286 NE2 GLN A 33 10.125 10.069 2.268 1.00 0.00 N flip ATOM 0 H GLN A 33 10.305 5.755 2.116 1.00 0.00 H new ATOM 0 HA GLN A 33 13.000 6.355 1.327 1.00 0.00 H new ATOM 0 HB2 GLN A 33 11.043 7.614 3.337 1.00 0.00 H new ATOM 0 HB3 GLN A 33 12.429 8.438 2.651 1.00 0.00 H new ATOM 0 HG2 GLN A 33 11.502 8.424 0.439 1.00 0.00 H new ATOM 0 HG3 GLN A 33 10.354 7.159 0.829 1.00 0.00 H new ATOM 0 HE21 GLN A 33 11.087 10.180 2.587 1.00 0.00 H new ATOM 0 HE22 GLN A 33 9.423 10.769 2.509 1.00 0.00 H new ATOM 295 N ARG A 34 12.675 5.252 4.354 1.00 0.00 N ATOM 296 CA ARG A 34 13.467 4.816 5.537 1.00 0.00 C ATOM 297 C ARG A 34 14.410 3.682 5.136 1.00 0.00 C ATOM 298 O ARG A 34 15.530 3.599 5.599 1.00 0.00 O ATOM 299 CB ARG A 34 12.429 4.320 6.546 1.00 0.00 C ATOM 300 CG ARG A 34 12.488 5.184 7.806 1.00 0.00 C ATOM 301 CD ARG A 34 11.534 6.371 7.655 1.00 0.00 C ATOM 302 NE ARG A 34 10.978 6.591 9.018 1.00 0.00 N ATOM 303 CZ ARG A 34 9.944 7.371 9.183 1.00 0.00 C ATOM 304 NH1 ARG A 34 9.759 8.389 8.387 1.00 0.00 N ATOM 305 NH2 ARG A 34 9.096 7.135 10.146 1.00 0.00 N ATOM 0 H ARG A 34 11.692 4.981 4.370 1.00 0.00 H new ATOM 0 HA ARG A 34 14.081 5.617 5.949 1.00 0.00 H new ATOM 0 HB2 ARG A 34 11.432 4.364 6.109 1.00 0.00 H new ATOM 0 HB3 ARG A 34 12.621 3.277 6.798 1.00 0.00 H new ATOM 0 HG2 ARG A 34 12.214 4.592 8.679 1.00 0.00 H new ATOM 0 HG3 ARG A 34 13.505 5.540 7.969 1.00 0.00 H new ATOM 0 HD2 ARG A 34 12.058 7.256 7.295 1.00 0.00 H new ATOM 0 HD3 ARG A 34 10.744 6.154 6.936 1.00 0.00 H new ATOM 0 HE ARG A 34 11.405 6.132 9.823 1.00 0.00 H new ATOM 0 HH11 ARG A 34 10.423 8.576 7.635 1.00 0.00 H new ATOM 0 HH12 ARG A 34 8.951 8.998 8.517 1.00 0.00 H new ATOM 0 HH21 ARG A 34 9.241 6.341 10.770 1.00 0.00 H new ATOM 0 HH22 ARG A 34 8.288 7.744 10.275 1.00 0.00 H new ATOM 319 N LEU A 35 13.967 2.810 4.269 1.00 0.00 N ATOM 320 CA LEU A 35 14.846 1.682 3.831 1.00 0.00 C ATOM 321 C LEU A 35 15.938 2.187 2.882 1.00 0.00 C ATOM 322 O LEU A 35 16.713 1.416 2.356 1.00 0.00 O ATOM 323 CB LEU A 35 13.922 0.710 3.100 1.00 0.00 C ATOM 324 CG LEU A 35 13.240 -0.200 4.117 1.00 0.00 C ATOM 325 CD1 LEU A 35 11.976 0.485 4.636 1.00 0.00 C ATOM 326 CD2 LEU A 35 12.868 -1.525 3.447 1.00 0.00 C ATOM 0 H LEU A 35 13.039 2.828 3.846 1.00 0.00 H new ATOM 0 HA LEU A 35 15.350 1.212 4.676 1.00 0.00 H new ATOM 0 HB2 LEU A 35 13.174 1.261 2.529 1.00 0.00 H new ATOM 0 HB3 LEU A 35 14.492 0.115 2.387 1.00 0.00 H new ATOM 0 HG LEU A 35 13.917 -0.395 4.949 1.00 0.00 H new ATOM 0 HD11 LEU A 35 11.484 -0.161 5.363 1.00 0.00 H new ATOM 0 HD12 LEU A 35 12.243 1.429 5.111 1.00 0.00 H new ATOM 0 HD13 LEU A 35 11.298 0.676 3.804 1.00 0.00 H new ATOM 0 HD21 LEU A 35 12.381 -2.176 4.173 1.00 0.00 H new ATOM 0 HD22 LEU A 35 12.188 -1.335 2.617 1.00 0.00 H new ATOM 0 HD23 LEU A 35 13.770 -2.010 3.073 1.00 0.00 H new ATOM 338 N HIS A 36 15.996 3.472 2.659 1.00 0.00 N ATOM 339 CA HIS A 36 17.032 4.038 1.745 1.00 0.00 C ATOM 340 C HIS A 36 16.809 3.557 0.312 1.00 0.00 C ATOM 341 O HIS A 36 17.716 3.556 -0.496 1.00 0.00 O ATOM 342 CB HIS A 36 18.377 3.533 2.274 1.00 0.00 C ATOM 343 CG HIS A 36 18.493 3.843 3.740 1.00 0.00 C ATOM 344 ND1 HIS A 36 17.981 3.224 4.854 1.00 0.00 N flip ATOM 345 CD2 HIS A 36 19.224 4.923 4.207 1.00 0.00 C flip ATOM 346 CE1 HIS A 36 18.387 3.908 5.995 1.00 0.00 C flip ATOM 347 NE2 HIS A 36 19.132 4.923 5.549 1.00 0.00 N flip ATOM 0 H HIS A 36 15.366 4.159 3.073 1.00 0.00 H new ATOM 0 HA HIS A 36 16.991 5.127 1.724 1.00 0.00 H new ATOM 0 HB2 HIS A 36 18.462 2.459 2.112 1.00 0.00 H new ATOM 0 HB3 HIS A 36 19.194 4.004 1.727 1.00 0.00 H new ATOM 0 HD2 HIS A 36 19.768 5.635 3.604 1.00 0.00 H new ATOM 0 HE1 HIS A 36 18.151 3.670 7.021 1.00 0.00 H new ATOM 0 HE2 HIS A 36 19.577 5.614 6.153 1.00 0.00 H new ATOM 355 N LEU A 37 15.612 3.156 -0.019 1.00 0.00 N ATOM 356 CA LEU A 37 15.356 2.690 -1.407 1.00 0.00 C ATOM 357 C LEU A 37 15.904 3.704 -2.409 1.00 0.00 C ATOM 358 O LEU A 37 16.096 4.859 -2.084 1.00 0.00 O ATOM 359 CB LEU A 37 13.833 2.627 -1.533 1.00 0.00 C ATOM 360 CG LEU A 37 13.294 1.387 -0.825 1.00 0.00 C ATOM 361 CD1 LEU A 37 11.772 1.405 -0.891 1.00 0.00 C ATOM 362 CD2 LEU A 37 13.809 0.131 -1.525 1.00 0.00 C ATOM 0 H LEU A 37 14.807 3.132 0.607 1.00 0.00 H new ATOM 0 HA LEU A 37 15.832 1.730 -1.607 1.00 0.00 H new ATOM 0 HB2 LEU A 37 13.388 3.523 -1.101 1.00 0.00 H new ATOM 0 HB3 LEU A 37 13.549 2.606 -2.585 1.00 0.00 H new ATOM 0 HG LEU A 37 13.626 1.385 0.213 1.00 0.00 H new ATOM 0 HD11 LEU A 37 11.376 0.523 -0.388 1.00 0.00 H new ATOM 0 HD12 LEU A 37 11.397 2.303 -0.399 1.00 0.00 H new ATOM 0 HD13 LEU A 37 11.453 1.402 -1.933 1.00 0.00 H new ATOM 0 HD21 LEU A 37 13.423 -0.753 -1.017 1.00 0.00 H new ATOM 0 HD22 LEU A 37 13.474 0.129 -2.562 1.00 0.00 H new ATOM 0 HD23 LEU A 37 14.899 0.119 -1.496 1.00 0.00 H new ATOM 374 N PRO A 38 16.108 3.240 -3.606 1.00 0.00 N ATOM 375 CA PRO A 38 16.593 4.116 -4.687 1.00 0.00 C ATOM 376 C PRO A 38 15.400 4.883 -5.257 1.00 0.00 C ATOM 377 O PRO A 38 14.275 4.649 -4.863 1.00 0.00 O ATOM 378 CB PRO A 38 17.153 3.141 -5.716 1.00 0.00 C ATOM 379 CG PRO A 38 16.427 1.854 -5.478 1.00 0.00 C ATOM 380 CD PRO A 38 15.916 1.865 -4.056 1.00 0.00 C ATOM 0 HA PRO A 38 17.336 4.849 -4.372 1.00 0.00 H new ATOM 0 HB2 PRO A 38 16.989 3.503 -6.731 1.00 0.00 H new ATOM 0 HB3 PRO A 38 18.229 3.014 -5.593 1.00 0.00 H new ATOM 0 HG2 PRO A 38 15.600 1.747 -6.180 1.00 0.00 H new ATOM 0 HG3 PRO A 38 17.092 1.005 -5.638 1.00 0.00 H new ATOM 0 HD2 PRO A 38 14.866 1.576 -4.010 1.00 0.00 H new ATOM 0 HD3 PRO A 38 16.468 1.163 -3.431 1.00 0.00 H new ATOM 388 N PRO A 39 15.673 5.771 -6.166 1.00 0.00 N ATOM 389 CA PRO A 39 14.585 6.567 -6.783 1.00 0.00 C ATOM 390 C PRO A 39 13.719 5.683 -7.689 1.00 0.00 C ATOM 391 O PRO A 39 12.534 5.913 -7.843 1.00 0.00 O ATOM 392 CB PRO A 39 15.332 7.631 -7.581 1.00 0.00 C ATOM 393 CG PRO A 39 16.675 7.034 -7.859 1.00 0.00 C ATOM 394 CD PRO A 39 16.992 6.118 -6.705 1.00 0.00 C ATOM 0 HA PRO A 39 13.898 7.000 -6.056 1.00 0.00 H new ATOM 0 HB2 PRO A 39 14.808 7.871 -8.506 1.00 0.00 H new ATOM 0 HB3 PRO A 39 15.422 8.558 -7.015 1.00 0.00 H new ATOM 0 HG2 PRO A 39 16.666 6.482 -8.799 1.00 0.00 H new ATOM 0 HG3 PRO A 39 17.432 7.813 -7.954 1.00 0.00 H new ATOM 0 HD2 PRO A 39 17.536 5.233 -7.034 1.00 0.00 H new ATOM 0 HD3 PRO A 39 17.612 6.614 -5.958 1.00 0.00 H new ATOM 402 N VAL A 40 14.291 4.669 -8.282 1.00 0.00 N ATOM 403 CA VAL A 40 13.482 3.777 -9.166 1.00 0.00 C ATOM 404 C VAL A 40 12.480 2.975 -8.336 1.00 0.00 C ATOM 405 O VAL A 40 11.313 2.893 -8.664 1.00 0.00 O ATOM 406 CB VAL A 40 14.486 2.842 -9.839 1.00 0.00 C ATOM 407 CG1 VAL A 40 15.104 1.898 -8.807 1.00 0.00 C ATOM 408 CG2 VAL A 40 13.764 2.016 -10.906 1.00 0.00 C ATOM 0 H VAL A 40 15.276 4.420 -8.194 1.00 0.00 H new ATOM 0 HA VAL A 40 12.909 4.346 -9.898 1.00 0.00 H new ATOM 0 HB VAL A 40 15.277 3.437 -10.295 1.00 0.00 H new ATOM 0 HG11 VAL A 40 15.817 1.237 -9.300 1.00 0.00 H new ATOM 0 HG12 VAL A 40 15.617 2.481 -8.042 1.00 0.00 H new ATOM 0 HG13 VAL A 40 14.318 1.302 -8.343 1.00 0.00 H new ATOM 0 HG21 VAL A 40 14.475 1.346 -11.390 1.00 0.00 H new ATOM 0 HG22 VAL A 40 12.973 1.429 -10.439 1.00 0.00 H new ATOM 0 HG23 VAL A 40 13.329 2.683 -11.650 1.00 0.00 H new ATOM 418 N ARG A 41 12.921 2.383 -7.261 1.00 0.00 N ATOM 419 CA ARG A 41 11.990 1.594 -6.420 1.00 0.00 C ATOM 420 C ARG A 41 11.035 2.526 -5.689 1.00 0.00 C ATOM 421 O ARG A 41 9.923 2.162 -5.373 1.00 0.00 O ATOM 422 CB ARG A 41 12.889 0.871 -5.436 1.00 0.00 C ATOM 423 CG ARG A 41 12.843 -0.621 -5.726 1.00 0.00 C ATOM 424 CD ARG A 41 13.253 -1.379 -4.476 1.00 0.00 C ATOM 425 NE ARG A 41 14.705 -1.108 -4.325 1.00 0.00 N ATOM 426 CZ ARG A 41 15.577 -2.028 -4.635 1.00 0.00 C ATOM 427 NH1 ARG A 41 15.780 -2.339 -5.885 1.00 0.00 N ATOM 428 NH2 ARG A 41 16.246 -2.634 -3.695 1.00 0.00 N ATOM 0 H ARG A 41 13.886 2.414 -6.932 1.00 0.00 H new ATOM 0 HA ARG A 41 11.377 0.904 -7.000 1.00 0.00 H new ATOM 0 HB2 ARG A 41 13.911 1.239 -5.520 1.00 0.00 H new ATOM 0 HB3 ARG A 41 12.563 1.066 -4.414 1.00 0.00 H new ATOM 0 HG2 ARG A 41 11.839 -0.914 -6.032 1.00 0.00 H new ATOM 0 HG3 ARG A 41 13.512 -0.865 -6.551 1.00 0.00 H new ATOM 0 HD2 ARG A 41 12.694 -1.036 -3.605 1.00 0.00 H new ATOM 0 HD3 ARG A 41 13.059 -2.447 -4.580 1.00 0.00 H new ATOM 0 HE ARG A 41 15.021 -0.202 -3.979 1.00 0.00 H new ATOM 0 HH11 ARG A 41 15.257 -1.863 -6.620 1.00 0.00 H new ATOM 0 HH12 ARG A 41 16.462 -3.058 -6.127 1.00 0.00 H new ATOM 0 HH21 ARG A 41 16.088 -2.389 -2.718 1.00 0.00 H new ATOM 0 HH22 ARG A 41 16.928 -3.353 -3.937 1.00 0.00 H new ATOM 442 N LEU A 42 11.457 3.729 -5.425 1.00 0.00 N ATOM 443 CA LEU A 42 10.560 4.685 -4.729 1.00 0.00 C ATOM 444 C LEU A 42 9.557 5.236 -5.733 1.00 0.00 C ATOM 445 O LEU A 42 8.465 5.631 -5.384 1.00 0.00 O ATOM 446 CB LEU A 42 11.471 5.791 -4.219 1.00 0.00 C ATOM 447 CG LEU A 42 12.335 5.252 -3.085 1.00 0.00 C ATOM 448 CD1 LEU A 42 13.510 6.204 -2.876 1.00 0.00 C ATOM 449 CD2 LEU A 42 11.500 5.170 -1.801 1.00 0.00 C ATOM 0 H LEU A 42 12.382 4.089 -5.661 1.00 0.00 H new ATOM 0 HA LEU A 42 10.000 4.227 -3.913 1.00 0.00 H new ATOM 0 HB2 LEU A 42 12.102 6.160 -5.028 1.00 0.00 H new ATOM 0 HB3 LEU A 42 10.876 6.635 -3.869 1.00 0.00 H new ATOM 0 HG LEU A 42 12.703 4.256 -3.333 1.00 0.00 H new ATOM 0 HD11 LEU A 42 14.139 5.833 -2.067 1.00 0.00 H new ATOM 0 HD12 LEU A 42 14.096 6.265 -3.793 1.00 0.00 H new ATOM 0 HD13 LEU A 42 13.135 7.194 -2.619 1.00 0.00 H new ATOM 0 HD21 LEU A 42 12.117 4.785 -0.990 1.00 0.00 H new ATOM 0 HD22 LEU A 42 11.136 6.164 -1.540 1.00 0.00 H new ATOM 0 HD23 LEU A 42 10.652 4.503 -1.960 1.00 0.00 H new ATOM 461 N ALA A 43 9.918 5.250 -6.986 1.00 0.00 N ATOM 462 CA ALA A 43 8.972 5.749 -8.020 1.00 0.00 C ATOM 463 C ALA A 43 7.916 4.673 -8.275 1.00 0.00 C ATOM 464 O ALA A 43 6.727 4.907 -8.150 1.00 0.00 O ATOM 465 CB ALA A 43 9.824 5.984 -9.268 1.00 0.00 C ATOM 0 H ALA A 43 10.824 4.939 -7.337 1.00 0.00 H new ATOM 0 HA ALA A 43 8.454 6.661 -7.723 1.00 0.00 H new ATOM 0 HB1 ALA A 43 9.192 6.354 -10.076 1.00 0.00 H new ATOM 0 HB2 ALA A 43 10.598 6.719 -9.047 1.00 0.00 H new ATOM 0 HB3 ALA A 43 10.290 5.047 -9.572 1.00 0.00 H new ATOM 471 N GLU A 44 8.344 3.482 -8.606 1.00 0.00 N ATOM 472 CA GLU A 44 7.371 2.381 -8.841 1.00 0.00 C ATOM 473 C GLU A 44 6.582 2.136 -7.554 1.00 0.00 C ATOM 474 O GLU A 44 5.386 1.918 -7.573 1.00 0.00 O ATOM 475 CB GLU A 44 8.227 1.165 -9.201 1.00 0.00 C ATOM 476 CG GLU A 44 9.060 1.480 -10.447 1.00 0.00 C ATOM 477 CD GLU A 44 9.524 0.176 -11.100 1.00 0.00 C ATOM 478 OE1 GLU A 44 9.653 -0.806 -10.389 1.00 0.00 O ATOM 479 OE2 GLU A 44 9.740 0.183 -12.300 1.00 0.00 O ATOM 0 H GLU A 44 9.325 3.227 -8.723 1.00 0.00 H new ATOM 0 HA GLU A 44 6.652 2.603 -9.629 1.00 0.00 H new ATOM 0 HB2 GLU A 44 8.881 0.908 -8.368 1.00 0.00 H new ATOM 0 HB3 GLU A 44 7.590 0.300 -9.385 1.00 0.00 H new ATOM 0 HG2 GLU A 44 8.469 2.062 -11.154 1.00 0.00 H new ATOM 0 HG3 GLU A 44 9.922 2.089 -10.175 1.00 0.00 H new ATOM 486 N LEU A 45 7.246 2.199 -6.431 1.00 0.00 N ATOM 487 CA LEU A 45 6.537 2.002 -5.138 1.00 0.00 C ATOM 488 C LEU A 45 5.476 3.085 -4.997 1.00 0.00 C ATOM 489 O LEU A 45 4.330 2.808 -4.733 1.00 0.00 O ATOM 490 CB LEU A 45 7.612 2.156 -4.058 1.00 0.00 C ATOM 491 CG LEU A 45 6.965 2.525 -2.717 1.00 0.00 C ATOM 492 CD1 LEU A 45 6.190 1.327 -2.163 1.00 0.00 C ATOM 493 CD2 LEU A 45 8.057 2.919 -1.729 1.00 0.00 C ATOM 0 H LEU A 45 8.247 2.378 -6.355 1.00 0.00 H new ATOM 0 HA LEU A 45 6.043 1.033 -5.065 1.00 0.00 H new ATOM 0 HB2 LEU A 45 8.172 1.226 -3.957 1.00 0.00 H new ATOM 0 HB3 LEU A 45 8.325 2.927 -4.351 1.00 0.00 H new ATOM 0 HG LEU A 45 6.277 3.358 -2.865 1.00 0.00 H new ATOM 0 HD11 LEU A 45 5.734 1.598 -1.211 1.00 0.00 H new ATOM 0 HD12 LEU A 45 5.412 1.039 -2.869 1.00 0.00 H new ATOM 0 HD13 LEU A 45 6.872 0.490 -2.014 1.00 0.00 H new ATOM 0 HD21 LEU A 45 7.605 3.183 -0.773 1.00 0.00 H new ATOM 0 HD22 LEU A 45 8.740 2.081 -1.588 1.00 0.00 H new ATOM 0 HD23 LEU A 45 8.608 3.775 -2.118 1.00 0.00 H new ATOM 505 N HIS A 46 5.858 4.319 -5.182 1.00 0.00 N ATOM 506 CA HIS A 46 4.872 5.427 -5.070 1.00 0.00 C ATOM 507 C HIS A 46 3.702 5.145 -6.001 1.00 0.00 C ATOM 508 O HIS A 46 2.570 5.442 -5.692 1.00 0.00 O ATOM 509 CB HIS A 46 5.613 6.686 -5.512 1.00 0.00 C ATOM 510 CG HIS A 46 4.857 7.893 -5.030 1.00 0.00 C ATOM 511 ND1 HIS A 46 4.998 8.675 -3.913 1.00 0.00 N flip ATOM 512 CD2 HIS A 46 3.783 8.422 -5.730 1.00 0.00 C flip ATOM 513 CE1 HIS A 46 4.029 9.673 -3.912 1.00 0.00 C flip ATOM 514 NE2 HIS A 46 3.323 9.476 -5.030 1.00 0.00 N flip ATOM 0 H HIS A 46 6.811 4.606 -5.406 1.00 0.00 H new ATOM 0 HA HIS A 46 4.479 5.536 -4.059 1.00 0.00 H new ATOM 0 HB2 HIS A 46 6.625 6.689 -5.107 1.00 0.00 H new ATOM 0 HB3 HIS A 46 5.704 6.708 -6.598 1.00 0.00 H new ATOM 0 HD1 HIS A 46 5.707 8.545 -3.191 1.00 0.00 H new ATOM 0 HD2 HIS A 46 3.388 8.055 -6.666 1.00 0.00 H new ATOM 0 HE1 HIS A 46 3.879 10.442 -3.168 1.00 0.00 H new ATOM 522 N ALA A 47 3.966 4.557 -7.135 1.00 0.00 N ATOM 523 CA ALA A 47 2.859 4.236 -8.074 1.00 0.00 C ATOM 524 C ALA A 47 1.981 3.149 -7.452 1.00 0.00 C ATOM 525 O ALA A 47 0.774 3.149 -7.595 1.00 0.00 O ATOM 526 CB ALA A 47 3.546 3.723 -9.340 1.00 0.00 C ATOM 0 H ALA A 47 4.898 4.286 -7.450 1.00 0.00 H new ATOM 0 HA ALA A 47 2.220 5.092 -8.291 1.00 0.00 H new ATOM 0 HB1 ALA A 47 2.792 3.464 -10.084 1.00 0.00 H new ATOM 0 HB2 ALA A 47 4.199 4.499 -9.740 1.00 0.00 H new ATOM 0 HB3 ALA A 47 4.138 2.839 -9.100 1.00 0.00 H new ATOM 532 N ASP A 48 2.585 2.227 -6.751 1.00 0.00 N ATOM 533 CA ASP A 48 1.798 1.140 -6.101 1.00 0.00 C ATOM 534 C ASP A 48 1.015 1.699 -4.908 1.00 0.00 C ATOM 535 O ASP A 48 -0.044 1.210 -4.564 1.00 0.00 O ATOM 536 CB ASP A 48 2.840 0.126 -5.632 1.00 0.00 C ATOM 537 CG ASP A 48 3.807 -0.175 -6.778 1.00 0.00 C ATOM 538 OD1 ASP A 48 3.342 -0.330 -7.894 1.00 0.00 O ATOM 539 OD2 ASP A 48 4.997 -0.243 -6.520 1.00 0.00 O ATOM 0 H ASP A 48 3.593 2.180 -6.600 1.00 0.00 H new ATOM 0 HA ASP A 48 1.070 0.692 -6.777 1.00 0.00 H new ATOM 0 HB2 ASP A 48 3.386 0.519 -4.774 1.00 0.00 H new ATOM 0 HB3 ASP A 48 2.350 -0.791 -5.305 1.00 0.00 H new ATOM 544 N LEU A 49 1.521 2.727 -4.279 1.00 0.00 N ATOM 545 CA LEU A 49 0.807 3.322 -3.125 1.00 0.00 C ATOM 546 C LEU A 49 -0.321 4.196 -3.636 1.00 0.00 C ATOM 547 O LEU A 49 -1.372 4.274 -3.044 1.00 0.00 O ATOM 548 CB LEU A 49 1.853 4.173 -2.414 1.00 0.00 C ATOM 549 CG LEU A 49 2.984 3.273 -1.937 1.00 0.00 C ATOM 550 CD1 LEU A 49 4.017 4.113 -1.187 1.00 0.00 C ATOM 551 CD2 LEU A 49 2.404 2.202 -1.013 1.00 0.00 C ATOM 0 H LEU A 49 2.403 3.178 -4.521 1.00 0.00 H new ATOM 0 HA LEU A 49 0.374 2.573 -2.462 1.00 0.00 H new ATOM 0 HB2 LEU A 49 2.239 4.937 -3.089 1.00 0.00 H new ATOM 0 HB3 LEU A 49 1.403 4.693 -1.568 1.00 0.00 H new ATOM 0 HG LEU A 49 3.470 2.794 -2.787 1.00 0.00 H new ATOM 0 HD11 LEU A 49 4.828 3.471 -0.844 1.00 0.00 H new ATOM 0 HD12 LEU A 49 4.416 4.878 -1.853 1.00 0.00 H new ATOM 0 HD13 LEU A 49 3.544 4.590 -0.328 1.00 0.00 H new ATOM 0 HD21 LEU A 49 3.205 1.550 -0.664 1.00 0.00 H new ATOM 0 HD22 LEU A 49 1.926 2.679 -0.158 1.00 0.00 H new ATOM 0 HD23 LEU A 49 1.667 1.612 -1.558 1.00 0.00 H new ATOM 563 N LYS A 50 -0.108 4.850 -4.743 1.00 0.00 N ATOM 564 CA LYS A 50 -1.172 5.712 -5.305 1.00 0.00 C ATOM 565 C LYS A 50 -2.304 4.823 -5.798 1.00 0.00 C ATOM 566 O LYS A 50 -3.456 5.043 -5.499 1.00 0.00 O ATOM 567 CB LYS A 50 -0.517 6.464 -6.465 1.00 0.00 C ATOM 568 CG LYS A 50 0.422 7.540 -5.917 1.00 0.00 C ATOM 569 CD LYS A 50 -0.323 8.398 -4.894 1.00 0.00 C ATOM 570 CE LYS A 50 -1.668 8.833 -5.481 1.00 0.00 C ATOM 571 NZ LYS A 50 -1.893 10.204 -4.946 1.00 0.00 N ATOM 0 H LYS A 50 0.759 4.822 -5.280 1.00 0.00 H new ATOM 0 HA LYS A 50 -1.589 6.410 -4.579 1.00 0.00 H new ATOM 0 HB2 LYS A 50 0.039 5.769 -7.094 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -1.282 6.921 -7.093 1.00 0.00 H new ATOM 0 HG2 LYS A 50 1.292 7.076 -5.453 1.00 0.00 H new ATOM 0 HG3 LYS A 50 0.790 8.164 -6.731 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -0.480 7.834 -3.975 1.00 0.00 H new ATOM 0 HD3 LYS A 50 0.273 9.273 -4.633 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -1.642 8.833 -6.571 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -2.468 8.156 -5.181 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -2.797 10.572 -5.304 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -1.919 10.171 -3.907 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -1.120 10.828 -5.253 1.00 0.00 H new ATOM 585 N ILE A 51 -1.978 3.794 -6.528 1.00 0.00 N ATOM 586 CA ILE A 51 -3.035 2.869 -7.004 1.00 0.00 C ATOM 587 C ILE A 51 -3.694 2.225 -5.786 1.00 0.00 C ATOM 588 O ILE A 51 -4.904 2.108 -5.705 1.00 0.00 O ATOM 589 CB ILE A 51 -2.302 1.827 -7.845 1.00 0.00 C ATOM 590 CG1 ILE A 51 -1.750 2.493 -9.109 1.00 0.00 C ATOM 591 CG2 ILE A 51 -3.270 0.712 -8.238 1.00 0.00 C ATOM 592 CD1 ILE A 51 -2.836 3.359 -9.753 1.00 0.00 C ATOM 0 H ILE A 51 -1.028 3.556 -6.813 1.00 0.00 H new ATOM 0 HA ILE A 51 -3.815 3.361 -7.585 1.00 0.00 H new ATOM 0 HB ILE A 51 -1.481 1.404 -7.266 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -0.883 3.105 -8.860 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -1.412 1.733 -9.814 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -2.745 -0.031 -8.838 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -3.664 0.239 -7.339 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -4.092 1.132 -8.818 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -2.439 3.831 -10.652 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -3.690 2.735 -10.017 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -3.153 4.128 -9.049 1.00 0.00 H new ATOM 604 N GLN A 52 -2.903 1.833 -4.820 1.00 0.00 N ATOM 605 CA GLN A 52 -3.483 1.226 -3.595 1.00 0.00 C ATOM 606 C GLN A 52 -4.265 2.292 -2.840 1.00 0.00 C ATOM 607 O GLN A 52 -5.158 1.992 -2.078 1.00 0.00 O ATOM 608 CB GLN A 52 -2.286 0.751 -2.763 1.00 0.00 C ATOM 609 CG GLN A 52 -2.786 0.104 -1.470 1.00 0.00 C ATOM 610 CD GLN A 52 -3.669 -1.097 -1.804 1.00 0.00 C ATOM 611 OE1 GLN A 52 -4.557 -1.498 -0.935 1.00 0.00 O flip ATOM 612 NE2 GLN A 52 -3.551 -1.679 -2.864 1.00 0.00 N flip ATOM 0 H GLN A 52 -1.886 1.908 -4.830 1.00 0.00 H new ATOM 0 HA GLN A 52 -4.161 0.402 -3.815 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -1.694 0.036 -3.334 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -1.634 1.593 -2.532 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -1.940 -0.213 -0.860 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -3.349 0.830 -0.883 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -2.857 -1.366 -3.543 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -4.146 -2.481 -3.075 1.00 0.00 H new ATOM 621 N GLU A 53 -3.943 3.539 -3.059 1.00 0.00 N ATOM 622 CA GLU A 53 -4.678 4.626 -2.364 1.00 0.00 C ATOM 623 C GLU A 53 -6.067 4.765 -2.981 1.00 0.00 C ATOM 624 O GLU A 53 -7.060 4.560 -2.326 1.00 0.00 O ATOM 625 CB GLU A 53 -3.845 5.887 -2.597 1.00 0.00 C ATOM 626 CG GLU A 53 -4.205 6.936 -1.549 1.00 0.00 C ATOM 627 CD GLU A 53 -4.573 8.245 -2.249 1.00 0.00 C ATOM 628 OE1 GLU A 53 -3.666 8.977 -2.607 1.00 0.00 O ATOM 629 OE2 GLU A 53 -5.756 8.493 -2.415 1.00 0.00 O ATOM 0 H GLU A 53 -3.203 3.848 -3.689 1.00 0.00 H new ATOM 0 HA GLU A 53 -4.813 4.435 -1.299 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -2.783 5.650 -2.539 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -4.030 6.278 -3.597 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -5.040 6.588 -0.942 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -3.364 7.095 -0.874 1.00 0.00 H new ATOM 636 N ARG A 54 -6.145 5.082 -4.244 1.00 0.00 N ATOM 637 CA ARG A 54 -7.480 5.202 -4.893 1.00 0.00 C ATOM 638 C ARG A 54 -8.279 3.929 -4.619 1.00 0.00 C ATOM 639 O ARG A 54 -9.472 3.962 -4.394 1.00 0.00 O ATOM 640 CB ARG A 54 -7.193 5.345 -6.388 1.00 0.00 C ATOM 641 CG ARG A 54 -8.421 5.930 -7.089 1.00 0.00 C ATOM 642 CD ARG A 54 -8.015 7.171 -7.884 1.00 0.00 C ATOM 643 NE ARG A 54 -7.082 6.669 -8.930 1.00 0.00 N ATOM 644 CZ ARG A 54 -6.751 7.439 -9.930 1.00 0.00 C ATOM 645 NH1 ARG A 54 -7.675 7.932 -10.707 1.00 0.00 N ATOM 646 NH2 ARG A 54 -5.494 7.711 -10.153 1.00 0.00 N ATOM 0 H ARG A 54 -5.346 5.262 -4.852 1.00 0.00 H new ATOM 0 HA ARG A 54 -8.058 6.047 -4.519 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -6.330 5.992 -6.543 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -6.945 4.374 -6.816 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -8.861 5.187 -7.755 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -9.183 6.190 -6.354 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -8.883 7.656 -8.329 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -7.531 7.909 -7.244 1.00 0.00 H new ATOM 0 HE ARG A 54 -6.702 5.725 -8.865 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -8.656 7.716 -10.533 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -7.416 8.534 -11.489 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -4.773 7.322 -9.546 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -5.233 8.313 -10.934 1.00 0.00 H new ATOM 660 N ASP A 55 -7.615 2.805 -4.629 1.00 0.00 N ATOM 661 CA ASP A 55 -8.312 1.517 -4.364 1.00 0.00 C ATOM 662 C ASP A 55 -8.727 1.435 -2.894 1.00 0.00 C ATOM 663 O ASP A 55 -9.729 0.836 -2.552 1.00 0.00 O ATOM 664 CB ASP A 55 -7.265 0.445 -4.673 1.00 0.00 C ATOM 665 CG ASP A 55 -6.897 0.498 -6.157 1.00 0.00 C ATOM 666 OD1 ASP A 55 -7.697 1.006 -6.926 1.00 0.00 O ATOM 667 OD2 ASP A 55 -5.825 0.030 -6.499 1.00 0.00 O ATOM 0 H ASP A 55 -6.614 2.725 -4.810 1.00 0.00 H new ATOM 0 HA ASP A 55 -9.217 1.403 -4.961 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -6.376 0.604 -4.062 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -7.654 -0.541 -4.420 1.00 0.00 H new ATOM 672 N GLU A 56 -7.950 2.012 -2.019 1.00 0.00 N ATOM 673 CA GLU A 56 -8.283 1.942 -0.568 1.00 0.00 C ATOM 674 C GLU A 56 -9.391 2.924 -0.193 1.00 0.00 C ATOM 675 O GLU A 56 -10.164 2.653 0.687 1.00 0.00 O ATOM 676 CB GLU A 56 -6.992 2.297 0.165 1.00 0.00 C ATOM 677 CG GLU A 56 -6.401 1.041 0.804 1.00 0.00 C ATOM 678 CD GLU A 56 -7.384 0.483 1.832 1.00 0.00 C ATOM 679 OE1 GLU A 56 -7.827 1.247 2.674 1.00 0.00 O ATOM 680 OE2 GLU A 56 -7.681 -0.698 1.761 1.00 0.00 O ATOM 0 H GLU A 56 -7.100 2.528 -2.246 1.00 0.00 H new ATOM 0 HA GLU A 56 -8.652 0.952 -0.302 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -6.276 2.734 -0.531 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -7.191 3.047 0.931 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -6.195 0.293 0.038 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -5.451 1.276 1.284 1.00 0.00 H new ATOM 687 N LEU A 57 -9.495 4.049 -0.841 1.00 0.00 N ATOM 688 CA LEU A 57 -10.588 4.992 -0.477 1.00 0.00 C ATOM 689 C LEU A 57 -11.847 4.533 -1.190 1.00 0.00 C ATOM 690 O LEU A 57 -12.906 4.416 -0.604 1.00 0.00 O ATOM 691 CB LEU A 57 -10.148 6.370 -0.973 1.00 0.00 C ATOM 692 CG LEU A 57 -8.671 6.593 -0.642 1.00 0.00 C ATOM 693 CD1 LEU A 57 -7.923 6.924 -1.928 1.00 0.00 C ATOM 694 CD2 LEU A 57 -8.530 7.753 0.346 1.00 0.00 C ATOM 0 H LEU A 57 -8.881 4.354 -1.596 1.00 0.00 H new ATOM 0 HA LEU A 57 -10.787 5.028 0.594 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -10.304 6.446 -2.049 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -10.756 7.146 -0.507 1.00 0.00 H new ATOM 0 HG LEU A 57 -8.255 5.692 -0.192 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -6.868 7.085 -1.704 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -8.023 6.096 -2.630 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -8.342 7.828 -2.370 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -7.476 7.907 0.578 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -8.941 8.660 -0.097 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -9.073 7.519 1.262 1.00 0.00 H new ATOM 706 N ALA A 58 -11.726 4.229 -2.450 1.00 0.00 N ATOM 707 CA ALA A 58 -12.907 3.730 -3.191 1.00 0.00 C ATOM 708 C ALA A 58 -13.426 2.490 -2.463 1.00 0.00 C ATOM 709 O ALA A 58 -14.611 2.344 -2.189 1.00 0.00 O ATOM 710 CB ALA A 58 -12.388 3.375 -4.585 1.00 0.00 C ATOM 0 H ALA A 58 -10.866 4.305 -2.993 1.00 0.00 H new ATOM 0 HA ALA A 58 -13.721 4.451 -3.257 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -13.209 2.997 -5.194 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -11.968 4.265 -5.054 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -11.616 2.610 -4.502 1.00 0.00 H new ATOM 716 N TRP A 59 -12.537 1.599 -2.111 1.00 0.00 N ATOM 717 CA TRP A 59 -12.977 0.396 -1.376 1.00 0.00 C ATOM 718 C TRP A 59 -13.501 0.816 -0.002 1.00 0.00 C ATOM 719 O TRP A 59 -14.502 0.323 0.466 1.00 0.00 O ATOM 720 CB TRP A 59 -11.741 -0.486 -1.235 1.00 0.00 C ATOM 721 CG TRP A 59 -12.059 -1.560 -0.258 1.00 0.00 C ATOM 722 CD1 TRP A 59 -12.666 -2.729 -0.561 1.00 0.00 C ATOM 723 CD2 TRP A 59 -11.829 -1.568 1.177 1.00 0.00 C ATOM 724 NE1 TRP A 59 -12.825 -3.462 0.597 1.00 0.00 N ATOM 725 CE2 TRP A 59 -12.317 -2.791 1.698 1.00 0.00 C ATOM 726 CE3 TRP A 59 -11.244 -0.645 2.071 1.00 0.00 C ATOM 727 CZ2 TRP A 59 -12.231 -3.088 3.057 1.00 0.00 C ATOM 728 CZ3 TRP A 59 -11.156 -0.943 3.435 1.00 0.00 C ATOM 729 CH2 TRP A 59 -11.647 -2.161 3.927 1.00 0.00 C ATOM 0 H TRP A 59 -11.537 1.658 -2.302 1.00 0.00 H new ATOM 0 HA TRP A 59 -13.776 -0.137 -1.891 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -11.466 -0.915 -2.198 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -10.889 0.102 -0.893 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -12.976 -3.039 -1.548 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -13.262 -4.383 0.638 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -10.863 0.295 1.700 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -12.612 -4.025 3.435 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -10.708 -0.231 4.113 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -11.574 -2.384 4.981 1.00 0.00 H new ATOM 740 N LYS A 60 -12.848 1.745 0.645 1.00 0.00 N ATOM 741 CA LYS A 60 -13.354 2.190 1.971 1.00 0.00 C ATOM 742 C LYS A 60 -14.823 2.541 1.802 1.00 0.00 C ATOM 743 O LYS A 60 -15.638 2.296 2.668 1.00 0.00 O ATOM 744 CB LYS A 60 -12.527 3.417 2.355 1.00 0.00 C ATOM 745 CG LYS A 60 -11.191 2.957 2.934 1.00 0.00 C ATOM 746 CD LYS A 60 -11.303 2.807 4.445 1.00 0.00 C ATOM 747 CE LYS A 60 -10.772 4.071 5.124 1.00 0.00 C ATOM 748 NZ LYS A 60 -10.373 3.636 6.492 1.00 0.00 N ATOM 0 H LYS A 60 -12.000 2.207 0.317 1.00 0.00 H new ATOM 0 HA LYS A 60 -13.266 1.431 2.748 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -12.361 4.047 1.481 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -13.066 4.020 3.086 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -10.899 2.007 2.487 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -10.411 3.678 2.689 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -12.342 2.638 4.728 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -10.737 1.937 4.778 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -9.924 4.485 4.579 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -11.536 4.848 5.164 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -9.998 4.450 7.020 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -11.202 3.253 6.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -9.640 2.901 6.423 1.00 0.00 H new ATOM 762 N LYS A 61 -15.174 3.065 0.659 1.00 0.00 N ATOM 763 CA LYS A 61 -16.602 3.370 0.405 1.00 0.00 C ATOM 764 C LYS A 61 -17.330 2.035 0.345 1.00 0.00 C ATOM 765 O LYS A 61 -18.381 1.847 0.930 1.00 0.00 O ATOM 766 CB LYS A 61 -16.636 4.073 -0.952 1.00 0.00 C ATOM 767 CG LYS A 61 -17.581 5.273 -0.882 1.00 0.00 C ATOM 768 CD LYS A 61 -18.033 5.653 -2.293 1.00 0.00 C ATOM 769 CE LYS A 61 -19.148 4.706 -2.746 1.00 0.00 C ATOM 770 NZ LYS A 61 -20.402 5.304 -2.211 1.00 0.00 N ATOM 0 H LYS A 61 -14.535 3.292 -0.103 1.00 0.00 H new ATOM 0 HA LYS A 61 -17.068 3.997 1.165 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -15.634 4.401 -1.228 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -16.969 3.379 -1.724 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -18.446 5.032 -0.265 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -17.078 6.117 -0.410 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -18.389 6.683 -2.307 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -17.191 5.597 -2.983 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -19.181 4.626 -3.833 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -18.993 3.700 -2.357 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -21.114 4.557 -2.079 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -20.206 5.761 -1.298 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -20.763 6.012 -2.882 1.00 0.00 H new ATOM 784 N LEU A 62 -16.745 1.090 -0.345 1.00 0.00 N ATOM 785 CA LEU A 62 -17.365 -0.264 -0.433 1.00 0.00 C ATOM 786 C LEU A 62 -17.635 -0.812 0.974 1.00 0.00 C ATOM 787 O LEU A 62 -18.765 -0.922 1.403 1.00 0.00 O ATOM 788 CB LEU A 62 -16.319 -1.129 -1.131 1.00 0.00 C ATOM 789 CG LEU A 62 -16.769 -1.446 -2.549 1.00 0.00 C ATOM 790 CD1 LEU A 62 -15.920 -0.647 -3.538 1.00 0.00 C ATOM 791 CD2 LEU A 62 -16.591 -2.944 -2.804 1.00 0.00 C ATOM 0 H LEU A 62 -15.866 1.198 -0.850 1.00 0.00 H new ATOM 0 HA LEU A 62 -18.315 -0.247 -0.966 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -15.361 -0.610 -1.152 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -16.168 -2.053 -0.573 1.00 0.00 H new ATOM 0 HG LEU A 62 -17.817 -1.177 -2.678 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -16.239 -0.871 -4.556 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -16.044 0.419 -3.345 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -14.871 -0.918 -3.419 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -16.911 -3.181 -3.819 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -15.541 -3.211 -2.683 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -17.194 -3.508 -2.092 1.00 0.00 H new ATOM 803 N LYS A 63 -16.598 -1.161 1.694 1.00 0.00 N ATOM 804 CA LYS A 63 -16.782 -1.702 3.070 1.00 0.00 C ATOM 805 C LYS A 63 -17.820 -0.870 3.823 1.00 0.00 C ATOM 806 O LYS A 63 -18.783 -1.394 4.345 1.00 0.00 O ATOM 807 CB LYS A 63 -15.404 -1.578 3.721 1.00 0.00 C ATOM 808 CG LYS A 63 -15.339 -2.458 4.971 1.00 0.00 C ATOM 809 CD LYS A 63 -15.803 -1.656 6.188 1.00 0.00 C ATOM 810 CE LYS A 63 -14.836 -1.889 7.351 1.00 0.00 C ATOM 811 NZ LYS A 63 -14.982 -0.687 8.221 1.00 0.00 N ATOM 0 H LYS A 63 -15.629 -1.093 1.384 1.00 0.00 H new ATOM 0 HA LYS A 63 -17.142 -2.731 3.075 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -14.630 -1.877 3.014 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -15.209 -0.539 3.986 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -15.969 -3.338 4.841 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -14.320 -2.814 5.125 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -15.845 -0.595 5.943 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -16.811 -1.958 6.473 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -15.084 -2.801 7.894 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -13.811 -1.997 6.996 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -14.349 -0.773 9.042 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -14.733 0.166 7.680 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -15.966 -0.613 8.549 1.00 0.00 H new ATOM 825 N LEU A 64 -17.640 0.424 3.875 1.00 0.00 N ATOM 826 CA LEU A 64 -18.634 1.276 4.587 1.00 0.00 C ATOM 827 C LEU A 64 -20.045 0.834 4.195 1.00 0.00 C ATOM 828 O LEU A 64 -20.908 0.657 5.032 1.00 0.00 O ATOM 829 CB LEU A 64 -18.357 2.701 4.105 1.00 0.00 C ATOM 830 CG LEU A 64 -17.232 3.314 4.942 1.00 0.00 C ATOM 831 CD1 LEU A 64 -16.506 4.383 4.122 1.00 0.00 C ATOM 832 CD2 LEU A 64 -17.827 3.955 6.198 1.00 0.00 C ATOM 0 H LEU A 64 -16.854 0.923 3.459 1.00 0.00 H new ATOM 0 HA LEU A 64 -18.557 1.203 5.672 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -18.077 2.692 3.052 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -19.259 3.307 4.190 1.00 0.00 H new ATOM 0 HG LEU A 64 -16.526 2.534 5.227 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -15.705 4.818 4.720 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -16.084 3.929 3.225 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -17.211 5.164 3.836 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -17.028 4.393 6.797 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -18.533 4.734 5.909 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -18.345 3.195 6.784 1.00 0.00 H new ATOM 844 N ASP A 65 -20.278 0.644 2.925 1.00 0.00 N ATOM 845 CA ASP A 65 -21.625 0.198 2.467 1.00 0.00 C ATOM 846 C ASP A 65 -21.886 -1.238 2.939 1.00 0.00 C ATOM 847 O ASP A 65 -22.696 -1.476 3.813 1.00 0.00 O ATOM 848 CB ASP A 65 -21.565 0.256 0.940 1.00 0.00 C ATOM 849 CG ASP A 65 -22.217 1.550 0.449 1.00 0.00 C ATOM 850 OD1 ASP A 65 -21.517 2.546 0.357 1.00 0.00 O ATOM 851 OD2 ASP A 65 -23.405 1.524 0.172 1.00 0.00 O ATOM 0 H ASP A 65 -19.592 0.779 2.183 1.00 0.00 H new ATOM 0 HA ASP A 65 -22.427 0.820 2.865 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -20.529 0.209 0.605 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -22.077 -0.606 0.513 1.00 0.00 H new ATOM 856 N GLY A 66 -21.200 -2.197 2.373 1.00 0.00 N ATOM 857 CA GLY A 66 -21.409 -3.612 2.799 1.00 0.00 C ATOM 858 C GLY A 66 -21.002 -4.563 1.669 1.00 0.00 C ATOM 859 O GLY A 66 -21.764 -5.419 1.263 1.00 0.00 O ATOM 0 H GLY A 66 -20.507 -2.062 1.637 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -20.821 -3.822 3.692 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -22.455 -3.771 3.061 1.00 0.00 H new ATOM 863 N LEU A 67 -19.808 -4.427 1.158 1.00 0.00 N ATOM 864 CA LEU A 67 -19.362 -5.328 0.057 1.00 0.00 C ATOM 865 C LEU A 67 -18.182 -6.182 0.511 1.00 0.00 C ATOM 866 O LEU A 67 -18.054 -7.333 0.142 1.00 0.00 O ATOM 867 CB LEU A 67 -18.919 -4.394 -1.063 1.00 0.00 C ATOM 868 CG LEU A 67 -20.122 -3.596 -1.565 1.00 0.00 C ATOM 869 CD1 LEU A 67 -19.725 -2.132 -1.736 1.00 0.00 C ATOM 870 CD2 LEU A 67 -20.581 -4.164 -2.911 1.00 0.00 C ATOM 0 H LEU A 67 -19.123 -3.732 1.455 1.00 0.00 H new ATOM 0 HA LEU A 67 -20.154 -6.009 -0.255 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -18.145 -3.717 -0.702 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -18.484 -4.969 -1.880 1.00 0.00 H new ATOM 0 HG LEU A 67 -20.936 -3.668 -0.844 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -20.582 -1.562 -2.094 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -19.396 -1.730 -0.778 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -18.912 -2.057 -2.459 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -21.439 -3.597 -3.272 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -19.768 -4.091 -3.633 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -20.863 -5.210 -2.787 1.00 0.00 H new ATOM 882 N ASP A 68 -17.306 -5.620 1.297 1.00 0.00 N ATOM 883 CA ASP A 68 -16.125 -6.394 1.760 1.00 0.00 C ATOM 884 C ASP A 68 -16.568 -7.492 2.730 1.00 0.00 C ATOM 885 O ASP A 68 -15.778 -8.307 3.161 1.00 0.00 O ATOM 886 CB ASP A 68 -15.213 -5.352 2.431 1.00 0.00 C ATOM 887 CG ASP A 68 -14.956 -5.698 3.906 1.00 0.00 C ATOM 888 OD1 ASP A 68 -15.824 -5.424 4.718 1.00 0.00 O ATOM 889 OD2 ASP A 68 -13.897 -6.231 4.193 1.00 0.00 O ATOM 0 H ASP A 68 -17.358 -4.660 1.637 1.00 0.00 H new ATOM 0 HA ASP A 68 -15.602 -6.906 0.952 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -14.264 -5.300 1.897 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -15.672 -4.366 2.362 1.00 0.00 H new ATOM 894 N GLU A 69 -17.825 -7.520 3.073 1.00 0.00 N ATOM 895 CA GLU A 69 -18.314 -8.566 4.009 1.00 0.00 C ATOM 896 C GLU A 69 -17.850 -9.950 3.540 1.00 0.00 C ATOM 897 O GLU A 69 -17.836 -10.898 4.300 1.00 0.00 O ATOM 898 CB GLU A 69 -19.839 -8.467 3.957 1.00 0.00 C ATOM 899 CG GLU A 69 -20.292 -7.155 4.599 1.00 0.00 C ATOM 900 CD GLU A 69 -21.800 -6.988 4.406 1.00 0.00 C ATOM 901 OE1 GLU A 69 -22.229 -6.926 3.266 1.00 0.00 O ATOM 902 OE2 GLU A 69 -22.502 -6.927 5.403 1.00 0.00 O ATOM 0 H GLU A 69 -18.534 -6.864 2.745 1.00 0.00 H new ATOM 0 HA GLU A 69 -17.933 -8.426 5.020 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -20.181 -8.514 2.923 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -20.286 -9.312 4.480 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -20.048 -7.154 5.661 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -19.762 -6.315 4.150 1.00 0.00 H new ATOM 909 N ASP A 70 -17.472 -10.075 2.295 1.00 0.00 N ATOM 910 CA ASP A 70 -17.015 -11.400 1.785 1.00 0.00 C ATOM 911 C ASP A 70 -15.489 -11.500 1.852 1.00 0.00 C ATOM 912 O ASP A 70 -14.937 -12.556 2.097 1.00 0.00 O ATOM 913 CB ASP A 70 -17.489 -11.452 0.333 1.00 0.00 C ATOM 914 CG ASP A 70 -17.071 -12.785 -0.290 1.00 0.00 C ATOM 915 OD1 ASP A 70 -16.587 -13.632 0.442 1.00 0.00 O ATOM 916 OD2 ASP A 70 -17.243 -12.937 -1.489 1.00 0.00 O ATOM 0 H ASP A 70 -17.460 -9.318 1.611 1.00 0.00 H new ATOM 0 HA ASP A 70 -17.413 -12.225 2.375 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -18.572 -11.341 0.288 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -17.060 -10.624 -0.231 1.00 0.00 H new ATOM 921 N GLY A 71 -14.803 -10.412 1.636 1.00 0.00 N ATOM 922 CA GLY A 71 -13.314 -10.449 1.688 1.00 0.00 C ATOM 923 C GLY A 71 -12.756 -10.542 0.267 1.00 0.00 C ATOM 924 O GLY A 71 -11.647 -10.988 0.054 1.00 0.00 O ATOM 0 H GLY A 71 -15.208 -9.500 1.426 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -12.934 -9.554 2.181 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -12.981 -11.303 2.277 1.00 0.00 H new ATOM 928 N GLU A 72 -13.516 -10.120 -0.708 1.00 0.00 N ATOM 929 CA GLU A 72 -13.028 -10.179 -2.117 1.00 0.00 C ATOM 930 C GLU A 72 -12.391 -8.840 -2.503 1.00 0.00 C ATOM 931 O GLU A 72 -11.197 -8.745 -2.701 1.00 0.00 O ATOM 932 CB GLU A 72 -14.278 -10.448 -2.957 1.00 0.00 C ATOM 933 CG GLU A 72 -14.712 -11.905 -2.777 1.00 0.00 C ATOM 934 CD GLU A 72 -13.848 -12.807 -3.660 1.00 0.00 C ATOM 935 OE1 GLU A 72 -13.553 -12.404 -4.774 1.00 0.00 O ATOM 936 OE2 GLU A 72 -13.497 -13.884 -3.209 1.00 0.00 O ATOM 0 H GLU A 72 -14.454 -9.737 -0.590 1.00 0.00 H new ATOM 0 HA GLU A 72 -12.269 -10.947 -2.266 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -15.083 -9.778 -2.655 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -14.073 -10.246 -4.008 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -14.613 -12.199 -1.732 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -15.763 -12.018 -3.042 1.00 0.00 H new ATOM 943 N LYS A 73 -13.178 -7.804 -2.604 1.00 0.00 N ATOM 944 CA LYS A 73 -12.609 -6.474 -2.965 1.00 0.00 C ATOM 945 C LYS A 73 -11.454 -6.131 -2.025 1.00 0.00 C ATOM 946 O LYS A 73 -10.346 -5.881 -2.456 1.00 0.00 O ATOM 947 CB LYS A 73 -13.752 -5.458 -2.811 1.00 0.00 C ATOM 948 CG LYS A 73 -14.633 -5.786 -1.598 1.00 0.00 C ATOM 949 CD LYS A 73 -16.092 -5.922 -2.051 1.00 0.00 C ATOM 950 CE LYS A 73 -16.371 -7.355 -2.512 1.00 0.00 C ATOM 951 NZ LYS A 73 -17.790 -7.344 -2.966 1.00 0.00 N ATOM 0 H LYS A 73 -14.187 -7.820 -2.453 1.00 0.00 H new ATOM 0 HA LYS A 73 -12.217 -6.467 -3.982 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -13.338 -4.456 -2.701 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -14.361 -5.454 -3.715 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -14.298 -6.712 -1.131 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -14.545 -5.000 -0.848 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -16.761 -5.659 -1.231 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -16.295 -5.225 -2.864 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -15.700 -7.647 -3.320 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -16.222 -8.067 -1.700 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -17.983 -8.200 -3.524 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -18.419 -7.322 -2.138 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -17.960 -6.502 -3.553 1.00 0.00 H new ATOM 965 N GLU A 74 -11.696 -6.127 -0.743 1.00 0.00 N ATOM 966 CA GLU A 74 -10.600 -5.809 0.215 1.00 0.00 C ATOM 967 C GLU A 74 -9.427 -6.767 -0.008 1.00 0.00 C ATOM 968 O GLU A 74 -8.292 -6.457 0.295 1.00 0.00 O ATOM 969 CB GLU A 74 -11.209 -6.014 1.602 1.00 0.00 C ATOM 970 CG GLU A 74 -10.090 -6.117 2.641 1.00 0.00 C ATOM 971 CD GLU A 74 -10.695 -6.106 4.045 1.00 0.00 C ATOM 972 OE1 GLU A 74 -10.990 -5.028 4.532 1.00 0.00 O ATOM 973 OE2 GLU A 74 -10.854 -7.175 4.609 1.00 0.00 O ATOM 0 H GLU A 74 -12.601 -6.329 -0.319 1.00 0.00 H new ATOM 0 HA GLU A 74 -10.217 -4.796 0.091 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -11.871 -5.183 1.846 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -11.816 -6.920 1.614 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -9.519 -7.033 2.487 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -9.395 -5.285 2.526 1.00 0.00 H new ATOM 980 N ALA A 75 -9.694 -7.927 -0.544 1.00 0.00 N ATOM 981 CA ALA A 75 -8.596 -8.902 -0.794 1.00 0.00 C ATOM 982 C ALA A 75 -7.607 -8.316 -1.802 1.00 0.00 C ATOM 983 O ALA A 75 -6.407 -8.420 -1.641 1.00 0.00 O ATOM 984 CB ALA A 75 -9.284 -10.138 -1.377 1.00 0.00 C ATOM 0 H ALA A 75 -10.625 -8.241 -0.819 1.00 0.00 H new ATOM 0 HA ALA A 75 -8.036 -9.140 0.110 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -8.538 -10.904 -1.588 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -10.007 -10.524 -0.659 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -9.798 -9.867 -2.300 1.00 0.00 H new ATOM 990 N ARG A 76 -8.102 -7.694 -2.836 1.00 0.00 N ATOM 991 CA ARG A 76 -7.188 -7.095 -3.846 1.00 0.00 C ATOM 992 C ARG A 76 -6.269 -6.080 -3.168 1.00 0.00 C ATOM 993 O ARG A 76 -5.128 -5.909 -3.550 1.00 0.00 O ATOM 994 CB ARG A 76 -8.101 -6.406 -4.859 1.00 0.00 C ATOM 995 CG ARG A 76 -7.254 -5.813 -5.987 1.00 0.00 C ATOM 996 CD ARG A 76 -7.779 -4.420 -6.342 1.00 0.00 C ATOM 997 NE ARG A 76 -7.344 -4.192 -7.747 1.00 0.00 N ATOM 998 CZ ARG A 76 -8.015 -4.722 -8.733 1.00 0.00 C ATOM 999 NH1 ARG A 76 -9.055 -4.103 -9.222 1.00 0.00 N ATOM 1000 NH2 ARG A 76 -7.649 -5.872 -9.228 1.00 0.00 N ATOM 0 H ARG A 76 -9.097 -7.575 -3.024 1.00 0.00 H new ATOM 0 HA ARG A 76 -6.551 -7.839 -4.325 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -8.817 -7.121 -5.264 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -8.677 -5.620 -4.370 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -6.210 -5.752 -5.679 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -7.291 -6.461 -6.863 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -8.864 -4.372 -6.252 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -7.370 -3.662 -5.674 1.00 0.00 H new ATOM 0 HE ARG A 76 -6.521 -3.621 -7.939 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -9.343 -3.205 -8.834 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -9.579 -4.517 -9.993 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -6.838 -6.357 -8.844 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -8.174 -6.286 -9.999 1.00 0.00 H new ATOM 1014 N LEU A 77 -6.753 -5.412 -2.155 1.00 0.00 N ATOM 1015 CA LEU A 77 -5.896 -4.421 -1.446 1.00 0.00 C ATOM 1016 C LEU A 77 -4.809 -5.160 -0.670 1.00 0.00 C ATOM 1017 O LEU A 77 -3.675 -4.730 -0.595 1.00 0.00 O ATOM 1018 CB LEU A 77 -6.833 -3.686 -0.480 1.00 0.00 C ATOM 1019 CG LEU A 77 -7.849 -2.867 -1.274 1.00 0.00 C ATOM 1020 CD1 LEU A 77 -8.983 -2.407 -0.351 1.00 0.00 C ATOM 1021 CD2 LEU A 77 -7.164 -1.644 -1.877 1.00 0.00 C ATOM 0 H LEU A 77 -7.700 -5.510 -1.790 1.00 0.00 H new ATOM 0 HA LEU A 77 -5.406 -3.729 -2.131 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -7.349 -4.403 0.159 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -6.257 -3.033 0.175 1.00 0.00 H new ATOM 0 HG LEU A 77 -8.259 -3.487 -2.071 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -9.704 -1.823 -0.923 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -9.479 -3.278 0.077 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -8.573 -1.792 0.450 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -7.891 -1.062 -2.443 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -6.749 -1.029 -1.079 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -6.362 -1.967 -2.541 1.00 0.00 H new ATOM 1033 N ILE A 78 -5.156 -6.275 -0.097 1.00 0.00 N ATOM 1034 CA ILE A 78 -4.160 -7.068 0.679 1.00 0.00 C ATOM 1035 C ILE A 78 -3.087 -7.633 -0.257 1.00 0.00 C ATOM 1036 O ILE A 78 -1.928 -7.721 0.096 1.00 0.00 O ATOM 1037 CB ILE A 78 -4.968 -8.200 1.314 1.00 0.00 C ATOM 1038 CG1 ILE A 78 -5.986 -7.611 2.295 1.00 0.00 C ATOM 1039 CG2 ILE A 78 -4.025 -9.142 2.063 1.00 0.00 C ATOM 1040 CD1 ILE A 78 -7.183 -8.555 2.417 1.00 0.00 C ATOM 0 H ILE A 78 -6.093 -6.676 -0.132 1.00 0.00 H new ATOM 0 HA ILE A 78 -3.643 -6.466 1.426 1.00 0.00 H new ATOM 0 HB ILE A 78 -5.491 -8.754 0.535 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -5.524 -7.465 3.271 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -6.316 -6.631 1.949 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -4.601 -9.949 2.516 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -3.300 -9.561 1.366 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -3.501 -8.589 2.842 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -7.907 -8.136 3.115 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -7.650 -8.678 1.440 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -6.846 -9.525 2.783 1.00 0.00 H new ATOM 1052 N ARG A 79 -3.462 -8.022 -1.446 1.00 0.00 N ATOM 1053 CA ARG A 79 -2.458 -8.585 -2.397 1.00 0.00 C ATOM 1054 C ARG A 79 -1.584 -7.467 -2.969 1.00 0.00 C ATOM 1055 O ARG A 79 -0.386 -7.608 -3.077 1.00 0.00 O ATOM 1056 CB ARG A 79 -3.280 -9.246 -3.505 1.00 0.00 C ATOM 1057 CG ARG A 79 -3.503 -10.723 -3.170 1.00 0.00 C ATOM 1058 CD ARG A 79 -3.181 -11.579 -4.397 1.00 0.00 C ATOM 1059 NE ARG A 79 -4.190 -12.674 -4.379 1.00 0.00 N ATOM 1060 CZ ARG A 79 -5.100 -12.738 -5.314 1.00 0.00 C ATOM 1061 NH1 ARG A 79 -4.766 -12.559 -6.562 1.00 0.00 N ATOM 1062 NH2 ARG A 79 -6.344 -12.981 -5.000 1.00 0.00 N ATOM 0 H ARG A 79 -4.417 -7.975 -1.800 1.00 0.00 H new ATOM 0 HA ARG A 79 -1.787 -9.295 -1.913 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -4.239 -8.739 -3.612 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -2.762 -9.154 -4.460 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -2.870 -11.016 -2.332 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -4.536 -10.885 -2.861 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -3.249 -10.995 -5.315 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -2.167 -11.976 -4.346 1.00 0.00 H new ATOM 0 HE ARG A 79 -4.171 -13.374 -3.637 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -3.794 -12.369 -6.808 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -5.476 -12.609 -7.292 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -6.606 -13.121 -4.024 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -7.054 -13.031 -5.731 1.00 0.00 H new ATOM 1076 N ASN A 80 -2.167 -6.355 -3.324 1.00 0.00 N ATOM 1077 CA ASN A 80 -1.346 -5.236 -3.865 1.00 0.00 C ATOM 1078 C ASN A 80 -0.368 -4.784 -2.784 1.00 0.00 C ATOM 1079 O ASN A 80 0.803 -4.568 -3.030 1.00 0.00 O ATOM 1080 CB ASN A 80 -2.345 -4.126 -4.192 1.00 0.00 C ATOM 1081 CG ASN A 80 -2.505 -4.014 -5.707 1.00 0.00 C ATOM 1082 OD1 ASN A 80 -2.227 -4.948 -6.433 1.00 0.00 O ATOM 1083 ND2 ASN A 80 -2.943 -2.897 -6.220 1.00 0.00 N ATOM 0 H ASN A 80 -3.169 -6.174 -3.264 1.00 0.00 H new ATOM 0 HA ASN A 80 -0.767 -5.514 -4.746 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -3.308 -4.341 -3.729 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -1.998 -3.178 -3.781 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -3.052 -2.808 -7.230 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -3.176 -2.113 -5.611 1.00 0.00 H new ATOM 1090 N LEU A 81 -0.841 -4.664 -1.574 1.00 0.00 N ATOM 1091 CA LEU A 81 0.063 -4.258 -0.471 1.00 0.00 C ATOM 1092 C LEU A 81 1.170 -5.299 -0.344 1.00 0.00 C ATOM 1093 O LEU A 81 2.323 -5.005 -0.527 1.00 0.00 O ATOM 1094 CB LEU A 81 -0.811 -4.238 0.784 1.00 0.00 C ATOM 1095 CG LEU A 81 -0.500 -2.986 1.606 1.00 0.00 C ATOM 1096 CD1 LEU A 81 0.926 -3.077 2.157 1.00 0.00 C ATOM 1097 CD2 LEU A 81 -0.623 -1.745 0.716 1.00 0.00 C ATOM 0 H LEU A 81 -1.811 -4.830 -1.306 1.00 0.00 H new ATOM 0 HA LEU A 81 0.531 -3.288 -0.636 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -1.865 -4.250 0.506 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -0.629 -5.132 1.381 1.00 0.00 H new ATOM 0 HG LEU A 81 -1.206 -2.912 2.433 1.00 0.00 H new ATOM 0 HD11 LEU A 81 1.147 -2.185 2.743 1.00 0.00 H new ATOM 0 HD12 LEU A 81 1.015 -3.959 2.791 1.00 0.00 H new ATOM 0 HD13 LEU A 81 1.632 -3.152 1.330 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -0.401 -0.853 1.302 1.00 0.00 H new ATOM 0 HD22 LEU A 81 0.082 -1.820 -0.112 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -1.638 -1.678 0.323 1.00 0.00 H new ATOM 1109 N ASN A 82 0.821 -6.522 -0.058 1.00 0.00 N ATOM 1110 CA ASN A 82 1.856 -7.587 0.057 1.00 0.00 C ATOM 1111 C ASN A 82 2.839 -7.494 -1.113 1.00 0.00 C ATOM 1112 O ASN A 82 4.025 -7.720 -0.963 1.00 0.00 O ATOM 1113 CB ASN A 82 1.064 -8.892 -0.007 1.00 0.00 C ATOM 1114 CG ASN A 82 0.901 -9.466 1.402 1.00 0.00 C ATOM 1115 OD1 ASN A 82 1.849 -9.526 2.160 1.00 0.00 O ATOM 1116 ND2 ASN A 82 -0.270 -9.894 1.786 1.00 0.00 N ATOM 0 H ASN A 82 -0.138 -6.831 0.101 1.00 0.00 H new ATOM 0 HA ASN A 82 2.446 -7.506 0.970 1.00 0.00 H new ATOM 0 HB2 ASN A 82 0.085 -8.713 -0.453 1.00 0.00 H new ATOM 0 HB3 ASN A 82 1.579 -9.610 -0.645 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -0.390 -10.279 2.723 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -1.065 -9.843 1.149 1.00 0.00 H new ATOM 1123 N VAL A 83 2.356 -7.155 -2.276 1.00 0.00 N ATOM 1124 CA VAL A 83 3.256 -7.037 -3.456 1.00 0.00 C ATOM 1125 C VAL A 83 4.260 -5.912 -3.216 1.00 0.00 C ATOM 1126 O VAL A 83 5.448 -6.069 -3.418 1.00 0.00 O ATOM 1127 CB VAL A 83 2.319 -6.714 -4.622 1.00 0.00 C ATOM 1128 CG1 VAL A 83 3.104 -6.077 -5.770 1.00 0.00 C ATOM 1129 CG2 VAL A 83 1.664 -8.008 -5.111 1.00 0.00 C ATOM 0 H VAL A 83 1.373 -6.954 -2.460 1.00 0.00 H new ATOM 0 HA VAL A 83 3.837 -7.939 -3.651 1.00 0.00 H new ATOM 0 HB VAL A 83 1.555 -6.013 -4.285 1.00 0.00 H new ATOM 0 HG11 VAL A 83 2.426 -5.852 -6.593 1.00 0.00 H new ATOM 0 HG12 VAL A 83 3.572 -5.156 -5.423 1.00 0.00 H new ATOM 0 HG13 VAL A 83 3.874 -6.769 -6.112 1.00 0.00 H new ATOM 0 HG21 VAL A 83 0.995 -7.786 -5.942 1.00 0.00 H new ATOM 0 HG22 VAL A 83 2.435 -8.704 -5.442 1.00 0.00 H new ATOM 0 HG23 VAL A 83 1.095 -8.458 -4.297 1.00 0.00 H new ATOM 1139 N ILE A 84 3.792 -4.784 -2.757 1.00 0.00 N ATOM 1140 CA ILE A 84 4.719 -3.653 -2.472 1.00 0.00 C ATOM 1141 C ILE A 84 5.646 -4.065 -1.324 1.00 0.00 C ATOM 1142 O ILE A 84 6.851 -4.027 -1.442 1.00 0.00 O ATOM 1143 CB ILE A 84 3.796 -2.499 -2.067 1.00 0.00 C ATOM 1144 CG1 ILE A 84 2.986 -2.052 -3.290 1.00 0.00 C ATOM 1145 CG2 ILE A 84 4.621 -1.321 -1.543 1.00 0.00 C ATOM 1146 CD1 ILE A 84 1.651 -1.454 -2.835 1.00 0.00 C ATOM 0 H ILE A 84 2.808 -4.597 -2.567 1.00 0.00 H new ATOM 0 HA ILE A 84 5.353 -3.372 -3.313 1.00 0.00 H new ATOM 0 HB ILE A 84 3.124 -2.837 -1.278 1.00 0.00 H new ATOM 0 HG12 ILE A 84 3.550 -1.315 -3.862 1.00 0.00 H new ATOM 0 HG13 ILE A 84 2.809 -2.901 -3.951 1.00 0.00 H new ATOM 0 HG21 ILE A 84 3.954 -0.507 -1.259 1.00 0.00 H new ATOM 0 HG22 ILE A 84 5.197 -1.638 -0.674 1.00 0.00 H new ATOM 0 HG23 ILE A 84 5.300 -0.977 -2.323 1.00 0.00 H new ATOM 0 HD11 ILE A 84 1.078 -1.137 -3.707 1.00 0.00 H new ATOM 0 HD12 ILE A 84 1.086 -2.204 -2.282 1.00 0.00 H new ATOM 0 HD13 ILE A 84 1.838 -0.594 -2.192 1.00 0.00 H new ATOM 1158 N LEU A 85 5.084 -4.486 -0.226 1.00 0.00 N ATOM 1159 CA LEU A 85 5.910 -4.935 0.927 1.00 0.00 C ATOM 1160 C LEU A 85 6.819 -6.080 0.486 1.00 0.00 C ATOM 1161 O LEU A 85 7.812 -6.379 1.117 1.00 0.00 O ATOM 1162 CB LEU A 85 4.890 -5.424 1.956 1.00 0.00 C ATOM 1163 CG LEU A 85 4.023 -4.249 2.403 1.00 0.00 C ATOM 1164 CD1 LEU A 85 3.203 -4.652 3.629 1.00 0.00 C ATOM 1165 CD2 LEU A 85 4.919 -3.062 2.754 1.00 0.00 C ATOM 0 H LEU A 85 4.076 -4.538 -0.077 1.00 0.00 H new ATOM 0 HA LEU A 85 6.551 -4.150 1.327 1.00 0.00 H new ATOM 0 HB2 LEU A 85 4.267 -6.207 1.524 1.00 0.00 H new ATOM 0 HB3 LEU A 85 5.402 -5.861 2.814 1.00 0.00 H new ATOM 0 HG LEU A 85 3.347 -3.969 1.595 1.00 0.00 H new ATOM 0 HD11 LEU A 85 2.585 -3.812 3.946 1.00 0.00 H new ATOM 0 HD12 LEU A 85 2.563 -5.498 3.377 1.00 0.00 H new ATOM 0 HD13 LEU A 85 3.875 -4.934 4.439 1.00 0.00 H new ATOM 0 HD21 LEU A 85 4.302 -2.222 3.073 1.00 0.00 H new ATOM 0 HD22 LEU A 85 5.595 -3.343 3.561 1.00 0.00 H new ATOM 0 HD23 LEU A 85 5.500 -2.773 1.878 1.00 0.00 H new ATOM 1177 N ALA A 86 6.483 -6.720 -0.600 1.00 0.00 N ATOM 1178 CA ALA A 86 7.328 -7.842 -1.100 1.00 0.00 C ATOM 1179 C ALA A 86 8.433 -7.284 -1.997 1.00 0.00 C ATOM 1180 O ALA A 86 9.510 -7.839 -2.106 1.00 0.00 O ATOM 1181 CB ALA A 86 6.377 -8.719 -1.911 1.00 0.00 C ATOM 0 H ALA A 86 5.658 -6.514 -1.164 1.00 0.00 H new ATOM 0 HA ALA A 86 7.808 -8.400 -0.296 1.00 0.00 H new ATOM 0 HB1 ALA A 86 6.923 -9.571 -2.316 1.00 0.00 H new ATOM 0 HB2 ALA A 86 5.573 -9.076 -1.267 1.00 0.00 H new ATOM 0 HB3 ALA A 86 5.955 -8.137 -2.730 1.00 0.00 H new ATOM 1187 N LYS A 87 8.161 -6.185 -2.639 1.00 0.00 N ATOM 1188 CA LYS A 87 9.169 -5.559 -3.539 1.00 0.00 C ATOM 1189 C LYS A 87 10.049 -4.588 -2.755 1.00 0.00 C ATOM 1190 O LYS A 87 11.066 -4.129 -3.232 1.00 0.00 O ATOM 1191 CB LYS A 87 8.338 -4.780 -4.552 1.00 0.00 C ATOM 1192 CG LYS A 87 9.245 -4.261 -5.665 1.00 0.00 C ATOM 1193 CD LYS A 87 8.410 -3.500 -6.695 1.00 0.00 C ATOM 1194 CE LYS A 87 8.539 -4.175 -8.061 1.00 0.00 C ATOM 1195 NZ LYS A 87 7.138 -4.338 -8.541 1.00 0.00 N ATOM 0 H LYS A 87 7.273 -5.687 -2.579 1.00 0.00 H new ATOM 0 HA LYS A 87 9.825 -6.297 -4.000 1.00 0.00 H new ATOM 0 HB2 LYS A 87 7.562 -5.420 -4.970 1.00 0.00 H new ATOM 0 HB3 LYS A 87 7.834 -3.947 -4.061 1.00 0.00 H new ATOM 0 HG2 LYS A 87 10.011 -3.607 -5.248 1.00 0.00 H new ATOM 0 HG3 LYS A 87 9.762 -5.093 -6.144 1.00 0.00 H new ATOM 0 HD2 LYS A 87 7.365 -3.478 -6.386 1.00 0.00 H new ATOM 0 HD3 LYS A 87 8.746 -2.465 -6.757 1.00 0.00 H new ATOM 0 HE2 LYS A 87 9.124 -3.565 -8.749 1.00 0.00 H new ATOM 0 HE3 LYS A 87 9.044 -5.138 -7.980 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 7.142 -4.795 -9.475 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 6.607 -4.928 -7.869 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 6.685 -3.405 -8.615 1.00 0.00 H new ATOM 1209 N TYR A 88 9.644 -4.253 -1.567 1.00 0.00 N ATOM 1210 CA TYR A 88 10.433 -3.285 -0.757 1.00 0.00 C ATOM 1211 C TYR A 88 10.604 -3.789 0.674 1.00 0.00 C ATOM 1212 O TYR A 88 11.273 -3.170 1.477 1.00 0.00 O ATOM 1213 CB TYR A 88 9.585 -2.011 -0.750 1.00 0.00 C ATOM 1214 CG TYR A 88 9.054 -1.735 -2.134 1.00 0.00 C ATOM 1215 CD1 TYR A 88 9.941 -1.452 -3.176 1.00 0.00 C ATOM 1216 CD2 TYR A 88 7.674 -1.760 -2.373 1.00 0.00 C ATOM 1217 CE1 TYR A 88 9.452 -1.197 -4.459 1.00 0.00 C ATOM 1218 CE2 TYR A 88 7.184 -1.506 -3.660 1.00 0.00 C ATOM 1219 CZ TYR A 88 8.073 -1.225 -4.702 1.00 0.00 C ATOM 1220 OH TYR A 88 7.589 -0.969 -5.968 1.00 0.00 O ATOM 0 H TYR A 88 8.799 -4.607 -1.119 1.00 0.00 H new ATOM 0 HA TYR A 88 11.432 -3.133 -1.166 1.00 0.00 H new ATOM 0 HB2 TYR A 88 8.757 -2.120 -0.049 1.00 0.00 H new ATOM 0 HB3 TYR A 88 10.184 -1.168 -0.407 1.00 0.00 H new ATOM 0 HD1 TYR A 88 11.004 -1.430 -2.989 1.00 0.00 H new ATOM 0 HD2 TYR A 88 6.989 -1.975 -1.566 1.00 0.00 H new ATOM 0 HE1 TYR A 88 10.138 -0.978 -5.264 1.00 0.00 H new ATOM 0 HE2 TYR A 88 6.121 -1.527 -3.848 1.00 0.00 H new ATOM 0 HH TYR A 88 6.621 -0.825 -5.925 1.00 0.00 H new ATOM 1230 N GLY A 89 9.991 -4.890 1.011 1.00 0.00 N ATOM 1231 CA GLY A 89 10.110 -5.400 2.407 1.00 0.00 C ATOM 1232 C GLY A 89 9.913 -4.223 3.364 1.00 0.00 C ATOM 1233 O GLY A 89 10.660 -4.039 4.305 1.00 0.00 O ATOM 0 H GLY A 89 9.417 -5.455 0.386 1.00 0.00 H new ATOM 0 HA2 GLY A 89 9.363 -6.172 2.595 1.00 0.00 H new ATOM 0 HA3 GLY A 89 11.087 -5.857 2.563 1.00 0.00 H new ATOM 1237 N LEU A 90 8.922 -3.411 3.110 1.00 0.00 N ATOM 1238 CA LEU A 90 8.680 -2.226 3.982 1.00 0.00 C ATOM 1239 C LEU A 90 8.103 -2.657 5.333 1.00 0.00 C ATOM 1240 O LEU A 90 8.404 -2.077 6.358 1.00 0.00 O ATOM 1241 CB LEU A 90 7.669 -1.378 3.207 1.00 0.00 C ATOM 1242 CG LEU A 90 8.403 -0.498 2.192 1.00 0.00 C ATOM 1243 CD1 LEU A 90 7.574 -0.395 0.908 1.00 0.00 C ATOM 1244 CD2 LEU A 90 8.598 0.898 2.780 1.00 0.00 C ATOM 0 H LEU A 90 8.268 -3.518 2.334 1.00 0.00 H new ATOM 0 HA LEU A 90 9.597 -1.679 4.201 1.00 0.00 H new ATOM 0 HB2 LEU A 90 6.956 -2.023 2.694 1.00 0.00 H new ATOM 0 HB3 LEU A 90 7.098 -0.756 3.896 1.00 0.00 H new ATOM 0 HG LEU A 90 9.373 -0.940 1.964 1.00 0.00 H new ATOM 0 HD11 LEU A 90 8.098 0.232 0.186 1.00 0.00 H new ATOM 0 HD12 LEU A 90 7.430 -1.390 0.487 1.00 0.00 H new ATOM 0 HD13 LEU A 90 6.604 0.047 1.136 1.00 0.00 H new ATOM 0 HD21 LEU A 90 9.121 1.527 2.059 1.00 0.00 H new ATOM 0 HD22 LEU A 90 7.626 1.336 3.007 1.00 0.00 H new ATOM 0 HD23 LEU A 90 9.187 0.829 3.695 1.00 0.00 H new