USER MOD reduce.3.24.130724 H: found=0, std=0, add=764, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 762 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 24 HIS : no HD1:sc= -0.262 X(o=-1.1,f=-1.4) USER MOD Set 1.2: B 46 MET CE :methyl 156:sc= -0.8 (180deg=-2.14) USER MOD Set 2.1: A 46 MET CE :methyl 172:sc= -2.98! (180deg=-2.89!) USER MOD Set 2.2: B 24 HIS : no HD1:sc= -0.414 K(o=-3.4,f=-4.7!) USER MOD Single : A 5 GLN : amide:sc= 0 K(o=0,f=-0.6) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 1.21 (180deg=1.21) USER MOD Single : A 8 ASN : amide:sc= -0.126 K(o=-0.13,f=-0.67) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 LYS NZ :NH3+ -166:sc= 1.35 (180deg=1.11) USER MOD Single : A 14 LYS NZ :NH3+ 165:sc= 1.22 (180deg=0.353) USER MOD Single : A 15 LYS NZ :NH3+ -157:sc= -0.19 (180deg=-0.789) USER MOD Single : A 19 GLN : amide:sc= 0 K(o=0,f=-0.58) USER MOD Single : A 28 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 30 LYS NZ :NH3+ -169:sc= 1.26 (180deg=1.07) USER MOD Single : A 35 SER OG : rot -82:sc= 1.27 USER MOD Single : A 40 LYS NZ :NH3+ -162:sc= -0.0934 (180deg=-0.401) USER MOD Single : A 43 ASN : amide:sc= -0.2 X(o=-0.2,f=-0.33) USER MOD Single : A 44 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0671) USER MOD Single : B 7 LYS NZ :NH3+ -162:sc= -0.0524 (180deg=-0.33) USER MOD Single : B 8 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 9 LYS NZ :NH3+ -167:sc=-0.00693 (180deg=-0.167) USER MOD Single : B 12 ASN : amide:sc= 0.395 X(o=0.39,f=-0.041) USER MOD Single : B 13 LYS NZ :NH3+ 180:sc= 0.595 (180deg=0.595) USER MOD Single : B 14 LYS NZ :NH3+ -175:sc= 0.895 (180deg=0.531) USER MOD Single : B 15 LYS NZ :NH3+ -158:sc= -0.707 (180deg=-1.84!) USER MOD Single : B 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 28 HIS : no HD1:sc= -0.143 X(o=-0.14,f=-0.00026) USER MOD Single : B 30 LYS NZ :NH3+ 173:sc= 0.574 (180deg=0.506) USER MOD Single : B 35 SER OG : rot -73:sc= 1.25 USER MOD Single : B 40 LYS NZ :NH3+ 161:sc= 1.24 (180deg=0.741) USER MOD Single : B 43 ASN : amide:sc= 0.551 K(o=0.55,f=-0.51) USER MOD Single : B 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 59 N GLN A 5 15.667 -13.532 3.428 1.00 0.00 N ATOM 60 CA GLN A 5 16.466 -12.327 3.316 1.00 0.00 C ATOM 61 C GLN A 5 15.794 -11.366 2.359 1.00 0.00 C ATOM 62 O GLN A 5 15.845 -10.160 2.544 1.00 0.00 O ATOM 63 CB GLN A 5 17.905 -12.608 2.891 1.00 0.00 C ATOM 64 CG GLN A 5 18.147 -12.835 1.415 1.00 0.00 C ATOM 65 CD GLN A 5 19.615 -12.900 1.104 1.00 0.00 C ATOM 66 OE1 GLN A 5 20.418 -13.316 1.931 1.00 0.00 O ATOM 67 NE2 GLN A 5 19.986 -12.479 -0.065 1.00 0.00 N ATOM 0 HA GLN A 5 16.528 -11.875 4.306 1.00 0.00 H new ATOM 0 HB2 GLN A 5 18.524 -11.770 3.212 1.00 0.00 H new ATOM 0 HB3 GLN A 5 18.254 -13.488 3.432 1.00 0.00 H new ATOM 0 HG2 GLN A 5 17.666 -13.763 1.104 1.00 0.00 H new ATOM 0 HG3 GLN A 5 17.687 -12.030 0.841 1.00 0.00 H new ATOM 0 HE21 GLN A 5 19.290 -12.139 -0.729 1.00 0.00 H new ATOM 0 HE22 GLN A 5 20.973 -12.488 -0.320 1.00 0.00 H new ATOM 76 N LEU A 6 15.123 -11.929 1.359 1.00 0.00 N ATOM 77 CA LEU A 6 14.342 -11.167 0.406 1.00 0.00 C ATOM 78 C LEU A 6 13.242 -10.439 1.169 1.00 0.00 C ATOM 79 O LEU A 6 12.973 -9.267 0.933 1.00 0.00 O ATOM 80 CB LEU A 6 13.786 -12.141 -0.681 1.00 0.00 C ATOM 81 CG LEU A 6 12.857 -11.596 -1.799 1.00 0.00 C ATOM 82 CD1 LEU A 6 11.441 -11.355 -1.307 1.00 0.00 C ATOM 83 CD2 LEU A 6 13.432 -10.332 -2.429 1.00 0.00 C ATOM 0 H LEU A 6 15.109 -12.935 1.191 1.00 0.00 H new ATOM 0 HA LEU A 6 14.943 -10.418 -0.110 1.00 0.00 H new ATOM 0 HB2 LEU A 6 14.642 -12.608 -1.168 1.00 0.00 H new ATOM 0 HB3 LEU A 6 13.243 -12.931 -0.163 1.00 0.00 H new ATOM 0 HG LEU A 6 12.805 -12.369 -2.566 1.00 0.00 H new ATOM 0 HD11 LEU A 6 10.831 -10.974 -2.126 1.00 0.00 H new ATOM 0 HD12 LEU A 6 11.018 -12.292 -0.944 1.00 0.00 H new ATOM 0 HD13 LEU A 6 11.456 -10.626 -0.497 1.00 0.00 H new ATOM 0 HD21 LEU A 6 12.758 -9.975 -3.208 1.00 0.00 H new ATOM 0 HD22 LEU A 6 13.543 -9.563 -1.665 1.00 0.00 H new ATOM 0 HD23 LEU A 6 14.406 -10.554 -2.865 1.00 0.00 H new ATOM 95 N LYS A 7 12.651 -11.143 2.108 1.00 0.00 N ATOM 96 CA LYS A 7 11.633 -10.604 2.976 1.00 0.00 C ATOM 97 C LYS A 7 12.187 -9.471 3.804 1.00 0.00 C ATOM 98 O LYS A 7 11.545 -8.448 3.970 1.00 0.00 O ATOM 99 CB LYS A 7 11.116 -11.691 3.886 1.00 0.00 C ATOM 100 CG LYS A 7 9.646 -12.002 3.686 1.00 0.00 C ATOM 101 CD LYS A 7 8.740 -10.873 4.177 1.00 0.00 C ATOM 102 CE LYS A 7 8.802 -10.716 5.682 1.00 0.00 C ATOM 103 NZ LYS A 7 7.886 -9.675 6.153 1.00 0.00 N ATOM 0 H LYS A 7 12.869 -12.122 2.292 1.00 0.00 H new ATOM 0 HA LYS A 7 10.818 -10.221 2.362 1.00 0.00 H new ATOM 0 HB2 LYS A 7 11.697 -12.599 3.720 1.00 0.00 H new ATOM 0 HB3 LYS A 7 11.278 -11.394 4.922 1.00 0.00 H new ATOM 0 HG2 LYS A 7 9.456 -12.183 2.628 1.00 0.00 H new ATOM 0 HG3 LYS A 7 9.396 -12.921 4.216 1.00 0.00 H new ATOM 0 HD2 LYS A 7 9.035 -9.938 3.702 1.00 0.00 H new ATOM 0 HD3 LYS A 7 7.712 -11.074 3.875 1.00 0.00 H new ATOM 0 HE2 LYS A 7 8.552 -11.664 6.158 1.00 0.00 H new ATOM 0 HE3 LYS A 7 9.820 -10.468 5.981 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 7.954 -9.594 7.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 8.141 -8.766 5.717 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 6.912 -9.925 5.889 1.00 0.00 H new ATOM 117 N ASN A 8 13.388 -9.658 4.300 1.00 0.00 N ATOM 118 CA ASN A 8 14.061 -8.645 5.094 1.00 0.00 C ATOM 119 C ASN A 8 14.337 -7.406 4.258 1.00 0.00 C ATOM 120 O ASN A 8 14.300 -6.280 4.762 1.00 0.00 O ATOM 121 CB ASN A 8 15.362 -9.163 5.698 1.00 0.00 C ATOM 122 CG ASN A 8 15.179 -10.315 6.658 1.00 0.00 C ATOM 123 OD1 ASN A 8 14.135 -10.450 7.304 1.00 0.00 O ATOM 124 ND2 ASN A 8 16.187 -11.139 6.782 1.00 0.00 N ATOM 0 H ASN A 8 13.929 -10.513 4.167 1.00 0.00 H new ATOM 0 HA ASN A 8 13.392 -8.385 5.914 1.00 0.00 H new ATOM 0 HB2 ASN A 8 16.025 -9.477 4.892 1.00 0.00 H new ATOM 0 HB3 ASN A 8 15.859 -8.345 6.219 1.00 0.00 H new ATOM 0 HD21 ASN A 8 16.126 -11.925 7.429 1.00 0.00 H new ATOM 0 HD22 ASN A 8 17.034 -10.996 6.232 1.00 0.00 H new ATOM 131 N LYS A 9 14.642 -7.611 2.985 1.00 0.00 N ATOM 132 CA LYS A 9 14.849 -6.505 2.057 1.00 0.00 C ATOM 133 C LYS A 9 13.526 -5.800 1.807 1.00 0.00 C ATOM 134 O LYS A 9 13.476 -4.571 1.747 1.00 0.00 O ATOM 135 CB LYS A 9 15.451 -6.986 0.731 1.00 0.00 C ATOM 136 CG LYS A 9 16.795 -7.706 0.866 1.00 0.00 C ATOM 137 CD LYS A 9 17.878 -6.831 1.498 1.00 0.00 C ATOM 138 CE LYS A 9 18.203 -5.628 0.634 1.00 0.00 C ATOM 139 NZ LYS A 9 19.268 -4.792 1.217 1.00 0.00 N ATOM 0 H LYS A 9 14.752 -8.536 2.569 1.00 0.00 H new ATOM 0 HA LYS A 9 15.558 -5.810 2.506 1.00 0.00 H new ATOM 0 HB2 LYS A 9 14.741 -7.657 0.247 1.00 0.00 H new ATOM 0 HB3 LYS A 9 15.578 -6.127 0.072 1.00 0.00 H new ATOM 0 HG2 LYS A 9 16.662 -8.603 1.470 1.00 0.00 H new ATOM 0 HG3 LYS A 9 17.128 -8.032 -0.120 1.00 0.00 H new ATOM 0 HD2 LYS A 9 17.546 -6.494 2.480 1.00 0.00 H new ATOM 0 HD3 LYS A 9 18.780 -7.423 1.652 1.00 0.00 H new ATOM 0 HE2 LYS A 9 18.510 -5.966 -0.355 1.00 0.00 H new ATOM 0 HE3 LYS A 9 17.304 -5.026 0.500 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 19.455 -3.983 0.592 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 18.966 -4.446 2.150 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 20.135 -5.357 1.321 1.00 0.00 H new ATOM 153 N ILE A 10 12.458 -6.590 1.681 1.00 0.00 N ATOM 154 CA ILE A 10 11.097 -6.067 1.550 1.00 0.00 C ATOM 155 C ILE A 10 10.781 -5.181 2.743 1.00 0.00 C ATOM 156 O ILE A 10 10.336 -4.051 2.576 1.00 0.00 O ATOM 157 CB ILE A 10 10.036 -7.222 1.432 1.00 0.00 C ATOM 158 CG1 ILE A 10 10.154 -7.928 0.075 1.00 0.00 C ATOM 159 CG2 ILE A 10 8.602 -6.734 1.669 1.00 0.00 C ATOM 160 CD1 ILE A 10 9.157 -9.054 -0.129 1.00 0.00 C ATOM 0 H ILE A 10 12.512 -7.608 1.667 1.00 0.00 H new ATOM 0 HA ILE A 10 11.043 -5.483 0.631 1.00 0.00 H new ATOM 0 HB ILE A 10 10.258 -7.938 2.223 1.00 0.00 H new ATOM 0 HG12 ILE A 10 10.021 -7.192 -0.718 1.00 0.00 H new ATOM 0 HG13 ILE A 10 11.163 -8.328 -0.027 1.00 0.00 H new ATOM 0 HG21 ILE A 10 7.912 -7.573 1.575 1.00 0.00 H new ATOM 0 HG22 ILE A 10 8.523 -6.309 2.670 1.00 0.00 H new ATOM 0 HG23 ILE A 10 8.350 -5.973 0.931 1.00 0.00 H new ATOM 0 HD11 ILE A 10 9.308 -9.500 -1.112 1.00 0.00 H new ATOM 0 HD12 ILE A 10 9.303 -9.813 0.640 1.00 0.00 H new ATOM 0 HD13 ILE A 10 8.143 -8.659 -0.061 1.00 0.00 H new ATOM 172 N GLU A 11 11.074 -5.688 3.936 1.00 0.00 N ATOM 173 CA GLU A 11 10.866 -4.957 5.177 1.00 0.00 C ATOM 174 C GLU A 11 11.613 -3.641 5.176 1.00 0.00 C ATOM 175 O GLU A 11 11.027 -2.587 5.393 1.00 0.00 O ATOM 176 CB GLU A 11 11.322 -5.781 6.382 1.00 0.00 C ATOM 177 CG GLU A 11 10.521 -7.034 6.604 1.00 0.00 C ATOM 178 CD GLU A 11 9.073 -6.725 6.746 1.00 0.00 C ATOM 179 OE1 GLU A 11 8.680 -6.134 7.763 1.00 0.00 O ATOM 180 OE2 GLU A 11 8.292 -7.060 5.838 1.00 0.00 O ATOM 0 H GLU A 11 11.464 -6.621 4.068 1.00 0.00 H new ATOM 0 HA GLU A 11 9.796 -4.761 5.252 1.00 0.00 H new ATOM 0 HB2 GLU A 11 12.370 -6.051 6.249 1.00 0.00 H new ATOM 0 HB3 GLU A 11 11.263 -5.161 7.277 1.00 0.00 H new ATOM 0 HG2 GLU A 11 10.670 -7.718 5.768 1.00 0.00 H new ATOM 0 HG3 GLU A 11 10.877 -7.543 7.500 1.00 0.00 H new ATOM 187 N ASN A 12 12.885 -3.719 4.894 1.00 0.00 N ATOM 188 CA ASN A 12 13.784 -2.574 4.903 1.00 0.00 C ATOM 189 C ASN A 12 13.351 -1.505 3.896 1.00 0.00 C ATOM 190 O ASN A 12 13.378 -0.302 4.199 1.00 0.00 O ATOM 191 CB ASN A 12 15.212 -3.052 4.611 1.00 0.00 C ATOM 192 CG ASN A 12 16.277 -1.989 4.801 1.00 0.00 C ATOM 193 OD1 ASN A 12 16.780 -1.804 5.908 1.00 0.00 O ATOM 194 ND2 ASN A 12 16.685 -1.348 3.747 1.00 0.00 N ATOM 0 H ASN A 12 13.345 -4.595 4.645 1.00 0.00 H new ATOM 0 HA ASN A 12 13.749 -2.112 5.890 1.00 0.00 H new ATOM 0 HB2 ASN A 12 15.439 -3.898 5.260 1.00 0.00 H new ATOM 0 HB3 ASN A 12 15.258 -3.416 3.585 1.00 0.00 H new ATOM 0 HD21 ASN A 12 17.443 -0.669 3.824 1.00 0.00 H new ATOM 0 HD22 ASN A 12 16.248 -1.523 2.842 1.00 0.00 H new ATOM 201 N LYS A 13 12.923 -1.944 2.720 1.00 0.00 N ATOM 202 CA LYS A 13 12.504 -1.029 1.668 1.00 0.00 C ATOM 203 C LYS A 13 11.120 -0.428 1.996 1.00 0.00 C ATOM 204 O LYS A 13 10.883 0.761 1.772 1.00 0.00 O ATOM 205 CB LYS A 13 12.524 -1.744 0.299 1.00 0.00 C ATOM 206 CG LYS A 13 12.431 -0.816 -0.917 1.00 0.00 C ATOM 207 CD LYS A 13 13.559 0.221 -0.924 1.00 0.00 C ATOM 208 CE LYS A 13 14.958 -0.377 -1.059 1.00 0.00 C ATOM 209 NZ LYS A 13 15.216 -0.902 -2.411 1.00 0.00 N ATOM 0 H LYS A 13 12.857 -2.931 2.471 1.00 0.00 H new ATOM 0 HA LYS A 13 13.208 -0.199 1.610 1.00 0.00 H new ATOM 0 HB2 LYS A 13 13.442 -2.326 0.223 1.00 0.00 H new ATOM 0 HB3 LYS A 13 11.695 -2.450 0.263 1.00 0.00 H new ATOM 0 HG2 LYS A 13 12.475 -1.408 -1.831 1.00 0.00 H new ATOM 0 HG3 LYS A 13 11.468 -0.306 -0.913 1.00 0.00 H new ATOM 0 HD2 LYS A 13 13.393 0.917 -1.746 1.00 0.00 H new ATOM 0 HD3 LYS A 13 13.511 0.800 -0.002 1.00 0.00 H new ATOM 0 HE2 LYS A 13 15.700 0.385 -0.820 1.00 0.00 H new ATOM 0 HE3 LYS A 13 15.079 -1.179 -0.331 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 16.066 -1.501 -2.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 14.401 -1.467 -2.725 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 15.363 -0.110 -3.069 1.00 0.00 H new ATOM 223 N LYS A 14 10.235 -1.259 2.535 1.00 0.00 N ATOM 224 CA LYS A 14 8.932 -0.854 3.034 1.00 0.00 C ATOM 225 C LYS A 14 9.114 0.237 4.083 1.00 0.00 C ATOM 226 O LYS A 14 8.470 1.266 4.036 1.00 0.00 O ATOM 227 CB LYS A 14 8.251 -2.078 3.678 1.00 0.00 C ATOM 228 CG LYS A 14 6.902 -1.813 4.318 1.00 0.00 C ATOM 229 CD LYS A 14 6.341 -3.048 5.032 1.00 0.00 C ATOM 230 CE LYS A 14 7.230 -3.496 6.184 1.00 0.00 C ATOM 231 NZ LYS A 14 6.672 -4.662 6.908 1.00 0.00 N ATOM 0 H LYS A 14 10.411 -2.258 2.638 1.00 0.00 H new ATOM 0 HA LYS A 14 8.318 -0.472 2.219 1.00 0.00 H new ATOM 0 HB2 LYS A 14 8.127 -2.846 2.915 1.00 0.00 H new ATOM 0 HB3 LYS A 14 8.919 -2.487 4.436 1.00 0.00 H new ATOM 0 HG2 LYS A 14 6.996 -0.995 5.032 1.00 0.00 H new ATOM 0 HG3 LYS A 14 6.197 -1.488 3.553 1.00 0.00 H new ATOM 0 HD2 LYS A 14 5.343 -2.826 5.410 1.00 0.00 H new ATOM 0 HD3 LYS A 14 6.237 -3.864 4.317 1.00 0.00 H new ATOM 0 HE2 LYS A 14 8.218 -3.749 5.800 1.00 0.00 H new ATOM 0 HE3 LYS A 14 7.362 -2.668 6.881 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 7.411 -5.086 7.505 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 5.879 -4.353 7.505 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 6.334 -5.367 6.222 1.00 0.00 H new ATOM 245 N LYS A 15 10.024 -0.010 5.009 1.00 0.00 N ATOM 246 CA LYS A 15 10.354 0.911 6.086 1.00 0.00 C ATOM 247 C LYS A 15 10.824 2.266 5.576 1.00 0.00 C ATOM 248 O LYS A 15 10.442 3.301 6.131 1.00 0.00 O ATOM 249 CB LYS A 15 11.344 0.257 7.039 1.00 0.00 C ATOM 250 CG LYS A 15 10.674 -0.765 7.951 1.00 0.00 C ATOM 251 CD LYS A 15 11.676 -1.675 8.627 1.00 0.00 C ATOM 252 CE LYS A 15 11.051 -2.422 9.795 1.00 0.00 C ATOM 253 NZ LYS A 15 10.528 -1.499 10.834 1.00 0.00 N ATOM 0 H LYS A 15 10.566 -0.874 5.035 1.00 0.00 H new ATOM 0 HA LYS A 15 9.443 1.126 6.645 1.00 0.00 H new ATOM 0 HB2 LYS A 15 12.131 -0.232 6.464 1.00 0.00 H new ATOM 0 HB3 LYS A 15 11.823 1.025 7.646 1.00 0.00 H new ATOM 0 HG2 LYS A 15 10.090 -0.244 8.710 1.00 0.00 H new ATOM 0 HG3 LYS A 15 9.976 -1.366 7.368 1.00 0.00 H new ATOM 0 HD2 LYS A 15 12.066 -2.390 7.903 1.00 0.00 H new ATOM 0 HD3 LYS A 15 12.522 -1.087 8.981 1.00 0.00 H new ATOM 0 HE2 LYS A 15 10.240 -3.052 9.429 1.00 0.00 H new ATOM 0 HE3 LYS A 15 11.794 -3.084 10.240 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 10.474 -1.997 11.745 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 11.164 -0.681 10.923 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 9.579 -1.172 10.562 1.00 0.00 H new ATOM 267 N GLU A 16 11.610 2.253 4.508 1.00 0.00 N ATOM 268 CA GLU A 16 12.034 3.476 3.819 1.00 0.00 C ATOM 269 C GLU A 16 10.810 4.260 3.372 1.00 0.00 C ATOM 270 O GLU A 16 10.696 5.464 3.596 1.00 0.00 O ATOM 271 CB GLU A 16 12.822 3.115 2.568 1.00 0.00 C ATOM 272 CG GLU A 16 14.199 2.557 2.775 1.00 0.00 C ATOM 273 CD GLU A 16 15.162 3.602 3.237 1.00 0.00 C ATOM 274 OE1 GLU A 16 15.284 4.650 2.570 1.00 0.00 O ATOM 275 OE2 GLU A 16 15.860 3.376 4.228 1.00 0.00 O ATOM 0 H GLU A 16 11.975 1.397 4.091 1.00 0.00 H new ATOM 0 HA GLU A 16 12.645 4.065 4.504 1.00 0.00 H new ATOM 0 HB2 GLU A 16 12.242 2.388 1.999 1.00 0.00 H new ATOM 0 HB3 GLU A 16 12.907 4.009 1.950 1.00 0.00 H new ATOM 0 HG2 GLU A 16 14.158 1.752 3.509 1.00 0.00 H new ATOM 0 HG3 GLU A 16 14.557 2.120 1.843 1.00 0.00 H new ATOM 282 N LEU A 17 9.894 3.542 2.769 1.00 0.00 N ATOM 283 CA LEU A 17 8.692 4.108 2.230 1.00 0.00 C ATOM 284 C LEU A 17 7.801 4.646 3.328 1.00 0.00 C ATOM 285 O LEU A 17 7.243 5.734 3.190 1.00 0.00 O ATOM 286 CB LEU A 17 7.985 3.069 1.317 1.00 0.00 C ATOM 287 CG LEU A 17 6.530 3.324 0.878 1.00 0.00 C ATOM 288 CD1 LEU A 17 5.537 3.003 1.967 1.00 0.00 C ATOM 289 CD2 LEU A 17 6.343 4.719 0.288 1.00 0.00 C ATOM 0 H LEU A 17 9.968 2.533 2.639 1.00 0.00 H new ATOM 0 HA LEU A 17 8.941 4.967 1.607 1.00 0.00 H new ATOM 0 HB2 LEU A 17 8.586 2.962 0.414 1.00 0.00 H new ATOM 0 HB3 LEU A 17 8.009 2.109 1.832 1.00 0.00 H new ATOM 0 HG LEU A 17 6.317 2.625 0.069 1.00 0.00 H new ATOM 0 HD11 LEU A 17 4.527 3.199 1.608 1.00 0.00 H new ATOM 0 HD12 LEU A 17 5.626 1.952 2.243 1.00 0.00 H new ATOM 0 HD13 LEU A 17 5.739 3.625 2.839 1.00 0.00 H new ATOM 0 HD21 LEU A 17 5.302 4.853 -0.007 1.00 0.00 H new ATOM 0 HD22 LEU A 17 6.608 5.468 1.034 1.00 0.00 H new ATOM 0 HD23 LEU A 17 6.985 4.834 -0.585 1.00 0.00 H new ATOM 301 N ILE A 18 7.665 3.889 4.404 1.00 0.00 N ATOM 302 CA ILE A 18 6.822 4.286 5.519 1.00 0.00 C ATOM 303 C ILE A 18 7.256 5.651 6.025 1.00 0.00 C ATOM 304 O ILE A 18 6.435 6.517 6.255 1.00 0.00 O ATOM 305 CB ILE A 18 6.869 3.261 6.687 1.00 0.00 C ATOM 306 CG1 ILE A 18 6.391 1.893 6.208 1.00 0.00 C ATOM 307 CG2 ILE A 18 6.005 3.740 7.868 1.00 0.00 C ATOM 308 CD1 ILE A 18 6.643 0.780 7.190 1.00 0.00 C ATOM 0 H ILE A 18 8.131 2.990 4.529 1.00 0.00 H new ATOM 0 HA ILE A 18 5.795 4.325 5.156 1.00 0.00 H new ATOM 0 HB ILE A 18 7.901 3.176 7.027 1.00 0.00 H new ATOM 0 HG12 ILE A 18 5.322 1.945 5.999 1.00 0.00 H new ATOM 0 HG13 ILE A 18 6.888 1.654 5.268 1.00 0.00 H new ATOM 0 HG21 ILE A 18 6.052 3.008 8.674 1.00 0.00 H new ATOM 0 HG22 ILE A 18 6.379 4.699 8.227 1.00 0.00 H new ATOM 0 HG23 ILE A 18 4.971 3.853 7.541 1.00 0.00 H new ATOM 0 HD11 ILE A 18 6.276 -0.160 6.777 1.00 0.00 H new ATOM 0 HD12 ILE A 18 7.713 0.699 7.381 1.00 0.00 H new ATOM 0 HD13 ILE A 18 6.123 0.994 8.124 1.00 0.00 H new ATOM 320 N GLN A 19 8.564 5.841 6.105 1.00 0.00 N ATOM 321 CA GLN A 19 9.153 7.090 6.571 1.00 0.00 C ATOM 322 C GLN A 19 8.858 8.237 5.608 1.00 0.00 C ATOM 323 O GLN A 19 8.695 9.384 6.025 1.00 0.00 O ATOM 324 CB GLN A 19 10.649 6.923 6.749 1.00 0.00 C ATOM 325 CG GLN A 19 11.019 5.914 7.817 1.00 0.00 C ATOM 326 CD GLN A 19 12.505 5.696 7.923 1.00 0.00 C ATOM 327 OE1 GLN A 19 13.298 6.598 7.656 1.00 0.00 O ATOM 328 NE2 GLN A 19 12.897 4.512 8.317 1.00 0.00 N ATOM 0 H GLN A 19 9.250 5.132 5.848 1.00 0.00 H new ATOM 0 HA GLN A 19 8.704 7.339 7.532 1.00 0.00 H new ATOM 0 HB2 GLN A 19 11.088 6.614 5.800 1.00 0.00 H new ATOM 0 HB3 GLN A 19 11.087 7.888 7.004 1.00 0.00 H new ATOM 0 HG2 GLN A 19 10.637 6.254 8.780 1.00 0.00 H new ATOM 0 HG3 GLN A 19 10.532 4.964 7.598 1.00 0.00 H new ATOM 0 HE21 GLN A 19 12.207 3.791 8.529 1.00 0.00 H new ATOM 0 HE22 GLN A 19 13.892 4.310 8.412 1.00 0.00 H new ATOM 337 N LEU A 20 8.789 7.916 4.337 1.00 0.00 N ATOM 338 CA LEU A 20 8.466 8.876 3.292 1.00 0.00 C ATOM 339 C LEU A 20 7.017 9.313 3.393 1.00 0.00 C ATOM 340 O LEU A 20 6.731 10.515 3.429 1.00 0.00 O ATOM 341 CB LEU A 20 8.772 8.284 1.915 1.00 0.00 C ATOM 342 CG LEU A 20 10.185 8.501 1.337 1.00 0.00 C ATOM 343 CD1 LEU A 20 11.254 8.504 2.398 1.00 0.00 C ATOM 344 CD2 LEU A 20 10.488 7.408 0.346 1.00 0.00 C ATOM 0 H LEU A 20 8.956 6.972 3.989 1.00 0.00 H new ATOM 0 HA LEU A 20 9.088 9.761 3.427 1.00 0.00 H new ATOM 0 HB2 LEU A 20 8.592 7.210 1.965 1.00 0.00 H new ATOM 0 HB3 LEU A 20 8.053 8.696 1.206 1.00 0.00 H new ATOM 0 HG LEU A 20 10.191 9.481 0.859 1.00 0.00 H new ATOM 0 HD11 LEU A 20 12.227 8.661 1.933 1.00 0.00 H new ATOM 0 HD12 LEU A 20 11.058 9.306 3.109 1.00 0.00 H new ATOM 0 HD13 LEU A 20 11.251 7.547 2.920 1.00 0.00 H new ATOM 0 HD21 LEU A 20 11.486 7.557 -0.066 1.00 0.00 H new ATOM 0 HD22 LEU A 20 10.442 6.441 0.846 1.00 0.00 H new ATOM 0 HD23 LEU A 20 9.755 7.435 -0.460 1.00 0.00 H new ATOM 356 N VAL A 21 6.097 8.351 3.441 1.00 0.00 N ATOM 357 CA VAL A 21 4.686 8.678 3.631 1.00 0.00 C ATOM 358 C VAL A 21 4.493 9.423 4.976 1.00 0.00 C ATOM 359 O VAL A 21 3.773 10.413 5.054 1.00 0.00 O ATOM 360 CB VAL A 21 3.799 7.406 3.609 1.00 0.00 C ATOM 361 CG1 VAL A 21 2.323 7.762 3.570 1.00 0.00 C ATOM 362 CG2 VAL A 21 4.158 6.526 2.439 1.00 0.00 C ATOM 0 H VAL A 21 6.298 7.355 3.353 1.00 0.00 H new ATOM 0 HA VAL A 21 4.379 9.320 2.806 1.00 0.00 H new ATOM 0 HB VAL A 21 3.988 6.855 4.530 1.00 0.00 H new ATOM 0 HG11 VAL A 21 1.729 6.848 3.555 1.00 0.00 H new ATOM 0 HG12 VAL A 21 2.067 8.348 4.453 1.00 0.00 H new ATOM 0 HG13 VAL A 21 2.113 8.346 2.674 1.00 0.00 H new ATOM 0 HG21 VAL A 21 3.524 5.639 2.443 1.00 0.00 H new ATOM 0 HG22 VAL A 21 4.007 7.076 1.510 1.00 0.00 H new ATOM 0 HG23 VAL A 21 5.203 6.225 2.517 1.00 0.00 H new ATOM 372 N ALA A 22 5.196 8.963 6.004 1.00 0.00 N ATOM 373 CA ALA A 22 5.138 9.540 7.349 1.00 0.00 C ATOM 374 C ALA A 22 5.506 11.019 7.360 1.00 0.00 C ATOM 375 O ALA A 22 4.736 11.864 7.855 1.00 0.00 O ATOM 376 CB ALA A 22 6.063 8.784 8.279 1.00 0.00 C ATOM 0 H ALA A 22 5.832 8.169 5.930 1.00 0.00 H new ATOM 0 HA ALA A 22 4.107 9.451 7.692 1.00 0.00 H new ATOM 0 HB1 ALA A 22 6.013 9.221 9.276 1.00 0.00 H new ATOM 0 HB2 ALA A 22 5.758 7.739 8.325 1.00 0.00 H new ATOM 0 HB3 ALA A 22 7.085 8.848 7.906 1.00 0.00 H new ATOM 382 N ARG A 23 6.649 11.340 6.761 1.00 0.00 N ATOM 383 CA ARG A 23 7.177 12.704 6.763 1.00 0.00 C ATOM 384 C ARG A 23 6.316 13.640 5.937 1.00 0.00 C ATOM 385 O ARG A 23 6.402 14.866 6.080 1.00 0.00 O ATOM 386 CB ARG A 23 8.644 12.748 6.315 1.00 0.00 C ATOM 387 CG ARG A 23 8.891 12.321 4.884 1.00 0.00 C ATOM 388 CD ARG A 23 10.377 12.227 4.586 1.00 0.00 C ATOM 389 NE ARG A 23 11.030 11.200 5.417 1.00 0.00 N ATOM 390 CZ ARG A 23 12.313 10.819 5.330 1.00 0.00 C ATOM 391 NH1 ARG A 23 13.126 11.384 4.445 1.00 0.00 N ATOM 392 NH2 ARG A 23 12.777 9.882 6.145 1.00 0.00 N ATOM 0 H ARG A 23 7.233 10.668 6.263 1.00 0.00 H new ATOM 0 HA ARG A 23 7.143 13.057 7.794 1.00 0.00 H new ATOM 0 HB2 ARG A 23 9.017 13.764 6.444 1.00 0.00 H new ATOM 0 HB3 ARG A 23 9.229 12.107 6.975 1.00 0.00 H new ATOM 0 HG2 ARG A 23 8.420 11.355 4.704 1.00 0.00 H new ATOM 0 HG3 ARG A 23 8.426 13.034 4.204 1.00 0.00 H new ATOM 0 HD2 ARG A 23 10.524 11.991 3.532 1.00 0.00 H new ATOM 0 HD3 ARG A 23 10.847 13.194 4.765 1.00 0.00 H new ATOM 0 HE ARG A 23 10.455 10.738 6.121 1.00 0.00 H new ATOM 0 HH11 ARG A 23 12.776 12.114 3.824 1.00 0.00 H new ATOM 0 HH12 ARG A 23 14.100 11.088 4.386 1.00 0.00 H new ATOM 0 HH21 ARG A 23 12.159 9.454 6.834 1.00 0.00 H new ATOM 0 HH22 ARG A 23 13.752 9.589 6.083 1.00 0.00 H new ATOM 406 N HIS A 24 5.499 13.063 5.064 1.00 0.00 N ATOM 407 CA HIS A 24 4.592 13.822 4.242 1.00 0.00 C ATOM 408 C HIS A 24 3.599 14.623 5.095 1.00 0.00 C ATOM 409 O HIS A 24 3.290 15.775 4.783 1.00 0.00 O ATOM 410 CB HIS A 24 3.863 12.913 3.229 1.00 0.00 C ATOM 411 CG HIS A 24 2.870 13.659 2.371 1.00 0.00 C ATOM 412 ND1 HIS A 24 3.218 14.584 1.407 1.00 0.00 N ATOM 413 CD2 HIS A 24 1.530 13.645 2.400 1.00 0.00 C ATOM 414 CE1 HIS A 24 2.099 15.096 0.895 1.00 0.00 C ATOM 415 NE2 HIS A 24 1.030 14.557 1.463 1.00 0.00 N ATOM 0 H HIS A 24 5.454 12.055 4.913 1.00 0.00 H new ATOM 0 HA HIS A 24 5.184 14.540 3.673 1.00 0.00 H new ATOM 0 HB2 HIS A 24 4.600 12.432 2.586 1.00 0.00 H new ATOM 0 HB3 HIS A 24 3.345 12.121 3.769 1.00 0.00 H new ATOM 0 HD2 HIS A 24 0.928 13.025 3.047 1.00 0.00 H new ATOM 0 HE1 HIS A 24 2.068 15.849 0.121 1.00 0.00 H new ATOM 0 HE2 HIS A 24 0.052 14.763 1.261 1.00 0.00 H new ATOM 423 N GLY A 25 3.149 14.048 6.185 1.00 0.00 N ATOM 424 CA GLY A 25 2.196 14.760 7.010 1.00 0.00 C ATOM 425 C GLY A 25 1.318 13.865 7.821 1.00 0.00 C ATOM 426 O GLY A 25 0.343 14.322 8.420 1.00 0.00 O ATOM 0 H GLY A 25 3.415 13.120 6.516 1.00 0.00 H new ATOM 0 HA2 GLY A 25 2.737 15.428 7.680 1.00 0.00 H new ATOM 0 HA3 GLY A 25 1.572 15.385 6.372 1.00 0.00 H new ATOM 430 N LEU A 26 1.603 12.592 7.783 1.00 0.00 N ATOM 431 CA LEU A 26 0.940 11.639 8.586 1.00 0.00 C ATOM 432 C LEU A 26 1.238 11.827 10.045 1.00 0.00 C ATOM 433 O LEU A 26 2.341 12.226 10.435 1.00 0.00 O ATOM 434 CB LEU A 26 1.332 10.249 8.162 1.00 0.00 C ATOM 435 CG LEU A 26 0.573 9.662 6.987 1.00 0.00 C ATOM 436 CD1 LEU A 26 0.758 10.440 5.701 1.00 0.00 C ATOM 437 CD2 LEU A 26 0.900 8.201 6.823 1.00 0.00 C ATOM 0 H LEU A 26 2.320 12.195 7.176 1.00 0.00 H new ATOM 0 HA LEU A 26 -0.132 11.781 8.446 1.00 0.00 H new ATOM 0 HB2 LEU A 26 2.394 10.254 7.915 1.00 0.00 H new ATOM 0 HB3 LEU A 26 1.207 9.583 9.016 1.00 0.00 H new ATOM 0 HG LEU A 26 -0.488 9.750 7.219 1.00 0.00 H new ATOM 0 HD11 LEU A 26 0.188 9.965 4.903 1.00 0.00 H new ATOM 0 HD12 LEU A 26 0.405 11.462 5.840 1.00 0.00 H new ATOM 0 HD13 LEU A 26 1.814 10.454 5.433 1.00 0.00 H new ATOM 0 HD21 LEU A 26 0.346 7.797 5.975 1.00 0.00 H new ATOM 0 HD22 LEU A 26 1.969 8.085 6.646 1.00 0.00 H new ATOM 0 HD23 LEU A 26 0.621 7.662 7.728 1.00 0.00 H new ATOM 449 N ASP A 27 0.257 11.529 10.832 1.00 0.00 N ATOM 450 CA ASP A 27 0.364 11.582 12.274 1.00 0.00 C ATOM 451 C ASP A 27 1.115 10.356 12.710 1.00 0.00 C ATOM 452 O ASP A 27 1.264 9.419 11.917 1.00 0.00 O ATOM 453 CB ASP A 27 -1.027 11.547 12.917 1.00 0.00 C ATOM 454 CG ASP A 27 -1.944 12.632 12.432 1.00 0.00 C ATOM 455 OD1 ASP A 27 -1.914 13.748 12.991 1.00 0.00 O ATOM 456 OD2 ASP A 27 -2.701 12.395 11.463 1.00 0.00 O ATOM 0 H ASP A 27 -0.661 11.236 10.497 1.00 0.00 H new ATOM 0 HA ASP A 27 0.869 12.500 12.575 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -1.486 10.579 12.716 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -0.920 11.631 13.998 1.00 0.00 H new ATOM 461 N HIS A 28 1.545 10.316 13.952 1.00 0.00 N ATOM 462 CA HIS A 28 2.277 9.154 14.462 1.00 0.00 C ATOM 463 C HIS A 28 1.371 7.939 14.399 1.00 0.00 C ATOM 464 O HIS A 28 1.787 6.853 14.000 1.00 0.00 O ATOM 465 CB HIS A 28 2.765 9.373 15.904 1.00 0.00 C ATOM 466 CG HIS A 28 3.658 10.565 16.087 1.00 0.00 C ATOM 467 ND1 HIS A 28 5.026 10.546 15.907 1.00 0.00 N ATOM 468 CD2 HIS A 28 3.349 11.832 16.445 1.00 0.00 C ATOM 469 CE1 HIS A 28 5.493 11.771 16.154 1.00 0.00 C ATOM 470 NE2 HIS A 28 4.512 12.594 16.487 1.00 0.00 N ATOM 0 H HIS A 28 1.407 11.064 14.631 1.00 0.00 H new ATOM 0 HA HIS A 28 3.160 9.002 13.841 1.00 0.00 H new ATOM 0 HB2 HIS A 28 1.897 9.482 16.555 1.00 0.00 H new ATOM 0 HB3 HIS A 28 3.299 8.481 16.232 1.00 0.00 H new ATOM 0 HD2 HIS A 28 2.356 12.195 16.664 1.00 0.00 H new ATOM 0 HE1 HIS A 28 6.533 12.053 16.091 1.00 0.00 H new ATOM 0 HE2 HIS A 28 4.592 13.583 16.725 1.00 0.00 H new ATOM 478 N ASP A 29 0.107 8.170 14.721 1.00 0.00 N ATOM 479 CA ASP A 29 -0.925 7.145 14.662 1.00 0.00 C ATOM 480 C ASP A 29 -1.117 6.661 13.250 1.00 0.00 C ATOM 481 O ASP A 29 -1.250 5.463 13.017 1.00 0.00 O ATOM 482 CB ASP A 29 -2.257 7.656 15.199 1.00 0.00 C ATOM 483 CG ASP A 29 -2.242 7.905 16.671 1.00 0.00 C ATOM 484 OD1 ASP A 29 -2.282 6.925 17.447 1.00 0.00 O ATOM 485 OD2 ASP A 29 -2.167 9.083 17.089 1.00 0.00 O ATOM 0 H ASP A 29 -0.234 9.079 15.033 1.00 0.00 H new ATOM 0 HA ASP A 29 -0.589 6.320 15.289 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -2.519 8.580 14.684 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -3.037 6.930 14.968 1.00 0.00 H new ATOM 490 N LYS A 30 -1.101 7.596 12.303 1.00 0.00 N ATOM 491 CA LYS A 30 -1.257 7.270 10.891 1.00 0.00 C ATOM 492 C LYS A 30 -0.156 6.335 10.436 1.00 0.00 C ATOM 493 O LYS A 30 -0.424 5.362 9.766 1.00 0.00 O ATOM 494 CB LYS A 30 -1.223 8.515 10.011 1.00 0.00 C ATOM 495 CG LYS A 30 -2.381 9.486 10.150 1.00 0.00 C ATOM 496 CD LYS A 30 -3.725 8.871 9.812 1.00 0.00 C ATOM 497 CE LYS A 30 -4.817 9.945 9.751 1.00 0.00 C ATOM 498 NZ LYS A 30 -4.837 10.817 10.952 1.00 0.00 N ATOM 0 H LYS A 30 -0.981 8.591 12.492 1.00 0.00 H new ATOM 0 HA LYS A 30 -2.230 6.790 10.787 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -0.300 9.055 10.223 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -1.173 8.194 8.971 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -2.409 9.863 11.172 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -2.208 10.343 9.499 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -3.663 8.355 8.854 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -3.986 8.123 10.561 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -4.665 10.560 8.864 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -5.788 9.463 9.642 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -5.700 11.397 10.946 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -4.822 10.228 11.809 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -4.003 11.438 10.944 1.00 0.00 H new ATOM 512 N VAL A 31 1.078 6.633 10.841 1.00 0.00 N ATOM 513 CA VAL A 31 2.241 5.841 10.482 1.00 0.00 C ATOM 514 C VAL A 31 2.072 4.409 10.973 1.00 0.00 C ATOM 515 O VAL A 31 2.339 3.456 10.240 1.00 0.00 O ATOM 516 CB VAL A 31 3.540 6.448 11.087 1.00 0.00 C ATOM 517 CG1 VAL A 31 4.771 5.655 10.677 1.00 0.00 C ATOM 518 CG2 VAL A 31 3.690 7.900 10.680 1.00 0.00 C ATOM 0 H VAL A 31 1.294 7.437 11.431 1.00 0.00 H new ATOM 0 HA VAL A 31 2.328 5.846 9.396 1.00 0.00 H new ATOM 0 HB VAL A 31 3.454 6.393 12.172 1.00 0.00 H new ATOM 0 HG11 VAL A 31 5.659 6.108 11.118 1.00 0.00 H new ATOM 0 HG12 VAL A 31 4.675 4.627 11.028 1.00 0.00 H new ATOM 0 HG13 VAL A 31 4.862 5.660 9.591 1.00 0.00 H new ATOM 0 HG21 VAL A 31 4.604 8.307 11.113 1.00 0.00 H new ATOM 0 HG22 VAL A 31 3.741 7.970 9.593 1.00 0.00 H new ATOM 0 HG23 VAL A 31 2.833 8.469 11.041 1.00 0.00 H new ATOM 528 N LEU A 32 1.590 4.272 12.194 1.00 0.00 N ATOM 529 CA LEU A 32 1.377 2.969 12.809 1.00 0.00 C ATOM 530 C LEU A 32 0.334 2.175 12.034 1.00 0.00 C ATOM 531 O LEU A 32 0.557 1.019 11.669 1.00 0.00 O ATOM 532 CB LEU A 32 0.933 3.138 14.259 1.00 0.00 C ATOM 533 CG LEU A 32 1.866 3.949 15.155 1.00 0.00 C ATOM 534 CD1 LEU A 32 1.305 4.046 16.546 1.00 0.00 C ATOM 535 CD2 LEU A 32 3.262 3.348 15.181 1.00 0.00 C ATOM 0 H LEU A 32 1.334 5.059 12.790 1.00 0.00 H new ATOM 0 HA LEU A 32 2.318 2.420 12.787 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -0.048 3.614 14.265 1.00 0.00 H new ATOM 0 HB3 LEU A 32 0.810 2.148 14.698 1.00 0.00 H new ATOM 0 HG LEU A 32 1.943 4.954 14.740 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.982 4.627 17.172 1.00 0.00 H new ATOM 0 HD12 LEU A 32 0.332 4.536 16.512 1.00 0.00 H new ATOM 0 HD13 LEU A 32 1.194 3.046 16.964 1.00 0.00 H new ATOM 0 HD21 LEU A 32 3.904 3.947 15.827 1.00 0.00 H new ATOM 0 HD22 LEU A 32 3.212 2.328 15.563 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.672 3.337 14.171 1.00 0.00 H new ATOM 547 N LEU A 33 -0.773 2.822 11.739 1.00 0.00 N ATOM 548 CA LEU A 33 -1.874 2.196 11.018 1.00 0.00 C ATOM 549 C LEU A 33 -1.456 1.851 9.597 1.00 0.00 C ATOM 550 O LEU A 33 -1.721 0.745 9.112 1.00 0.00 O ATOM 551 CB LEU A 33 -3.080 3.127 10.994 1.00 0.00 C ATOM 552 CG LEU A 33 -3.604 3.584 12.359 1.00 0.00 C ATOM 553 CD1 LEU A 33 -4.696 4.616 12.185 1.00 0.00 C ATOM 554 CD2 LEU A 33 -4.106 2.401 13.175 1.00 0.00 C ATOM 0 H LEU A 33 -0.941 3.796 11.990 1.00 0.00 H new ATOM 0 HA LEU A 33 -2.144 1.275 11.534 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -2.820 4.011 10.413 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -3.891 2.625 10.465 1.00 0.00 H new ATOM 0 HG LEU A 33 -2.779 4.041 12.905 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -5.058 4.931 13.164 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -4.299 5.479 11.650 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -5.519 4.183 11.616 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -4.472 2.753 14.139 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -4.915 1.906 12.638 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -3.290 1.695 13.333 1.00 0.00 H new ATOM 566 N PHE A 34 -0.786 2.790 8.954 1.00 0.00 N ATOM 567 CA PHE A 34 -0.317 2.629 7.595 1.00 0.00 C ATOM 568 C PHE A 34 0.649 1.472 7.490 1.00 0.00 C ATOM 569 O PHE A 34 0.453 0.584 6.681 1.00 0.00 O ATOM 570 CB PHE A 34 0.344 3.927 7.079 1.00 0.00 C ATOM 571 CG PHE A 34 0.951 3.803 5.706 1.00 0.00 C ATOM 572 CD1 PHE A 34 0.152 3.816 4.577 1.00 0.00 C ATOM 573 CD2 PHE A 34 2.326 3.658 5.549 1.00 0.00 C ATOM 574 CE1 PHE A 34 0.709 3.684 3.323 1.00 0.00 C ATOM 575 CE2 PHE A 34 2.882 3.530 4.295 1.00 0.00 C ATOM 576 CZ PHE A 34 2.073 3.540 3.187 1.00 0.00 C ATOM 0 H PHE A 34 -0.551 3.693 9.367 1.00 0.00 H new ATOM 0 HA PHE A 34 -1.183 2.413 6.970 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -0.402 4.721 7.064 1.00 0.00 H new ATOM 0 HB3 PHE A 34 1.120 4.231 7.782 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -0.917 3.931 4.679 1.00 0.00 H new ATOM 0 HD2 PHE A 34 2.964 3.646 6.420 1.00 0.00 H new ATOM 0 HE1 PHE A 34 0.077 3.693 2.447 1.00 0.00 H new ATOM 0 HE2 PHE A 34 3.951 3.422 4.185 1.00 0.00 H new ATOM 0 HZ PHE A 34 2.507 3.435 2.204 1.00 0.00 H new ATOM 586 N SER A 35 1.656 1.460 8.350 1.00 0.00 N ATOM 587 CA SER A 35 2.699 0.458 8.287 1.00 0.00 C ATOM 588 C SER A 35 2.167 -0.959 8.473 1.00 0.00 C ATOM 589 O SER A 35 2.559 -1.878 7.745 1.00 0.00 O ATOM 590 CB SER A 35 3.813 0.777 9.287 1.00 0.00 C ATOM 591 OG SER A 35 3.297 0.986 10.594 1.00 0.00 O ATOM 0 H SER A 35 1.770 2.139 9.103 1.00 0.00 H new ATOM 0 HA SER A 35 3.118 0.493 7.282 1.00 0.00 H new ATOM 0 HB2 SER A 35 4.532 -0.042 9.305 1.00 0.00 H new ATOM 0 HB3 SER A 35 4.352 1.667 8.961 1.00 0.00 H new ATOM 0 HG SER A 35 2.965 1.905 10.672 1.00 0.00 H new ATOM 597 N ARG A 36 1.245 -1.127 9.403 1.00 0.00 N ATOM 598 CA ARG A 36 0.705 -2.436 9.672 1.00 0.00 C ATOM 599 C ARG A 36 -0.256 -2.880 8.569 1.00 0.00 C ATOM 600 O ARG A 36 -0.289 -4.049 8.211 1.00 0.00 O ATOM 601 CB ARG A 36 0.062 -2.498 11.061 1.00 0.00 C ATOM 602 CG ARG A 36 -1.165 -1.639 11.241 1.00 0.00 C ATOM 603 CD ARG A 36 -1.533 -1.502 12.702 1.00 0.00 C ATOM 604 NE ARG A 36 -1.684 -2.798 13.379 1.00 0.00 N ATOM 605 CZ ARG A 36 -2.599 -3.055 14.316 1.00 0.00 C ATOM 606 NH1 ARG A 36 -3.542 -2.161 14.590 1.00 0.00 N ATOM 607 NH2 ARG A 36 -2.580 -4.217 14.955 1.00 0.00 N ATOM 0 H ARG A 36 0.861 -0.377 9.978 1.00 0.00 H new ATOM 0 HA ARG A 36 1.533 -3.145 9.674 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -0.205 -3.533 11.274 1.00 0.00 H new ATOM 0 HB3 ARG A 36 0.805 -2.201 11.801 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -0.986 -0.652 10.815 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -2.000 -2.075 10.693 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -0.766 -0.919 13.211 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -2.465 -0.944 12.786 1.00 0.00 H new ATOM 0 HE ARG A 36 -1.048 -3.550 13.115 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -3.568 -1.276 14.084 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -4.240 -2.360 15.306 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -1.867 -4.911 14.730 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -3.278 -4.416 15.672 1.00 0.00 H new ATOM 621 N ASP A 37 -1.002 -1.931 7.998 1.00 0.00 N ATOM 622 CA ASP A 37 -1.953 -2.257 6.920 1.00 0.00 C ATOM 623 C ASP A 37 -1.165 -2.607 5.670 1.00 0.00 C ATOM 624 O ASP A 37 -1.481 -3.551 4.952 1.00 0.00 O ATOM 625 CB ASP A 37 -2.866 -1.068 6.635 1.00 0.00 C ATOM 626 CG ASP A 37 -4.097 -1.438 5.821 1.00 0.00 C ATOM 627 OD1 ASP A 37 -3.993 -1.721 4.625 1.00 0.00 O ATOM 628 OD2 ASP A 37 -5.219 -1.427 6.400 1.00 0.00 O ATOM 0 H ASP A 37 -0.971 -0.944 8.255 1.00 0.00 H new ATOM 0 HA ASP A 37 -2.573 -3.100 7.225 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -3.183 -0.627 7.580 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -2.301 -0.304 6.100 1.00 0.00 H new ATOM 633 N LEU A 38 -0.111 -1.836 5.454 1.00 0.00 N ATOM 634 CA LEU A 38 0.840 -2.026 4.371 1.00 0.00 C ATOM 635 C LEU A 38 1.476 -3.400 4.443 1.00 0.00 C ATOM 636 O LEU A 38 1.543 -4.106 3.441 1.00 0.00 O ATOM 637 CB LEU A 38 1.903 -0.912 4.447 1.00 0.00 C ATOM 638 CG LEU A 38 3.215 -1.076 3.669 1.00 0.00 C ATOM 639 CD1 LEU A 38 2.988 -1.313 2.198 1.00 0.00 C ATOM 640 CD2 LEU A 38 4.072 0.153 3.869 1.00 0.00 C ATOM 0 H LEU A 38 0.113 -1.036 6.046 1.00 0.00 H new ATOM 0 HA LEU A 38 0.323 -1.966 3.414 1.00 0.00 H new ATOM 0 HB2 LEU A 38 1.434 0.012 4.109 1.00 0.00 H new ATOM 0 HB3 LEU A 38 2.159 -0.774 5.497 1.00 0.00 H new ATOM 0 HG LEU A 38 3.723 -1.958 4.058 1.00 0.00 H new ATOM 0 HD11 LEU A 38 3.949 -1.422 1.695 1.00 0.00 H new ATOM 0 HD12 LEU A 38 2.402 -2.222 2.062 1.00 0.00 H new ATOM 0 HD13 LEU A 38 2.449 -0.467 1.772 1.00 0.00 H new ATOM 0 HD21 LEU A 38 5.005 0.040 3.317 1.00 0.00 H new ATOM 0 HD22 LEU A 38 3.539 1.031 3.504 1.00 0.00 H new ATOM 0 HD23 LEU A 38 4.290 0.276 4.930 1.00 0.00 H new ATOM 652 N ASP A 39 1.921 -3.775 5.628 1.00 0.00 N ATOM 653 CA ASP A 39 2.548 -5.072 5.832 1.00 0.00 C ATOM 654 C ASP A 39 1.574 -6.185 5.490 1.00 0.00 C ATOM 655 O ASP A 39 1.906 -7.102 4.752 1.00 0.00 O ATOM 656 CB ASP A 39 3.047 -5.216 7.263 1.00 0.00 C ATOM 657 CG ASP A 39 3.787 -6.504 7.492 1.00 0.00 C ATOM 658 OD1 ASP A 39 4.839 -6.709 6.862 1.00 0.00 O ATOM 659 OD2 ASP A 39 3.374 -7.299 8.351 1.00 0.00 O ATOM 0 H ASP A 39 1.860 -3.199 6.468 1.00 0.00 H new ATOM 0 HA ASP A 39 3.409 -5.146 5.168 1.00 0.00 H new ATOM 0 HB2 ASP A 39 3.702 -4.378 7.501 1.00 0.00 H new ATOM 0 HB3 ASP A 39 2.199 -5.162 7.946 1.00 0.00 H new ATOM 664 N LYS A 40 0.347 -6.042 5.972 1.00 0.00 N ATOM 665 CA LYS A 40 -0.717 -6.999 5.700 1.00 0.00 C ATOM 666 C LYS A 40 -1.060 -7.068 4.218 1.00 0.00 C ATOM 667 O LYS A 40 -1.351 -8.142 3.698 1.00 0.00 O ATOM 668 CB LYS A 40 -1.948 -6.677 6.528 1.00 0.00 C ATOM 669 CG LYS A 40 -1.724 -6.896 8.001 1.00 0.00 C ATOM 670 CD LYS A 40 -2.900 -6.460 8.836 1.00 0.00 C ATOM 671 CE LYS A 40 -2.666 -6.786 10.302 1.00 0.00 C ATOM 672 NZ LYS A 40 -2.534 -8.247 10.542 1.00 0.00 N ATOM 0 H LYS A 40 0.061 -5.260 6.562 1.00 0.00 H new ATOM 0 HA LYS A 40 -0.351 -7.984 5.988 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -2.236 -5.640 6.358 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -2.780 -7.297 6.194 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -1.526 -7.953 8.182 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -0.836 -6.347 8.315 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -3.060 -5.388 8.717 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -3.805 -6.958 8.487 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -1.763 -6.281 10.644 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -3.493 -6.396 10.895 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -2.681 -8.448 11.552 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -3.246 -8.757 9.980 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -1.583 -8.560 10.262 1.00 0.00 H new ATOM 686 N LEU A 41 -1.009 -5.932 3.546 1.00 0.00 N ATOM 687 CA LEU A 41 -1.244 -5.866 2.115 1.00 0.00 C ATOM 688 C LEU A 41 -0.170 -6.665 1.377 1.00 0.00 C ATOM 689 O LEU A 41 -0.460 -7.383 0.418 1.00 0.00 O ATOM 690 CB LEU A 41 -1.254 -4.407 1.640 1.00 0.00 C ATOM 691 CG LEU A 41 -1.474 -4.181 0.137 1.00 0.00 C ATOM 692 CD1 LEU A 41 -2.815 -4.741 -0.310 1.00 0.00 C ATOM 693 CD2 LEU A 41 -1.364 -2.705 -0.198 1.00 0.00 C ATOM 0 H LEU A 41 -0.804 -5.030 3.976 1.00 0.00 H new ATOM 0 HA LEU A 41 -2.219 -6.301 1.895 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -2.035 -3.876 2.184 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -0.305 -3.950 1.919 1.00 0.00 H new ATOM 0 HG LEU A 41 -0.695 -4.716 -0.406 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -2.944 -4.567 -1.378 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -2.847 -5.812 -0.110 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -3.617 -4.246 0.238 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -1.522 -2.562 -1.267 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -2.118 -2.148 0.358 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -0.372 -2.343 0.074 1.00 0.00 H new ATOM 705 N ILE A 42 1.052 -6.560 1.854 1.00 0.00 N ATOM 706 CA ILE A 42 2.154 -7.311 1.294 1.00 0.00 C ATOM 707 C ILE A 42 1.917 -8.794 1.542 1.00 0.00 C ATOM 708 O ILE A 42 1.864 -9.574 0.596 1.00 0.00 O ATOM 709 CB ILE A 42 3.528 -6.880 1.889 1.00 0.00 C ATOM 710 CG1 ILE A 42 3.784 -5.399 1.612 1.00 0.00 C ATOM 711 CG2 ILE A 42 4.663 -7.724 1.308 1.00 0.00 C ATOM 712 CD1 ILE A 42 5.071 -4.872 2.202 1.00 0.00 C ATOM 0 H ILE A 42 1.308 -5.956 2.635 1.00 0.00 H new ATOM 0 HA ILE A 42 2.195 -7.106 0.224 1.00 0.00 H new ATOM 0 HB ILE A 42 3.496 -7.041 2.967 1.00 0.00 H new ATOM 0 HG12 ILE A 42 3.800 -5.240 0.534 1.00 0.00 H new ATOM 0 HG13 ILE A 42 2.951 -4.818 2.008 1.00 0.00 H new ATOM 0 HG21 ILE A 42 5.612 -7.404 1.739 1.00 0.00 H new ATOM 0 HG22 ILE A 42 4.493 -8.774 1.544 1.00 0.00 H new ATOM 0 HG23 ILE A 42 4.694 -7.596 0.226 1.00 0.00 H new ATOM 0 HD11 ILE A 42 5.176 -3.815 1.960 1.00 0.00 H new ATOM 0 HD12 ILE A 42 5.052 -4.996 3.285 1.00 0.00 H new ATOM 0 HD13 ILE A 42 5.914 -5.425 1.788 1.00 0.00 H new ATOM 724 N ASN A 43 1.696 -9.155 2.817 1.00 0.00 N ATOM 725 CA ASN A 43 1.445 -10.556 3.250 1.00 0.00 C ATOM 726 C ASN A 43 0.319 -11.177 2.424 1.00 0.00 C ATOM 727 O ASN A 43 0.374 -12.357 2.053 1.00 0.00 O ATOM 728 CB ASN A 43 1.022 -10.650 4.741 1.00 0.00 C ATOM 729 CG ASN A 43 1.927 -9.963 5.765 1.00 0.00 C ATOM 730 OD1 ASN A 43 1.455 -9.575 6.841 1.00 0.00 O ATOM 731 ND2 ASN A 43 3.193 -9.778 5.464 1.00 0.00 N ATOM 0 H ASN A 43 1.685 -8.486 3.587 1.00 0.00 H new ATOM 0 HA ASN A 43 2.386 -11.087 3.106 1.00 0.00 H new ATOM 0 HB2 ASN A 43 0.022 -10.228 4.836 1.00 0.00 H new ATOM 0 HB3 ASN A 43 0.950 -11.705 5.007 1.00 0.00 H new ATOM 0 HD21 ASN A 43 3.810 -9.305 6.124 1.00 0.00 H new ATOM 0 HD22 ASN A 43 3.558 -10.107 4.570 1.00 0.00 H new ATOM 738 N LYS A 44 -0.685 -10.356 2.136 1.00 0.00 N ATOM 739 CA LYS A 44 -1.850 -10.728 1.341 1.00 0.00 C ATOM 740 C LYS A 44 -1.420 -11.218 -0.037 1.00 0.00 C ATOM 741 O LYS A 44 -1.834 -12.292 -0.484 1.00 0.00 O ATOM 742 CB LYS A 44 -2.747 -9.495 1.174 1.00 0.00 C ATOM 743 CG LYS A 44 -4.006 -9.709 0.344 1.00 0.00 C ATOM 744 CD LYS A 44 -4.640 -8.381 -0.044 1.00 0.00 C ATOM 745 CE LYS A 44 -5.147 -7.602 1.161 1.00 0.00 C ATOM 746 NZ LYS A 44 -6.272 -8.278 1.832 1.00 0.00 N ATOM 0 H LYS A 44 -0.712 -9.388 2.457 1.00 0.00 H new ATOM 0 HA LYS A 44 -2.388 -11.528 1.849 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -3.040 -9.144 2.163 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -2.160 -8.700 0.714 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -3.761 -10.275 -0.555 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -4.721 -10.305 0.910 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -3.909 -7.777 -0.582 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -5.468 -8.564 -0.729 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -4.332 -7.466 1.872 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -5.461 -6.608 0.842 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -6.670 -7.650 2.559 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -7.007 -8.507 1.132 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -5.934 -9.154 2.278 1.00 0.00 H new ATOM 760 N PHE A 45 -0.576 -10.447 -0.690 1.00 0.00 N ATOM 761 CA PHE A 45 -0.104 -10.782 -2.012 1.00 0.00 C ATOM 762 C PHE A 45 0.920 -11.881 -1.999 1.00 0.00 C ATOM 763 O PHE A 45 0.942 -12.715 -2.898 1.00 0.00 O ATOM 764 CB PHE A 45 0.373 -9.552 -2.774 1.00 0.00 C ATOM 765 CG PHE A 45 -0.777 -8.774 -3.317 1.00 0.00 C ATOM 766 CD1 PHE A 45 -1.408 -7.804 -2.563 1.00 0.00 C ATOM 767 CD2 PHE A 45 -1.253 -9.048 -4.581 1.00 0.00 C ATOM 768 CE1 PHE A 45 -2.493 -7.120 -3.065 1.00 0.00 C ATOM 769 CE2 PHE A 45 -2.331 -8.368 -5.087 1.00 0.00 C ATOM 770 CZ PHE A 45 -2.957 -7.404 -4.328 1.00 0.00 C ATOM 0 H PHE A 45 -0.201 -9.574 -0.319 1.00 0.00 H new ATOM 0 HA PHE A 45 -0.961 -11.177 -2.557 1.00 0.00 H new ATOM 0 HB2 PHE A 45 0.964 -8.918 -2.113 1.00 0.00 H new ATOM 0 HB3 PHE A 45 1.026 -9.858 -3.591 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -1.047 -7.580 -1.570 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -0.772 -9.807 -5.180 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -2.978 -6.362 -2.468 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -2.690 -8.589 -6.082 1.00 0.00 H new ATOM 0 HZ PHE A 45 -3.810 -6.873 -4.724 1.00 0.00 H new ATOM 780 N MET A 46 1.724 -11.926 -0.948 1.00 0.00 N ATOM 781 CA MET A 46 2.757 -12.964 -0.805 1.00 0.00 C ATOM 782 C MET A 46 2.090 -14.327 -0.652 1.00 0.00 C ATOM 783 O MET A 46 2.672 -15.367 -1.006 1.00 0.00 O ATOM 784 CB MET A 46 3.631 -12.718 0.438 1.00 0.00 C ATOM 785 CG MET A 46 4.237 -11.330 0.546 1.00 0.00 C ATOM 786 SD MET A 46 5.299 -11.132 1.986 1.00 0.00 S ATOM 787 CE MET A 46 6.665 -12.175 1.522 1.00 0.00 C ATOM 0 H MET A 46 1.688 -11.260 -0.176 1.00 0.00 H new ATOM 0 HA MET A 46 3.385 -12.933 -1.695 1.00 0.00 H new ATOM 0 HB2 MET A 46 3.028 -12.902 1.327 1.00 0.00 H new ATOM 0 HB3 MET A 46 4.439 -13.450 0.443 1.00 0.00 H new ATOM 0 HG2 MET A 46 4.814 -11.121 -0.355 1.00 0.00 H new ATOM 0 HG3 MET A 46 3.435 -10.593 0.589 1.00 0.00 H new ATOM 0 HE1 MET A 46 7.476 -12.054 2.240 1.00 0.00 H new ATOM 0 HE2 MET A 46 6.341 -13.216 1.512 1.00 0.00 H new ATOM 0 HE3 MET A 46 7.016 -11.895 0.529 1.00 0.00 H new ATOM 1151 N LEU B 6 9.526 14.745 -2.492 1.00 0.00 N ATOM 1152 CA LEU B 6 8.973 13.867 -1.498 1.00 0.00 C ATOM 1153 C LEU B 6 8.129 12.798 -2.191 1.00 0.00 C ATOM 1154 O LEU B 6 8.338 11.603 -1.978 1.00 0.00 O ATOM 1155 CB LEU B 6 8.178 14.718 -0.458 1.00 0.00 C ATOM 1156 CG LEU B 6 7.413 14.016 0.690 1.00 0.00 C ATOM 1157 CD1 LEU B 6 6.082 13.470 0.221 1.00 0.00 C ATOM 1158 CD2 LEU B 6 8.245 12.902 1.311 1.00 0.00 C ATOM 0 HA LEU B 6 9.752 13.341 -0.946 1.00 0.00 H new ATOM 0 HB2 LEU B 6 8.882 15.413 -0.001 1.00 0.00 H new ATOM 0 HB3 LEU B 6 7.454 15.315 -1.013 1.00 0.00 H new ATOM 0 HG LEU B 6 7.223 14.772 1.452 1.00 0.00 H new ATOM 0 HD11 LEU B 6 5.574 12.984 1.054 1.00 0.00 H new ATOM 0 HD12 LEU B 6 5.465 14.287 -0.154 1.00 0.00 H new ATOM 0 HD13 LEU B 6 6.247 12.745 -0.576 1.00 0.00 H new ATOM 0 HD21 LEU B 6 7.679 12.429 2.114 1.00 0.00 H new ATOM 0 HD22 LEU B 6 8.485 12.159 0.550 1.00 0.00 H new ATOM 0 HD23 LEU B 6 9.168 13.319 1.714 1.00 0.00 H new ATOM 1170 N LYS B 7 7.209 13.236 -3.041 1.00 0.00 N ATOM 1171 CA LYS B 7 6.358 12.333 -3.795 1.00 0.00 C ATOM 1172 C LYS B 7 7.161 11.464 -4.725 1.00 0.00 C ATOM 1173 O LYS B 7 6.845 10.298 -4.905 1.00 0.00 O ATOM 1174 CB LYS B 7 5.259 13.088 -4.550 1.00 0.00 C ATOM 1175 CG LYS B 7 3.879 12.904 -3.936 1.00 0.00 C ATOM 1176 CD LYS B 7 3.375 11.472 -4.122 1.00 0.00 C ATOM 1177 CE LYS B 7 2.925 11.211 -5.548 1.00 0.00 C ATOM 1178 NZ LYS B 7 1.748 12.030 -5.930 1.00 0.00 N ATOM 0 H LYS B 7 7.034 14.224 -3.225 1.00 0.00 H new ATOM 0 HA LYS B 7 5.868 11.678 -3.074 1.00 0.00 H new ATOM 0 HB2 LYS B 7 5.503 14.150 -4.569 1.00 0.00 H new ATOM 0 HB3 LYS B 7 5.238 12.748 -5.585 1.00 0.00 H new ATOM 0 HG2 LYS B 7 3.916 13.144 -2.873 1.00 0.00 H new ATOM 0 HG3 LYS B 7 3.178 13.601 -4.395 1.00 0.00 H new ATOM 0 HD2 LYS B 7 4.167 10.771 -3.857 1.00 0.00 H new ATOM 0 HD3 LYS B 7 2.545 11.288 -3.440 1.00 0.00 H new ATOM 0 HE2 LYS B 7 3.748 11.423 -6.230 1.00 0.00 H new ATOM 0 HE3 LYS B 7 2.681 10.155 -5.661 1.00 0.00 H new ATOM 0 HZ1 LYS B 7 1.295 11.616 -6.770 1.00 0.00 H new ATOM 0 HZ2 LYS B 7 1.068 12.049 -5.143 1.00 0.00 H new ATOM 0 HZ3 LYS B 7 2.055 13.000 -6.145 1.00 0.00 H new ATOM 1192 N ASN B 8 8.211 12.029 -5.294 1.00 0.00 N ATOM 1193 CA ASN B 8 9.114 11.269 -6.143 1.00 0.00 C ATOM 1194 C ASN B 8 9.746 10.141 -5.357 1.00 0.00 C ATOM 1195 O ASN B 8 9.801 9.010 -5.837 1.00 0.00 O ATOM 1196 CB ASN B 8 10.189 12.165 -6.776 1.00 0.00 C ATOM 1197 CG ASN B 8 11.214 11.382 -7.597 1.00 0.00 C ATOM 1198 OD1 ASN B 8 11.002 11.109 -8.781 1.00 0.00 O ATOM 1199 ND2 ASN B 8 12.342 11.080 -7.005 1.00 0.00 N ATOM 0 H ASN B 8 8.460 13.012 -5.184 1.00 0.00 H new ATOM 0 HA ASN B 8 8.529 10.844 -6.958 1.00 0.00 H new ATOM 0 HB2 ASN B 8 9.707 12.904 -7.416 1.00 0.00 H new ATOM 0 HB3 ASN B 8 10.706 12.714 -5.989 1.00 0.00 H new ATOM 0 HD21 ASN B 8 13.079 10.604 -7.525 1.00 0.00 H new ATOM 0 HD22 ASN B 8 12.484 11.321 -6.024 1.00 0.00 H new ATOM 1206 N LYS B 9 10.195 10.443 -4.133 1.00 0.00 N ATOM 1207 CA LYS B 9 10.745 9.417 -3.269 1.00 0.00 C ATOM 1208 C LYS B 9 9.705 8.374 -2.936 1.00 0.00 C ATOM 1209 O LYS B 9 9.979 7.191 -3.055 1.00 0.00 O ATOM 1210 CB LYS B 9 11.365 9.967 -1.983 1.00 0.00 C ATOM 1211 CG LYS B 9 12.719 10.632 -2.153 1.00 0.00 C ATOM 1212 CD LYS B 9 13.375 10.896 -0.800 1.00 0.00 C ATOM 1213 CE LYS B 9 12.636 11.951 -0.001 1.00 0.00 C ATOM 1214 NZ LYS B 9 12.770 13.276 -0.622 1.00 0.00 N ATOM 0 H LYS B 9 10.185 11.380 -3.731 1.00 0.00 H new ATOM 0 HA LYS B 9 11.554 8.957 -3.837 1.00 0.00 H new ATOM 0 HB2 LYS B 9 10.675 10.689 -1.546 1.00 0.00 H new ATOM 0 HB3 LYS B 9 11.466 9.150 -1.269 1.00 0.00 H new ATOM 0 HG2 LYS B 9 13.367 9.996 -2.757 1.00 0.00 H new ATOM 0 HG3 LYS B 9 12.601 11.571 -2.693 1.00 0.00 H new ATOM 0 HD2 LYS B 9 13.411 9.969 -0.228 1.00 0.00 H new ATOM 0 HD3 LYS B 9 14.406 11.215 -0.954 1.00 0.00 H new ATOM 0 HE2 LYS B 9 11.581 11.685 0.071 1.00 0.00 H new ATOM 0 HE3 LYS B 9 13.027 11.981 1.016 1.00 0.00 H new ATOM 0 HZ1 LYS B 9 12.451 14.006 0.046 1.00 0.00 H new ATOM 0 HZ2 LYS B 9 13.766 13.444 -0.869 1.00 0.00 H new ATOM 0 HZ3 LYS B 9 12.188 13.316 -1.483 1.00 0.00 H new ATOM 1228 N ILE B 10 8.523 8.822 -2.498 1.00 0.00 N ATOM 1229 CA ILE B 10 7.397 7.921 -2.222 1.00 0.00 C ATOM 1230 C ILE B 10 7.146 6.981 -3.399 1.00 0.00 C ATOM 1231 O ILE B 10 7.167 5.772 -3.219 1.00 0.00 O ATOM 1232 CB ILE B 10 6.079 8.687 -1.852 1.00 0.00 C ATOM 1233 CG1 ILE B 10 6.247 9.399 -0.507 1.00 0.00 C ATOM 1234 CG2 ILE B 10 4.876 7.734 -1.802 1.00 0.00 C ATOM 1235 CD1 ILE B 10 5.031 10.170 -0.042 1.00 0.00 C ATOM 0 H ILE B 10 8.320 9.807 -2.326 1.00 0.00 H new ATOM 0 HA ILE B 10 7.684 7.334 -1.350 1.00 0.00 H new ATOM 0 HB ILE B 10 5.888 9.428 -2.629 1.00 0.00 H new ATOM 0 HG12 ILE B 10 6.502 8.658 0.251 1.00 0.00 H new ATOM 0 HG13 ILE B 10 7.090 10.086 -0.578 1.00 0.00 H new ATOM 0 HG21 ILE B 10 3.978 8.295 -1.543 1.00 0.00 H new ATOM 0 HG22 ILE B 10 4.743 7.265 -2.777 1.00 0.00 H new ATOM 0 HG23 ILE B 10 5.052 6.964 -1.050 1.00 0.00 H new ATOM 0 HD11 ILE B 10 5.244 10.640 0.918 1.00 0.00 H new ATOM 0 HD12 ILE B 10 4.785 10.938 -0.775 1.00 0.00 H new ATOM 0 HD13 ILE B 10 4.188 9.488 0.067 1.00 0.00 H new ATOM 1247 N GLU B 11 6.962 7.540 -4.594 1.00 0.00 N ATOM 1248 CA GLU B 11 6.719 6.738 -5.785 1.00 0.00 C ATOM 1249 C GLU B 11 7.867 5.771 -6.036 1.00 0.00 C ATOM 1250 O GLU B 11 7.658 4.567 -6.093 1.00 0.00 O ATOM 1251 CB GLU B 11 6.493 7.608 -7.033 1.00 0.00 C ATOM 1252 CG GLU B 11 5.256 8.499 -6.985 1.00 0.00 C ATOM 1253 CD GLU B 11 3.979 7.723 -6.771 1.00 0.00 C ATOM 1254 OE1 GLU B 11 3.552 6.947 -7.668 1.00 0.00 O ATOM 1255 OE2 GLU B 11 3.354 7.876 -5.716 1.00 0.00 O ATOM 0 H GLU B 11 6.977 8.546 -4.760 1.00 0.00 H new ATOM 0 HA GLU B 11 5.807 6.171 -5.598 1.00 0.00 H new ATOM 0 HB2 GLU B 11 7.370 8.238 -7.181 1.00 0.00 H new ATOM 0 HB3 GLU B 11 6.418 6.956 -7.903 1.00 0.00 H new ATOM 0 HG2 GLU B 11 5.371 9.228 -6.183 1.00 0.00 H new ATOM 0 HG3 GLU B 11 5.182 9.060 -7.917 1.00 0.00 H new ATOM 1262 N ASN B 12 9.074 6.301 -6.129 1.00 0.00 N ATOM 1263 CA ASN B 12 10.270 5.500 -6.417 1.00 0.00 C ATOM 1264 C ASN B 12 10.509 4.389 -5.397 1.00 0.00 C ATOM 1265 O ASN B 12 10.719 3.237 -5.771 1.00 0.00 O ATOM 1266 CB ASN B 12 11.526 6.395 -6.554 1.00 0.00 C ATOM 1267 CG ASN B 12 12.819 5.590 -6.521 1.00 0.00 C ATOM 1268 OD1 ASN B 12 13.277 5.063 -7.549 1.00 0.00 O ATOM 1269 ND2 ASN B 12 13.450 5.548 -5.367 1.00 0.00 N ATOM 0 H ASN B 12 9.262 7.296 -6.009 1.00 0.00 H new ATOM 0 HA ASN B 12 10.081 5.012 -7.373 1.00 0.00 H new ATOM 0 HB2 ASN B 12 11.472 6.952 -7.489 1.00 0.00 H new ATOM 0 HB3 ASN B 12 11.537 7.128 -5.747 1.00 0.00 H new ATOM 0 HD21 ASN B 12 14.348 5.070 -5.294 1.00 0.00 H new ATOM 0 HD22 ASN B 12 13.041 5.993 -4.546 1.00 0.00 H new ATOM 1276 N LYS B 13 10.429 4.725 -4.128 1.00 0.00 N ATOM 1277 CA LYS B 13 10.728 3.782 -3.062 1.00 0.00 C ATOM 1278 C LYS B 13 9.661 2.683 -3.016 1.00 0.00 C ATOM 1279 O LYS B 13 9.969 1.508 -2.785 1.00 0.00 O ATOM 1280 CB LYS B 13 10.825 4.520 -1.724 1.00 0.00 C ATOM 1281 CG LYS B 13 11.534 3.757 -0.621 1.00 0.00 C ATOM 1282 CD LYS B 13 12.993 3.450 -0.988 1.00 0.00 C ATOM 1283 CE LYS B 13 13.860 4.691 -1.146 1.00 0.00 C ATOM 1284 NZ LYS B 13 14.081 5.406 0.135 1.00 0.00 N ATOM 0 H LYS B 13 10.157 5.653 -3.803 1.00 0.00 H new ATOM 0 HA LYS B 13 11.690 3.308 -3.258 1.00 0.00 H new ATOM 0 HB2 LYS B 13 11.345 5.464 -1.884 1.00 0.00 H new ATOM 0 HB3 LYS B 13 9.818 4.764 -1.387 1.00 0.00 H new ATOM 0 HG2 LYS B 13 11.506 4.339 0.300 1.00 0.00 H new ATOM 0 HG3 LYS B 13 11.004 2.825 -0.425 1.00 0.00 H new ATOM 0 HD2 LYS B 13 13.425 2.812 -0.217 1.00 0.00 H new ATOM 0 HD3 LYS B 13 13.012 2.883 -1.919 1.00 0.00 H new ATOM 0 HE2 LYS B 13 14.823 4.404 -1.567 1.00 0.00 H new ATOM 0 HE3 LYS B 13 13.390 5.369 -1.858 1.00 0.00 H new ATOM 0 HZ1 LYS B 13 14.677 6.242 -0.032 1.00 0.00 H new ATOM 0 HZ2 LYS B 13 13.166 5.706 0.527 1.00 0.00 H new ATOM 0 HZ3 LYS B 13 14.555 4.772 0.809 1.00 0.00 H new ATOM 1298 N LYS B 14 8.427 3.085 -3.255 1.00 0.00 N ATOM 1299 CA LYS B 14 7.297 2.198 -3.376 1.00 0.00 C ATOM 1300 C LYS B 14 7.546 1.232 -4.518 1.00 0.00 C ATOM 1301 O LYS B 14 7.394 0.037 -4.365 1.00 0.00 O ATOM 1302 CB LYS B 14 6.059 3.044 -3.672 1.00 0.00 C ATOM 1303 CG LYS B 14 4.766 2.296 -3.910 1.00 0.00 C ATOM 1304 CD LYS B 14 3.628 3.265 -4.211 1.00 0.00 C ATOM 1305 CE LYS B 14 3.819 3.984 -5.534 1.00 0.00 C ATOM 1306 NZ LYS B 14 2.820 5.055 -5.738 1.00 0.00 N ATOM 0 H LYS B 14 8.181 4.068 -3.373 1.00 0.00 H new ATOM 0 HA LYS B 14 7.150 1.631 -2.457 1.00 0.00 H new ATOM 0 HB2 LYS B 14 5.907 3.729 -2.838 1.00 0.00 H new ATOM 0 HB3 LYS B 14 6.266 3.654 -4.551 1.00 0.00 H new ATOM 0 HG2 LYS B 14 4.889 1.603 -4.742 1.00 0.00 H new ATOM 0 HG3 LYS B 14 4.519 1.699 -3.032 1.00 0.00 H new ATOM 0 HD2 LYS B 14 2.684 2.720 -4.229 1.00 0.00 H new ATOM 0 HD3 LYS B 14 3.557 3.999 -3.408 1.00 0.00 H new ATOM 0 HE2 LYS B 14 4.821 4.412 -5.571 1.00 0.00 H new ATOM 0 HE3 LYS B 14 3.749 3.264 -6.350 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 2.936 5.461 -6.688 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 1.863 4.659 -5.645 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 2.958 5.799 -5.025 1.00 0.00 H new ATOM 1320 N LYS B 15 7.962 1.770 -5.656 1.00 0.00 N ATOM 1321 CA LYS B 15 8.239 0.973 -6.843 1.00 0.00 C ATOM 1322 C LYS B 15 9.380 -0.009 -6.601 1.00 0.00 C ATOM 1323 O LYS B 15 9.297 -1.169 -7.024 1.00 0.00 O ATOM 1324 CB LYS B 15 8.505 1.866 -8.052 1.00 0.00 C ATOM 1325 CG LYS B 15 7.314 2.734 -8.437 1.00 0.00 C ATOM 1326 CD LYS B 15 7.625 3.727 -9.566 1.00 0.00 C ATOM 1327 CE LYS B 15 7.580 3.118 -10.979 1.00 0.00 C ATOM 1328 NZ LYS B 15 8.546 2.015 -11.215 1.00 0.00 N ATOM 0 H LYS B 15 8.117 2.770 -5.782 1.00 0.00 H new ATOM 0 HA LYS B 15 7.351 0.381 -7.063 1.00 0.00 H new ATOM 0 HB2 LYS B 15 9.359 2.508 -7.839 1.00 0.00 H new ATOM 0 HB3 LYS B 15 8.780 1.242 -8.902 1.00 0.00 H new ATOM 0 HG2 LYS B 15 6.489 2.091 -8.745 1.00 0.00 H new ATOM 0 HG3 LYS B 15 6.977 3.286 -7.560 1.00 0.00 H new ATOM 0 HD2 LYS B 15 6.913 4.550 -9.516 1.00 0.00 H new ATOM 0 HD3 LYS B 15 8.615 4.151 -9.398 1.00 0.00 H new ATOM 0 HE2 LYS B 15 6.573 2.746 -11.167 1.00 0.00 H new ATOM 0 HE3 LYS B 15 7.768 3.908 -11.706 1.00 0.00 H new ATOM 0 HZ1 LYS B 15 8.719 1.917 -12.236 1.00 0.00 H new ATOM 0 HZ2 LYS B 15 9.441 2.228 -10.731 1.00 0.00 H new ATOM 0 HZ3 LYS B 15 8.155 1.126 -10.844 1.00 0.00 H new ATOM 1342 N GLU B 16 10.423 0.444 -5.894 1.00 0.00 N ATOM 1343 CA GLU B 16 11.533 -0.425 -5.500 1.00 0.00 C ATOM 1344 C GLU B 16 11.020 -1.597 -4.676 1.00 0.00 C ATOM 1345 O GLU B 16 11.440 -2.746 -4.869 1.00 0.00 O ATOM 1346 CB GLU B 16 12.605 0.340 -4.703 1.00 0.00 C ATOM 1347 CG GLU B 16 13.416 1.338 -5.512 1.00 0.00 C ATOM 1348 CD GLU B 16 14.515 1.968 -4.689 1.00 0.00 C ATOM 1349 OE1 GLU B 16 15.253 1.223 -3.999 1.00 0.00 O ATOM 1350 OE2 GLU B 16 14.707 3.199 -4.749 1.00 0.00 O ATOM 0 H GLU B 16 10.519 1.411 -5.584 1.00 0.00 H new ATOM 0 HA GLU B 16 11.995 -0.796 -6.415 1.00 0.00 H new ATOM 0 HB2 GLU B 16 12.118 0.869 -3.884 1.00 0.00 H new ATOM 0 HB3 GLU B 16 13.288 -0.382 -4.255 1.00 0.00 H new ATOM 0 HG2 GLU B 16 13.851 0.836 -6.376 1.00 0.00 H new ATOM 0 HG3 GLU B 16 12.756 2.117 -5.894 1.00 0.00 H new ATOM 1357 N LEU B 17 10.092 -1.299 -3.795 1.00 0.00 N ATOM 1358 CA LEU B 17 9.475 -2.284 -2.943 1.00 0.00 C ATOM 1359 C LEU B 17 8.584 -3.223 -3.743 1.00 0.00 C ATOM 1360 O LEU B 17 8.627 -4.433 -3.538 1.00 0.00 O ATOM 1361 CB LEU B 17 8.716 -1.577 -1.785 1.00 0.00 C ATOM 1362 CG LEU B 17 7.728 -2.395 -0.920 1.00 0.00 C ATOM 1363 CD1 LEU B 17 6.401 -2.615 -1.599 1.00 0.00 C ATOM 1364 CD2 LEU B 17 8.344 -3.688 -0.413 1.00 0.00 C ATOM 0 H LEU B 17 9.741 -0.352 -3.650 1.00 0.00 H new ATOM 0 HA LEU B 17 10.249 -2.909 -2.497 1.00 0.00 H new ATOM 0 HB2 LEU B 17 9.463 -1.151 -1.115 1.00 0.00 H new ATOM 0 HB3 LEU B 17 8.162 -0.744 -2.217 1.00 0.00 H new ATOM 0 HG LEU B 17 7.516 -1.786 -0.041 1.00 0.00 H new ATOM 0 HD11 LEU B 17 5.749 -3.194 -0.945 1.00 0.00 H new ATOM 0 HD12 LEU B 17 5.937 -1.652 -1.812 1.00 0.00 H new ATOM 0 HD13 LEU B 17 6.555 -3.158 -2.531 1.00 0.00 H new ATOM 0 HD21 LEU B 17 7.613 -4.228 0.189 1.00 0.00 H new ATOM 0 HD22 LEU B 17 8.643 -4.305 -1.260 1.00 0.00 H new ATOM 0 HD23 LEU B 17 9.218 -3.460 0.196 1.00 0.00 H new ATOM 1376 N ILE B 18 7.779 -2.665 -4.631 1.00 0.00 N ATOM 1377 CA ILE B 18 6.858 -3.448 -5.449 1.00 0.00 C ATOM 1378 C ILE B 18 7.617 -4.526 -6.200 1.00 0.00 C ATOM 1379 O ILE B 18 7.199 -5.666 -6.238 1.00 0.00 O ATOM 1380 CB ILE B 18 6.073 -2.557 -6.457 1.00 0.00 C ATOM 1381 CG1 ILE B 18 5.181 -1.573 -5.702 1.00 0.00 C ATOM 1382 CG2 ILE B 18 5.229 -3.414 -7.423 1.00 0.00 C ATOM 1383 CD1 ILE B 18 4.619 -0.473 -6.566 1.00 0.00 C ATOM 0 H ILE B 18 7.742 -1.661 -4.808 1.00 0.00 H new ATOM 0 HA ILE B 18 6.133 -3.908 -4.777 1.00 0.00 H new ATOM 0 HB ILE B 18 6.797 -1.999 -7.051 1.00 0.00 H new ATOM 0 HG12 ILE B 18 4.356 -2.121 -5.246 1.00 0.00 H new ATOM 0 HG13 ILE B 18 5.755 -1.127 -4.890 1.00 0.00 H new ATOM 0 HG21 ILE B 18 4.693 -2.763 -8.114 1.00 0.00 H new ATOM 0 HG22 ILE B 18 5.884 -4.080 -7.986 1.00 0.00 H new ATOM 0 HG23 ILE B 18 4.513 -4.006 -6.853 1.00 0.00 H new ATOM 0 HD11 ILE B 18 3.997 0.185 -5.959 1.00 0.00 H new ATOM 0 HD12 ILE B 18 5.437 0.101 -7.001 1.00 0.00 H new ATOM 0 HD13 ILE B 18 4.017 -0.908 -7.363 1.00 0.00 H new ATOM 1395 N GLN B 19 8.766 -4.152 -6.733 1.00 0.00 N ATOM 1396 CA GLN B 19 9.615 -5.070 -7.469 1.00 0.00 C ATOM 1397 C GLN B 19 10.170 -6.166 -6.548 1.00 0.00 C ATOM 1398 O GLN B 19 10.361 -7.302 -6.972 1.00 0.00 O ATOM 1399 CB GLN B 19 10.738 -4.313 -8.171 1.00 0.00 C ATOM 1400 CG GLN B 19 10.235 -3.289 -9.178 1.00 0.00 C ATOM 1401 CD GLN B 19 11.354 -2.549 -9.874 1.00 0.00 C ATOM 1402 OE1 GLN B 19 11.820 -1.514 -9.399 1.00 0.00 O ATOM 1403 NE2 GLN B 19 11.772 -3.044 -11.000 1.00 0.00 N ATOM 0 H GLN B 19 9.136 -3.204 -6.668 1.00 0.00 H new ATOM 0 HA GLN B 19 9.010 -5.560 -8.232 1.00 0.00 H new ATOM 0 HB2 GLN B 19 11.349 -3.807 -7.423 1.00 0.00 H new ATOM 0 HB3 GLN B 19 11.385 -5.027 -8.681 1.00 0.00 H new ATOM 0 HG2 GLN B 19 9.620 -3.792 -9.924 1.00 0.00 H new ATOM 0 HG3 GLN B 19 9.593 -2.571 -8.668 1.00 0.00 H new ATOM 0 HE21 GLN B 19 11.361 -3.905 -11.362 1.00 0.00 H new ATOM 0 HE22 GLN B 19 12.511 -2.572 -11.522 1.00 0.00 H new ATOM 1412 N LEU B 20 10.385 -5.823 -5.281 1.00 0.00 N ATOM 1413 CA LEU B 20 10.853 -6.785 -4.289 1.00 0.00 C ATOM 1414 C LEU B 20 9.753 -7.777 -3.946 1.00 0.00 C ATOM 1415 O LEU B 20 9.987 -8.987 -3.953 1.00 0.00 O ATOM 1416 CB LEU B 20 11.381 -6.100 -3.022 1.00 0.00 C ATOM 1417 CG LEU B 20 12.655 -5.263 -3.183 1.00 0.00 C ATOM 1418 CD1 LEU B 20 13.047 -4.632 -1.862 1.00 0.00 C ATOM 1419 CD2 LEU B 20 13.799 -6.120 -3.717 1.00 0.00 C ATOM 0 H LEU B 20 10.242 -4.881 -4.916 1.00 0.00 H new ATOM 0 HA LEU B 20 11.689 -7.326 -4.733 1.00 0.00 H new ATOM 0 HB2 LEU B 20 10.595 -5.455 -2.629 1.00 0.00 H new ATOM 0 HB3 LEU B 20 11.568 -6.867 -2.271 1.00 0.00 H new ATOM 0 HG LEU B 20 12.452 -4.470 -3.902 1.00 0.00 H new ATOM 0 HD11 LEU B 20 13.954 -4.042 -1.996 1.00 0.00 H new ATOM 0 HD12 LEU B 20 12.241 -3.986 -1.514 1.00 0.00 H new ATOM 0 HD13 LEU B 20 13.229 -5.414 -1.125 1.00 0.00 H new ATOM 0 HD21 LEU B 20 14.694 -5.507 -3.824 1.00 0.00 H new ATOM 0 HD22 LEU B 20 13.999 -6.935 -3.021 1.00 0.00 H new ATOM 0 HD23 LEU B 20 13.523 -6.531 -4.688 1.00 0.00 H new ATOM 1431 N VAL B 21 8.549 -7.270 -3.643 1.00 0.00 N ATOM 1432 CA VAL B 21 7.392 -8.146 -3.410 1.00 0.00 C ATOM 1433 C VAL B 21 7.122 -9.002 -4.662 1.00 0.00 C ATOM 1434 O VAL B 21 6.823 -10.193 -4.570 1.00 0.00 O ATOM 1435 CB VAL B 21 6.115 -7.335 -3.082 1.00 0.00 C ATOM 1436 CG1 VAL B 21 4.960 -8.258 -2.710 1.00 0.00 C ATOM 1437 CG2 VAL B 21 6.384 -6.342 -1.981 1.00 0.00 C ATOM 0 H VAL B 21 8.352 -6.273 -3.555 1.00 0.00 H new ATOM 0 HA VAL B 21 7.631 -8.780 -2.556 1.00 0.00 H new ATOM 0 HB VAL B 21 5.827 -6.783 -3.977 1.00 0.00 H new ATOM 0 HG11 VAL B 21 4.076 -7.662 -2.484 1.00 0.00 H new ATOM 0 HG12 VAL B 21 4.744 -8.925 -3.544 1.00 0.00 H new ATOM 0 HG13 VAL B 21 5.233 -8.848 -1.835 1.00 0.00 H new ATOM 0 HG21 VAL B 21 5.474 -5.782 -1.766 1.00 0.00 H new ATOM 0 HG22 VAL B 21 6.705 -6.871 -1.084 1.00 0.00 H new ATOM 0 HG23 VAL B 21 7.168 -5.653 -2.296 1.00 0.00 H new ATOM 1447 N ALA B 22 7.261 -8.382 -5.820 1.00 0.00 N ATOM 1448 CA ALA B 22 7.056 -9.044 -7.094 1.00 0.00 C ATOM 1449 C ALA B 22 8.010 -10.215 -7.275 1.00 0.00 C ATOM 1450 O ALA B 22 7.577 -11.337 -7.570 1.00 0.00 O ATOM 1451 CB ALA B 22 7.206 -8.056 -8.235 1.00 0.00 C ATOM 0 H ALA B 22 7.521 -7.399 -5.903 1.00 0.00 H new ATOM 0 HA ALA B 22 6.040 -9.440 -7.102 1.00 0.00 H new ATOM 0 HB1 ALA B 22 7.049 -8.569 -9.184 1.00 0.00 H new ATOM 0 HB2 ALA B 22 6.469 -7.260 -8.127 1.00 0.00 H new ATOM 0 HB3 ALA B 22 8.208 -7.627 -8.216 1.00 0.00 H new ATOM 1457 N ARG B 23 9.300 -9.977 -7.026 1.00 0.00 N ATOM 1458 CA ARG B 23 10.317 -11.012 -7.187 1.00 0.00 C ATOM 1459 C ARG B 23 10.298 -12.017 -6.039 1.00 0.00 C ATOM 1460 O ARG B 23 11.139 -12.927 -5.975 1.00 0.00 O ATOM 1461 CB ARG B 23 11.719 -10.427 -7.349 1.00 0.00 C ATOM 1462 CG ARG B 23 12.243 -9.701 -6.131 1.00 0.00 C ATOM 1463 CD ARG B 23 13.661 -9.227 -6.348 1.00 0.00 C ATOM 1464 NE ARG B 23 14.581 -10.347 -6.603 1.00 0.00 N ATOM 1465 CZ ARG B 23 15.850 -10.219 -7.007 1.00 0.00 C ATOM 1466 NH1 ARG B 23 16.359 -9.009 -7.240 1.00 0.00 N ATOM 1467 NH2 ARG B 23 16.600 -11.300 -7.197 1.00 0.00 N ATOM 0 H ARG B 23 9.662 -9.076 -6.712 1.00 0.00 H new ATOM 0 HA ARG B 23 10.063 -11.539 -8.107 1.00 0.00 H new ATOM 0 HB2 ARG B 23 12.408 -11.234 -7.599 1.00 0.00 H new ATOM 0 HB3 ARG B 23 11.715 -9.737 -8.193 1.00 0.00 H new ATOM 0 HG2 ARG B 23 11.601 -8.848 -5.908 1.00 0.00 H new ATOM 0 HG3 ARG B 23 12.206 -10.363 -5.266 1.00 0.00 H new ATOM 0 HD2 ARG B 23 13.688 -8.536 -7.191 1.00 0.00 H new ATOM 0 HD3 ARG B 23 13.997 -8.674 -5.471 1.00 0.00 H new ATOM 0 HE ARG B 23 14.224 -11.292 -6.461 1.00 0.00 H new ATOM 0 HH11 ARG B 23 15.781 -8.179 -7.110 1.00 0.00 H new ATOM 0 HH12 ARG B 23 17.327 -8.913 -7.548 1.00 0.00 H new ATOM 0 HH21 ARG B 23 16.208 -12.228 -7.035 1.00 0.00 H new ATOM 0 HH22 ARG B 23 17.567 -11.202 -7.505 1.00 0.00 H new ATOM 1481 N HIS B 24 9.387 -11.838 -5.110 1.00 0.00 N ATOM 1482 CA HIS B 24 9.183 -12.824 -4.089 1.00 0.00 C ATOM 1483 C HIS B 24 8.452 -14.009 -4.713 1.00 0.00 C ATOM 1484 O HIS B 24 8.637 -15.156 -4.309 1.00 0.00 O ATOM 1485 CB HIS B 24 8.417 -12.248 -2.880 1.00 0.00 C ATOM 1486 CG HIS B 24 8.113 -13.278 -1.821 1.00 0.00 C ATOM 1487 ND1 HIS B 24 9.059 -13.863 -0.989 1.00 0.00 N ATOM 1488 CD2 HIS B 24 6.952 -13.859 -1.520 1.00 0.00 C ATOM 1489 CE1 HIS B 24 8.437 -14.770 -0.232 1.00 0.00 C ATOM 1490 NE2 HIS B 24 7.144 -14.809 -0.515 1.00 0.00 N ATOM 0 H HIS B 24 8.781 -11.020 -5.045 1.00 0.00 H new ATOM 0 HA HIS B 24 10.146 -13.153 -3.699 1.00 0.00 H new ATOM 0 HB2 HIS B 24 9.004 -11.443 -2.437 1.00 0.00 H new ATOM 0 HB3 HIS B 24 7.483 -11.807 -3.227 1.00 0.00 H new ATOM 0 HD2 HIS B 24 6.004 -13.629 -1.984 1.00 0.00 H new ATOM 0 HE1 HIS B 24 8.922 -15.387 0.510 1.00 0.00 H new ATOM 0 HE2 HIS B 24 6.437 -15.407 -0.088 1.00 0.00 H new ATOM 1498 N GLY B 25 7.663 -13.719 -5.726 1.00 0.00 N ATOM 1499 CA GLY B 25 6.963 -14.754 -6.421 1.00 0.00 C ATOM 1500 C GLY B 25 5.574 -14.347 -6.831 1.00 0.00 C ATOM 1501 O GLY B 25 4.626 -15.133 -6.686 1.00 0.00 O ATOM 0 H GLY B 25 7.497 -12.776 -6.078 1.00 0.00 H new ATOM 0 HA2 GLY B 25 7.530 -15.037 -7.308 1.00 0.00 H new ATOM 0 HA3 GLY B 25 6.905 -15.637 -5.785 1.00 0.00 H new ATOM 1505 N LEU B 26 5.423 -13.131 -7.325 1.00 0.00 N ATOM 1506 CA LEU B 26 4.128 -12.678 -7.787 1.00 0.00 C ATOM 1507 C LEU B 26 3.984 -12.835 -9.261 1.00 0.00 C ATOM 1508 O LEU B 26 4.959 -12.741 -10.024 1.00 0.00 O ATOM 1509 CB LEU B 26 3.829 -11.219 -7.418 1.00 0.00 C ATOM 1510 CG LEU B 26 3.643 -10.918 -5.953 1.00 0.00 C ATOM 1511 CD1 LEU B 26 3.192 -9.492 -5.706 1.00 0.00 C ATOM 1512 CD2 LEU B 26 2.754 -11.925 -5.262 1.00 0.00 C ATOM 0 H LEU B 26 6.174 -12.447 -7.415 1.00 0.00 H new ATOM 0 HA LEU B 26 3.408 -13.314 -7.273 1.00 0.00 H new ATOM 0 HB2 LEU B 26 4.644 -10.599 -7.792 1.00 0.00 H new ATOM 0 HB3 LEU B 26 2.926 -10.912 -7.946 1.00 0.00 H new ATOM 0 HG LEU B 26 4.629 -11.014 -5.498 1.00 0.00 H new ATOM 0 HD11 LEU B 26 3.073 -9.328 -4.635 1.00 0.00 H new ATOM 0 HD12 LEU B 26 3.938 -8.801 -6.098 1.00 0.00 H new ATOM 0 HD13 LEU B 26 2.240 -9.320 -6.207 1.00 0.00 H new ATOM 0 HD21 LEU B 26 2.654 -11.660 -4.209 1.00 0.00 H new ATOM 0 HD22 LEU B 26 1.770 -11.924 -5.731 1.00 0.00 H new ATOM 0 HD23 LEU B 26 3.195 -12.918 -5.346 1.00 0.00 H new ATOM 1524 N ASP B 27 2.774 -13.066 -9.657 1.00 0.00 N ATOM 1525 CA ASP B 27 2.415 -13.139 -11.057 1.00 0.00 C ATOM 1526 C ASP B 27 2.236 -11.715 -11.523 1.00 0.00 C ATOM 1527 O ASP B 27 2.158 -10.807 -10.677 1.00 0.00 O ATOM 1528 CB ASP B 27 1.104 -13.913 -11.235 1.00 0.00 C ATOM 1529 CG ASP B 27 0.761 -14.183 -12.681 1.00 0.00 C ATOM 1530 OD1 ASP B 27 1.330 -15.123 -13.278 1.00 0.00 O ATOM 1531 OD2 ASP B 27 -0.068 -13.471 -13.253 1.00 0.00 O ATOM 0 H ASP B 27 1.991 -13.212 -9.020 1.00 0.00 H new ATOM 0 HA ASP B 27 3.183 -13.657 -11.631 1.00 0.00 H new ATOM 0 HB2 ASP B 27 1.175 -14.861 -10.702 1.00 0.00 H new ATOM 0 HB3 ASP B 27 0.292 -13.349 -10.775 1.00 0.00 H new ATOM 1536 N HIS B 28 2.150 -11.499 -12.814 1.00 0.00 N ATOM 1537 CA HIS B 28 2.018 -10.164 -13.362 1.00 0.00 C ATOM 1538 C HIS B 28 0.768 -9.482 -12.805 1.00 0.00 C ATOM 1539 O HIS B 28 0.784 -8.282 -12.525 1.00 0.00 O ATOM 1540 CB HIS B 28 1.957 -10.225 -14.892 1.00 0.00 C ATOM 1541 CG HIS B 28 2.124 -8.892 -15.575 1.00 0.00 C ATOM 1542 ND1 HIS B 28 3.344 -8.364 -15.931 1.00 0.00 N ATOM 1543 CD2 HIS B 28 1.203 -7.985 -15.970 1.00 0.00 C ATOM 1544 CE1 HIS B 28 3.135 -7.182 -16.512 1.00 0.00 C ATOM 1545 NE2 HIS B 28 1.844 -6.902 -16.564 1.00 0.00 N ATOM 0 H HIS B 28 2.169 -12.240 -13.515 1.00 0.00 H new ATOM 0 HA HIS B 28 2.890 -9.578 -13.071 1.00 0.00 H new ATOM 0 HB2 HIS B 28 2.734 -10.902 -15.248 1.00 0.00 H new ATOM 0 HB3 HIS B 28 1.000 -10.654 -15.189 1.00 0.00 H new ATOM 0 HD2 HIS B 28 0.135 -8.085 -15.844 1.00 0.00 H new ATOM 0 HE1 HIS B 28 3.916 -6.539 -16.890 1.00 0.00 H new ATOM 0 HE2 HIS B 28 1.409 -6.067 -16.957 1.00 0.00 H new ATOM 1553 N ASP B 29 -0.282 -10.271 -12.561 1.00 0.00 N ATOM 1554 CA ASP B 29 -1.547 -9.704 -12.075 1.00 0.00 C ATOM 1555 C ASP B 29 -1.368 -9.199 -10.654 1.00 0.00 C ATOM 1556 O ASP B 29 -1.889 -8.148 -10.285 1.00 0.00 O ATOM 1557 CB ASP B 29 -2.708 -10.727 -12.119 1.00 0.00 C ATOM 1558 CG ASP B 29 -2.796 -11.628 -10.890 1.00 0.00 C ATOM 1559 OD1 ASP B 29 -1.936 -12.518 -10.704 1.00 0.00 O ATOM 1560 OD2 ASP B 29 -3.728 -11.470 -10.084 1.00 0.00 O ATOM 0 H ASP B 29 -0.286 -11.283 -12.688 1.00 0.00 H new ATOM 0 HA ASP B 29 -1.811 -8.881 -12.739 1.00 0.00 H new ATOM 0 HB2 ASP B 29 -3.649 -10.187 -12.228 1.00 0.00 H new ATOM 0 HB3 ASP B 29 -2.594 -11.351 -13.005 1.00 0.00 H new ATOM 1565 N LYS B 30 -0.573 -9.927 -9.897 1.00 0.00 N ATOM 1566 CA LYS B 30 -0.319 -9.634 -8.508 1.00 0.00 C ATOM 1567 C LYS B 30 0.451 -8.357 -8.360 1.00 0.00 C ATOM 1568 O LYS B 30 0.118 -7.535 -7.524 1.00 0.00 O ATOM 1569 CB LYS B 30 0.405 -10.807 -7.846 1.00 0.00 C ATOM 1570 CG LYS B 30 -0.429 -12.075 -7.751 1.00 0.00 C ATOM 1571 CD LYS B 30 -1.703 -11.857 -6.942 1.00 0.00 C ATOM 1572 CE LYS B 30 -2.599 -13.075 -6.984 1.00 0.00 C ATOM 1573 NZ LYS B 30 -3.042 -13.385 -8.361 1.00 0.00 N ATOM 0 H LYS B 30 -0.079 -10.751 -10.238 1.00 0.00 H new ATOM 0 HA LYS B 30 -1.273 -9.495 -8.000 1.00 0.00 H new ATOM 0 HB2 LYS B 30 1.314 -11.023 -8.408 1.00 0.00 H new ATOM 0 HB3 LYS B 30 0.713 -10.511 -6.843 1.00 0.00 H new ATOM 0 HG2 LYS B 30 -0.689 -12.415 -8.754 1.00 0.00 H new ATOM 0 HG3 LYS B 30 0.163 -12.866 -7.290 1.00 0.00 H new ATOM 0 HD2 LYS B 30 -1.445 -11.629 -5.908 1.00 0.00 H new ATOM 0 HD3 LYS B 30 -2.241 -10.994 -7.334 1.00 0.00 H new ATOM 0 HE2 LYS B 30 -2.066 -13.932 -6.572 1.00 0.00 H new ATOM 0 HE3 LYS B 30 -3.470 -12.907 -6.351 1.00 0.00 H new ATOM 0 HZ1 LYS B 30 -3.554 -14.290 -8.365 1.00 0.00 H new ATOM 0 HZ2 LYS B 30 -3.670 -12.630 -8.702 1.00 0.00 H new ATOM 0 HZ3 LYS B 30 -2.213 -13.454 -8.985 1.00 0.00 H new ATOM 1587 N VAL B 31 1.454 -8.184 -9.193 1.00 0.00 N ATOM 1588 CA VAL B 31 2.249 -6.977 -9.196 1.00 0.00 C ATOM 1589 C VAL B 31 1.355 -5.771 -9.516 1.00 0.00 C ATOM 1590 O VAL B 31 1.442 -4.737 -8.862 1.00 0.00 O ATOM 1591 CB VAL B 31 3.399 -7.059 -10.233 1.00 0.00 C ATOM 1592 CG1 VAL B 31 4.358 -5.883 -10.103 1.00 0.00 C ATOM 1593 CG2 VAL B 31 4.133 -8.383 -10.119 1.00 0.00 C ATOM 0 H VAL B 31 1.741 -8.875 -9.886 1.00 0.00 H new ATOM 0 HA VAL B 31 2.691 -6.861 -8.206 1.00 0.00 H new ATOM 0 HB VAL B 31 2.954 -7.003 -11.226 1.00 0.00 H new ATOM 0 HG11 VAL B 31 5.150 -5.976 -10.846 1.00 0.00 H new ATOM 0 HG12 VAL B 31 3.816 -4.952 -10.265 1.00 0.00 H new ATOM 0 HG13 VAL B 31 4.796 -5.879 -9.105 1.00 0.00 H new ATOM 0 HG21 VAL B 31 4.935 -8.419 -10.856 1.00 0.00 H new ATOM 0 HG22 VAL B 31 4.554 -8.480 -9.118 1.00 0.00 H new ATOM 0 HG23 VAL B 31 3.437 -9.202 -10.301 1.00 0.00 H new ATOM 1603 N LEU B 32 0.466 -5.934 -10.493 1.00 0.00 N ATOM 1604 CA LEU B 32 -0.447 -4.861 -10.900 1.00 0.00 C ATOM 1605 C LEU B 32 -1.431 -4.514 -9.798 1.00 0.00 C ATOM 1606 O LEU B 32 -1.625 -3.343 -9.480 1.00 0.00 O ATOM 1607 CB LEU B 32 -1.212 -5.227 -12.173 1.00 0.00 C ATOM 1608 CG LEU B 32 -0.374 -5.574 -13.397 1.00 0.00 C ATOM 1609 CD1 LEU B 32 -1.264 -5.772 -14.600 1.00 0.00 C ATOM 1610 CD2 LEU B 32 0.687 -4.519 -13.663 1.00 0.00 C ATOM 0 H LEU B 32 0.356 -6.800 -11.021 1.00 0.00 H new ATOM 0 HA LEU B 32 0.172 -3.987 -11.102 1.00 0.00 H new ATOM 0 HB2 LEU B 32 -1.857 -6.077 -11.950 1.00 0.00 H new ATOM 0 HB3 LEU B 32 -1.863 -4.392 -12.431 1.00 0.00 H new ATOM 0 HG LEU B 32 0.148 -6.510 -13.198 1.00 0.00 H new ATOM 0 HD11 LEU B 32 -0.653 -6.019 -15.468 1.00 0.00 H new ATOM 0 HD12 LEU B 32 -1.964 -6.585 -14.405 1.00 0.00 H new ATOM 0 HD13 LEU B 32 -1.819 -4.855 -14.797 1.00 0.00 H new ATOM 0 HD21 LEU B 32 1.266 -4.799 -14.543 1.00 0.00 H new ATOM 0 HD22 LEU B 32 0.207 -3.556 -13.836 1.00 0.00 H new ATOM 0 HD23 LEU B 32 1.350 -4.445 -12.801 1.00 0.00 H new ATOM 1622 N LEU B 33 -2.034 -5.524 -9.213 1.00 0.00 N ATOM 1623 CA LEU B 33 -2.999 -5.325 -8.149 1.00 0.00 C ATOM 1624 C LEU B 33 -2.339 -4.730 -6.911 1.00 0.00 C ATOM 1625 O LEU B 33 -2.869 -3.794 -6.307 1.00 0.00 O ATOM 1626 CB LEU B 33 -3.708 -6.634 -7.815 1.00 0.00 C ATOM 1627 CG LEU B 33 -4.608 -7.214 -8.908 1.00 0.00 C ATOM 1628 CD1 LEU B 33 -5.120 -8.589 -8.502 1.00 0.00 C ATOM 1629 CD2 LEU B 33 -5.770 -6.275 -9.187 1.00 0.00 C ATOM 0 H LEU B 33 -1.873 -6.501 -9.457 1.00 0.00 H new ATOM 0 HA LEU B 33 -3.746 -4.613 -8.500 1.00 0.00 H new ATOM 0 HB2 LEU B 33 -2.952 -7.378 -7.563 1.00 0.00 H new ATOM 0 HB3 LEU B 33 -4.312 -6.478 -6.921 1.00 0.00 H new ATOM 0 HG LEU B 33 -4.021 -7.321 -9.820 1.00 0.00 H new ATOM 0 HD11 LEU B 33 -5.759 -8.987 -9.291 1.00 0.00 H new ATOM 0 HD12 LEU B 33 -4.275 -9.260 -8.346 1.00 0.00 H new ATOM 0 HD13 LEU B 33 -5.693 -8.506 -7.579 1.00 0.00 H new ATOM 0 HD21 LEU B 33 -6.402 -6.700 -9.967 1.00 0.00 H new ATOM 0 HD22 LEU B 33 -6.356 -6.141 -8.278 1.00 0.00 H new ATOM 0 HD23 LEU B 33 -5.386 -5.310 -9.517 1.00 0.00 H new ATOM 1641 N PHE B 34 -1.169 -5.241 -6.566 1.00 0.00 N ATOM 1642 CA PHE B 34 -0.440 -4.758 -5.414 1.00 0.00 C ATOM 1643 C PHE B 34 -0.015 -3.315 -5.604 1.00 0.00 C ATOM 1644 O PHE B 34 -0.287 -2.485 -4.755 1.00 0.00 O ATOM 1645 CB PHE B 34 0.773 -5.653 -5.103 1.00 0.00 C ATOM 1646 CG PHE B 34 1.602 -5.180 -3.940 1.00 0.00 C ATOM 1647 CD1 PHE B 34 1.151 -5.341 -2.641 1.00 0.00 C ATOM 1648 CD2 PHE B 34 2.828 -4.570 -4.148 1.00 0.00 C ATOM 1649 CE1 PHE B 34 1.905 -4.901 -1.576 1.00 0.00 C ATOM 1650 CE2 PHE B 34 3.583 -4.132 -3.086 1.00 0.00 C ATOM 1651 CZ PHE B 34 3.122 -4.296 -1.801 1.00 0.00 C ATOM 0 H PHE B 34 -0.705 -5.994 -7.073 1.00 0.00 H new ATOM 0 HA PHE B 34 -1.112 -4.801 -4.557 1.00 0.00 H new ATOM 0 HB2 PHE B 34 0.422 -6.664 -4.898 1.00 0.00 H new ATOM 0 HB3 PHE B 34 1.406 -5.709 -5.988 1.00 0.00 H new ATOM 0 HD1 PHE B 34 0.198 -5.817 -2.461 1.00 0.00 H new ATOM 0 HD2 PHE B 34 3.195 -4.437 -5.155 1.00 0.00 H new ATOM 0 HE1 PHE B 34 1.543 -5.030 -0.567 1.00 0.00 H new ATOM 0 HE2 PHE B 34 4.538 -3.659 -3.261 1.00 0.00 H new ATOM 0 HZ PHE B 34 3.715 -3.950 -0.967 1.00 0.00 H new ATOM 1661 N SER B 35 0.600 -3.014 -6.741 1.00 0.00 N ATOM 1662 CA SER B 35 1.100 -1.677 -7.013 1.00 0.00 C ATOM 1663 C SER B 35 -0.003 -0.625 -6.957 1.00 0.00 C ATOM 1664 O SER B 35 0.200 0.483 -6.436 1.00 0.00 O ATOM 1665 CB SER B 35 1.836 -1.636 -8.364 1.00 0.00 C ATOM 1666 OG SER B 35 1.029 -2.151 -9.412 1.00 0.00 O ATOM 0 H SER B 35 0.764 -3.684 -7.492 1.00 0.00 H new ATOM 0 HA SER B 35 1.811 -1.431 -6.224 1.00 0.00 H new ATOM 0 HB2 SER B 35 2.120 -0.609 -8.594 1.00 0.00 H new ATOM 0 HB3 SER B 35 2.757 -2.214 -8.295 1.00 0.00 H new ATOM 0 HG SER B 35 0.968 -3.126 -9.329 1.00 0.00 H new ATOM 1672 N ARG B 36 -1.173 -0.967 -7.463 1.00 0.00 N ATOM 1673 CA ARG B 36 -2.256 -0.024 -7.496 1.00 0.00 C ATOM 1674 C ARG B 36 -2.910 0.142 -6.143 1.00 0.00 C ATOM 1675 O ARG B 36 -3.197 1.251 -5.734 1.00 0.00 O ATOM 1676 CB ARG B 36 -3.272 -0.346 -8.587 1.00 0.00 C ATOM 1677 CG ARG B 36 -4.065 -1.624 -8.432 1.00 0.00 C ATOM 1678 CD ARG B 36 -4.851 -1.906 -9.700 1.00 0.00 C ATOM 1679 NE ARG B 36 -5.641 -0.733 -10.129 1.00 0.00 N ATOM 1680 CZ ARG B 36 -6.399 -0.667 -11.233 1.00 0.00 C ATOM 1681 NH1 ARG B 36 -6.541 -1.733 -12.023 1.00 0.00 N ATOM 1682 NH2 ARG B 36 -7.013 0.474 -11.540 1.00 0.00 N ATOM 0 H ARG B 36 -1.389 -1.885 -7.852 1.00 0.00 H new ATOM 0 HA ARG B 36 -1.817 0.940 -7.754 1.00 0.00 H new ATOM 0 HB2 ARG B 36 -3.976 0.484 -8.650 1.00 0.00 H new ATOM 0 HB3 ARG B 36 -2.744 -0.389 -9.540 1.00 0.00 H new ATOM 0 HG2 ARG B 36 -3.393 -2.455 -8.219 1.00 0.00 H new ATOM 0 HG3 ARG B 36 -4.745 -1.539 -7.584 1.00 0.00 H new ATOM 0 HD2 ARG B 36 -4.165 -2.193 -10.497 1.00 0.00 H new ATOM 0 HD3 ARG B 36 -5.518 -2.752 -9.534 1.00 0.00 H new ATOM 0 HE ARG B 36 -5.607 0.096 -9.535 1.00 0.00 H new ATOM 0 HH11 ARG B 36 -6.071 -2.607 -11.789 1.00 0.00 H new ATOM 0 HH12 ARG B 36 -7.120 -1.673 -12.861 1.00 0.00 H new ATOM 0 HH21 ARG B 36 -6.905 1.290 -10.937 1.00 0.00 H new ATOM 0 HH22 ARG B 36 -7.591 0.532 -12.378 1.00 0.00 H new ATOM 1696 N ASP B 37 -3.101 -0.943 -5.430 1.00 0.00 N ATOM 1697 CA ASP B 37 -3.726 -0.870 -4.116 1.00 0.00 C ATOM 1698 C ASP B 37 -2.797 -0.290 -3.077 1.00 0.00 C ATOM 1699 O ASP B 37 -3.236 0.349 -2.126 1.00 0.00 O ATOM 1700 CB ASP B 37 -4.334 -2.195 -3.699 1.00 0.00 C ATOM 1701 CG ASP B 37 -5.803 -2.289 -4.068 1.00 0.00 C ATOM 1702 OD1 ASP B 37 -6.136 -2.428 -5.272 1.00 0.00 O ATOM 1703 OD2 ASP B 37 -6.657 -2.200 -3.168 1.00 0.00 O ATOM 0 H ASP B 37 -2.838 -1.882 -5.728 1.00 0.00 H new ATOM 0 HA ASP B 37 -4.559 -0.171 -4.195 1.00 0.00 H new ATOM 0 HB2 ASP B 37 -3.788 -3.010 -4.175 1.00 0.00 H new ATOM 0 HB3 ASP B 37 -4.222 -2.322 -2.622 1.00 0.00 H new ATOM 1708 N LEU B 38 -1.515 -0.487 -3.279 1.00 0.00 N ATOM 1709 CA LEU B 38 -0.497 0.139 -2.458 1.00 0.00 C ATOM 1710 C LEU B 38 -0.542 1.647 -2.668 1.00 0.00 C ATOM 1711 O LEU B 38 -0.463 2.419 -1.717 1.00 0.00 O ATOM 1712 CB LEU B 38 0.885 -0.445 -2.812 1.00 0.00 C ATOM 1713 CG LEU B 38 2.135 0.236 -2.245 1.00 0.00 C ATOM 1714 CD1 LEU B 38 2.053 0.405 -0.753 1.00 0.00 C ATOM 1715 CD2 LEU B 38 3.359 -0.579 -2.597 1.00 0.00 C ATOM 0 H LEU B 38 -1.145 -1.086 -4.017 1.00 0.00 H new ATOM 0 HA LEU B 38 -0.683 -0.064 -1.403 1.00 0.00 H new ATOM 0 HB2 LEU B 38 0.898 -1.485 -2.487 1.00 0.00 H new ATOM 0 HB3 LEU B 38 0.974 -0.450 -3.898 1.00 0.00 H new ATOM 0 HG LEU B 38 2.204 1.229 -2.689 1.00 0.00 H new ATOM 0 HD11 LEU B 38 2.959 0.892 -0.392 1.00 0.00 H new ATOM 0 HD12 LEU B 38 1.187 1.018 -0.503 1.00 0.00 H new ATOM 0 HD13 LEU B 38 1.953 -0.572 -0.281 1.00 0.00 H new ATOM 0 HD21 LEU B 38 4.248 -0.094 -2.193 1.00 0.00 H new ATOM 0 HD22 LEU B 38 3.266 -1.578 -2.171 1.00 0.00 H new ATOM 0 HD23 LEU B 38 3.447 -0.654 -3.681 1.00 0.00 H new ATOM 1727 N ASP B 39 -0.715 2.047 -3.921 1.00 0.00 N ATOM 1728 CA ASP B 39 -0.829 3.457 -4.285 1.00 0.00 C ATOM 1729 C ASP B 39 -2.052 4.048 -3.588 1.00 0.00 C ATOM 1730 O ASP B 39 -1.963 5.085 -2.937 1.00 0.00 O ATOM 1731 CB ASP B 39 -0.956 3.590 -5.811 1.00 0.00 C ATOM 1732 CG ASP B 39 -0.857 5.012 -6.324 1.00 0.00 C ATOM 1733 OD1 ASP B 39 0.269 5.536 -6.405 1.00 0.00 O ATOM 1734 OD2 ASP B 39 -1.883 5.600 -6.735 1.00 0.00 O ATOM 0 H ASP B 39 -0.780 1.407 -4.713 1.00 0.00 H new ATOM 0 HA ASP B 39 0.061 4.000 -3.968 1.00 0.00 H new ATOM 0 HB2 ASP B 39 -0.176 2.991 -6.282 1.00 0.00 H new ATOM 0 HB3 ASP B 39 -1.912 3.170 -6.122 1.00 0.00 H new ATOM 1739 N LYS B 40 -3.174 3.314 -3.669 1.00 0.00 N ATOM 1740 CA LYS B 40 -4.439 3.686 -3.012 1.00 0.00 C ATOM 1741 C LYS B 40 -4.240 3.895 -1.515 1.00 0.00 C ATOM 1742 O LYS B 40 -4.674 4.903 -0.968 1.00 0.00 O ATOM 1743 CB LYS B 40 -5.494 2.588 -3.185 1.00 0.00 C ATOM 1744 CG LYS B 40 -5.930 2.304 -4.606 1.00 0.00 C ATOM 1745 CD LYS B 40 -6.874 1.115 -4.627 1.00 0.00 C ATOM 1746 CE LYS B 40 -7.230 0.690 -6.034 1.00 0.00 C ATOM 1747 NZ LYS B 40 -7.951 -0.600 -6.037 1.00 0.00 N ATOM 0 H LYS B 40 -3.230 2.442 -4.195 1.00 0.00 H new ATOM 0 HA LYS B 40 -4.773 4.611 -3.482 1.00 0.00 H new ATOM 0 HB2 LYS B 40 -5.104 1.666 -2.755 1.00 0.00 H new ATOM 0 HB3 LYS B 40 -6.374 2.863 -2.604 1.00 0.00 H new ATOM 0 HG2 LYS B 40 -6.424 3.180 -5.026 1.00 0.00 H new ATOM 0 HG3 LYS B 40 -5.059 2.100 -5.229 1.00 0.00 H new ATOM 0 HD2 LYS B 40 -6.412 0.278 -4.103 1.00 0.00 H new ATOM 0 HD3 LYS B 40 -7.785 1.368 -4.085 1.00 0.00 H new ATOM 0 HE2 LYS B 40 -7.848 1.456 -6.503 1.00 0.00 H new ATOM 0 HE3 LYS B 40 -6.322 0.604 -6.631 1.00 0.00 H new ATOM 0 HZ1 LYS B 40 -8.457 -0.713 -6.939 1.00 0.00 H new ATOM 0 HZ2 LYS B 40 -7.271 -1.378 -5.922 1.00 0.00 H new ATOM 0 HZ3 LYS B 40 -8.634 -0.618 -5.253 1.00 0.00 H new ATOM 1761 N LEU B 41 -3.587 2.929 -0.867 1.00 0.00 N ATOM 1762 CA LEU B 41 -3.331 2.968 0.568 1.00 0.00 C ATOM 1763 C LEU B 41 -2.530 4.207 0.956 1.00 0.00 C ATOM 1764 O LEU B 41 -2.841 4.872 1.948 1.00 0.00 O ATOM 1765 CB LEU B 41 -2.604 1.693 1.023 1.00 0.00 C ATOM 1766 CG LEU B 41 -2.245 1.605 2.514 1.00 0.00 C ATOM 1767 CD1 LEU B 41 -3.485 1.699 3.392 1.00 0.00 C ATOM 1768 CD2 LEU B 41 -1.481 0.327 2.801 1.00 0.00 C ATOM 0 H LEU B 41 -3.221 2.096 -1.327 1.00 0.00 H new ATOM 0 HA LEU B 41 -4.294 3.020 1.076 1.00 0.00 H new ATOM 0 HB2 LEU B 41 -3.228 0.836 0.771 1.00 0.00 H new ATOM 0 HB3 LEU B 41 -1.685 1.599 0.444 1.00 0.00 H new ATOM 0 HG LEU B 41 -1.606 2.455 2.754 1.00 0.00 H new ATOM 0 HD11 LEU B 41 -3.194 1.633 4.440 1.00 0.00 H new ATOM 0 HD12 LEU B 41 -3.986 2.650 3.213 1.00 0.00 H new ATOM 0 HD13 LEU B 41 -4.164 0.881 3.152 1.00 0.00 H new ATOM 0 HD21 LEU B 41 -1.235 0.281 3.862 1.00 0.00 H new ATOM 0 HD22 LEU B 41 -2.096 -0.532 2.534 1.00 0.00 H new ATOM 0 HD23 LEU B 41 -0.563 0.313 2.214 1.00 0.00 H new ATOM 1780 N ILE B 42 -1.533 4.522 0.166 1.00 0.00 N ATOM 1781 CA ILE B 42 -0.722 5.688 0.416 1.00 0.00 C ATOM 1782 C ILE B 42 -1.565 6.945 0.236 1.00 0.00 C ATOM 1783 O ILE B 42 -1.676 7.744 1.154 1.00 0.00 O ATOM 1784 CB ILE B 42 0.537 5.717 -0.486 1.00 0.00 C ATOM 1785 CG1 ILE B 42 1.382 4.478 -0.217 1.00 0.00 C ATOM 1786 CG2 ILE B 42 1.359 6.968 -0.222 1.00 0.00 C ATOM 1787 CD1 ILE B 42 2.610 4.372 -1.072 1.00 0.00 C ATOM 0 H ILE B 42 -1.263 3.985 -0.658 1.00 0.00 H new ATOM 0 HA ILE B 42 -0.365 5.647 1.445 1.00 0.00 H new ATOM 0 HB ILE B 42 0.221 5.727 -1.529 1.00 0.00 H new ATOM 0 HG12 ILE B 42 1.682 4.477 0.831 1.00 0.00 H new ATOM 0 HG13 ILE B 42 0.767 3.592 -0.373 1.00 0.00 H new ATOM 0 HG21 ILE B 42 2.238 6.968 -0.866 1.00 0.00 H new ATOM 0 HG22 ILE B 42 0.755 7.851 -0.432 1.00 0.00 H new ATOM 0 HG23 ILE B 42 1.673 6.983 0.822 1.00 0.00 H new ATOM 0 HD11 ILE B 42 3.154 3.463 -0.816 1.00 0.00 H new ATOM 0 HD12 ILE B 42 2.320 4.339 -2.122 1.00 0.00 H new ATOM 0 HD13 ILE B 42 3.249 5.238 -0.899 1.00 0.00 H new ATOM 1799 N ASN B 43 -2.207 7.067 -0.920 1.00 0.00 N ATOM 1800 CA ASN B 43 -3.118 8.198 -1.255 1.00 0.00 C ATOM 1801 C ASN B 43 -4.167 8.409 -0.164 1.00 0.00 C ATOM 1802 O ASN B 43 -4.511 9.541 0.176 1.00 0.00 O ATOM 1803 CB ASN B 43 -3.845 7.950 -2.599 1.00 0.00 C ATOM 1804 CG ASN B 43 -2.918 7.892 -3.800 1.00 0.00 C ATOM 1805 OD1 ASN B 43 -1.880 8.543 -3.830 1.00 0.00 O ATOM 1806 ND2 ASN B 43 -3.294 7.113 -4.794 1.00 0.00 N ATOM 0 H ASN B 43 -2.120 6.384 -1.673 1.00 0.00 H new ATOM 0 HA ASN B 43 -2.496 9.090 -1.335 1.00 0.00 H new ATOM 0 HB2 ASN B 43 -4.398 7.013 -2.534 1.00 0.00 H new ATOM 0 HB3 ASN B 43 -4.577 8.742 -2.756 1.00 0.00 H new ATOM 0 HD21 ASN B 43 -2.713 7.035 -5.629 1.00 0.00 H new ATOM 0 HD22 ASN B 43 -4.166 6.588 -4.729 1.00 0.00 H new ATOM 1813 N LYS B 44 -4.649 7.303 0.383 1.00 0.00 N ATOM 1814 CA LYS B 44 -5.632 7.285 1.461 1.00 0.00 C ATOM 1815 C LYS B 44 -5.104 8.052 2.678 1.00 0.00 C ATOM 1816 O LYS B 44 -5.822 8.847 3.290 1.00 0.00 O ATOM 1817 CB LYS B 44 -5.907 5.830 1.856 1.00 0.00 C ATOM 1818 CG LYS B 44 -6.991 5.629 2.907 1.00 0.00 C ATOM 1819 CD LYS B 44 -7.027 4.179 3.403 1.00 0.00 C ATOM 1820 CE LYS B 44 -7.245 3.177 2.271 1.00 0.00 C ATOM 1821 NZ LYS B 44 -7.280 1.789 2.770 1.00 0.00 N ATOM 0 H LYS B 44 -4.362 6.371 0.084 1.00 0.00 H new ATOM 0 HA LYS B 44 -6.550 7.763 1.118 1.00 0.00 H new ATOM 0 HB2 LYS B 44 -6.187 5.275 0.960 1.00 0.00 H new ATOM 0 HB3 LYS B 44 -4.981 5.391 2.226 1.00 0.00 H new ATOM 0 HG2 LYS B 44 -6.813 6.299 3.748 1.00 0.00 H new ATOM 0 HG3 LYS B 44 -7.961 5.896 2.487 1.00 0.00 H new ATOM 0 HD2 LYS B 44 -6.091 3.949 3.911 1.00 0.00 H new ATOM 0 HD3 LYS B 44 -7.824 4.070 4.138 1.00 0.00 H new ATOM 0 HE2 LYS B 44 -8.181 3.404 1.760 1.00 0.00 H new ATOM 0 HE3 LYS B 44 -6.447 3.279 1.536 1.00 0.00 H new ATOM 0 HZ1 LYS B 44 -7.430 1.137 1.973 1.00 0.00 H new ATOM 0 HZ2 LYS B 44 -6.378 1.565 3.236 1.00 0.00 H new ATOM 0 HZ3 LYS B 44 -8.057 1.685 3.453 1.00 0.00 H new ATOM 1835 N PHE B 45 -3.849 7.816 3.003 1.00 0.00 N ATOM 1836 CA PHE B 45 -3.203 8.438 4.143 1.00 0.00 C ATOM 1837 C PHE B 45 -2.606 9.809 3.811 1.00 0.00 C ATOM 1838 O PHE B 45 -2.437 10.655 4.693 1.00 0.00 O ATOM 1839 CB PHE B 45 -2.152 7.510 4.746 1.00 0.00 C ATOM 1840 CG PHE B 45 -2.728 6.423 5.614 1.00 0.00 C ATOM 1841 CD1 PHE B 45 -3.329 5.296 5.073 1.00 0.00 C ATOM 1842 CD2 PHE B 45 -2.675 6.546 6.986 1.00 0.00 C ATOM 1843 CE1 PHE B 45 -3.858 4.317 5.892 1.00 0.00 C ATOM 1844 CE2 PHE B 45 -3.202 5.572 7.811 1.00 0.00 C ATOM 1845 CZ PHE B 45 -3.794 4.455 7.261 1.00 0.00 C ATOM 0 H PHE B 45 -3.244 7.183 2.480 1.00 0.00 H new ATOM 0 HA PHE B 45 -3.979 8.612 4.888 1.00 0.00 H new ATOM 0 HB2 PHE B 45 -1.579 7.053 3.939 1.00 0.00 H new ATOM 0 HB3 PHE B 45 -1.454 8.103 5.337 1.00 0.00 H new ATOM 0 HD1 PHE B 45 -3.384 5.183 4.000 1.00 0.00 H new ATOM 0 HD2 PHE B 45 -2.213 7.419 7.423 1.00 0.00 H new ATOM 0 HE1 PHE B 45 -4.322 3.443 5.459 1.00 0.00 H new ATOM 0 HE2 PHE B 45 -3.151 5.685 8.884 1.00 0.00 H new ATOM 0 HZ PHE B 45 -4.207 3.690 7.902 1.00 0.00 H new ATOM 1855 N MET B 46 -2.299 10.031 2.534 1.00 0.00 N ATOM 1856 CA MET B 46 -1.771 11.333 2.066 1.00 0.00 C ATOM 1857 C MET B 46 -2.918 12.318 1.922 1.00 0.00 C ATOM 1858 O MET B 46 -2.718 13.510 1.645 1.00 0.00 O ATOM 1859 CB MET B 46 -1.086 11.215 0.699 1.00 0.00 C ATOM 1860 CG MET B 46 0.000 10.167 0.590 1.00 0.00 C ATOM 1861 SD MET B 46 0.912 10.269 -0.961 1.00 0.00 S ATOM 1862 CE MET B 46 1.677 11.862 -0.773 1.00 0.00 C ATOM 0 H MET B 46 -2.403 9.333 1.797 1.00 0.00 H new ATOM 0 HA MET B 46 -1.041 11.671 2.802 1.00 0.00 H new ATOM 0 HB2 MET B 46 -1.848 10.999 -0.050 1.00 0.00 H new ATOM 0 HB3 MET B 46 -0.655 12.184 0.446 1.00 0.00 H new ATOM 0 HG2 MET B 46 0.694 10.281 1.423 1.00 0.00 H new ATOM 0 HG3 MET B 46 -0.446 9.177 0.680 1.00 0.00 H new ATOM 0 HE1 MET B 46 2.574 11.910 -1.391 1.00 0.00 H new ATOM 0 HE2 MET B 46 0.979 12.640 -1.084 1.00 0.00 H new ATOM 0 HE3 MET B 46 1.948 12.015 0.272 1.00 0.00 H new