USER MOD reduce.3.24.130724 H: found=0, std=0, add=628, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 625 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 60 ASN : amide:sc= -0.367 X(o=-0.47,f=-0.47) USER MOD Set 1.2: A 62 GLN : amide:sc= -0.101 X(o=-0.47,f=-0.45) USER MOD Set 2.1: A 22 THR OG1 : rot 180:sc= 0.398 USER MOD Set 2.2: A 25 ASN : amide:sc= 0.441 K(o=0.84,f=-0.022) USER MOD Set 3.1: A 7 THR OG1 : rot 122:sc= 1.04 USER MOD Set 3.2: A 9 THR OG1 : rot 180:sc= 1.18 USER MOD Single : A 1 MET CE :methyl -176:sc= -0.201 (180deg=-0.259) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 165:sc= 0.151 (180deg=0.0162) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -87:sc= 1.16 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.000618) USER MOD Single : A 31 GLN : amide:sc= -0.0169 X(o=-0.017,f=-0.38) USER MOD Single : A 33 LYS NZ :NH3+ -166:sc= -0.0194 (180deg=-0.189) USER MOD Single : A 40 GLN : amide:sc= 1.11 K(o=1.1,f=-0.27) USER MOD Single : A 41 ASN : amide:sc= 0.348 X(o=0.35,f=-0.031) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0.401 K(o=0.4,f=-4.3!) USER MOD Single : A 55 THR OG1 : rot -66:sc= 1.03 USER MOD Single : A 57 SER OG : rot 75:sc= 1.19 USER MOD Single : A 59 TYR OH : rot 153:sc= 0.305 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot -89:sc= 1.19 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 15.136 -4.731 0.458 1.00 0.00 N ATOM 2 CA MET A 1 14.043 -4.041 1.145 1.00 0.00 C ATOM 3 C MET A 1 12.742 -4.747 0.826 1.00 0.00 C ATOM 4 O MET A 1 12.355 -4.834 -0.341 1.00 0.00 O ATOM 5 CB MET A 1 14.000 -2.562 0.728 1.00 0.00 C ATOM 6 CG MET A 1 12.669 -1.860 1.021 1.00 0.00 C ATOM 7 SD MET A 1 12.560 -0.149 0.446 1.00 0.00 S ATOM 8 CE MET A 1 13.731 0.711 1.520 1.00 0.00 C ATOM 0 H1 MET A 1 16.035 -4.254 0.670 1.00 0.00 H new ATOM 0 H2 MET A 1 15.182 -5.718 0.783 1.00 0.00 H new ATOM 0 H3 MET A 1 14.968 -4.712 -0.568 1.00 0.00 H new ATOM 0 HA MET A 1 14.202 -4.069 2.223 1.00 0.00 H new ATOM 0 HB2 MET A 1 14.799 -2.029 1.243 1.00 0.00 H new ATOM 0 HB3 MET A 1 14.206 -2.492 -0.340 1.00 0.00 H new ATOM 0 HG2 MET A 1 11.865 -2.434 0.560 1.00 0.00 H new ATOM 0 HG3 MET A 1 12.497 -1.877 2.097 1.00 0.00 H new ATOM 0 HE1 MET A 1 13.699 1.780 1.310 1.00 0.00 H new ATOM 0 HE2 MET A 1 13.464 0.538 2.562 1.00 0.00 H new ATOM 0 HE3 MET A 1 14.737 0.335 1.336 1.00 0.00 H new ATOM 18 N GLN A 2 12.084 -5.289 1.845 1.00 0.00 N ATOM 19 CA GLN A 2 10.807 -5.963 1.706 1.00 0.00 C ATOM 20 C GLN A 2 9.805 -5.225 2.596 1.00 0.00 C ATOM 21 O GLN A 2 10.188 -4.656 3.615 1.00 0.00 O ATOM 22 CB GLN A 2 10.926 -7.470 1.993 1.00 0.00 C ATOM 23 CG GLN A 2 11.651 -7.811 3.307 1.00 0.00 C ATOM 24 CD GLN A 2 11.505 -9.285 3.676 1.00 0.00 C ATOM 25 OE1 GLN A 2 12.458 -10.064 3.629 1.00 0.00 O ATOM 26 NE2 GLN A 2 10.324 -9.704 4.094 1.00 0.00 N ATOM 0 H GLN A 2 12.432 -5.270 2.804 1.00 0.00 H new ATOM 0 HA GLN A 2 10.447 -5.924 0.678 1.00 0.00 H new ATOM 0 HB2 GLN A 2 9.926 -7.902 2.021 1.00 0.00 H new ATOM 0 HB3 GLN A 2 11.455 -7.944 1.166 1.00 0.00 H new ATOM 0 HG2 GLN A 2 12.708 -7.564 3.212 1.00 0.00 H new ATOM 0 HG3 GLN A 2 11.251 -7.195 4.112 1.00 0.00 H new ATOM 0 HE21 GLN A 2 9.537 -9.056 4.132 1.00 0.00 H new ATOM 0 HE22 GLN A 2 10.199 -10.675 4.379 1.00 0.00 H new ATOM 35 N ILE A 3 8.532 -5.180 2.226 1.00 0.00 N ATOM 36 CA ILE A 3 7.490 -4.521 3.006 1.00 0.00 C ATOM 37 C ILE A 3 6.303 -5.469 3.123 1.00 0.00 C ATOM 38 O ILE A 3 6.196 -6.444 2.364 1.00 0.00 O ATOM 39 CB ILE A 3 7.109 -3.158 2.371 1.00 0.00 C ATOM 40 CG1 ILE A 3 6.470 -3.311 0.968 1.00 0.00 C ATOM 41 CG2 ILE A 3 8.346 -2.240 2.324 1.00 0.00 C ATOM 42 CD1 ILE A 3 5.769 -2.043 0.469 1.00 0.00 C ATOM 0 H ILE A 3 8.189 -5.605 1.365 1.00 0.00 H new ATOM 0 HA ILE A 3 7.849 -4.295 4.010 1.00 0.00 H new ATOM 0 HB ILE A 3 6.347 -2.701 3.002 1.00 0.00 H new ATOM 0 HG12 ILE A 3 7.245 -3.592 0.254 1.00 0.00 H new ATOM 0 HG13 ILE A 3 5.749 -4.128 0.994 1.00 0.00 H new ATOM 0 HG21 ILE A 3 8.073 -1.284 1.877 1.00 0.00 H new ATOM 0 HG22 ILE A 3 8.715 -2.075 3.336 1.00 0.00 H new ATOM 0 HG23 ILE A 3 9.126 -2.711 1.725 1.00 0.00 H new ATOM 0 HD11 ILE A 3 5.346 -2.226 -0.519 1.00 0.00 H new ATOM 0 HD12 ILE A 3 4.971 -1.772 1.161 1.00 0.00 H new ATOM 0 HD13 ILE A 3 6.490 -1.228 0.410 1.00 0.00 H new ATOM 54 N PHE A 4 5.357 -5.137 3.996 1.00 0.00 N ATOM 55 CA PHE A 4 4.163 -5.929 4.217 1.00 0.00 C ATOM 56 C PHE A 4 2.941 -5.041 4.050 1.00 0.00 C ATOM 57 O PHE A 4 2.985 -3.858 4.391 1.00 0.00 O ATOM 58 CB PHE A 4 4.157 -6.505 5.637 1.00 0.00 C ATOM 59 CG PHE A 4 5.311 -7.409 6.025 1.00 0.00 C ATOM 60 CD1 PHE A 4 5.326 -8.756 5.622 1.00 0.00 C ATOM 61 CD2 PHE A 4 6.333 -6.927 6.863 1.00 0.00 C ATOM 62 CE1 PHE A 4 6.351 -9.616 6.060 1.00 0.00 C ATOM 63 CE2 PHE A 4 7.343 -7.791 7.323 1.00 0.00 C ATOM 64 CZ PHE A 4 7.354 -9.138 6.922 1.00 0.00 C ATOM 0 H PHE A 4 5.404 -4.298 4.575 1.00 0.00 H new ATOM 0 HA PHE A 4 4.146 -6.747 3.497 1.00 0.00 H new ATOM 0 HB2 PHE A 4 4.130 -5.672 6.339 1.00 0.00 H new ATOM 0 HB3 PHE A 4 3.231 -7.064 5.771 1.00 0.00 H new ATOM 0 HD1 PHE A 4 4.548 -9.132 4.974 1.00 0.00 H new ATOM 0 HD2 PHE A 4 6.342 -5.887 7.155 1.00 0.00 H new ATOM 0 HE1 PHE A 4 6.367 -10.645 5.733 1.00 0.00 H new ATOM 0 HE2 PHE A 4 8.111 -7.419 7.985 1.00 0.00 H new ATOM 0 HZ PHE A 4 8.129 -9.803 7.274 1.00 0.00 H new ATOM 74 N VAL A 5 1.824 -5.614 3.608 1.00 0.00 N ATOM 75 CA VAL A 5 0.582 -4.874 3.430 1.00 0.00 C ATOM 76 C VAL A 5 -0.573 -5.746 3.940 1.00 0.00 C ATOM 77 O VAL A 5 -0.786 -6.870 3.473 1.00 0.00 O ATOM 78 CB VAL A 5 0.397 -4.410 1.962 1.00 0.00 C ATOM 79 CG1 VAL A 5 -0.794 -3.440 1.874 1.00 0.00 C ATOM 80 CG2 VAL A 5 1.615 -3.686 1.360 1.00 0.00 C ATOM 0 H VAL A 5 1.757 -6.602 3.364 1.00 0.00 H new ATOM 0 HA VAL A 5 0.605 -3.953 4.013 1.00 0.00 H new ATOM 0 HB VAL A 5 0.241 -5.326 1.392 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -0.923 -3.115 0.842 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -1.700 -3.944 2.211 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -0.605 -2.573 2.507 1.00 0.00 H new ATOM 0 HG21 VAL A 5 1.396 -3.398 0.332 1.00 0.00 H new ATOM 0 HG22 VAL A 5 1.835 -2.795 1.947 1.00 0.00 H new ATOM 0 HG23 VAL A 5 2.478 -4.352 1.374 1.00 0.00 H new ATOM 90 N LYS A 6 -1.346 -5.192 4.869 1.00 0.00 N ATOM 91 CA LYS A 6 -2.518 -5.793 5.512 1.00 0.00 C ATOM 92 C LYS A 6 -3.796 -5.468 4.739 1.00 0.00 C ATOM 93 O LYS A 6 -4.074 -4.288 4.524 1.00 0.00 O ATOM 94 CB LYS A 6 -2.657 -5.252 6.946 1.00 0.00 C ATOM 95 CG LYS A 6 -3.973 -5.599 7.673 1.00 0.00 C ATOM 96 CD LYS A 6 -4.302 -7.095 7.776 1.00 0.00 C ATOM 97 CE LYS A 6 -3.152 -7.966 8.289 1.00 0.00 C ATOM 98 NZ LYS A 6 -2.845 -7.713 9.708 1.00 0.00 N ATOM 0 H LYS A 6 -1.162 -4.251 5.218 1.00 0.00 H new ATOM 0 HA LYS A 6 -2.377 -6.874 5.526 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -1.826 -5.633 7.539 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -2.557 -4.167 6.916 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -3.930 -5.185 8.680 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -4.794 -5.100 7.158 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -5.159 -7.221 8.438 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -4.603 -7.456 6.793 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -3.409 -9.017 8.158 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -2.262 -7.778 7.688 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -2.060 -8.326 10.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -2.573 -6.717 9.832 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -3.685 -7.917 10.287 1.00 0.00 H new ATOM 112 N THR A 7 -4.500 -6.483 4.234 1.00 0.00 N ATOM 113 CA THR A 7 -5.763 -6.295 3.524 1.00 0.00 C ATOM 114 C THR A 7 -6.904 -6.178 4.554 1.00 0.00 C ATOM 115 O THR A 7 -6.769 -6.634 5.692 1.00 0.00 O ATOM 116 CB THR A 7 -6.027 -7.499 2.608 1.00 0.00 C ATOM 117 OG1 THR A 7 -6.001 -8.680 3.374 1.00 0.00 O ATOM 118 CG2 THR A 7 -4.991 -7.670 1.497 1.00 0.00 C ATOM 0 H THR A 7 -4.209 -7.458 4.307 1.00 0.00 H new ATOM 0 HA THR A 7 -5.711 -5.389 2.920 1.00 0.00 H new ATOM 0 HB THR A 7 -6.996 -7.313 2.146 1.00 0.00 H new ATOM 0 HG1 THR A 7 -6.858 -9.147 3.284 1.00 0.00 H new ATOM 0 HG21 THR A 7 -5.246 -8.541 0.893 1.00 0.00 H new ATOM 0 HG22 THR A 7 -4.983 -6.781 0.867 1.00 0.00 H new ATOM 0 HG23 THR A 7 -4.004 -7.811 1.938 1.00 0.00 H new ATOM 126 N LEU A 8 -8.077 -5.682 4.140 1.00 0.00 N ATOM 127 CA LEU A 8 -9.265 -5.530 4.996 1.00 0.00 C ATOM 128 C LEU A 8 -9.868 -6.881 5.430 1.00 0.00 C ATOM 129 O LEU A 8 -10.835 -6.928 6.187 1.00 0.00 O ATOM 130 CB LEU A 8 -10.319 -4.616 4.327 1.00 0.00 C ATOM 131 CG LEU A 8 -11.425 -5.302 3.486 1.00 0.00 C ATOM 132 CD1 LEU A 8 -12.483 -4.271 3.084 1.00 0.00 C ATOM 133 CD2 LEU A 8 -10.882 -5.964 2.217 1.00 0.00 C ATOM 0 H LEU A 8 -8.232 -5.368 3.182 1.00 0.00 H new ATOM 0 HA LEU A 8 -8.933 -5.043 5.913 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -10.804 -4.032 5.109 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -9.794 -3.911 3.682 1.00 0.00 H new ATOM 0 HG LEU A 8 -11.856 -6.083 4.113 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -13.259 -4.757 2.493 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -12.928 -3.838 3.980 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -12.017 -3.483 2.493 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -11.702 -6.428 1.669 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -10.406 -5.211 1.589 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -10.151 -6.725 2.488 1.00 0.00 H new ATOM 145 N THR A 9 -9.345 -7.989 4.910 1.00 0.00 N ATOM 146 CA THR A 9 -9.746 -9.362 5.196 1.00 0.00 C ATOM 147 C THR A 9 -8.894 -9.947 6.331 1.00 0.00 C ATOM 148 O THR A 9 -9.214 -11.021 6.849 1.00 0.00 O ATOM 149 CB THR A 9 -9.580 -10.181 3.902 1.00 0.00 C ATOM 150 OG1 THR A 9 -8.422 -9.769 3.191 1.00 0.00 O ATOM 151 CG2 THR A 9 -10.789 -9.987 2.991 1.00 0.00 C ATOM 0 H THR A 9 -8.581 -7.948 4.235 1.00 0.00 H new ATOM 0 HA THR A 9 -10.785 -9.394 5.525 1.00 0.00 H new ATOM 0 HB THR A 9 -9.487 -11.229 4.186 1.00 0.00 H new ATOM 0 HG1 THR A 9 -8.333 -10.302 2.373 1.00 0.00 H new ATOM 0 HG21 THR A 9 -10.656 -10.572 2.081 1.00 0.00 H new ATOM 0 HG22 THR A 9 -11.690 -10.318 3.507 1.00 0.00 H new ATOM 0 HG23 THR A 9 -10.885 -8.932 2.733 1.00 0.00 H new ATOM 159 N GLY A 10 -7.781 -9.290 6.672 1.00 0.00 N ATOM 160 CA GLY A 10 -6.856 -9.680 7.722 1.00 0.00 C ATOM 161 C GLY A 10 -5.654 -10.444 7.184 1.00 0.00 C ATOM 162 O GLY A 10 -4.845 -10.929 7.979 1.00 0.00 O ATOM 0 H GLY A 10 -7.494 -8.434 6.197 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -6.511 -8.790 8.248 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -7.379 -10.298 8.452 1.00 0.00 H new ATOM 166 N LYS A 11 -5.513 -10.552 5.856 1.00 0.00 N ATOM 167 CA LYS A 11 -4.376 -11.264 5.301 1.00 0.00 C ATOM 168 C LYS A 11 -3.180 -10.322 5.290 1.00 0.00 C ATOM 169 O LYS A 11 -3.320 -9.096 5.352 1.00 0.00 O ATOM 170 CB LYS A 11 -4.653 -11.693 3.845 1.00 0.00 C ATOM 171 CG LYS A 11 -5.876 -12.604 3.627 1.00 0.00 C ATOM 172 CD LYS A 11 -5.558 -14.106 3.598 1.00 0.00 C ATOM 173 CE LYS A 11 -4.496 -14.522 2.565 1.00 0.00 C ATOM 174 NZ LYS A 11 -4.840 -14.146 1.180 1.00 0.00 N ATOM 0 H LYS A 11 -6.159 -10.163 5.169 1.00 0.00 H new ATOM 0 HA LYS A 11 -4.187 -12.150 5.907 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -4.783 -10.795 3.242 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -3.770 -12.207 3.465 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -6.599 -12.415 4.420 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -6.354 -12.329 2.687 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -5.220 -14.410 4.588 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -6.478 -14.654 3.393 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -3.543 -14.064 2.831 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -4.356 -15.602 2.615 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -3.994 -14.220 0.580 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -5.577 -14.785 0.820 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -5.192 -13.168 1.163 1.00 0.00 H new ATOM 188 N THR A 12 -2.004 -10.901 5.118 1.00 0.00 N ATOM 189 CA THR A 12 -0.758 -10.179 5.029 1.00 0.00 C ATOM 190 C THR A 12 -0.109 -10.604 3.726 1.00 0.00 C ATOM 191 O THR A 12 -0.175 -11.779 3.349 1.00 0.00 O ATOM 192 CB THR A 12 0.157 -10.452 6.220 1.00 0.00 C ATOM 193 OG1 THR A 12 -0.552 -10.471 7.445 1.00 0.00 O ATOM 194 CG2 THR A 12 1.225 -9.362 6.302 1.00 0.00 C ATOM 0 H THR A 12 -1.893 -11.911 5.035 1.00 0.00 H new ATOM 0 HA THR A 12 -0.941 -9.105 5.048 1.00 0.00 H new ATOM 0 HB THR A 12 0.605 -11.433 6.065 1.00 0.00 H new ATOM 0 HG1 THR A 12 0.070 -10.650 8.180 1.00 0.00 H new ATOM 0 HG21 THR A 12 1.879 -9.556 7.152 1.00 0.00 H new ATOM 0 HG22 THR A 12 1.814 -9.360 5.385 1.00 0.00 H new ATOM 0 HG23 THR A 12 0.745 -8.391 6.428 1.00 0.00 H new ATOM 202 N ILE A 13 0.435 -9.631 3.015 1.00 0.00 N ATOM 203 CA ILE A 13 1.140 -9.779 1.759 1.00 0.00 C ATOM 204 C ILE A 13 2.584 -9.338 2.044 1.00 0.00 C ATOM 205 O ILE A 13 2.784 -8.525 2.951 1.00 0.00 O ATOM 206 CB ILE A 13 0.401 -8.918 0.714 1.00 0.00 C ATOM 207 CG1 ILE A 13 -1.079 -9.340 0.517 1.00 0.00 C ATOM 208 CG2 ILE A 13 1.120 -8.874 -0.634 1.00 0.00 C ATOM 209 CD1 ILE A 13 -1.307 -10.783 0.044 1.00 0.00 C ATOM 0 H ILE A 13 0.392 -8.659 3.320 1.00 0.00 H new ATOM 0 HA ILE A 13 1.168 -10.792 1.358 1.00 0.00 H new ATOM 0 HB ILE A 13 0.407 -7.911 1.131 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -1.605 -9.200 1.461 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -1.536 -8.664 -0.206 1.00 0.00 H new ATOM 0 HG21 ILE A 13 0.553 -8.254 -1.328 1.00 0.00 H new ATOM 0 HG22 ILE A 13 2.117 -8.453 -0.501 1.00 0.00 H new ATOM 0 HG23 ILE A 13 1.204 -9.884 -1.035 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -2.376 -10.967 -0.060 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -0.818 -10.932 -0.919 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -0.889 -11.476 0.774 1.00 0.00 H new ATOM 221 N THR A 14 3.560 -9.836 1.283 1.00 0.00 N ATOM 222 CA THR A 14 4.977 -9.502 1.405 1.00 0.00 C ATOM 223 C THR A 14 5.496 -9.203 -0.008 1.00 0.00 C ATOM 224 O THR A 14 5.231 -9.967 -0.943 1.00 0.00 O ATOM 225 CB THR A 14 5.752 -10.619 2.108 1.00 0.00 C ATOM 226 OG1 THR A 14 5.146 -10.972 3.334 1.00 0.00 O ATOM 227 CG2 THR A 14 7.176 -10.167 2.447 1.00 0.00 C ATOM 0 H THR A 14 3.377 -10.508 0.538 1.00 0.00 H new ATOM 0 HA THR A 14 5.121 -8.623 2.033 1.00 0.00 H new ATOM 0 HB THR A 14 5.758 -11.465 1.420 1.00 0.00 H new ATOM 0 HG1 THR A 14 5.484 -10.389 4.046 1.00 0.00 H new ATOM 0 HG21 THR A 14 7.706 -10.978 2.946 1.00 0.00 H new ATOM 0 HG22 THR A 14 7.701 -9.900 1.530 1.00 0.00 H new ATOM 0 HG23 THR A 14 7.135 -9.300 3.107 1.00 0.00 H new ATOM 235 N LEU A 15 6.187 -8.069 -0.186 1.00 0.00 N ATOM 236 CA LEU A 15 6.724 -7.608 -1.467 1.00 0.00 C ATOM 237 C LEU A 15 8.115 -7.016 -1.317 1.00 0.00 C ATOM 238 O LEU A 15 8.441 -6.488 -0.259 1.00 0.00 O ATOM 239 CB LEU A 15 5.832 -6.480 -2.019 1.00 0.00 C ATOM 240 CG LEU A 15 4.446 -6.918 -2.515 1.00 0.00 C ATOM 241 CD1 LEU A 15 3.596 -5.666 -2.741 1.00 0.00 C ATOM 242 CD2 LEU A 15 4.589 -7.765 -3.785 1.00 0.00 C ATOM 0 H LEU A 15 6.392 -7.430 0.582 1.00 0.00 H new ATOM 0 HA LEU A 15 6.757 -8.474 -2.128 1.00 0.00 H new ATOM 0 HB2 LEU A 15 5.700 -5.730 -1.239 1.00 0.00 H new ATOM 0 HB3 LEU A 15 6.357 -5.995 -2.842 1.00 0.00 H new ATOM 0 HG LEU A 15 3.947 -7.543 -1.774 1.00 0.00 H new ATOM 0 HD11 LEU A 15 2.607 -5.957 -3.094 1.00 0.00 H new ATOM 0 HD12 LEU A 15 3.500 -5.117 -1.804 1.00 0.00 H new ATOM 0 HD13 LEU A 15 4.075 -5.031 -3.486 1.00 0.00 H new ATOM 0 HD21 LEU A 15 3.602 -8.072 -4.131 1.00 0.00 H new ATOM 0 HD22 LEU A 15 5.079 -7.177 -4.561 1.00 0.00 H new ATOM 0 HD23 LEU A 15 5.188 -8.649 -3.567 1.00 0.00 H new ATOM 254 N GLU A 16 8.917 -7.111 -2.372 1.00 0.00 N ATOM 255 CA GLU A 16 10.275 -6.595 -2.504 1.00 0.00 C ATOM 256 C GLU A 16 10.126 -5.275 -3.271 1.00 0.00 C ATOM 257 O GLU A 16 9.600 -5.285 -4.391 1.00 0.00 O ATOM 258 CB GLU A 16 11.122 -7.613 -3.286 1.00 0.00 C ATOM 259 CG GLU A 16 12.504 -7.078 -3.685 1.00 0.00 C ATOM 260 CD GLU A 16 13.286 -8.156 -4.425 1.00 0.00 C ATOM 261 OE1 GLU A 16 13.067 -8.351 -5.643 1.00 0.00 O ATOM 262 OE2 GLU A 16 14.072 -8.881 -3.775 1.00 0.00 O ATOM 0 H GLU A 16 8.612 -7.587 -3.221 1.00 0.00 H new ATOM 0 HA GLU A 16 10.772 -6.433 -1.548 1.00 0.00 H new ATOM 0 HB2 GLU A 16 11.249 -8.510 -2.680 1.00 0.00 H new ATOM 0 HB3 GLU A 16 10.582 -7.909 -4.185 1.00 0.00 H new ATOM 0 HG2 GLU A 16 12.393 -6.198 -4.318 1.00 0.00 H new ATOM 0 HG3 GLU A 16 13.052 -6.765 -2.797 1.00 0.00 H new ATOM 269 N VAL A 17 10.500 -4.156 -2.655 1.00 0.00 N ATOM 270 CA VAL A 17 10.419 -2.810 -3.223 1.00 0.00 C ATOM 271 C VAL A 17 11.734 -2.054 -2.958 1.00 0.00 C ATOM 272 O VAL A 17 12.716 -2.640 -2.491 1.00 0.00 O ATOM 273 CB VAL A 17 9.164 -2.080 -2.687 1.00 0.00 C ATOM 274 CG1 VAL A 17 7.861 -2.821 -3.033 1.00 0.00 C ATOM 275 CG2 VAL A 17 9.225 -1.857 -1.170 1.00 0.00 C ATOM 0 H VAL A 17 10.883 -4.161 -1.710 1.00 0.00 H new ATOM 0 HA VAL A 17 10.301 -2.861 -4.305 1.00 0.00 H new ATOM 0 HB VAL A 17 9.160 -1.112 -3.187 1.00 0.00 H new ATOM 0 HG11 VAL A 17 7.011 -2.268 -2.634 1.00 0.00 H new ATOM 0 HG12 VAL A 17 7.765 -2.903 -4.116 1.00 0.00 H new ATOM 0 HG13 VAL A 17 7.882 -3.819 -2.594 1.00 0.00 H new ATOM 0 HG21 VAL A 17 8.323 -1.342 -0.841 1.00 0.00 H new ATOM 0 HG22 VAL A 17 9.298 -2.819 -0.663 1.00 0.00 H new ATOM 0 HG23 VAL A 17 10.098 -1.251 -0.926 1.00 0.00 H new ATOM 285 N GLU A 18 11.775 -0.756 -3.264 1.00 0.00 N ATOM 286 CA GLU A 18 12.939 0.095 -3.061 1.00 0.00 C ATOM 287 C GLU A 18 12.505 1.533 -2.742 1.00 0.00 C ATOM 288 O GLU A 18 11.345 1.880 -2.983 1.00 0.00 O ATOM 289 CB GLU A 18 13.864 -0.007 -4.277 1.00 0.00 C ATOM 290 CG GLU A 18 13.247 0.428 -5.613 1.00 0.00 C ATOM 291 CD GLU A 18 14.284 0.208 -6.707 1.00 0.00 C ATOM 292 OE1 GLU A 18 14.305 -0.916 -7.261 1.00 0.00 O ATOM 293 OE2 GLU A 18 15.156 1.089 -6.880 1.00 0.00 O ATOM 0 H GLU A 18 10.980 -0.261 -3.668 1.00 0.00 H new ATOM 0 HA GLU A 18 13.509 -0.245 -2.196 1.00 0.00 H new ATOM 0 HB2 GLU A 18 14.749 0.601 -4.090 1.00 0.00 H new ATOM 0 HB3 GLU A 18 14.200 -1.040 -4.371 1.00 0.00 H new ATOM 0 HG2 GLU A 18 12.346 -0.148 -5.822 1.00 0.00 H new ATOM 0 HG3 GLU A 18 12.953 1.477 -5.573 1.00 0.00 H new ATOM 300 N PRO A 19 13.409 2.399 -2.238 1.00 0.00 N ATOM 301 CA PRO A 19 13.099 3.782 -1.888 1.00 0.00 C ATOM 302 C PRO A 19 12.454 4.615 -2.998 1.00 0.00 C ATOM 303 O PRO A 19 11.814 5.624 -2.677 1.00 0.00 O ATOM 304 CB PRO A 19 14.425 4.419 -1.464 1.00 0.00 C ATOM 305 CG PRO A 19 15.264 3.247 -1.000 1.00 0.00 C ATOM 306 CD PRO A 19 14.801 2.116 -1.910 1.00 0.00 C ATOM 0 HA PRO A 19 12.346 3.767 -1.100 1.00 0.00 H new ATOM 0 HB2 PRO A 19 14.898 4.945 -2.293 1.00 0.00 H new ATOM 0 HB3 PRO A 19 14.281 5.147 -0.666 1.00 0.00 H new ATOM 0 HG2 PRO A 19 16.330 3.444 -1.111 1.00 0.00 H new ATOM 0 HG3 PRO A 19 15.090 3.017 0.051 1.00 0.00 H new ATOM 0 HD2 PRO A 19 15.411 2.068 -2.812 1.00 0.00 H new ATOM 0 HD3 PRO A 19 14.895 1.152 -1.410 1.00 0.00 H new ATOM 314 N SER A 20 12.566 4.209 -4.262 1.00 0.00 N ATOM 315 CA SER A 20 12.000 4.941 -5.378 1.00 0.00 C ATOM 316 C SER A 20 10.906 4.135 -6.088 1.00 0.00 C ATOM 317 O SER A 20 10.645 4.377 -7.265 1.00 0.00 O ATOM 318 CB SER A 20 13.148 5.350 -6.312 1.00 0.00 C ATOM 319 OG SER A 20 14.101 6.131 -5.608 1.00 0.00 O ATOM 0 H SER A 20 13.056 3.357 -4.535 1.00 0.00 H new ATOM 0 HA SER A 20 11.500 5.842 -5.023 1.00 0.00 H new ATOM 0 HB2 SER A 20 13.627 4.461 -6.721 1.00 0.00 H new ATOM 0 HB3 SER A 20 12.755 5.917 -7.156 1.00 0.00 H new ATOM 0 HG SER A 20 14.829 6.384 -6.214 1.00 0.00 H new ATOM 325 N ASP A 21 10.168 3.275 -5.374 1.00 0.00 N ATOM 326 CA ASP A 21 9.073 2.539 -6.012 1.00 0.00 C ATOM 327 C ASP A 21 7.868 3.451 -5.777 1.00 0.00 C ATOM 328 O ASP A 21 7.656 3.921 -4.645 1.00 0.00 O ATOM 329 CB ASP A 21 8.852 1.144 -5.398 1.00 0.00 C ATOM 330 CG ASP A 21 7.887 0.296 -6.244 1.00 0.00 C ATOM 331 OD1 ASP A 21 7.126 -0.517 -5.677 1.00 0.00 O ATOM 332 OD2 ASP A 21 7.960 0.390 -7.494 1.00 0.00 O ATOM 0 H ASP A 21 10.304 3.076 -4.383 1.00 0.00 H new ATOM 0 HA ASP A 21 9.269 2.334 -7.064 1.00 0.00 H new ATOM 0 HB2 ASP A 21 9.809 0.629 -5.311 1.00 0.00 H new ATOM 0 HB3 ASP A 21 8.454 1.250 -4.389 1.00 0.00 H new ATOM 337 N THR A 22 7.094 3.778 -6.817 1.00 0.00 N ATOM 338 CA THR A 22 5.960 4.672 -6.617 1.00 0.00 C ATOM 339 C THR A 22 4.798 3.931 -5.959 1.00 0.00 C ATOM 340 O THR A 22 4.670 2.712 -6.092 1.00 0.00 O ATOM 341 CB THR A 22 5.555 5.351 -7.939 1.00 0.00 C ATOM 342 OG1 THR A 22 5.345 4.412 -8.977 1.00 0.00 O ATOM 343 CG2 THR A 22 6.611 6.358 -8.403 1.00 0.00 C ATOM 0 H THR A 22 7.228 3.448 -7.773 1.00 0.00 H new ATOM 0 HA THR A 22 6.258 5.468 -5.934 1.00 0.00 H new ATOM 0 HB THR A 22 4.619 5.870 -7.732 1.00 0.00 H new ATOM 0 HG1 THR A 22 5.088 4.883 -9.797 1.00 0.00 H new ATOM 0 HG21 THR A 22 6.290 6.817 -9.338 1.00 0.00 H new ATOM 0 HG22 THR A 22 6.735 7.130 -7.644 1.00 0.00 H new ATOM 0 HG23 THR A 22 7.560 5.845 -8.557 1.00 0.00 H new ATOM 351 N ILE A 23 3.883 4.670 -5.315 1.00 0.00 N ATOM 352 CA ILE A 23 2.724 4.034 -4.670 1.00 0.00 C ATOM 353 C ILE A 23 1.875 3.351 -5.746 1.00 0.00 C ATOM 354 O ILE A 23 1.190 2.380 -5.449 1.00 0.00 O ATOM 355 CB ILE A 23 1.904 5.058 -3.861 1.00 0.00 C ATOM 356 CG1 ILE A 23 2.683 5.629 -2.660 1.00 0.00 C ATOM 357 CG2 ILE A 23 0.536 4.526 -3.381 1.00 0.00 C ATOM 358 CD1 ILE A 23 2.910 4.640 -1.514 1.00 0.00 C ATOM 0 H ILE A 23 3.919 5.686 -5.227 1.00 0.00 H new ATOM 0 HA ILE A 23 3.068 3.283 -3.959 1.00 0.00 H new ATOM 0 HB ILE A 23 1.713 5.862 -4.572 1.00 0.00 H new ATOM 0 HG12 ILE A 23 3.651 5.987 -3.010 1.00 0.00 H new ATOM 0 HG13 ILE A 23 2.144 6.494 -2.273 1.00 0.00 H new ATOM 0 HG21 ILE A 23 0.020 5.305 -2.820 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -0.066 4.240 -4.243 1.00 0.00 H new ATOM 0 HG23 ILE A 23 0.688 3.657 -2.741 1.00 0.00 H new ATOM 0 HD11 ILE A 23 3.466 5.131 -0.715 1.00 0.00 H new ATOM 0 HD12 ILE A 23 1.948 4.300 -1.131 1.00 0.00 H new ATOM 0 HD13 ILE A 23 3.478 3.785 -1.879 1.00 0.00 H new ATOM 370 N GLU A 24 1.917 3.838 -6.989 1.00 0.00 N ATOM 371 CA GLU A 24 1.187 3.278 -8.116 1.00 0.00 C ATOM 372 C GLU A 24 1.514 1.792 -8.252 1.00 0.00 C ATOM 373 O GLU A 24 0.620 0.966 -8.437 1.00 0.00 O ATOM 374 CB GLU A 24 1.631 4.040 -9.365 1.00 0.00 C ATOM 375 CG GLU A 24 1.105 3.457 -10.678 1.00 0.00 C ATOM 376 CD GLU A 24 1.396 4.451 -11.790 1.00 0.00 C ATOM 377 OE1 GLU A 24 0.530 5.328 -12.008 1.00 0.00 O ATOM 378 OE2 GLU A 24 2.542 4.448 -12.310 1.00 0.00 O ATOM 0 H GLU A 24 2.476 4.654 -7.240 1.00 0.00 H new ATOM 0 HA GLU A 24 0.110 3.374 -7.976 1.00 0.00 H new ATOM 0 HB2 GLU A 24 1.299 5.075 -9.282 1.00 0.00 H new ATOM 0 HB3 GLU A 24 2.720 4.056 -9.399 1.00 0.00 H new ATOM 0 HG2 GLU A 24 1.584 2.501 -10.888 1.00 0.00 H new ATOM 0 HG3 GLU A 24 0.034 3.268 -10.608 1.00 0.00 H new ATOM 385 N ASN A 25 2.807 1.479 -8.177 1.00 0.00 N ATOM 386 CA ASN A 25 3.360 0.144 -8.279 1.00 0.00 C ATOM 387 C ASN A 25 2.980 -0.656 -7.046 1.00 0.00 C ATOM 388 O ASN A 25 2.420 -1.740 -7.185 1.00 0.00 O ATOM 389 CB ASN A 25 4.866 0.209 -8.529 1.00 0.00 C ATOM 390 CG ASN A 25 5.104 0.565 -9.989 1.00 0.00 C ATOM 391 OD1 ASN A 25 4.881 -0.264 -10.870 1.00 0.00 O ATOM 392 ND2 ASN A 25 5.450 1.801 -10.298 1.00 0.00 N ATOM 0 H ASN A 25 3.526 2.189 -8.037 1.00 0.00 H new ATOM 0 HA ASN A 25 2.938 -0.378 -9.138 1.00 0.00 H new ATOM 0 HB2 ASN A 25 5.325 0.954 -7.879 1.00 0.00 H new ATOM 0 HB3 ASN A 25 5.330 -0.749 -8.293 1.00 0.00 H new ATOM 0 HD21 ASN A 25 5.535 2.077 -11.276 1.00 0.00 H new ATOM 0 HD22 ASN A 25 5.632 2.480 -9.559 1.00 0.00 H new ATOM 399 N VAL A 26 3.238 -0.143 -5.841 1.00 0.00 N ATOM 400 CA VAL A 26 2.890 -0.838 -4.599 1.00 0.00 C ATOM 401 C VAL A 26 1.388 -1.198 -4.599 1.00 0.00 C ATOM 402 O VAL A 26 1.012 -2.314 -4.236 1.00 0.00 O ATOM 403 CB VAL A 26 3.305 0.022 -3.383 1.00 0.00 C ATOM 404 CG1 VAL A 26 2.998 -0.676 -2.050 1.00 0.00 C ATOM 405 CG2 VAL A 26 4.808 0.352 -3.405 1.00 0.00 C ATOM 0 H VAL A 26 3.691 0.760 -5.698 1.00 0.00 H new ATOM 0 HA VAL A 26 3.439 -1.777 -4.527 1.00 0.00 H new ATOM 0 HB VAL A 26 2.720 0.938 -3.460 1.00 0.00 H new ATOM 0 HG11 VAL A 26 3.306 -0.035 -1.224 1.00 0.00 H new ATOM 0 HG12 VAL A 26 1.928 -0.870 -1.979 1.00 0.00 H new ATOM 0 HG13 VAL A 26 3.542 -1.619 -2.000 1.00 0.00 H new ATOM 0 HG21 VAL A 26 5.060 0.957 -2.534 1.00 0.00 H new ATOM 0 HG22 VAL A 26 5.384 -0.573 -3.383 1.00 0.00 H new ATOM 0 HG23 VAL A 26 5.046 0.906 -4.313 1.00 0.00 H new ATOM 415 N LYS A 27 0.522 -0.293 -5.068 1.00 0.00 N ATOM 416 CA LYS A 27 -0.928 -0.476 -5.134 1.00 0.00 C ATOM 417 C LYS A 27 -1.329 -1.410 -6.285 1.00 0.00 C ATOM 418 O LYS A 27 -2.482 -1.835 -6.343 1.00 0.00 O ATOM 419 CB LYS A 27 -1.579 0.914 -5.240 1.00 0.00 C ATOM 420 CG LYS A 27 -3.072 0.936 -4.877 1.00 0.00 C ATOM 421 CD LYS A 27 -3.634 2.367 -4.839 1.00 0.00 C ATOM 422 CE LYS A 27 -3.604 2.993 -6.237 1.00 0.00 C ATOM 423 NZ LYS A 27 -4.530 4.133 -6.387 1.00 0.00 N ATOM 0 H LYS A 27 0.823 0.615 -5.423 1.00 0.00 H new ATOM 0 HA LYS A 27 -1.287 -0.967 -4.230 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -1.047 1.604 -4.585 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -1.458 1.284 -6.258 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -3.631 0.346 -5.604 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -3.216 0.464 -3.905 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -4.657 2.352 -4.463 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -3.049 2.975 -4.149 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -2.590 3.327 -6.456 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -3.855 2.231 -6.974 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -4.462 4.511 -7.354 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -5.504 3.815 -6.208 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -4.278 4.877 -5.706 1.00 0.00 H new ATOM 437 N ALA A 28 -0.424 -1.722 -7.215 1.00 0.00 N ATOM 438 CA ALA A 28 -0.663 -2.627 -8.332 1.00 0.00 C ATOM 439 C ALA A 28 -0.302 -4.045 -7.921 1.00 0.00 C ATOM 440 O ALA A 28 -1.104 -4.961 -8.089 1.00 0.00 O ATOM 441 CB ALA A 28 0.158 -2.207 -9.543 1.00 0.00 C ATOM 0 H ALA A 28 0.521 -1.339 -7.208 1.00 0.00 H new ATOM 0 HA ALA A 28 -1.718 -2.587 -8.603 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -0.033 -2.894 -10.368 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -0.122 -1.196 -9.840 1.00 0.00 H new ATOM 0 HB3 ALA A 28 1.218 -2.230 -9.290 1.00 0.00 H new ATOM 447 N LYS A 29 0.871 -4.217 -7.305 1.00 0.00 N ATOM 448 CA LYS A 29 1.391 -5.499 -6.842 1.00 0.00 C ATOM 449 C LYS A 29 0.347 -6.224 -5.989 1.00 0.00 C ATOM 450 O LYS A 29 0.179 -7.440 -6.111 1.00 0.00 O ATOM 451 CB LYS A 29 2.704 -5.263 -6.075 1.00 0.00 C ATOM 452 CG LYS A 29 3.860 -4.731 -6.948 1.00 0.00 C ATOM 453 CD LYS A 29 5.032 -4.238 -6.078 1.00 0.00 C ATOM 454 CE LYS A 29 6.092 -3.424 -6.833 1.00 0.00 C ATOM 455 NZ LYS A 29 6.626 -4.125 -8.015 1.00 0.00 N ATOM 0 H LYS A 29 1.503 -3.440 -7.110 1.00 0.00 H new ATOM 0 HA LYS A 29 1.605 -6.144 -7.694 1.00 0.00 H new ATOM 0 HB2 LYS A 29 2.518 -4.555 -5.268 1.00 0.00 H new ATOM 0 HB3 LYS A 29 3.015 -6.200 -5.612 1.00 0.00 H new ATOM 0 HG2 LYS A 29 4.206 -5.519 -7.617 1.00 0.00 H new ATOM 0 HG3 LYS A 29 3.500 -3.915 -7.575 1.00 0.00 H new ATOM 0 HD2 LYS A 29 4.634 -3.628 -5.268 1.00 0.00 H new ATOM 0 HD3 LYS A 29 5.515 -5.101 -5.619 1.00 0.00 H new ATOM 0 HE2 LYS A 29 5.657 -2.475 -7.147 1.00 0.00 H new ATOM 0 HE3 LYS A 29 6.913 -3.190 -6.155 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 7.349 -3.533 -8.473 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 7.053 -5.027 -7.721 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 5.854 -4.310 -8.687 1.00 0.00 H new ATOM 469 N ILE A 30 -0.377 -5.502 -5.133 1.00 0.00 N ATOM 470 CA ILE A 30 -1.408 -6.083 -4.279 1.00 0.00 C ATOM 471 C ILE A 30 -2.548 -6.724 -5.089 1.00 0.00 C ATOM 472 O ILE A 30 -3.113 -7.712 -4.624 1.00 0.00 O ATOM 473 CB ILE A 30 -1.909 -5.083 -3.216 1.00 0.00 C ATOM 474 CG1 ILE A 30 -2.463 -3.797 -3.857 1.00 0.00 C ATOM 475 CG2 ILE A 30 -0.775 -4.789 -2.215 1.00 0.00 C ATOM 476 CD1 ILE A 30 -3.146 -2.852 -2.869 1.00 0.00 C ATOM 0 H ILE A 30 -0.263 -4.495 -5.014 1.00 0.00 H new ATOM 0 HA ILE A 30 -0.941 -6.901 -3.730 1.00 0.00 H new ATOM 0 HB ILE A 30 -2.742 -5.532 -2.675 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -1.646 -3.266 -4.345 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -3.176 -4.070 -4.635 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -1.127 -4.083 -1.463 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -0.470 -5.715 -1.728 1.00 0.00 H new ATOM 0 HG23 ILE A 30 0.076 -4.361 -2.745 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -3.508 -1.971 -3.399 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -3.986 -3.363 -2.398 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -2.432 -2.547 -2.104 1.00 0.00 H new ATOM 488 N GLN A 31 -2.866 -6.211 -6.283 1.00 0.00 N ATOM 489 CA GLN A 31 -3.921 -6.720 -7.163 1.00 0.00 C ATOM 490 C GLN A 31 -3.455 -7.987 -7.893 1.00 0.00 C ATOM 491 O GLN A 31 -4.268 -8.734 -8.436 1.00 0.00 O ATOM 492 CB GLN A 31 -4.278 -5.686 -8.249 1.00 0.00 C ATOM 493 CG GLN A 31 -4.469 -4.231 -7.788 1.00 0.00 C ATOM 494 CD GLN A 31 -4.545 -3.264 -8.967 1.00 0.00 C ATOM 495 OE1 GLN A 31 -4.935 -3.621 -10.080 1.00 0.00 O ATOM 496 NE2 GLN A 31 -4.143 -2.024 -8.767 1.00 0.00 N ATOM 0 H GLN A 31 -2.380 -5.404 -6.675 1.00 0.00 H new ATOM 0 HA GLN A 31 -4.784 -6.930 -6.531 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -3.492 -5.702 -9.004 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -5.197 -6.011 -8.738 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -5.382 -4.155 -7.197 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -3.643 -3.945 -7.137 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -3.821 -1.735 -7.843 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -4.154 -1.354 -9.536 1.00 0.00 H new ATOM 505 N ASP A 32 -2.141 -8.209 -7.978 1.00 0.00 N ATOM 506 CA ASP A 32 -1.568 -9.383 -8.636 1.00 0.00 C ATOM 507 C ASP A 32 -1.539 -10.574 -7.676 1.00 0.00 C ATOM 508 O ASP A 32 -1.922 -11.680 -8.055 1.00 0.00 O ATOM 509 CB ASP A 32 -0.161 -9.025 -9.142 1.00 0.00 C ATOM 510 CG ASP A 32 0.746 -10.234 -9.383 1.00 0.00 C ATOM 511 OD1 ASP A 32 0.315 -11.241 -9.992 1.00 0.00 O ATOM 512 OD2 ASP A 32 1.914 -10.189 -8.924 1.00 0.00 O ATOM 0 H ASP A 32 -1.442 -7.575 -7.590 1.00 0.00 H new ATOM 0 HA ASP A 32 -2.184 -9.675 -9.486 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -0.254 -8.463 -10.072 1.00 0.00 H new ATOM 0 HB3 ASP A 32 0.317 -8.365 -8.417 1.00 0.00 H new ATOM 517 N LYS A 33 -1.207 -10.351 -6.398 1.00 0.00 N ATOM 518 CA LYS A 33 -1.141 -11.437 -5.409 1.00 0.00 C ATOM 519 C LYS A 33 -2.454 -11.703 -4.673 1.00 0.00 C ATOM 520 O LYS A 33 -2.522 -12.704 -3.960 1.00 0.00 O ATOM 521 CB LYS A 33 0.015 -11.201 -4.429 1.00 0.00 C ATOM 522 CG LYS A 33 1.290 -11.938 -4.844 1.00 0.00 C ATOM 523 CD LYS A 33 2.453 -11.546 -3.925 1.00 0.00 C ATOM 524 CE LYS A 33 3.653 -12.485 -4.074 1.00 0.00 C ATOM 525 NZ LYS A 33 3.369 -13.859 -3.607 1.00 0.00 N ATOM 0 H LYS A 33 -0.980 -9.430 -6.024 1.00 0.00 H new ATOM 0 HA LYS A 33 -0.951 -12.348 -5.977 1.00 0.00 H new ATOM 0 HB2 LYS A 33 0.221 -10.133 -4.364 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -0.283 -11.529 -3.433 1.00 0.00 H new ATOM 0 HG2 LYS A 33 1.127 -13.015 -4.797 1.00 0.00 H new ATOM 0 HG3 LYS A 33 1.537 -11.697 -5.878 1.00 0.00 H new ATOM 0 HD2 LYS A 33 2.763 -10.525 -4.150 1.00 0.00 H new ATOM 0 HD3 LYS A 33 2.114 -11.555 -2.889 1.00 0.00 H new ATOM 0 HE2 LYS A 33 3.955 -12.517 -5.121 1.00 0.00 H new ATOM 0 HE3 LYS A 33 4.495 -12.082 -3.512 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 4.262 -14.383 -3.507 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 2.885 -13.820 -2.687 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 2.760 -14.342 -4.298 1.00 0.00 H new ATOM 539 N GLU A 34 -3.433 -10.801 -4.727 1.00 0.00 N ATOM 540 CA GLU A 34 -4.727 -10.956 -4.073 1.00 0.00 C ATOM 541 C GLU A 34 -5.776 -10.441 -5.064 1.00 0.00 C ATOM 542 O GLU A 34 -5.495 -9.514 -5.829 1.00 0.00 O ATOM 543 CB GLU A 34 -4.710 -10.153 -2.758 1.00 0.00 C ATOM 544 CG GLU A 34 -5.876 -10.440 -1.799 1.00 0.00 C ATOM 545 CD GLU A 34 -5.639 -11.645 -0.878 1.00 0.00 C ATOM 546 OE1 GLU A 34 -6.304 -11.730 0.181 1.00 0.00 O ATOM 547 OE2 GLU A 34 -4.780 -12.505 -1.168 1.00 0.00 O ATOM 0 H GLU A 34 -3.344 -9.923 -5.239 1.00 0.00 H new ATOM 0 HA GLU A 34 -4.956 -11.990 -3.814 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -3.774 -10.358 -2.238 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -4.713 -9.090 -3.000 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -6.056 -9.556 -1.187 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -6.780 -10.613 -2.383 1.00 0.00 H new ATOM 554 N GLY A 35 -7.001 -10.966 -5.025 1.00 0.00 N ATOM 555 CA GLY A 35 -8.067 -10.564 -5.935 1.00 0.00 C ATOM 556 C GLY A 35 -8.766 -9.284 -5.494 1.00 0.00 C ATOM 557 O GLY A 35 -9.955 -9.349 -5.186 1.00 0.00 O ATOM 0 H GLY A 35 -7.280 -11.685 -4.357 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -7.652 -10.421 -6.933 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -8.800 -11.367 -6.006 1.00 0.00 H new ATOM 561 N ILE A 36 -8.067 -8.141 -5.464 1.00 0.00 N ATOM 562 CA ILE A 36 -8.650 -6.863 -5.045 1.00 0.00 C ATOM 563 C ILE A 36 -8.408 -5.761 -6.110 1.00 0.00 C ATOM 564 O ILE A 36 -7.304 -5.221 -6.181 1.00 0.00 O ATOM 565 CB ILE A 36 -8.140 -6.521 -3.617 1.00 0.00 C ATOM 566 CG1 ILE A 36 -6.597 -6.536 -3.452 1.00 0.00 C ATOM 567 CG2 ILE A 36 -8.775 -7.523 -2.626 1.00 0.00 C ATOM 568 CD1 ILE A 36 -6.106 -6.035 -2.088 1.00 0.00 C ATOM 0 H ILE A 36 -7.084 -8.078 -5.729 1.00 0.00 H new ATOM 0 HA ILE A 36 -9.736 -6.935 -4.979 1.00 0.00 H new ATOM 0 HB ILE A 36 -8.439 -5.492 -3.416 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -6.236 -7.553 -3.604 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -6.153 -5.920 -4.234 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -8.431 -7.303 -1.615 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -9.861 -7.437 -2.667 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -8.481 -8.537 -2.896 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -5.017 -6.078 -2.055 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -6.433 -5.006 -1.939 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -6.518 -6.665 -1.299 1.00 0.00 H new ATOM 580 N PRO A 37 -9.435 -5.340 -6.879 1.00 0.00 N ATOM 581 CA PRO A 37 -9.317 -4.311 -7.920 1.00 0.00 C ATOM 582 C PRO A 37 -8.983 -2.900 -7.396 1.00 0.00 C ATOM 583 O PRO A 37 -9.146 -2.623 -6.199 1.00 0.00 O ATOM 584 CB PRO A 37 -10.688 -4.275 -8.620 1.00 0.00 C ATOM 585 CG PRO A 37 -11.326 -5.617 -8.291 1.00 0.00 C ATOM 586 CD PRO A 37 -10.778 -5.904 -6.899 1.00 0.00 C ATOM 0 HA PRO A 37 -8.486 -4.573 -8.575 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -11.297 -3.447 -8.256 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -10.580 -4.141 -9.696 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -12.415 -5.562 -8.296 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -11.042 -6.389 -9.007 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -11.404 -5.451 -6.131 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -10.755 -6.976 -6.701 1.00 0.00 H new ATOM 594 N PRO A 38 -8.564 -1.961 -8.269 1.00 0.00 N ATOM 595 CA PRO A 38 -8.243 -0.578 -7.916 1.00 0.00 C ATOM 596 C PRO A 38 -9.534 0.264 -7.836 1.00 0.00 C ATOM 597 O PRO A 38 -9.661 1.324 -8.462 1.00 0.00 O ATOM 598 CB PRO A 38 -7.289 -0.119 -9.020 1.00 0.00 C ATOM 599 CG PRO A 38 -7.855 -0.819 -10.250 1.00 0.00 C ATOM 600 CD PRO A 38 -8.314 -2.168 -9.692 1.00 0.00 C ATOM 0 HA PRO A 38 -7.778 -0.471 -6.936 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -7.289 0.965 -9.133 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -6.260 -0.418 -8.819 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -8.682 -0.260 -10.689 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -7.102 -0.939 -11.029 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -9.216 -2.512 -10.199 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -7.551 -2.932 -9.845 1.00 0.00 H new ATOM 608 N ASP A 39 -10.456 -0.168 -6.979 1.00 0.00 N ATOM 609 CA ASP A 39 -11.777 0.389 -6.702 1.00 0.00 C ATOM 610 C ASP A 39 -12.011 0.161 -5.216 1.00 0.00 C ATOM 611 O ASP A 39 -11.694 -0.917 -4.708 1.00 0.00 O ATOM 612 CB ASP A 39 -12.833 -0.338 -7.545 1.00 0.00 C ATOM 613 CG ASP A 39 -14.256 -0.031 -7.090 1.00 0.00 C ATOM 614 OD1 ASP A 39 -14.559 1.146 -6.808 1.00 0.00 O ATOM 615 OD2 ASP A 39 -15.076 -0.975 -7.009 1.00 0.00 O ATOM 0 H ASP A 39 -10.280 -0.994 -6.408 1.00 0.00 H new ATOM 0 HA ASP A 39 -11.843 1.448 -6.952 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -12.719 -0.051 -8.590 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -12.661 -1.413 -7.489 1.00 0.00 H new ATOM 620 N GLN A 40 -12.491 1.199 -4.521 1.00 0.00 N ATOM 621 CA GLN A 40 -12.754 1.239 -3.080 1.00 0.00 C ATOM 622 C GLN A 40 -11.588 0.602 -2.315 1.00 0.00 C ATOM 623 O GLN A 40 -11.763 -0.314 -1.514 1.00 0.00 O ATOM 624 CB GLN A 40 -14.131 0.661 -2.697 1.00 0.00 C ATOM 625 CG GLN A 40 -15.315 1.200 -3.502 1.00 0.00 C ATOM 626 CD GLN A 40 -15.223 2.702 -3.747 1.00 0.00 C ATOM 627 OE1 GLN A 40 -15.207 3.507 -2.818 1.00 0.00 O ATOM 628 NE2 GLN A 40 -15.081 3.111 -4.992 1.00 0.00 N ATOM 0 H GLN A 40 -12.719 2.083 -4.976 1.00 0.00 H new ATOM 0 HA GLN A 40 -12.814 2.285 -2.778 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -14.097 -0.422 -2.814 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -14.310 0.862 -1.641 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -15.364 0.682 -4.460 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -16.241 0.978 -2.972 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -15.096 2.435 -5.756 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -14.956 4.103 -5.192 1.00 0.00 H new ATOM 637 N ASN A 41 -10.370 1.054 -2.620 1.00 0.00 N ATOM 638 CA ASN A 41 -9.144 0.571 -2.014 1.00 0.00 C ATOM 639 C ASN A 41 -8.137 1.715 -2.019 1.00 0.00 C ATOM 640 O ASN A 41 -7.962 2.368 -3.050 1.00 0.00 O ATOM 641 CB ASN A 41 -8.578 -0.611 -2.830 1.00 0.00 C ATOM 642 CG ASN A 41 -9.154 -1.956 -2.414 1.00 0.00 C ATOM 643 OD1 ASN A 41 -9.023 -2.350 -1.258 1.00 0.00 O ATOM 644 ND2 ASN A 41 -9.766 -2.708 -3.311 1.00 0.00 N ATOM 0 H ASN A 41 -10.213 1.785 -3.314 1.00 0.00 H new ATOM 0 HA ASN A 41 -9.339 0.230 -0.997 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -8.784 -0.446 -3.887 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -7.494 -0.636 -2.717 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -10.133 -3.622 -3.045 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -9.871 -2.375 -4.269 1.00 0.00 H new ATOM 651 N ARG A 42 -7.441 1.957 -0.911 1.00 0.00 N ATOM 652 CA ARG A 42 -6.449 3.015 -0.764 1.00 0.00 C ATOM 653 C ARG A 42 -5.456 2.572 0.305 1.00 0.00 C ATOM 654 O ARG A 42 -5.843 1.966 1.305 1.00 0.00 O ATOM 655 CB ARG A 42 -7.182 4.310 -0.408 1.00 0.00 C ATOM 656 CG ARG A 42 -6.299 5.555 -0.450 1.00 0.00 C ATOM 657 CD ARG A 42 -7.147 6.771 -0.062 1.00 0.00 C ATOM 658 NE ARG A 42 -7.962 7.258 -1.182 1.00 0.00 N ATOM 659 CZ ARG A 42 -7.644 8.259 -2.007 1.00 0.00 C ATOM 660 NH1 ARG A 42 -6.488 8.903 -1.881 1.00 0.00 N ATOM 661 NH2 ARG A 42 -8.491 8.603 -2.962 1.00 0.00 N ATOM 0 H ARG A 42 -7.557 1.402 -0.063 1.00 0.00 H new ATOM 0 HA ARG A 42 -5.890 3.202 -1.681 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -8.016 4.445 -1.097 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -7.607 4.212 0.591 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -5.459 5.446 0.236 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -5.881 5.688 -1.448 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -7.798 6.507 0.771 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -6.494 7.572 0.285 1.00 0.00 H new ATOM 0 HE ARG A 42 -8.853 6.789 -1.345 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -5.832 8.634 -1.148 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -6.257 9.666 -2.518 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -9.376 8.106 -3.062 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -8.260 9.366 -3.598 1.00 0.00 H new ATOM 675 N LEU A 43 -4.185 2.899 0.096 1.00 0.00 N ATOM 676 CA LEU A 43 -3.072 2.537 0.960 1.00 0.00 C ATOM 677 C LEU A 43 -2.826 3.566 2.071 1.00 0.00 C ATOM 678 O LEU A 43 -2.972 4.778 1.865 1.00 0.00 O ATOM 679 CB LEU A 43 -1.854 2.378 0.034 1.00 0.00 C ATOM 680 CG LEU A 43 -0.689 1.546 0.590 1.00 0.00 C ATOM 681 CD1 LEU A 43 -1.038 0.064 0.769 1.00 0.00 C ATOM 682 CD2 LEU A 43 0.464 1.640 -0.415 1.00 0.00 C ATOM 0 H LEU A 43 -3.893 3.446 -0.714 1.00 0.00 H new ATOM 0 HA LEU A 43 -3.284 1.611 1.495 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -2.188 1.921 -0.898 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -1.479 3.371 -0.214 1.00 0.00 H new ATOM 0 HG LEU A 43 -0.434 1.943 1.573 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -0.173 -0.468 1.165 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -1.872 -0.032 1.464 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -1.317 -0.363 -0.194 1.00 0.00 H new ATOM 0 HD21 LEU A 43 1.312 1.059 -0.052 1.00 0.00 H new ATOM 0 HD22 LEU A 43 0.140 1.246 -1.378 1.00 0.00 H new ATOM 0 HD23 LEU A 43 0.762 2.682 -0.531 1.00 0.00 H new ATOM 694 N ILE A 44 -2.456 3.073 3.257 1.00 0.00 N ATOM 695 CA ILE A 44 -2.153 3.834 4.470 1.00 0.00 C ATOM 696 C ILE A 44 -0.872 3.254 5.096 1.00 0.00 C ATOM 697 O ILE A 44 -0.661 2.042 5.024 1.00 0.00 O ATOM 698 CB ILE A 44 -3.312 3.678 5.499 1.00 0.00 C ATOM 699 CG1 ILE A 44 -4.743 3.933 4.977 1.00 0.00 C ATOM 700 CG2 ILE A 44 -3.079 4.525 6.767 1.00 0.00 C ATOM 701 CD1 ILE A 44 -5.116 5.411 4.850 1.00 0.00 C ATOM 0 H ILE A 44 -2.354 2.069 3.403 1.00 0.00 H new ATOM 0 HA ILE A 44 -2.027 4.887 4.218 1.00 0.00 H new ATOM 0 HB ILE A 44 -3.271 2.614 5.730 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -4.851 3.459 4.002 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -5.453 3.448 5.647 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -3.912 4.385 7.456 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -2.153 4.212 7.249 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -3.007 5.578 6.493 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -6.137 5.498 4.477 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -5.045 5.890 5.827 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -4.433 5.900 4.155 1.00 0.00 H new ATOM 713 N PHE A 45 -0.047 4.065 5.761 1.00 0.00 N ATOM 714 CA PHE A 45 1.171 3.629 6.447 1.00 0.00 C ATOM 715 C PHE A 45 1.203 4.385 7.772 1.00 0.00 C ATOM 716 O PHE A 45 1.335 5.608 7.765 1.00 0.00 O ATOM 717 CB PHE A 45 2.426 3.909 5.615 1.00 0.00 C ATOM 718 CG PHE A 45 3.729 3.702 6.366 1.00 0.00 C ATOM 719 CD1 PHE A 45 4.040 2.449 6.925 1.00 0.00 C ATOM 720 CD2 PHE A 45 4.626 4.772 6.529 1.00 0.00 C ATOM 721 CE1 PHE A 45 5.227 2.273 7.656 1.00 0.00 C ATOM 722 CE2 PHE A 45 5.828 4.587 7.232 1.00 0.00 C ATOM 723 CZ PHE A 45 6.126 3.341 7.804 1.00 0.00 C ATOM 0 H PHE A 45 -0.212 5.069 5.839 1.00 0.00 H new ATOM 0 HA PHE A 45 1.161 2.551 6.605 1.00 0.00 H new ATOM 0 HB2 PHE A 45 2.419 3.262 4.738 1.00 0.00 H new ATOM 0 HB3 PHE A 45 2.387 4.937 5.254 1.00 0.00 H new ATOM 0 HD1 PHE A 45 3.363 1.618 6.792 1.00 0.00 H new ATOM 0 HD2 PHE A 45 4.390 5.740 6.112 1.00 0.00 H new ATOM 0 HE1 PHE A 45 5.448 1.316 8.104 1.00 0.00 H new ATOM 0 HE2 PHE A 45 6.525 5.406 7.332 1.00 0.00 H new ATOM 0 HZ PHE A 45 7.044 3.204 8.356 1.00 0.00 H new ATOM 733 N ALA A 46 1.100 3.675 8.901 1.00 0.00 N ATOM 734 CA ALA A 46 1.090 4.259 10.245 1.00 0.00 C ATOM 735 C ALA A 46 0.096 5.436 10.323 1.00 0.00 C ATOM 736 O ALA A 46 0.413 6.509 10.835 1.00 0.00 O ATOM 737 CB ALA A 46 2.518 4.623 10.674 1.00 0.00 C ATOM 0 H ALA A 46 1.020 2.658 8.905 1.00 0.00 H new ATOM 0 HA ALA A 46 0.731 3.522 10.964 1.00 0.00 H new ATOM 0 HB1 ALA A 46 2.498 5.056 11.674 1.00 0.00 H new ATOM 0 HB2 ALA A 46 3.136 3.725 10.679 1.00 0.00 H new ATOM 0 HB3 ALA A 46 2.935 5.347 9.974 1.00 0.00 H new ATOM 743 N GLY A 47 -1.093 5.263 9.734 1.00 0.00 N ATOM 744 CA GLY A 47 -2.157 6.261 9.705 1.00 0.00 C ATOM 745 C GLY A 47 -2.000 7.335 8.622 1.00 0.00 C ATOM 746 O GLY A 47 -2.955 8.068 8.368 1.00 0.00 O ATOM 0 H GLY A 47 -1.344 4.400 9.252 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -3.110 5.752 9.557 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -2.204 6.750 10.678 1.00 0.00 H new ATOM 750 N LYS A 48 -0.837 7.464 7.981 1.00 0.00 N ATOM 751 CA LYS A 48 -0.584 8.453 6.935 1.00 0.00 C ATOM 752 C LYS A 48 -1.179 7.961 5.621 1.00 0.00 C ATOM 753 O LYS A 48 -0.941 6.820 5.222 1.00 0.00 O ATOM 754 CB LYS A 48 0.925 8.694 6.826 1.00 0.00 C ATOM 755 CG LYS A 48 1.295 9.748 5.778 1.00 0.00 C ATOM 756 CD LYS A 48 2.774 10.130 5.922 1.00 0.00 C ATOM 757 CE LYS A 48 2.970 11.173 7.036 1.00 0.00 C ATOM 758 NZ LYS A 48 3.313 12.497 6.487 1.00 0.00 N ATOM 0 H LYS A 48 -0.030 6.872 8.179 1.00 0.00 H new ATOM 0 HA LYS A 48 -1.059 9.403 7.180 1.00 0.00 H new ATOM 0 HB2 LYS A 48 1.307 9.008 7.797 1.00 0.00 H new ATOM 0 HB3 LYS A 48 1.419 7.755 6.577 1.00 0.00 H new ATOM 0 HG2 LYS A 48 1.106 9.360 4.777 1.00 0.00 H new ATOM 0 HG3 LYS A 48 0.668 10.631 5.901 1.00 0.00 H new ATOM 0 HD2 LYS A 48 3.363 9.240 6.145 1.00 0.00 H new ATOM 0 HD3 LYS A 48 3.144 10.528 4.977 1.00 0.00 H new ATOM 0 HE2 LYS A 48 2.058 11.249 7.628 1.00 0.00 H new ATOM 0 HE3 LYS A 48 3.760 10.842 7.710 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 3.438 13.174 7.266 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 4.197 12.429 5.943 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 2.547 12.823 5.864 1.00 0.00 H new ATOM 772 N GLN A 49 -1.965 8.815 4.972 1.00 0.00 N ATOM 773 CA GLN A 49 -2.639 8.560 3.708 1.00 0.00 C ATOM 774 C GLN A 49 -1.627 8.616 2.569 1.00 0.00 C ATOM 775 O GLN A 49 -0.901 9.606 2.461 1.00 0.00 O ATOM 776 CB GLN A 49 -3.724 9.629 3.465 1.00 0.00 C ATOM 777 CG GLN A 49 -4.831 9.697 4.531 1.00 0.00 C ATOM 778 CD GLN A 49 -4.439 10.435 5.815 1.00 0.00 C ATOM 779 OE1 GLN A 49 -3.374 11.043 5.926 1.00 0.00 O ATOM 780 NE2 GLN A 49 -5.299 10.395 6.813 1.00 0.00 N ATOM 0 H GLN A 49 -2.157 9.749 5.333 1.00 0.00 H new ATOM 0 HA GLN A 49 -3.101 7.573 3.747 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -3.242 10.605 3.403 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -4.186 9.440 2.496 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -5.703 10.187 4.098 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -5.131 8.681 4.789 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -6.178 9.888 6.709 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -5.086 10.871 7.689 1.00 0.00 H new ATOM 789 N LEU A 50 -1.602 7.592 1.707 1.00 0.00 N ATOM 790 CA LEU A 50 -0.682 7.507 0.574 1.00 0.00 C ATOM 791 C LEU A 50 -1.457 7.335 -0.730 1.00 0.00 C ATOM 792 O LEU A 50 -2.518 6.699 -0.740 1.00 0.00 O ATOM 793 CB LEU A 50 0.252 6.290 0.715 1.00 0.00 C ATOM 794 CG LEU A 50 0.791 5.945 2.114 1.00 0.00 C ATOM 795 CD1 LEU A 50 1.581 4.641 2.014 1.00 0.00 C ATOM 796 CD2 LEU A 50 1.697 7.024 2.702 1.00 0.00 C ATOM 0 H LEU A 50 -2.229 6.791 1.781 1.00 0.00 H new ATOM 0 HA LEU A 50 -0.102 8.430 0.561 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -0.280 5.416 0.339 1.00 0.00 H new ATOM 0 HB3 LEU A 50 1.108 6.449 0.059 1.00 0.00 H new ATOM 0 HG LEU A 50 -0.067 5.857 2.780 1.00 0.00 H new ATOM 0 HD11 LEU A 50 1.973 4.377 2.996 1.00 0.00 H new ATOM 0 HD12 LEU A 50 0.926 3.845 1.659 1.00 0.00 H new ATOM 0 HD13 LEU A 50 2.408 4.769 1.316 1.00 0.00 H new ATOM 0 HD21 LEU A 50 2.040 6.713 3.689 1.00 0.00 H new ATOM 0 HD22 LEU A 50 2.557 7.172 2.049 1.00 0.00 H new ATOM 0 HD23 LEU A 50 1.142 7.958 2.788 1.00 0.00 H new ATOM 808 N GLU A 51 -0.935 7.847 -1.839 1.00 0.00 N ATOM 809 CA GLU A 51 -1.524 7.744 -3.168 1.00 0.00 C ATOM 810 C GLU A 51 -0.393 7.788 -4.206 1.00 0.00 C ATOM 811 O GLU A 51 0.773 7.983 -3.853 1.00 0.00 O ATOM 812 CB GLU A 51 -2.646 8.774 -3.411 1.00 0.00 C ATOM 813 CG GLU A 51 -2.252 10.256 -3.298 1.00 0.00 C ATOM 814 CD GLU A 51 -2.308 10.863 -1.890 1.00 0.00 C ATOM 815 OE1 GLU A 51 -1.844 12.017 -1.729 1.00 0.00 O ATOM 816 OE2 GLU A 51 -2.842 10.246 -0.942 1.00 0.00 O ATOM 0 H GLU A 51 -0.056 8.365 -1.836 1.00 0.00 H new ATOM 0 HA GLU A 51 -2.039 6.788 -3.266 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -3.055 8.605 -4.407 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -3.448 8.579 -2.700 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -1.238 10.372 -3.682 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -2.907 10.836 -3.948 1.00 0.00 H new ATOM 823 N ASP A 52 -0.740 7.622 -5.482 1.00 0.00 N ATOM 824 CA ASP A 52 0.182 7.575 -6.611 1.00 0.00 C ATOM 825 C ASP A 52 0.790 8.925 -6.958 1.00 0.00 C ATOM 826 O ASP A 52 0.344 9.978 -6.511 1.00 0.00 O ATOM 827 CB ASP A 52 -0.502 6.974 -7.845 1.00 0.00 C ATOM 828 CG ASP A 52 -1.592 7.877 -8.410 1.00 0.00 C ATOM 829 OD1 ASP A 52 -2.735 7.768 -7.905 1.00 0.00 O ATOM 830 OD2 ASP A 52 -1.320 8.632 -9.368 1.00 0.00 O ATOM 0 H ASP A 52 -1.713 7.512 -5.767 1.00 0.00 H new ATOM 0 HA ASP A 52 1.006 6.934 -6.297 1.00 0.00 H new ATOM 0 HB2 ASP A 52 0.246 6.788 -8.616 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -0.935 6.009 -7.582 1.00 0.00 H new ATOM 835 N GLY A 53 1.899 8.848 -7.691 1.00 0.00 N ATOM 836 CA GLY A 53 2.693 9.975 -8.146 1.00 0.00 C ATOM 837 C GLY A 53 3.914 10.172 -7.251 1.00 0.00 C ATOM 838 O GLY A 53 4.897 10.761 -7.697 1.00 0.00 O ATOM 0 H GLY A 53 2.282 7.953 -7.995 1.00 0.00 H new ATOM 0 HA2 GLY A 53 3.013 9.809 -9.175 1.00 0.00 H new ATOM 0 HA3 GLY A 53 2.085 10.879 -8.144 1.00 0.00 H new ATOM 842 N ARG A 54 3.881 9.681 -6.005 1.00 0.00 N ATOM 843 CA ARG A 54 4.980 9.803 -5.044 1.00 0.00 C ATOM 844 C ARG A 54 5.693 8.464 -4.840 1.00 0.00 C ATOM 845 O ARG A 54 5.151 7.424 -5.233 1.00 0.00 O ATOM 846 CB ARG A 54 4.496 10.438 -3.728 1.00 0.00 C ATOM 847 CG ARG A 54 3.267 11.370 -3.828 1.00 0.00 C ATOM 848 CD ARG A 54 3.528 12.685 -4.583 1.00 0.00 C ATOM 849 NE ARG A 54 4.400 13.580 -3.813 1.00 0.00 N ATOM 850 CZ ARG A 54 5.732 13.653 -3.888 1.00 0.00 C ATOM 851 NH1 ARG A 54 6.392 13.010 -4.849 1.00 0.00 N ATOM 852 NH2 ARG A 54 6.396 14.325 -2.960 1.00 0.00 N ATOM 0 H ARG A 54 3.075 9.180 -5.632 1.00 0.00 H new ATOM 0 HA ARG A 54 5.725 10.482 -5.458 1.00 0.00 H new ATOM 0 HB2 ARG A 54 4.261 9.636 -3.028 1.00 0.00 H new ATOM 0 HB3 ARG A 54 5.321 11.005 -3.298 1.00 0.00 H new ATOM 0 HG2 ARG A 54 2.459 10.834 -4.325 1.00 0.00 H new ATOM 0 HG3 ARG A 54 2.921 11.605 -2.821 1.00 0.00 H new ATOM 0 HD2 ARG A 54 3.987 12.468 -5.547 1.00 0.00 H new ATOM 0 HD3 ARG A 54 2.580 13.184 -4.786 1.00 0.00 H new ATOM 0 HE ARG A 54 3.943 14.210 -3.154 1.00 0.00 H new ATOM 0 HH11 ARG A 54 5.881 12.456 -5.536 1.00 0.00 H new ATOM 0 HH12 ARG A 54 7.409 13.072 -4.898 1.00 0.00 H new ATOM 0 HH21 ARG A 54 5.890 14.779 -2.199 1.00 0.00 H new ATOM 0 HH22 ARG A 54 7.413 14.388 -3.006 1.00 0.00 H new ATOM 866 N THR A 55 6.833 8.481 -4.152 1.00 0.00 N ATOM 867 CA THR A 55 7.679 7.320 -3.877 1.00 0.00 C ATOM 868 C THR A 55 7.799 7.006 -2.380 1.00 0.00 C ATOM 869 O THR A 55 7.359 7.791 -1.533 1.00 0.00 O ATOM 870 CB THR A 55 9.089 7.620 -4.431 1.00 0.00 C ATOM 871 OG1 THR A 55 9.651 8.750 -3.781 1.00 0.00 O ATOM 872 CG2 THR A 55 9.138 7.824 -5.948 1.00 0.00 C ATOM 0 H THR A 55 7.209 9.341 -3.753 1.00 0.00 H new ATOM 0 HA THR A 55 7.222 6.452 -4.352 1.00 0.00 H new ATOM 0 HB THR A 55 9.678 6.728 -4.220 1.00 0.00 H new ATOM 0 HG1 THR A 55 9.138 9.551 -4.016 1.00 0.00 H new ATOM 0 HG21 THR A 55 10.164 8.030 -6.255 1.00 0.00 H new ATOM 0 HG22 THR A 55 8.784 6.923 -6.448 1.00 0.00 H new ATOM 0 HG23 THR A 55 8.502 8.665 -6.223 1.00 0.00 H new ATOM 880 N LEU A 56 8.404 5.853 -2.050 1.00 0.00 N ATOM 881 CA LEU A 56 8.642 5.416 -0.672 1.00 0.00 C ATOM 882 C LEU A 56 9.362 6.540 0.087 1.00 0.00 C ATOM 883 O LEU A 56 8.987 6.886 1.205 1.00 0.00 O ATOM 884 CB LEU A 56 9.488 4.119 -0.617 1.00 0.00 C ATOM 885 CG LEU A 56 8.713 2.842 -0.225 1.00 0.00 C ATOM 886 CD1 LEU A 56 8.239 2.045 -1.444 1.00 0.00 C ATOM 887 CD2 LEU A 56 9.601 1.914 0.609 1.00 0.00 C ATOM 0 H LEU A 56 8.745 5.191 -2.747 1.00 0.00 H new ATOM 0 HA LEU A 56 7.680 5.198 -0.208 1.00 0.00 H new ATOM 0 HB2 LEU A 56 9.945 3.961 -1.594 1.00 0.00 H new ATOM 0 HB3 LEU A 56 10.300 4.264 0.095 1.00 0.00 H new ATOM 0 HG LEU A 56 7.845 3.178 0.343 1.00 0.00 H new ATOM 0 HD11 LEU A 56 7.700 1.158 -1.112 1.00 0.00 H new ATOM 0 HD12 LEU A 56 7.578 2.665 -2.050 1.00 0.00 H new ATOM 0 HD13 LEU A 56 9.101 1.744 -2.040 1.00 0.00 H new ATOM 0 HD21 LEU A 56 9.041 1.019 0.877 1.00 0.00 H new ATOM 0 HD22 LEU A 56 10.479 1.632 0.028 1.00 0.00 H new ATOM 0 HD23 LEU A 56 9.916 2.430 1.516 1.00 0.00 H new ATOM 899 N SER A 57 10.407 7.106 -0.524 1.00 0.00 N ATOM 900 CA SER A 57 11.218 8.183 0.037 1.00 0.00 C ATOM 901 C SER A 57 10.419 9.458 0.292 1.00 0.00 C ATOM 902 O SER A 57 10.749 10.210 1.207 1.00 0.00 O ATOM 903 CB SER A 57 12.376 8.495 -0.913 1.00 0.00 C ATOM 904 OG SER A 57 13.154 7.336 -1.096 1.00 0.00 O ATOM 0 H SER A 57 10.719 6.816 -1.451 1.00 0.00 H new ATOM 0 HA SER A 57 11.589 7.836 1.001 1.00 0.00 H new ATOM 0 HB2 SER A 57 11.991 8.843 -1.871 1.00 0.00 H new ATOM 0 HB3 SER A 57 12.990 9.298 -0.505 1.00 0.00 H new ATOM 0 HG SER A 57 12.678 6.712 -1.683 1.00 0.00 H new ATOM 910 N ASP A 58 9.404 9.762 -0.516 1.00 0.00 N ATOM 911 CA ASP A 58 8.593 10.968 -0.335 1.00 0.00 C ATOM 912 C ASP A 58 7.789 10.859 0.944 1.00 0.00 C ATOM 913 O ASP A 58 7.812 11.772 1.775 1.00 0.00 O ATOM 914 CB ASP A 58 7.724 11.236 -1.562 1.00 0.00 C ATOM 915 CG ASP A 58 8.595 11.601 -2.760 1.00 0.00 C ATOM 916 OD1 ASP A 58 8.288 11.120 -3.873 1.00 0.00 O ATOM 917 OD2 ASP A 58 9.579 12.365 -2.578 1.00 0.00 O ATOM 0 H ASP A 58 9.121 9.185 -1.309 1.00 0.00 H new ATOM 0 HA ASP A 58 9.249 11.833 -0.236 1.00 0.00 H new ATOM 0 HB2 ASP A 58 7.128 10.353 -1.793 1.00 0.00 H new ATOM 0 HB3 ASP A 58 7.026 12.046 -1.351 1.00 0.00 H new ATOM 922 N TYR A 59 7.160 9.704 1.170 1.00 0.00 N ATOM 923 CA TYR A 59 6.375 9.465 2.371 1.00 0.00 C ATOM 924 C TYR A 59 7.279 9.033 3.543 1.00 0.00 C ATOM 925 O TYR A 59 6.777 8.843 4.650 1.00 0.00 O ATOM 926 CB TYR A 59 5.298 8.419 2.062 1.00 0.00 C ATOM 927 CG TYR A 59 4.198 8.919 1.143 1.00 0.00 C ATOM 928 CD1 TYR A 59 3.257 9.853 1.620 1.00 0.00 C ATOM 929 CD2 TYR A 59 4.062 8.397 -0.159 1.00 0.00 C ATOM 930 CE1 TYR A 59 2.175 10.249 0.815 1.00 0.00 C ATOM 931 CE2 TYR A 59 2.985 8.799 -0.967 1.00 0.00 C ATOM 932 CZ TYR A 59 2.040 9.730 -0.489 1.00 0.00 C ATOM 933 OH TYR A 59 0.976 10.087 -1.258 1.00 0.00 O ATOM 0 H TYR A 59 7.183 8.914 0.525 1.00 0.00 H new ATOM 0 HA TYR A 59 5.885 10.388 2.680 1.00 0.00 H new ATOM 0 HB2 TYR A 59 5.771 7.549 1.606 1.00 0.00 H new ATOM 0 HB3 TYR A 59 4.851 8.085 2.998 1.00 0.00 H new ATOM 0 HD1 TYR A 59 3.368 10.268 2.611 1.00 0.00 H new ATOM 0 HD2 TYR A 59 4.785 7.689 -0.535 1.00 0.00 H new ATOM 0 HE1 TYR A 59 1.447 10.951 1.195 1.00 0.00 H new ATOM 0 HE2 TYR A 59 2.880 8.392 -1.962 1.00 0.00 H new ATOM 0 HH TYR A 59 1.223 10.029 -2.205 1.00 0.00 H new ATOM 943 N ASN A 60 8.603 8.963 3.335 1.00 0.00 N ATOM 944 CA ASN A 60 9.641 8.576 4.291 1.00 0.00 C ATOM 945 C ASN A 60 9.362 7.183 4.880 1.00 0.00 C ATOM 946 O ASN A 60 9.477 6.938 6.085 1.00 0.00 O ATOM 947 CB ASN A 60 9.819 9.701 5.329 1.00 0.00 C ATOM 948 CG ASN A 60 10.835 9.379 6.414 1.00 0.00 C ATOM 949 OD1 ASN A 60 11.964 8.969 6.142 1.00 0.00 O ATOM 950 ND2 ASN A 60 10.470 9.576 7.668 1.00 0.00 N ATOM 0 H ASN A 60 9.001 9.194 2.425 1.00 0.00 H new ATOM 0 HA ASN A 60 10.603 8.466 3.791 1.00 0.00 H new ATOM 0 HB2 ASN A 60 10.126 10.612 4.815 1.00 0.00 H new ATOM 0 HB3 ASN A 60 8.856 9.908 5.796 1.00 0.00 H new ATOM 0 HD21 ASN A 60 11.126 9.388 8.426 1.00 0.00 H new ATOM 0 HD22 ASN A 60 9.532 9.916 7.879 1.00 0.00 H new ATOM 957 N ILE A 61 9.033 6.239 4.001 1.00 0.00 N ATOM 958 CA ILE A 61 8.746 4.846 4.312 1.00 0.00 C ATOM 959 C ILE A 61 10.092 4.120 4.230 1.00 0.00 C ATOM 960 O ILE A 61 10.808 4.275 3.232 1.00 0.00 O ATOM 961 CB ILE A 61 7.717 4.285 3.299 1.00 0.00 C ATOM 962 CG1 ILE A 61 6.399 5.091 3.349 1.00 0.00 C ATOM 963 CG2 ILE A 61 7.434 2.797 3.568 1.00 0.00 C ATOM 964 CD1 ILE A 61 5.396 4.750 2.242 1.00 0.00 C ATOM 0 H ILE A 61 8.956 6.438 3.004 1.00 0.00 H new ATOM 0 HA ILE A 61 8.304 4.717 5.300 1.00 0.00 H new ATOM 0 HB ILE A 61 8.148 4.382 2.302 1.00 0.00 H new ATOM 0 HG12 ILE A 61 5.923 4.923 4.315 1.00 0.00 H new ATOM 0 HG13 ILE A 61 6.636 6.153 3.290 1.00 0.00 H new ATOM 0 HG21 ILE A 61 6.709 2.428 2.843 1.00 0.00 H new ATOM 0 HG22 ILE A 61 8.359 2.228 3.477 1.00 0.00 H new ATOM 0 HG23 ILE A 61 7.033 2.679 4.575 1.00 0.00 H new ATOM 0 HD11 ILE A 61 4.503 5.364 2.358 1.00 0.00 H new ATOM 0 HD12 ILE A 61 5.847 4.946 1.269 1.00 0.00 H new ATOM 0 HD13 ILE A 61 5.123 3.697 2.310 1.00 0.00 H new ATOM 976 N GLN A 62 10.473 3.385 5.279 1.00 0.00 N ATOM 977 CA GLN A 62 11.729 2.636 5.314 1.00 0.00 C ATOM 978 C GLN A 62 11.467 1.152 5.051 1.00 0.00 C ATOM 979 O GLN A 62 10.326 0.734 4.832 1.00 0.00 O ATOM 980 CB GLN A 62 12.495 2.878 6.630 1.00 0.00 C ATOM 981 CG GLN A 62 12.647 4.369 6.981 1.00 0.00 C ATOM 982 CD GLN A 62 13.267 5.158 5.835 1.00 0.00 C ATOM 983 OE1 GLN A 62 14.316 4.790 5.313 1.00 0.00 O ATOM 984 NE2 GLN A 62 12.642 6.233 5.392 1.00 0.00 N ATOM 0 H GLN A 62 9.917 3.294 6.129 1.00 0.00 H new ATOM 0 HA GLN A 62 12.376 3.001 4.516 1.00 0.00 H new ATOM 0 HB2 GLN A 62 11.975 2.372 7.443 1.00 0.00 H new ATOM 0 HB3 GLN A 62 13.484 2.427 6.555 1.00 0.00 H new ATOM 0 HG2 GLN A 62 11.670 4.787 7.224 1.00 0.00 H new ATOM 0 HG3 GLN A 62 13.268 4.472 7.871 1.00 0.00 H new ATOM 0 HE21 GLN A 62 11.771 6.533 5.830 1.00 0.00 H new ATOM 0 HE22 GLN A 62 13.030 6.763 4.612 1.00 0.00 H new ATOM 993 N LYS A 63 12.542 0.360 5.024 1.00 0.00 N ATOM 994 CA LYS A 63 12.468 -1.078 4.795 1.00 0.00 C ATOM 995 C LYS A 63 11.721 -1.766 5.932 1.00 0.00 C ATOM 996 O LYS A 63 11.648 -1.235 7.045 1.00 0.00 O ATOM 997 CB LYS A 63 13.870 -1.678 4.574 1.00 0.00 C ATOM 998 CG LYS A 63 14.743 -1.739 5.838 1.00 0.00 C ATOM 999 CD LYS A 63 16.115 -2.344 5.520 1.00 0.00 C ATOM 1000 CE LYS A 63 16.998 -2.326 6.772 1.00 0.00 C ATOM 1001 NZ LYS A 63 18.398 -2.677 6.465 1.00 0.00 N ATOM 0 H LYS A 63 13.492 0.704 5.162 1.00 0.00 H new ATOM 0 HA LYS A 63 11.901 -1.253 3.881 1.00 0.00 H new ATOM 0 HB2 LYS A 63 13.761 -2.686 4.174 1.00 0.00 H new ATOM 0 HB3 LYS A 63 14.389 -1.089 3.818 1.00 0.00 H new ATOM 0 HG2 LYS A 63 14.868 -0.737 6.248 1.00 0.00 H new ATOM 0 HG3 LYS A 63 14.245 -2.336 6.602 1.00 0.00 H new ATOM 0 HD2 LYS A 63 15.997 -3.367 5.163 1.00 0.00 H new ATOM 0 HD3 LYS A 63 16.594 -1.780 4.719 1.00 0.00 H new ATOM 0 HE2 LYS A 63 16.964 -1.336 7.226 1.00 0.00 H new ATOM 0 HE3 LYS A 63 16.601 -3.027 7.506 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 18.961 -2.653 7.339 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 18.435 -3.632 6.055 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 18.786 -1.993 5.784 1.00 0.00 H new ATOM 1015 N GLU A 64 11.175 -2.942 5.642 1.00 0.00 N ATOM 1016 CA GLU A 64 10.429 -3.770 6.571 1.00 0.00 C ATOM 1017 C GLU A 64 9.307 -2.970 7.252 1.00 0.00 C ATOM 1018 O GLU A 64 9.214 -2.907 8.478 1.00 0.00 O ATOM 1019 CB GLU A 64 11.405 -4.544 7.477 1.00 0.00 C ATOM 1020 CG GLU A 64 12.119 -5.695 6.732 1.00 0.00 C ATOM 1021 CD GLU A 64 13.235 -5.283 5.751 1.00 0.00 C ATOM 1022 OE1 GLU A 64 12.973 -5.046 4.550 1.00 0.00 O ATOM 1023 OE2 GLU A 64 14.419 -5.289 6.164 1.00 0.00 O ATOM 0 H GLU A 64 11.245 -3.358 4.713 1.00 0.00 H new ATOM 0 HA GLU A 64 9.874 -4.552 6.052 1.00 0.00 H new ATOM 0 HB2 GLU A 64 12.151 -3.855 7.874 1.00 0.00 H new ATOM 0 HB3 GLU A 64 10.860 -4.950 8.329 1.00 0.00 H new ATOM 0 HG2 GLU A 64 12.547 -6.370 7.474 1.00 0.00 H new ATOM 0 HG3 GLU A 64 11.370 -6.262 6.180 1.00 0.00 H new ATOM 1030 N SER A 65 8.555 -2.207 6.451 1.00 0.00 N ATOM 1031 CA SER A 65 7.405 -1.408 6.860 1.00 0.00 C ATOM 1032 C SER A 65 6.118 -2.260 6.783 1.00 0.00 C ATOM 1033 O SER A 65 6.073 -3.268 6.072 1.00 0.00 O ATOM 1034 CB SER A 65 7.330 -0.120 6.025 1.00 0.00 C ATOM 1035 OG SER A 65 7.828 -0.277 4.717 1.00 0.00 O ATOM 0 H SER A 65 8.745 -2.129 5.452 1.00 0.00 H new ATOM 0 HA SER A 65 7.516 -1.098 7.899 1.00 0.00 H new ATOM 0 HB2 SER A 65 6.293 0.213 5.975 1.00 0.00 H new ATOM 0 HB3 SER A 65 7.893 0.666 6.529 1.00 0.00 H new ATOM 0 HG SER A 65 8.791 -0.095 4.710 1.00 0.00 H new ATOM 1041 N THR A 66 5.044 -1.844 7.464 1.00 0.00 N ATOM 1042 CA THR A 66 3.744 -2.516 7.484 1.00 0.00 C ATOM 1043 C THR A 66 2.700 -1.473 7.093 1.00 0.00 C ATOM 1044 O THR A 66 2.505 -0.484 7.804 1.00 0.00 O ATOM 1045 CB THR A 66 3.442 -3.107 8.874 1.00 0.00 C ATOM 1046 OG1 THR A 66 4.561 -3.560 9.597 1.00 0.00 O ATOM 1047 CG2 THR A 66 2.545 -4.319 8.706 1.00 0.00 C ATOM 0 H THR A 66 5.059 -1.000 8.036 1.00 0.00 H new ATOM 0 HA THR A 66 3.735 -3.353 6.786 1.00 0.00 H new ATOM 0 HB THR A 66 2.995 -2.284 9.432 1.00 0.00 H new ATOM 0 HG1 THR A 66 4.269 -3.914 10.463 1.00 0.00 H new ATOM 0 HG21 THR A 66 2.324 -4.747 9.684 1.00 0.00 H new ATOM 0 HG22 THR A 66 1.615 -4.019 8.223 1.00 0.00 H new ATOM 0 HG23 THR A 66 3.050 -5.063 8.091 1.00 0.00 H new ATOM 1055 N LEU A 67 2.015 -1.685 5.975 1.00 0.00 N ATOM 1056 CA LEU A 67 0.998 -0.788 5.456 1.00 0.00 C ATOM 1057 C LEU A 67 -0.381 -1.437 5.622 1.00 0.00 C ATOM 1058 O LEU A 67 -0.483 -2.639 5.894 1.00 0.00 O ATOM 1059 CB LEU A 67 1.321 -0.451 3.987 1.00 0.00 C ATOM 1060 CG LEU A 67 2.665 0.291 3.767 1.00 0.00 C ATOM 1061 CD1 LEU A 67 3.913 -0.609 3.772 1.00 0.00 C ATOM 1062 CD2 LEU A 67 2.640 1.003 2.414 1.00 0.00 C ATOM 0 H LEU A 67 2.158 -2.509 5.391 1.00 0.00 H new ATOM 0 HA LEU A 67 0.986 0.150 6.012 1.00 0.00 H new ATOM 0 HB2 LEU A 67 1.336 -1.377 3.412 1.00 0.00 H new ATOM 0 HB3 LEU A 67 0.514 0.162 3.584 1.00 0.00 H new ATOM 0 HG LEU A 67 2.747 0.974 4.612 1.00 0.00 H new ATOM 0 HD11 LEU A 67 4.802 0.001 3.611 1.00 0.00 H new ATOM 0 HD12 LEU A 67 3.991 -1.117 4.733 1.00 0.00 H new ATOM 0 HD13 LEU A 67 3.831 -1.349 2.976 1.00 0.00 H new ATOM 0 HD21 LEU A 67 3.585 1.524 2.260 1.00 0.00 H new ATOM 0 HD22 LEU A 67 2.496 0.270 1.620 1.00 0.00 H new ATOM 0 HD23 LEU A 67 1.821 1.723 2.397 1.00 0.00 H new ATOM 1074 N HIS A 68 -1.437 -0.631 5.578 1.00 0.00 N ATOM 1075 CA HIS A 68 -2.838 -1.031 5.688 1.00 0.00 C ATOM 1076 C HIS A 68 -3.588 -0.623 4.417 1.00 0.00 C ATOM 1077 O HIS A 68 -3.152 0.273 3.690 1.00 0.00 O ATOM 1078 CB HIS A 68 -3.487 -0.383 6.918 1.00 0.00 C ATOM 1079 CG HIS A 68 -3.136 -1.010 8.244 1.00 0.00 C ATOM 1080 ND1 HIS A 68 -2.198 -0.543 9.133 1.00 0.00 N ATOM 1081 CD2 HIS A 68 -3.780 -2.063 8.840 1.00 0.00 C ATOM 1082 CE1 HIS A 68 -2.243 -1.317 10.229 1.00 0.00 C ATOM 1083 NE2 HIS A 68 -3.222 -2.235 10.116 1.00 0.00 N ATOM 0 H HIS A 68 -1.333 0.377 5.458 1.00 0.00 H new ATOM 0 HA HIS A 68 -2.890 -2.114 5.805 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -3.201 0.669 6.946 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -4.570 -0.416 6.796 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -4.573 -2.653 8.406 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -1.587 -1.218 11.081 1.00 0.00 H new ATOM 0 HE2 HIS A 68 -3.502 -2.919 10.818 1.00 0.00 H new ATOM 1091 N LEU A 69 -4.745 -1.242 4.190 1.00 0.00 N ATOM 1092 CA LEU A 69 -5.648 -1.020 3.064 1.00 0.00 C ATOM 1093 C LEU A 69 -7.020 -0.633 3.626 1.00 0.00 C ATOM 1094 O LEU A 69 -7.552 -1.354 4.479 1.00 0.00 O ATOM 1095 CB LEU A 69 -5.663 -2.298 2.208 1.00 0.00 C ATOM 1096 CG LEU A 69 -4.425 -2.408 1.296 1.00 0.00 C ATOM 1097 CD1 LEU A 69 -4.315 -3.824 0.727 1.00 0.00 C ATOM 1098 CD2 LEU A 69 -4.458 -1.411 0.129 1.00 0.00 C ATOM 0 H LEU A 69 -5.098 -1.956 4.827 1.00 0.00 H new ATOM 0 HA LEU A 69 -5.328 -0.205 2.415 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -5.708 -3.169 2.861 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -6.565 -2.312 1.596 1.00 0.00 H new ATOM 0 HG LEU A 69 -3.560 -2.173 1.917 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -3.437 -3.891 0.084 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -4.221 -4.538 1.545 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -5.208 -4.053 0.146 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -3.562 -1.533 -0.480 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -5.341 -1.596 -0.483 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -4.495 -0.394 0.520 1.00 0.00 H new ATOM 1110 N VAL A 70 -7.581 0.510 3.209 1.00 0.00 N ATOM 1111 CA VAL A 70 -8.876 1.002 3.696 1.00 0.00 C ATOM 1112 C VAL A 70 -9.757 1.650 2.618 1.00 0.00 C ATOM 1113 O VAL A 70 -9.315 1.954 1.503 1.00 0.00 O ATOM 1114 CB VAL A 70 -8.629 2.026 4.837 1.00 0.00 C ATOM 1115 CG1 VAL A 70 -7.651 1.522 5.907 1.00 0.00 C ATOM 1116 CG2 VAL A 70 -8.118 3.385 4.326 1.00 0.00 C ATOM 0 H VAL A 70 -7.146 1.123 2.520 1.00 0.00 H new ATOM 0 HA VAL A 70 -9.424 0.127 4.046 1.00 0.00 H new ATOM 0 HB VAL A 70 -9.614 2.154 5.286 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -7.524 2.287 6.673 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -8.046 0.614 6.362 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -6.687 1.307 5.446 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -7.965 4.057 5.170 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -7.175 3.244 3.798 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -8.852 3.818 3.647 1.00 0.00 H new ATOM 1126 N LEU A 71 -11.037 1.844 2.954 1.00 0.00 N ATOM 1127 CA LEU A 71 -12.041 2.495 2.118 1.00 0.00 C ATOM 1128 C LEU A 71 -12.966 3.333 3.011 1.00 0.00 C ATOM 1129 O LEU A 71 -12.724 3.465 4.211 1.00 0.00 O ATOM 1130 CB LEU A 71 -12.804 1.460 1.266 1.00 0.00 C ATOM 1131 CG LEU A 71 -13.789 0.524 2.003 1.00 0.00 C ATOM 1132 CD1 LEU A 71 -14.721 -0.116 0.977 1.00 0.00 C ATOM 1133 CD2 LEU A 71 -13.084 -0.592 2.780 1.00 0.00 C ATOM 0 H LEU A 71 -11.413 1.538 3.852 1.00 0.00 H new ATOM 0 HA LEU A 71 -11.559 3.167 1.409 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -13.360 1.999 0.499 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -12.070 0.840 0.751 1.00 0.00 H new ATOM 0 HG LEU A 71 -14.336 1.133 2.723 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -15.421 -0.779 1.485 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -15.274 0.663 0.452 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -14.134 -0.689 0.260 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -13.828 -1.216 3.276 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -12.500 -1.202 2.091 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -12.422 -0.153 3.527 1.00 0.00 H new ATOM 1145 N ARG A 72 -14.046 3.882 2.451 1.00 0.00 N ATOM 1146 CA ARG A 72 -15.059 4.671 3.147 1.00 0.00 C ATOM 1147 C ARG A 72 -16.264 4.608 2.230 1.00 0.00 C ATOM 1148 O ARG A 72 -16.124 4.942 1.053 1.00 0.00 O ATOM 1149 CB ARG A 72 -14.556 6.112 3.335 1.00 0.00 C ATOM 1150 CG ARG A 72 -15.543 7.200 3.800 1.00 0.00 C ATOM 1151 CD ARG A 72 -15.846 7.293 5.304 1.00 0.00 C ATOM 1152 NE ARG A 72 -16.699 6.208 5.810 1.00 0.00 N ATOM 1153 CZ ARG A 72 -16.319 5.089 6.432 1.00 0.00 C ATOM 1154 NH1 ARG A 72 -15.040 4.860 6.729 1.00 0.00 N ATOM 1155 NH2 ARG A 72 -17.239 4.181 6.708 1.00 0.00 N ATOM 0 H ARG A 72 -14.245 3.783 1.456 1.00 0.00 H new ATOM 0 HA ARG A 72 -15.294 4.301 4.145 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -13.738 6.082 4.055 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -14.133 6.438 2.385 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -15.155 8.166 3.476 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -16.486 7.043 3.277 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -14.905 7.289 5.855 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -16.331 8.248 5.508 1.00 0.00 H new ATOM 0 HE ARG A 72 -17.703 6.324 5.669 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -14.328 5.547 6.481 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -14.773 3.998 7.205 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -18.211 4.344 6.447 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -16.977 3.317 7.182 1.00 0.00 H new ATOM 1169 N LEU A 73 -17.428 4.245 2.750 1.00 0.00 N ATOM 1170 CA LEU A 73 -18.674 4.129 2.003 1.00 0.00 C ATOM 1171 C LEU A 73 -19.775 4.517 2.973 1.00 0.00 C ATOM 1172 O LEU A 73 -19.668 4.199 4.161 1.00 0.00 O ATOM 1173 CB LEU A 73 -18.876 2.686 1.494 1.00 0.00 C ATOM 1174 CG LEU A 73 -17.934 2.260 0.349 1.00 0.00 C ATOM 1175 CD1 LEU A 73 -18.149 0.782 0.006 1.00 0.00 C ATOM 1176 CD2 LEU A 73 -18.114 3.096 -0.925 1.00 0.00 C ATOM 0 H LEU A 73 -17.535 4.015 3.738 1.00 0.00 H new ATOM 0 HA LEU A 73 -18.673 4.771 1.122 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -18.741 2.000 2.330 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -19.906 2.577 1.156 1.00 0.00 H new ATOM 0 HG LEU A 73 -16.920 2.428 0.713 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -17.478 0.495 -0.803 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -17.941 0.171 0.884 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -19.182 0.628 -0.307 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -17.422 2.745 -1.691 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -19.137 2.994 -1.286 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -17.910 4.144 -0.704 1.00 0.00 H new ATOM 1188 N ARG A 74 -20.785 5.248 2.498 1.00 0.00 N ATOM 1189 CA ARG A 74 -21.915 5.698 3.313 1.00 0.00 C ATOM 1190 C ARG A 74 -23.146 4.836 3.048 1.00 0.00 C ATOM 1191 O ARG A 74 -24.078 4.832 3.857 1.00 0.00 O ATOM 1192 CB ARG A 74 -22.206 7.197 3.096 1.00 0.00 C ATOM 1193 CG ARG A 74 -20.973 8.118 3.172 1.00 0.00 C ATOM 1194 CD ARG A 74 -20.384 8.283 4.576 1.00 0.00 C ATOM 1195 NE ARG A 74 -21.260 9.040 5.486 1.00 0.00 N ATOM 1196 CZ ARG A 74 -22.125 8.538 6.373 1.00 0.00 C ATOM 1197 NH1 ARG A 74 -22.101 7.242 6.668 1.00 0.00 N ATOM 1198 NH2 ARG A 74 -22.998 9.329 6.978 1.00 0.00 N ATOM 0 H ARG A 74 -20.842 5.548 1.525 1.00 0.00 H new ATOM 0 HA ARG A 74 -21.646 5.578 4.362 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -22.675 7.323 2.120 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -22.930 7.523 3.842 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -20.200 7.723 2.513 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -21.247 9.101 2.790 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -20.193 7.298 5.001 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -19.422 8.790 4.502 1.00 0.00 H new ATOM 0 HE ARG A 74 -21.200 10.057 5.434 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -21.422 6.629 6.217 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -22.762 6.861 7.345 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -23.013 10.327 6.768 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -23.656 8.940 7.654 1.00 0.00 H new ATOM 1212 N GLY A 75 -23.155 4.059 1.964 1.00 0.00 N ATOM 1213 CA GLY A 75 -24.229 3.160 1.577 1.00 0.00 C ATOM 1214 C GLY A 75 -24.079 1.802 2.267 1.00 0.00 C ATOM 1215 O GLY A 75 -24.584 0.804 1.759 1.00 0.00 O ATOM 0 H GLY A 75 -22.376 4.043 1.306 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -25.191 3.601 1.839 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -24.224 3.025 0.495 1.00 0.00 H new ATOM 1219 N GLY A 76 -23.318 1.710 3.358 1.00 0.00 N ATOM 1220 CA GLY A 76 -23.075 0.498 4.117 1.00 0.00 C ATOM 1221 C GLY A 76 -21.935 0.832 5.042 1.00 0.00 C ATOM 1222 O GLY A 76 -22.200 1.564 6.020 1.00 0.00 O ATOM 0 H GLY A 76 -22.835 2.519 3.749 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -23.962 0.200 4.677 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -22.818 -0.333 3.460 1.00 0.00 H new TER 1226 GLY A 76