USER MOD reduce.3.24.130724 H: found=0, std=0, add=519, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 519 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 2 ASN : amide:sc= 0 X(o=1.1,f=0.83) USER MOD Set 1.2: A 25 LYS NZ :NH3+ -132:sc= 1.09 (180deg=-0.704) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 162:sc= 1.24 (180deg=1.01) USER MOD Single : A 6 THR OG1 : rot -130:sc= 0.313 USER MOD Single : A 7 SER OG : rot 73:sc= 1.36 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot 77:sc= 0.386 USER MOD Single : A 12 LYS NZ :NH3+ 159:sc= 1.3 (180deg=1.05) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 ASN : amide:sc= -0.0114 K(o=-0.011,f=-1) USER MOD Single : A 22 SER OG : rot 180:sc= 0.00219 USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 GLN :FLIP amide:sc= -0.291 F(o=-1.4!,f=-0.29) USER MOD Single : A 34 GLN :FLIP amide:sc= 0 F(o=-0.59,f=0) USER MOD Single : A 37 GLN : amide:sc= 0.458 K(o=0.46,f=-0.99) USER MOD Single : A 41 THR OG1 : rot 180:sc= -1.29 USER MOD Single : A 47 GLN : amide:sc= -0.0583 K(o=-0.058,f=-0.59) USER MOD Single : A 54 GLN : amide:sc= 0 K(o=0,f=-0.65) USER MOD Single : A 57 HIS : no HE2:sc= 0.644 K(o=0.64,f=-5.9!) USER MOD Single : A 58 HIS : no HD1:sc= -0.0729 X(o=-0.073,f=-0.054) USER MOD Single : A 59 HIS : no HD1:sc= -0.138 K(o=-0.14,f=-0.75) USER MOD Single : A 60 HIS : no HE2:sc= 1.18 K(o=1.2,f=-4!) USER MOD Single : A 61 HIS : no HD1:sc= -0.452 X(o=-0.45,f=0.0053) USER MOD Single : A 62 HIS : no HD1:sc= -0.0734 X(o=-0.073,f=-0.0072) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -10.519 11.894 -3.827 1.00 0.00 N ATOM 2 CA MET A 1 -10.030 10.499 -3.843 1.00 0.00 C ATOM 3 C MET A 1 -8.531 10.475 -4.077 1.00 0.00 C ATOM 4 O MET A 1 -7.920 11.533 -4.226 1.00 0.00 O ATOM 5 CB MET A 1 -10.758 9.682 -4.916 1.00 0.00 C ATOM 6 CG MET A 1 -12.189 9.328 -4.535 1.00 0.00 C ATOM 7 SD MET A 1 -13.225 10.781 -4.258 1.00 0.00 S ATOM 8 CE MET A 1 -14.669 10.032 -3.509 1.00 0.00 C ATOM 0 H1 MET A 1 -11.549 11.903 -3.973 1.00 0.00 H new ATOM 0 H2 MET A 1 -10.296 12.330 -2.909 1.00 0.00 H new ATOM 0 H3 MET A 1 -10.057 12.432 -4.587 1.00 0.00 H new ATOM 0 HA MET A 1 -10.239 10.046 -2.874 1.00 0.00 H new ATOM 0 HB2 MET A 1 -10.767 10.246 -5.849 1.00 0.00 H new ATOM 0 HB3 MET A 1 -10.201 8.764 -5.104 1.00 0.00 H new ATOM 0 HG2 MET A 1 -12.630 8.720 -5.325 1.00 0.00 H new ATOM 0 HG3 MET A 1 -12.178 8.718 -3.631 1.00 0.00 H new ATOM 0 HE1 MET A 1 -15.402 10.805 -3.280 1.00 0.00 H new ATOM 0 HE2 MET A 1 -15.106 9.312 -4.201 1.00 0.00 H new ATOM 0 HE3 MET A 1 -14.379 9.523 -2.590 1.00 0.00 H new ATOM 20 N ASN A 2 -7.954 9.273 -4.113 1.00 0.00 N ATOM 21 CA ASN A 2 -6.505 9.089 -4.201 1.00 0.00 C ATOM 22 C ASN A 2 -5.857 9.586 -2.918 1.00 0.00 C ATOM 23 O ASN A 2 -5.669 10.790 -2.718 1.00 0.00 O ATOM 24 CB ASN A 2 -5.913 9.799 -5.429 1.00 0.00 C ATOM 25 CG ASN A 2 -4.415 9.582 -5.576 1.00 0.00 C ATOM 26 OD1 ASN A 2 -3.607 10.376 -5.092 1.00 0.00 O ATOM 27 ND2 ASN A 2 -4.034 8.512 -6.259 1.00 0.00 N ATOM 0 H ASN A 2 -8.479 8.399 -4.082 1.00 0.00 H new ATOM 0 HA ASN A 2 -6.297 8.026 -4.323 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -6.416 9.440 -6.327 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -6.114 10.868 -5.356 1.00 0.00 H new ATOM 0 HD21 ASN A 2 -3.041 8.323 -6.399 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -4.733 7.877 -6.645 1.00 0.00 H new ATOM 34 N LEU A 3 -5.552 8.650 -2.035 1.00 0.00 N ATOM 35 CA LEU A 3 -5.067 8.978 -0.705 1.00 0.00 C ATOM 36 C LEU A 3 -3.643 9.512 -0.744 1.00 0.00 C ATOM 37 O LEU A 3 -2.975 9.455 -1.775 1.00 0.00 O ATOM 38 CB LEU A 3 -5.152 7.752 0.200 1.00 0.00 C ATOM 39 CG LEU A 3 -6.573 7.234 0.441 1.00 0.00 C ATOM 40 CD1 LEU A 3 -6.550 6.002 1.322 1.00 0.00 C ATOM 41 CD2 LEU A 3 -7.438 8.312 1.072 1.00 0.00 C ATOM 0 H LEU A 3 -5.633 7.650 -2.217 1.00 0.00 H new ATOM 0 HA LEU A 3 -5.702 9.766 -0.301 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -4.557 6.951 -0.239 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -4.700 7.995 1.162 1.00 0.00 H new ATOM 0 HG LEU A 3 -7.002 6.965 -0.524 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -7.569 5.650 1.481 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -5.967 5.219 0.837 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -6.098 6.250 2.282 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -8.443 7.923 1.235 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -7.006 8.612 2.027 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -7.486 9.175 0.408 1.00 0.00 H new ATOM 53 N ARG A 4 -3.193 10.041 0.380 1.00 0.00 N ATOM 54 CA ARG A 4 -1.865 10.627 0.471 1.00 0.00 C ATOM 55 C ARG A 4 -0.824 9.555 0.759 1.00 0.00 C ATOM 56 O ARG A 4 -0.947 8.799 1.726 1.00 0.00 O ATOM 57 CB ARG A 4 -1.831 11.691 1.565 1.00 0.00 C ATOM 58 CG ARG A 4 -0.477 12.358 1.716 1.00 0.00 C ATOM 59 CD ARG A 4 -0.482 13.346 2.862 1.00 0.00 C ATOM 60 NE ARG A 4 0.834 13.932 3.082 1.00 0.00 N ATOM 61 CZ ARG A 4 1.104 14.798 4.046 1.00 0.00 C ATOM 62 NH1 ARG A 4 0.146 15.185 4.878 1.00 0.00 N ATOM 63 NH2 ARG A 4 2.333 15.273 4.174 1.00 0.00 N ATOM 0 H ARG A 4 -3.730 10.077 1.247 1.00 0.00 H new ATOM 0 HA ARG A 4 -1.630 11.093 -0.486 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -2.580 12.452 1.345 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -2.110 11.234 2.514 1.00 0.00 H new ATOM 0 HG2 ARG A 4 0.288 11.601 1.888 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -0.215 12.871 0.790 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -1.202 14.138 2.655 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -0.813 12.845 3.772 1.00 0.00 H new ATOM 0 HE ARG A 4 1.592 13.659 2.456 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -0.799 14.815 4.775 1.00 0.00 H new ATOM 0 HH12 ARG A 4 0.354 15.852 5.621 1.00 0.00 H new ATOM 0 HH21 ARG A 4 3.066 14.971 3.532 1.00 0.00 H new ATOM 0 HH22 ARG A 4 2.547 15.941 4.915 1.00 0.00 H new ATOM 77 N TRP A 5 0.191 9.494 -0.081 1.00 0.00 N ATOM 78 CA TRP A 5 1.253 8.518 0.078 1.00 0.00 C ATOM 79 C TRP A 5 2.502 9.177 0.645 1.00 0.00 C ATOM 80 O TRP A 5 2.961 10.196 0.125 1.00 0.00 O ATOM 81 CB TRP A 5 1.572 7.850 -1.264 1.00 0.00 C ATOM 82 CG TRP A 5 0.443 7.018 -1.801 1.00 0.00 C ATOM 83 CD1 TRP A 5 -0.740 7.467 -2.314 1.00 0.00 C ATOM 84 CD2 TRP A 5 0.400 5.592 -1.883 1.00 0.00 C ATOM 85 NE1 TRP A 5 -1.524 6.404 -2.696 1.00 0.00 N ATOM 86 CE2 TRP A 5 -0.844 5.242 -2.445 1.00 0.00 C ATOM 87 CE3 TRP A 5 1.292 4.576 -1.532 1.00 0.00 C ATOM 88 CZ2 TRP A 5 -1.215 3.921 -2.661 1.00 0.00 C ATOM 89 CZ3 TRP A 5 0.922 3.265 -1.748 1.00 0.00 C ATOM 90 CH2 TRP A 5 -0.322 2.948 -2.308 1.00 0.00 C ATOM 0 H TRP A 5 0.303 10.112 -0.885 1.00 0.00 H new ATOM 0 HA TRP A 5 0.914 7.754 0.777 1.00 0.00 H new ATOM 0 HB2 TRP A 5 1.825 8.620 -1.993 1.00 0.00 H new ATOM 0 HB3 TRP A 5 2.454 7.220 -1.147 1.00 0.00 H new ATOM 0 HD1 TRP A 5 -1.019 8.506 -2.406 1.00 0.00 H new ATOM 0 HE1 TRP A 5 -2.458 6.470 -3.100 1.00 0.00 H new ATOM 0 HE3 TRP A 5 2.253 4.813 -1.100 1.00 0.00 H new ATOM 0 HZ2 TRP A 5 -2.173 3.672 -3.092 1.00 0.00 H new ATOM 0 HZ3 TRP A 5 1.603 2.470 -1.481 1.00 0.00 H new ATOM 0 HH2 TRP A 5 -0.582 1.911 -2.464 1.00 0.00 H new ATOM 101 N THR A 6 3.039 8.605 1.714 1.00 0.00 N ATOM 102 CA THR A 6 4.240 9.135 2.337 1.00 0.00 C ATOM 103 C THR A 6 5.463 8.846 1.474 1.00 0.00 C ATOM 104 O THR A 6 5.392 8.053 0.532 1.00 0.00 O ATOM 105 CB THR A 6 4.463 8.543 3.747 1.00 0.00 C ATOM 106 OG1 THR A 6 4.606 7.118 3.677 1.00 0.00 O ATOM 107 CG2 THR A 6 3.309 8.889 4.673 1.00 0.00 C ATOM 0 H THR A 6 2.660 7.773 2.167 1.00 0.00 H new ATOM 0 HA THR A 6 4.102 10.212 2.432 1.00 0.00 H new ATOM 0 HB THR A 6 5.378 8.979 4.147 1.00 0.00 H new ATOM 0 HG1 THR A 6 4.010 6.697 4.331 1.00 0.00 H new ATOM 0 HG21 THR A 6 3.492 8.460 5.658 1.00 0.00 H new ATOM 0 HG22 THR A 6 3.224 9.972 4.759 1.00 0.00 H new ATOM 0 HG23 THR A 6 2.382 8.483 4.267 1.00 0.00 H new ATOM 115 N SER A 7 6.577 9.484 1.800 1.00 0.00 N ATOM 116 CA SER A 7 7.826 9.254 1.092 1.00 0.00 C ATOM 117 C SER A 7 8.221 7.780 1.161 1.00 0.00 C ATOM 118 O SER A 7 8.712 7.209 0.185 1.00 0.00 O ATOM 119 CB SER A 7 8.920 10.141 1.691 1.00 0.00 C ATOM 120 OG SER A 7 8.689 10.365 3.076 1.00 0.00 O ATOM 0 H SER A 7 6.641 10.168 2.554 1.00 0.00 H new ATOM 0 HA SER A 7 7.696 9.513 0.041 1.00 0.00 H new ATOM 0 HB2 SER A 7 9.893 9.670 1.552 1.00 0.00 H new ATOM 0 HB3 SER A 7 8.950 11.095 1.164 1.00 0.00 H new ATOM 0 HG SER A 7 8.885 9.546 3.577 1.00 0.00 H new ATOM 126 N GLU A 8 7.969 7.163 2.310 1.00 0.00 N ATOM 127 CA GLU A 8 8.287 5.757 2.508 1.00 0.00 C ATOM 128 C GLU A 8 7.317 4.890 1.722 1.00 0.00 C ATOM 129 O GLU A 8 7.708 3.897 1.111 1.00 0.00 O ATOM 130 CB GLU A 8 8.220 5.374 3.991 1.00 0.00 C ATOM 131 CG GLU A 8 9.122 6.194 4.902 1.00 0.00 C ATOM 132 CD GLU A 8 8.647 7.621 5.066 1.00 0.00 C ATOM 133 OE1 GLU A 8 7.472 7.814 5.434 1.00 0.00 O ATOM 134 OE2 GLU A 8 9.434 8.550 4.793 1.00 0.00 O ATOM 0 H GLU A 8 7.545 7.617 3.119 1.00 0.00 H new ATOM 0 HA GLU A 8 9.304 5.592 2.153 1.00 0.00 H new ATOM 0 HB2 GLU A 8 7.190 5.478 4.333 1.00 0.00 H new ATOM 0 HB3 GLU A 8 8.485 4.321 4.093 1.00 0.00 H new ATOM 0 HG2 GLU A 8 9.172 5.718 5.881 1.00 0.00 H new ATOM 0 HG3 GLU A 8 10.134 6.197 4.497 1.00 0.00 H new ATOM 141 N ALA A 9 6.046 5.281 1.738 1.00 0.00 N ATOM 142 CA ALA A 9 5.005 4.537 1.043 1.00 0.00 C ATOM 143 C ALA A 9 5.230 4.562 -0.463 1.00 0.00 C ATOM 144 O ALA A 9 5.034 3.555 -1.141 1.00 0.00 O ATOM 145 CB ALA A 9 3.633 5.092 1.385 1.00 0.00 C ATOM 0 H ALA A 9 5.713 6.112 2.227 1.00 0.00 H new ATOM 0 HA ALA A 9 5.052 3.500 1.376 1.00 0.00 H new ATOM 0 HB1 ALA A 9 2.868 4.523 0.856 1.00 0.00 H new ATOM 0 HB2 ALA A 9 3.466 5.013 2.459 1.00 0.00 H new ATOM 0 HB3 ALA A 9 3.579 6.139 1.085 1.00 0.00 H new ATOM 151 N LYS A 10 5.650 5.712 -0.976 1.00 0.00 N ATOM 152 CA LYS A 10 5.944 5.855 -2.396 1.00 0.00 C ATOM 153 C LYS A 10 7.071 4.911 -2.803 1.00 0.00 C ATOM 154 O LYS A 10 6.977 4.224 -3.821 1.00 0.00 O ATOM 155 CB LYS A 10 6.309 7.306 -2.732 1.00 0.00 C ATOM 156 CG LYS A 10 5.144 8.271 -2.575 1.00 0.00 C ATOM 157 CD LYS A 10 5.571 9.722 -2.749 1.00 0.00 C ATOM 158 CE LYS A 10 6.064 10.012 -4.160 1.00 0.00 C ATOM 159 NZ LYS A 10 6.356 11.459 -4.354 1.00 0.00 N ATOM 0 H LYS A 10 5.795 6.560 -0.429 1.00 0.00 H new ATOM 0 HA LYS A 10 5.049 5.590 -2.960 1.00 0.00 H new ATOM 0 HB2 LYS A 10 7.127 7.626 -2.087 1.00 0.00 H new ATOM 0 HB3 LYS A 10 6.675 7.353 -3.758 1.00 0.00 H new ATOM 0 HG2 LYS A 10 4.374 8.030 -3.308 1.00 0.00 H new ATOM 0 HG3 LYS A 10 4.697 8.141 -1.589 1.00 0.00 H new ATOM 0 HD2 LYS A 10 4.730 10.376 -2.518 1.00 0.00 H new ATOM 0 HD3 LYS A 10 6.361 9.954 -2.035 1.00 0.00 H new ATOM 0 HE2 LYS A 10 6.964 9.429 -4.358 1.00 0.00 H new ATOM 0 HE3 LYS A 10 5.312 9.692 -4.881 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 6.689 11.619 -5.326 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 5.491 12.013 -4.189 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 7.092 11.758 -3.682 1.00 0.00 H new ATOM 173 N THR A 11 8.125 4.866 -1.996 1.00 0.00 N ATOM 174 CA THR A 11 9.232 3.952 -2.242 1.00 0.00 C ATOM 175 C THR A 11 8.769 2.498 -2.130 1.00 0.00 C ATOM 176 O THR A 11 9.073 1.671 -2.991 1.00 0.00 O ATOM 177 CB THR A 11 10.386 4.210 -1.255 1.00 0.00 C ATOM 178 OG1 THR A 11 10.785 5.585 -1.331 1.00 0.00 O ATOM 179 CG2 THR A 11 11.580 3.318 -1.561 1.00 0.00 C ATOM 0 H THR A 11 8.235 5.451 -1.168 1.00 0.00 H new ATOM 0 HA THR A 11 9.592 4.130 -3.255 1.00 0.00 H new ATOM 0 HB THR A 11 10.033 3.979 -0.250 1.00 0.00 H new ATOM 0 HG1 THR A 11 10.136 6.141 -0.852 1.00 0.00 H new ATOM 0 HG21 THR A 11 12.379 3.522 -0.848 1.00 0.00 H new ATOM 0 HG22 THR A 11 11.283 2.272 -1.483 1.00 0.00 H new ATOM 0 HG23 THR A 11 11.935 3.519 -2.572 1.00 0.00 H new ATOM 187 N LYS A 12 8.015 2.204 -1.073 1.00 0.00 N ATOM 188 CA LYS A 12 7.482 0.863 -0.842 1.00 0.00 C ATOM 189 C LYS A 12 6.632 0.389 -2.020 1.00 0.00 C ATOM 190 O LYS A 12 6.772 -0.745 -2.472 1.00 0.00 O ATOM 191 CB LYS A 12 6.648 0.837 0.442 1.00 0.00 C ATOM 192 CG LYS A 12 7.460 0.667 1.715 1.00 0.00 C ATOM 193 CD LYS A 12 8.029 -0.737 1.819 1.00 0.00 C ATOM 194 CE LYS A 12 8.766 -0.951 3.130 1.00 0.00 C ATOM 195 NZ LYS A 12 9.291 -2.336 3.249 1.00 0.00 N ATOM 0 H LYS A 12 7.758 2.883 -0.357 1.00 0.00 H new ATOM 0 HA LYS A 12 8.328 0.184 -0.738 1.00 0.00 H new ATOM 0 HB2 LYS A 12 6.079 1.764 0.510 1.00 0.00 H new ATOM 0 HB3 LYS A 12 5.926 0.024 0.375 1.00 0.00 H new ATOM 0 HG2 LYS A 12 8.272 1.394 1.731 1.00 0.00 H new ATOM 0 HG3 LYS A 12 6.831 0.873 2.581 1.00 0.00 H new ATOM 0 HD2 LYS A 12 7.221 -1.464 1.733 1.00 0.00 H new ATOM 0 HD3 LYS A 12 8.709 -0.916 0.986 1.00 0.00 H new ATOM 0 HE2 LYS A 12 9.591 -0.242 3.203 1.00 0.00 H new ATOM 0 HE3 LYS A 12 8.094 -0.744 3.963 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 10.063 -2.356 3.946 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 8.528 -2.971 3.559 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 9.650 -2.652 2.326 1.00 0.00 H new ATOM 209 N LEU A 13 5.763 1.264 -2.513 1.00 0.00 N ATOM 210 CA LEU A 13 4.864 0.927 -3.612 1.00 0.00 C ATOM 211 C LEU A 13 5.651 0.622 -4.884 1.00 0.00 C ATOM 212 O LEU A 13 5.275 -0.248 -5.670 1.00 0.00 O ATOM 213 CB LEU A 13 3.880 2.073 -3.861 1.00 0.00 C ATOM 214 CG LEU A 13 2.794 1.797 -4.907 1.00 0.00 C ATOM 215 CD1 LEU A 13 1.885 0.666 -4.450 1.00 0.00 C ATOM 216 CD2 LEU A 13 1.987 3.057 -5.184 1.00 0.00 C ATOM 0 H LEU A 13 5.661 2.218 -2.167 1.00 0.00 H new ATOM 0 HA LEU A 13 4.304 0.034 -3.334 1.00 0.00 H new ATOM 0 HB2 LEU A 13 3.395 2.324 -2.917 1.00 0.00 H new ATOM 0 HB3 LEU A 13 4.445 2.952 -4.173 1.00 0.00 H new ATOM 0 HG LEU A 13 3.279 1.491 -5.834 1.00 0.00 H new ATOM 0 HD11 LEU A 13 1.121 0.485 -5.206 1.00 0.00 H new ATOM 0 HD12 LEU A 13 2.475 -0.239 -4.306 1.00 0.00 H new ATOM 0 HD13 LEU A 13 1.407 0.941 -3.510 1.00 0.00 H new ATOM 0 HD21 LEU A 13 1.221 2.842 -5.929 1.00 0.00 H new ATOM 0 HD22 LEU A 13 1.513 3.395 -4.263 1.00 0.00 H new ATOM 0 HD23 LEU A 13 2.649 3.838 -5.559 1.00 0.00 H new ATOM 228 N LYS A 14 6.754 1.330 -5.071 1.00 0.00 N ATOM 229 CA LYS A 14 7.594 1.138 -6.245 1.00 0.00 C ATOM 230 C LYS A 14 8.423 -0.137 -6.127 1.00 0.00 C ATOM 231 O LYS A 14 8.872 -0.689 -7.133 1.00 0.00 O ATOM 232 CB LYS A 14 8.510 2.343 -6.439 1.00 0.00 C ATOM 233 CG LYS A 14 7.758 3.621 -6.759 1.00 0.00 C ATOM 234 CD LYS A 14 8.689 4.816 -6.804 1.00 0.00 C ATOM 235 CE LYS A 14 7.928 6.093 -7.098 1.00 0.00 C ATOM 236 NZ LYS A 14 8.827 7.273 -7.122 1.00 0.00 N ATOM 0 H LYS A 14 7.089 2.044 -4.424 1.00 0.00 H new ATOM 0 HA LYS A 14 6.943 1.040 -7.114 1.00 0.00 H new ATOM 0 HB2 LYS A 14 9.099 2.493 -5.534 1.00 0.00 H new ATOM 0 HB3 LYS A 14 9.212 2.131 -7.245 1.00 0.00 H new ATOM 0 HG2 LYS A 14 7.252 3.516 -7.719 1.00 0.00 H new ATOM 0 HG3 LYS A 14 6.986 3.788 -6.008 1.00 0.00 H new ATOM 0 HD2 LYS A 14 9.209 4.911 -5.851 1.00 0.00 H new ATOM 0 HD3 LYS A 14 9.450 4.659 -7.568 1.00 0.00 H new ATOM 0 HE2 LYS A 14 7.421 6.002 -8.059 1.00 0.00 H new ATOM 0 HE3 LYS A 14 7.156 6.239 -6.343 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 8.272 8.128 -7.326 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 9.292 7.374 -6.197 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 9.549 7.145 -7.860 1.00 0.00 H new ATOM 250 N ASN A 15 8.617 -0.602 -4.900 1.00 0.00 N ATOM 251 CA ASN A 15 9.355 -1.839 -4.660 1.00 0.00 C ATOM 252 C ASN A 15 8.456 -3.050 -4.875 1.00 0.00 C ATOM 253 O ASN A 15 8.914 -4.191 -4.851 1.00 0.00 O ATOM 254 CB ASN A 15 9.944 -1.873 -3.243 1.00 0.00 C ATOM 255 CG ASN A 15 11.067 -0.873 -3.043 1.00 0.00 C ATOM 256 OD1 ASN A 15 11.760 -0.498 -3.990 1.00 0.00 O ATOM 257 ND2 ASN A 15 11.271 -0.449 -1.804 1.00 0.00 N ATOM 0 H ASN A 15 8.275 -0.144 -4.055 1.00 0.00 H new ATOM 0 HA ASN A 15 10.178 -1.874 -5.374 1.00 0.00 H new ATOM 0 HB2 ASN A 15 9.152 -1.671 -2.522 1.00 0.00 H new ATOM 0 HB3 ASN A 15 10.317 -2.876 -3.034 1.00 0.00 H new ATOM 0 HD21 ASN A 15 12.024 0.211 -1.608 1.00 0.00 H new ATOM 0 HD22 ASN A 15 10.675 -0.783 -1.046 1.00 0.00 H new ATOM 264 N ILE A 16 7.175 -2.794 -5.085 1.00 0.00 N ATOM 265 CA ILE A 16 6.232 -3.856 -5.381 1.00 0.00 C ATOM 266 C ILE A 16 6.135 -4.055 -6.890 1.00 0.00 C ATOM 267 O ILE A 16 5.966 -3.087 -7.633 1.00 0.00 O ATOM 268 CB ILE A 16 4.837 -3.556 -4.786 1.00 0.00 C ATOM 269 CG1 ILE A 16 4.963 -3.396 -3.267 1.00 0.00 C ATOM 270 CG2 ILE A 16 3.837 -4.651 -5.147 1.00 0.00 C ATOM 271 CD1 ILE A 16 3.645 -3.406 -2.519 1.00 0.00 C ATOM 0 H ILE A 16 6.766 -1.860 -5.056 1.00 0.00 H new ATOM 0 HA ILE A 16 6.596 -4.774 -4.919 1.00 0.00 H new ATOM 0 HB ILE A 16 4.458 -2.627 -5.212 1.00 0.00 H new ATOM 0 HG12 ILE A 16 5.590 -4.199 -2.881 1.00 0.00 H new ATOM 0 HG13 ILE A 16 5.479 -2.459 -3.055 1.00 0.00 H new ATOM 0 HG21 ILE A 16 2.865 -4.413 -4.715 1.00 0.00 H new ATOM 0 HG22 ILE A 16 3.746 -4.717 -6.231 1.00 0.00 H new ATOM 0 HG23 ILE A 16 4.185 -5.606 -4.753 1.00 0.00 H new ATOM 0 HD11 ILE A 16 3.831 -3.287 -1.452 1.00 0.00 H new ATOM 0 HD12 ILE A 16 3.020 -2.585 -2.872 1.00 0.00 H new ATOM 0 HD13 ILE A 16 3.134 -4.353 -2.695 1.00 0.00 H new ATOM 283 N PRO A 17 6.293 -5.313 -7.355 1.00 0.00 N ATOM 284 CA PRO A 17 6.227 -5.669 -8.777 1.00 0.00 C ATOM 285 C PRO A 17 5.116 -4.937 -9.524 1.00 0.00 C ATOM 286 O PRO A 17 3.984 -4.869 -9.050 1.00 0.00 O ATOM 287 CB PRO A 17 5.952 -7.168 -8.734 1.00 0.00 C ATOM 288 CG PRO A 17 6.631 -7.637 -7.496 1.00 0.00 C ATOM 289 CD PRO A 17 6.562 -6.497 -6.512 1.00 0.00 C ATOM 0 HA PRO A 17 7.136 -5.394 -9.312 1.00 0.00 H new ATOM 0 HB2 PRO A 17 4.882 -7.374 -8.702 1.00 0.00 H new ATOM 0 HB3 PRO A 17 6.347 -7.669 -9.617 1.00 0.00 H new ATOM 0 HG2 PRO A 17 6.140 -8.524 -7.097 1.00 0.00 H new ATOM 0 HG3 PRO A 17 7.666 -7.910 -7.701 1.00 0.00 H new ATOM 0 HD2 PRO A 17 5.772 -6.651 -5.777 1.00 0.00 H new ATOM 0 HD3 PRO A 17 7.495 -6.390 -5.959 1.00 0.00 H new ATOM 297 N PHE A 18 5.457 -4.422 -10.703 1.00 0.00 N ATOM 298 CA PHE A 18 4.561 -3.578 -11.494 1.00 0.00 C ATOM 299 C PHE A 18 3.178 -4.206 -11.657 1.00 0.00 C ATOM 300 O PHE A 18 2.159 -3.548 -11.441 1.00 0.00 O ATOM 301 CB PHE A 18 5.185 -3.313 -12.869 1.00 0.00 C ATOM 302 CG PHE A 18 4.371 -2.414 -13.758 1.00 0.00 C ATOM 303 CD1 PHE A 18 4.457 -1.039 -13.634 1.00 0.00 C ATOM 304 CD2 PHE A 18 3.522 -2.945 -14.716 1.00 0.00 C ATOM 305 CE1 PHE A 18 3.715 -0.207 -14.450 1.00 0.00 C ATOM 306 CE2 PHE A 18 2.776 -2.120 -15.535 1.00 0.00 C ATOM 307 CZ PHE A 18 2.872 -0.748 -15.400 1.00 0.00 C ATOM 0 H PHE A 18 6.366 -4.578 -11.139 1.00 0.00 H new ATOM 0 HA PHE A 18 4.429 -2.637 -10.960 1.00 0.00 H new ATOM 0 HB2 PHE A 18 6.170 -2.869 -12.728 1.00 0.00 H new ATOM 0 HB3 PHE A 18 5.335 -4.266 -13.376 1.00 0.00 H new ATOM 0 HD1 PHE A 18 5.112 -0.611 -12.890 1.00 0.00 H new ATOM 0 HD2 PHE A 18 3.443 -4.017 -14.824 1.00 0.00 H new ATOM 0 HE1 PHE A 18 3.794 0.865 -14.345 1.00 0.00 H new ATOM 0 HE2 PHE A 18 2.119 -2.546 -16.279 1.00 0.00 H new ATOM 0 HZ PHE A 18 2.288 -0.100 -16.037 1.00 0.00 H new ATOM 317 N PHE A 19 3.151 -5.487 -12.003 1.00 0.00 N ATOM 318 CA PHE A 19 1.897 -6.186 -12.270 1.00 0.00 C ATOM 319 C PHE A 19 1.042 -6.325 -11.008 1.00 0.00 C ATOM 320 O PHE A 19 -0.166 -6.541 -11.092 1.00 0.00 O ATOM 321 CB PHE A 19 2.165 -7.565 -12.890 1.00 0.00 C ATOM 322 CG PHE A 19 3.000 -8.493 -12.044 1.00 0.00 C ATOM 323 CD1 PHE A 19 4.383 -8.481 -12.135 1.00 0.00 C ATOM 324 CD2 PHE A 19 2.398 -9.388 -11.172 1.00 0.00 C ATOM 325 CE1 PHE A 19 5.150 -9.341 -11.371 1.00 0.00 C ATOM 326 CE2 PHE A 19 3.159 -10.249 -10.404 1.00 0.00 C ATOM 327 CZ PHE A 19 4.538 -10.226 -10.502 1.00 0.00 C ATOM 0 H PHE A 19 3.985 -6.066 -12.106 1.00 0.00 H new ATOM 0 HA PHE A 19 1.336 -5.583 -12.984 1.00 0.00 H new ATOM 0 HB2 PHE A 19 1.209 -8.046 -13.095 1.00 0.00 H new ATOM 0 HB3 PHE A 19 2.664 -7.425 -13.849 1.00 0.00 H new ATOM 0 HD1 PHE A 19 4.867 -7.792 -12.811 1.00 0.00 H new ATOM 0 HD2 PHE A 19 1.321 -9.412 -11.092 1.00 0.00 H new ATOM 0 HE1 PHE A 19 6.227 -9.322 -11.453 1.00 0.00 H new ATOM 0 HE2 PHE A 19 2.677 -10.939 -9.728 1.00 0.00 H new ATOM 0 HZ PHE A 19 5.135 -10.897 -9.902 1.00 0.00 H new ATOM 337 N ALA A 20 1.663 -6.180 -9.845 1.00 0.00 N ATOM 338 CA ALA A 20 0.956 -6.337 -8.577 1.00 0.00 C ATOM 339 C ALA A 20 0.826 -5.005 -7.853 1.00 0.00 C ATOM 340 O ALA A 20 0.199 -4.923 -6.802 1.00 0.00 O ATOM 341 CB ALA A 20 1.678 -7.346 -7.695 1.00 0.00 C ATOM 0 H ALA A 20 2.653 -5.954 -9.751 1.00 0.00 H new ATOM 0 HA ALA A 20 -0.047 -6.705 -8.792 1.00 0.00 H new ATOM 0 HB1 ALA A 20 1.142 -7.455 -6.752 1.00 0.00 H new ATOM 0 HB2 ALA A 20 1.719 -8.310 -8.203 1.00 0.00 H new ATOM 0 HB3 ALA A 20 2.692 -6.997 -7.498 1.00 0.00 H new ATOM 347 N ARG A 21 1.409 -3.962 -8.428 1.00 0.00 N ATOM 348 CA ARG A 21 1.413 -2.644 -7.802 1.00 0.00 C ATOM 349 C ARG A 21 0.032 -2.000 -7.864 1.00 0.00 C ATOM 350 O ARG A 21 -0.426 -1.411 -6.884 1.00 0.00 O ATOM 351 CB ARG A 21 2.467 -1.745 -8.462 1.00 0.00 C ATOM 352 CG ARG A 21 2.448 -0.305 -7.973 1.00 0.00 C ATOM 353 CD ARG A 21 3.655 0.470 -8.476 1.00 0.00 C ATOM 354 NE ARG A 21 3.481 1.917 -8.328 1.00 0.00 N ATOM 355 CZ ARG A 21 4.386 2.820 -8.702 1.00 0.00 C ATOM 356 NH1 ARG A 21 5.520 2.439 -9.272 1.00 0.00 N ATOM 357 NH2 ARG A 21 4.149 4.113 -8.528 1.00 0.00 N ATOM 0 H ARG A 21 1.886 -4.002 -9.328 1.00 0.00 H new ATOM 0 HA ARG A 21 1.672 -2.767 -6.750 1.00 0.00 H new ATOM 0 HB2 ARG A 21 3.455 -2.167 -8.279 1.00 0.00 H new ATOM 0 HB3 ARG A 21 2.312 -1.753 -9.541 1.00 0.00 H new ATOM 0 HG2 ARG A 21 1.534 0.183 -8.311 1.00 0.00 H new ATOM 0 HG3 ARG A 21 2.433 -0.290 -6.883 1.00 0.00 H new ATOM 0 HD2 ARG A 21 4.542 0.154 -7.928 1.00 0.00 H new ATOM 0 HD3 ARG A 21 3.827 0.231 -9.526 1.00 0.00 H new ATOM 0 HE ARG A 21 2.613 2.254 -7.913 1.00 0.00 H new ATOM 0 HH11 ARG A 21 5.705 1.448 -9.427 1.00 0.00 H new ATOM 0 HH12 ARG A 21 6.208 3.137 -9.556 1.00 0.00 H new ATOM 0 HH21 ARG A 21 3.272 4.419 -8.107 1.00 0.00 H new ATOM 0 HH22 ARG A 21 4.844 4.802 -8.815 1.00 0.00 H new ATOM 371 N SER A 22 -0.637 -2.125 -9.003 1.00 0.00 N ATOM 372 CA SER A 22 -1.986 -1.591 -9.151 1.00 0.00 C ATOM 373 C SER A 22 -2.931 -2.276 -8.166 1.00 0.00 C ATOM 374 O SER A 22 -3.734 -1.625 -7.489 1.00 0.00 O ATOM 375 CB SER A 22 -2.467 -1.807 -10.582 1.00 0.00 C ATOM 376 OG SER A 22 -1.442 -1.485 -11.508 1.00 0.00 O ATOM 0 H SER A 22 -0.271 -2.589 -9.834 1.00 0.00 H new ATOM 0 HA SER A 22 -1.976 -0.522 -8.937 1.00 0.00 H new ATOM 0 HB2 SER A 22 -2.772 -2.845 -10.716 1.00 0.00 H new ATOM 0 HB3 SER A 22 -3.344 -1.189 -10.773 1.00 0.00 H new ATOM 0 HG SER A 22 -1.768 -1.631 -12.421 1.00 0.00 H new ATOM 382 N GLN A 23 -2.800 -3.592 -8.080 1.00 0.00 N ATOM 383 CA GLN A 23 -3.605 -4.396 -7.178 1.00 0.00 C ATOM 384 C GLN A 23 -3.264 -4.075 -5.722 1.00 0.00 C ATOM 385 O GLN A 23 -4.141 -4.046 -4.857 1.00 0.00 O ATOM 386 CB GLN A 23 -3.380 -5.880 -7.483 1.00 0.00 C ATOM 387 CG GLN A 23 -4.194 -6.824 -6.619 1.00 0.00 C ATOM 388 CD GLN A 23 -4.141 -8.253 -7.119 1.00 0.00 C ATOM 389 OE1 GLN A 23 -4.972 -8.670 -7.926 1.00 0.00 O ATOM 390 NE2 GLN A 23 -3.171 -9.014 -6.644 1.00 0.00 N ATOM 0 H GLN A 23 -2.133 -4.130 -8.634 1.00 0.00 H new ATOM 0 HA GLN A 23 -4.659 -4.162 -7.328 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -3.621 -6.065 -8.530 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -2.322 -6.109 -7.355 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -3.823 -6.786 -5.595 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -5.231 -6.488 -6.595 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -2.502 -8.630 -5.976 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -3.091 -9.985 -6.945 1.00 0.00 H new ATOM 399 N ALA A 24 -1.987 -3.814 -5.462 1.00 0.00 N ATOM 400 CA ALA A 24 -1.542 -3.456 -4.124 1.00 0.00 C ATOM 401 C ALA A 24 -2.102 -2.107 -3.714 1.00 0.00 C ATOM 402 O ALA A 24 -2.586 -1.955 -2.603 1.00 0.00 O ATOM 403 CB ALA A 24 -0.023 -3.448 -4.036 1.00 0.00 C ATOM 0 H ALA A 24 -1.244 -3.844 -6.161 1.00 0.00 H new ATOM 0 HA ALA A 24 -1.919 -4.212 -3.435 1.00 0.00 H new ATOM 0 HB1 ALA A 24 0.281 -3.177 -3.025 1.00 0.00 H new ATOM 0 HB2 ALA A 24 0.361 -4.439 -4.277 1.00 0.00 H new ATOM 0 HB3 ALA A 24 0.379 -2.722 -4.743 1.00 0.00 H new ATOM 409 N LYS A 25 -2.050 -1.138 -4.624 1.00 0.00 N ATOM 410 CA LYS A 25 -2.549 0.206 -4.353 1.00 0.00 C ATOM 411 C LYS A 25 -4.016 0.165 -3.928 1.00 0.00 C ATOM 412 O LYS A 25 -4.426 0.882 -3.014 1.00 0.00 O ATOM 413 CB LYS A 25 -2.375 1.092 -5.590 1.00 0.00 C ATOM 414 CG LYS A 25 -2.769 2.543 -5.371 1.00 0.00 C ATOM 415 CD LYS A 25 -2.484 3.382 -6.603 1.00 0.00 C ATOM 416 CE LYS A 25 -2.878 4.834 -6.394 1.00 0.00 C ATOM 417 NZ LYS A 25 -4.334 4.991 -6.140 1.00 0.00 N ATOM 0 H LYS A 25 -1.665 -1.260 -5.561 1.00 0.00 H new ATOM 0 HA LYS A 25 -1.970 0.630 -3.532 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -1.333 1.053 -5.908 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -2.973 0.683 -6.404 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -3.829 2.601 -5.126 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -2.222 2.946 -4.519 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -1.423 3.324 -6.846 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -3.029 2.975 -7.455 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -2.318 5.243 -5.553 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -2.600 5.414 -7.274 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -4.712 5.748 -6.745 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -4.822 4.099 -6.356 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -4.488 5.236 -5.141 1.00 0.00 H new ATOM 431 N ALA A 26 -4.797 -0.690 -4.584 1.00 0.00 N ATOM 432 CA ALA A 26 -6.203 -0.866 -4.235 1.00 0.00 C ATOM 433 C ALA A 26 -6.341 -1.421 -2.819 1.00 0.00 C ATOM 434 O ALA A 26 -7.171 -0.960 -2.035 1.00 0.00 O ATOM 435 CB ALA A 26 -6.887 -1.783 -5.239 1.00 0.00 C ATOM 0 H ALA A 26 -4.479 -1.271 -5.360 1.00 0.00 H new ATOM 0 HA ALA A 26 -6.691 0.108 -4.268 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -7.935 -1.905 -4.965 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -6.820 -1.346 -6.235 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -6.396 -2.756 -5.236 1.00 0.00 H new ATOM 441 N ARG A 27 -5.505 -2.402 -2.497 1.00 0.00 N ATOM 442 CA ARG A 27 -5.478 -2.993 -1.164 1.00 0.00 C ATOM 443 C ARG A 27 -5.043 -1.954 -0.129 1.00 0.00 C ATOM 444 O ARG A 27 -5.679 -1.801 0.907 1.00 0.00 O ATOM 445 CB ARG A 27 -4.523 -4.196 -1.146 1.00 0.00 C ATOM 446 CG ARG A 27 -4.355 -4.851 0.219 1.00 0.00 C ATOM 447 CD ARG A 27 -5.194 -6.114 0.366 1.00 0.00 C ATOM 448 NE ARG A 27 -6.629 -5.843 0.370 1.00 0.00 N ATOM 449 CZ ARG A 27 -7.468 -6.285 1.312 1.00 0.00 C ATOM 450 NH1 ARG A 27 -7.015 -7.025 2.324 1.00 0.00 N ATOM 451 NH2 ARG A 27 -8.760 -5.995 1.234 1.00 0.00 N ATOM 0 H ARG A 27 -4.832 -2.807 -3.147 1.00 0.00 H new ATOM 0 HA ARG A 27 -6.481 -3.334 -0.909 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -4.888 -4.943 -1.851 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -3.545 -3.872 -1.502 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -3.304 -5.096 0.374 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -4.635 -4.140 0.997 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -4.960 -6.797 -0.451 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -4.922 -6.620 1.292 1.00 0.00 H new ATOM 0 HE ARG A 27 -7.014 -5.283 -0.391 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -6.023 -7.257 2.382 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -7.660 -7.359 3.040 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -9.111 -5.436 0.456 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -9.402 -6.331 1.952 1.00 0.00 H new ATOM 465 N ILE A 28 -3.970 -1.231 -0.437 1.00 0.00 N ATOM 466 CA ILE A 28 -3.390 -0.250 0.483 1.00 0.00 C ATOM 467 C ILE A 28 -4.377 0.860 0.830 1.00 0.00 C ATOM 468 O ILE A 28 -4.600 1.149 2.005 1.00 0.00 O ATOM 469 CB ILE A 28 -2.107 0.376 -0.103 1.00 0.00 C ATOM 470 CG1 ILE A 28 -1.058 -0.709 -0.343 1.00 0.00 C ATOM 471 CG2 ILE A 28 -1.555 1.448 0.826 1.00 0.00 C ATOM 472 CD1 ILE A 28 0.134 -0.239 -1.143 1.00 0.00 C ATOM 0 H ILE A 28 -3.478 -1.306 -1.327 1.00 0.00 H new ATOM 0 HA ILE A 28 -3.142 -0.792 1.396 1.00 0.00 H new ATOM 0 HB ILE A 28 -2.356 0.846 -1.055 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -0.712 -1.086 0.619 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -1.526 -1.545 -0.863 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -0.651 1.875 0.392 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -2.299 2.233 0.959 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -1.319 1.005 1.793 1.00 0.00 H new ATOM 0 HD11 ILE A 28 0.834 -1.064 -1.272 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -0.199 0.110 -2.120 1.00 0.00 H new ATOM 0 HD13 ILE A 28 0.628 0.577 -0.615 1.00 0.00 H new ATOM 484 N GLU A 29 -4.976 1.476 -0.183 1.00 0.00 N ATOM 485 CA GLU A 29 -5.929 2.557 0.054 1.00 0.00 C ATOM 486 C GLU A 29 -7.167 2.033 0.775 1.00 0.00 C ATOM 487 O GLU A 29 -7.802 2.757 1.542 1.00 0.00 O ATOM 488 CB GLU A 29 -6.308 3.256 -1.256 1.00 0.00 C ATOM 489 CG GLU A 29 -5.165 4.066 -1.855 1.00 0.00 C ATOM 490 CD GLU A 29 -5.600 4.948 -3.011 1.00 0.00 C ATOM 491 OE1 GLU A 29 -6.815 5.013 -3.299 1.00 0.00 O ATOM 492 OE2 GLU A 29 -4.724 5.587 -3.633 1.00 0.00 O ATOM 0 H GLU A 29 -4.822 1.250 -1.166 1.00 0.00 H new ATOM 0 HA GLU A 29 -5.450 3.297 0.696 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -6.633 2.508 -1.979 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -7.157 3.915 -1.076 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -4.723 4.689 -1.077 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -4.387 3.385 -2.199 1.00 0.00 H new ATOM 499 N GLN A 30 -7.494 0.766 0.549 1.00 0.00 N ATOM 500 CA GLN A 30 -8.594 0.126 1.259 1.00 0.00 C ATOM 501 C GLN A 30 -8.222 -0.067 2.731 1.00 0.00 C ATOM 502 O GLN A 30 -9.040 0.153 3.623 1.00 0.00 O ATOM 503 CB GLN A 30 -8.936 -1.217 0.611 1.00 0.00 C ATOM 504 CG GLN A 30 -10.162 -1.895 1.203 1.00 0.00 C ATOM 505 CD GLN A 30 -10.517 -3.177 0.478 1.00 0.00 C ATOM 506 OE1 GLN A 30 -10.208 -3.235 -0.810 1.00 0.00 O flip ATOM 507 NE2 GLN A 30 -11.060 -4.110 1.064 1.00 0.00 N flip ATOM 0 H GLN A 30 -7.014 0.163 -0.119 1.00 0.00 H new ATOM 0 HA GLN A 30 -9.473 0.767 1.201 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -9.098 -1.063 -0.456 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -8.080 -1.885 0.710 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -9.981 -2.114 2.255 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -11.009 -1.210 1.161 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -11.283 -4.029 2.056 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -11.288 -4.966 0.559 1.00 0.00 H new ATOM 516 N LEU A 31 -6.975 -0.459 2.973 1.00 0.00 N ATOM 517 CA LEU A 31 -6.461 -0.610 4.331 1.00 0.00 C ATOM 518 C LEU A 31 -6.435 0.738 5.042 1.00 0.00 C ATOM 519 O LEU A 31 -6.745 0.835 6.229 1.00 0.00 O ATOM 520 CB LEU A 31 -5.052 -1.212 4.304 1.00 0.00 C ATOM 521 CG LEU A 31 -4.947 -2.607 3.681 1.00 0.00 C ATOM 522 CD1 LEU A 31 -3.491 -3.033 3.565 1.00 0.00 C ATOM 523 CD2 LEU A 31 -5.742 -3.617 4.498 1.00 0.00 C ATOM 0 H LEU A 31 -6.298 -0.679 2.242 1.00 0.00 H new ATOM 0 HA LEU A 31 -7.123 -1.283 4.876 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -4.397 -0.536 3.754 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -4.676 -1.259 5.326 1.00 0.00 H new ATOM 0 HG LEU A 31 -5.371 -2.570 2.678 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.437 -4.027 3.120 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -2.953 -2.324 2.935 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -3.038 -3.054 4.556 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -5.656 -4.603 4.041 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -5.349 -3.653 5.514 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -6.790 -3.319 4.524 1.00 0.00 H new ATOM 535 N ALA A 32 -6.071 1.781 4.305 1.00 0.00 N ATOM 536 CA ALA A 32 -6.050 3.129 4.853 1.00 0.00 C ATOM 537 C ALA A 32 -7.458 3.600 5.183 1.00 0.00 C ATOM 538 O ALA A 32 -7.672 4.305 6.170 1.00 0.00 O ATOM 539 CB ALA A 32 -5.379 4.088 3.889 1.00 0.00 C ATOM 0 H ALA A 32 -5.787 1.718 3.327 1.00 0.00 H new ATOM 0 HA ALA A 32 -5.472 3.111 5.777 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -5.374 5.090 4.317 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -4.354 3.765 3.709 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -5.927 4.099 2.947 1.00 0.00 H new ATOM 545 N ARG A 33 -8.420 3.213 4.351 1.00 0.00 N ATOM 546 CA ARG A 33 -9.819 3.480 4.627 1.00 0.00 C ATOM 547 C ARG A 33 -10.295 2.698 5.845 1.00 0.00 C ATOM 548 O ARG A 33 -11.173 3.156 6.573 1.00 0.00 O ATOM 549 CB ARG A 33 -10.672 3.145 3.409 1.00 0.00 C ATOM 550 CG ARG A 33 -10.618 4.212 2.334 1.00 0.00 C ATOM 551 CD ARG A 33 -11.142 5.543 2.857 1.00 0.00 C ATOM 552 NE ARG A 33 -12.369 5.374 3.642 1.00 0.00 N ATOM 553 CZ ARG A 33 -12.713 6.146 4.678 1.00 0.00 C ATOM 554 NH1 ARG A 33 -11.982 7.207 5.002 1.00 0.00 N ATOM 555 NH2 ARG A 33 -13.802 5.866 5.385 1.00 0.00 N ATOM 0 H ARG A 33 -8.251 2.712 3.479 1.00 0.00 H new ATOM 0 HA ARG A 33 -9.926 4.542 4.847 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -10.338 2.197 2.988 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -11.706 3.007 3.724 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -9.591 4.332 1.988 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -11.210 3.897 1.474 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -10.378 6.017 3.473 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -11.336 6.212 2.019 1.00 0.00 H new ATOM 0 HE ARG A 33 -13.002 4.618 3.380 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -11.150 7.439 4.459 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -12.252 7.790 5.794 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -14.377 5.061 5.138 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -14.063 6.456 6.175 1.00 0.00 H new ATOM 569 N GLN A 34 -9.715 1.522 6.063 1.00 0.00 N ATOM 570 CA GLN A 34 -10.002 0.743 7.261 1.00 0.00 C ATOM 571 C GLN A 34 -9.513 1.493 8.493 1.00 0.00 C ATOM 572 O GLN A 34 -10.192 1.538 9.520 1.00 0.00 O ATOM 573 CB GLN A 34 -9.330 -0.628 7.195 1.00 0.00 C ATOM 574 CG GLN A 34 -9.684 -1.527 8.367 1.00 0.00 C ATOM 575 CD GLN A 34 -8.784 -2.740 8.478 1.00 0.00 C ATOM 576 OE1 GLN A 34 -8.257 -3.202 7.357 1.00 0.00 O flip ATOM 577 NE2 GLN A 34 -8.566 -3.261 9.569 1.00 0.00 N flip ATOM 0 H GLN A 34 -9.045 1.089 5.427 1.00 0.00 H new ATOM 0 HA GLN A 34 -11.080 0.597 7.324 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -9.618 -1.122 6.267 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -8.249 -0.494 7.162 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -9.623 -0.951 9.290 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -10.718 -1.857 8.265 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -8.991 -2.875 10.412 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -7.960 -4.079 9.632 1.00 0.00 H new ATOM 586 N ALA A 35 -8.334 2.090 8.372 1.00 0.00 N ATOM 587 CA ALA A 35 -7.770 2.905 9.439 1.00 0.00 C ATOM 588 C ALA A 35 -8.489 4.250 9.522 1.00 0.00 C ATOM 589 O ALA A 35 -8.309 5.004 10.481 1.00 0.00 O ATOM 590 CB ALA A 35 -6.283 3.113 9.209 1.00 0.00 C ATOM 0 H ALA A 35 -7.747 2.024 7.540 1.00 0.00 H new ATOM 0 HA ALA A 35 -7.908 2.383 10.386 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -5.872 3.724 10.013 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -5.779 2.147 9.193 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -6.129 3.618 8.255 1.00 0.00 H new ATOM 596 N GLU A 36 -9.288 4.532 8.494 1.00 0.00 N ATOM 597 CA GLU A 36 -10.119 5.731 8.427 1.00 0.00 C ATOM 598 C GLU A 36 -9.262 6.992 8.401 1.00 0.00 C ATOM 599 O GLU A 36 -9.610 8.015 8.994 1.00 0.00 O ATOM 600 CB GLU A 36 -11.108 5.761 9.594 1.00 0.00 C ATOM 601 CG GLU A 36 -12.085 4.597 9.578 1.00 0.00 C ATOM 602 CD GLU A 36 -13.057 4.641 10.733 1.00 0.00 C ATOM 603 OE1 GLU A 36 -14.061 5.376 10.643 1.00 0.00 O ATOM 604 OE2 GLU A 36 -12.824 3.942 11.739 1.00 0.00 O ATOM 0 H GLU A 36 -9.377 3.928 7.677 1.00 0.00 H new ATOM 0 HA GLU A 36 -10.688 5.701 7.498 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -10.554 5.749 10.532 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -11.666 6.697 9.565 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -12.640 4.606 8.640 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -11.529 3.660 9.611 1.00 0.00 H new ATOM 611 N GLN A 37 -8.152 6.916 7.680 1.00 0.00 N ATOM 612 CA GLN A 37 -7.254 8.049 7.536 1.00 0.00 C ATOM 613 C GLN A 37 -6.957 8.293 6.059 1.00 0.00 C ATOM 614 O GLN A 37 -7.258 7.449 5.214 1.00 0.00 O ATOM 615 CB GLN A 37 -5.963 7.811 8.326 1.00 0.00 C ATOM 616 CG GLN A 37 -5.144 6.628 7.836 1.00 0.00 C ATOM 617 CD GLN A 37 -4.039 6.245 8.803 1.00 0.00 C ATOM 618 OE1 GLN A 37 -4.180 6.394 10.018 1.00 0.00 O ATOM 619 NE2 GLN A 37 -2.922 5.773 8.276 1.00 0.00 N ATOM 0 H GLN A 37 -7.852 6.076 7.184 1.00 0.00 H new ATOM 0 HA GLN A 37 -7.735 8.939 7.941 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -5.349 8.710 8.276 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -6.215 7.655 9.375 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -5.802 5.773 7.684 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -4.707 6.869 6.867 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -2.842 5.663 7.265 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -2.141 5.519 8.880 1.00 0.00 H new ATOM 628 N ASP A 38 -6.389 9.450 5.748 1.00 0.00 N ATOM 629 CA ASP A 38 -6.123 9.824 4.359 1.00 0.00 C ATOM 630 C ASP A 38 -4.679 9.555 3.982 1.00 0.00 C ATOM 631 O ASP A 38 -4.316 9.595 2.810 1.00 0.00 O ATOM 632 CB ASP A 38 -6.434 11.304 4.126 1.00 0.00 C ATOM 633 CG ASP A 38 -7.914 11.592 4.006 1.00 0.00 C ATOM 634 OD1 ASP A 38 -8.667 11.305 4.963 1.00 0.00 O ATOM 635 OD2 ASP A 38 -8.338 12.108 2.951 1.00 0.00 O ATOM 0 H ASP A 38 -6.103 10.147 6.435 1.00 0.00 H new ATOM 0 HA ASP A 38 -6.772 9.213 3.731 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -6.023 11.889 4.949 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -5.931 11.635 3.217 1.00 0.00 H new ATOM 640 N ILE A 39 -3.855 9.293 4.976 1.00 0.00 N ATOM 641 CA ILE A 39 -2.436 9.081 4.753 1.00 0.00 C ATOM 642 C ILE A 39 -2.097 7.604 4.875 1.00 0.00 C ATOM 643 O ILE A 39 -2.418 6.970 5.879 1.00 0.00 O ATOM 644 CB ILE A 39 -1.594 9.879 5.768 1.00 0.00 C ATOM 645 CG1 ILE A 39 -2.042 11.343 5.786 1.00 0.00 C ATOM 646 CG2 ILE A 39 -0.113 9.776 5.432 1.00 0.00 C ATOM 647 CD1 ILE A 39 -1.410 12.161 6.890 1.00 0.00 C ATOM 0 H ILE A 39 -4.144 9.221 5.952 1.00 0.00 H new ATOM 0 HA ILE A 39 -2.201 9.428 3.747 1.00 0.00 H new ATOM 0 HB ILE A 39 -1.747 9.455 6.760 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -1.801 11.799 4.826 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -3.126 11.380 5.894 1.00 0.00 H new ATOM 0 HG21 ILE A 39 0.466 10.346 6.159 1.00 0.00 H new ATOM 0 HG22 ILE A 39 0.195 8.731 5.462 1.00 0.00 H new ATOM 0 HG23 ILE A 39 0.062 10.178 4.434 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -1.776 13.186 6.838 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -1.672 11.731 7.857 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -0.326 12.156 6.772 1.00 0.00 H new ATOM 659 N VAL A 40 -1.467 7.051 3.855 1.00 0.00 N ATOM 660 CA VAL A 40 -1.061 5.661 3.901 1.00 0.00 C ATOM 661 C VAL A 40 0.364 5.559 4.426 1.00 0.00 C ATOM 662 O VAL A 40 1.216 6.395 4.116 1.00 0.00 O ATOM 663 CB VAL A 40 -1.163 4.961 2.524 1.00 0.00 C ATOM 664 CG1 VAL A 40 -2.543 5.166 1.915 1.00 0.00 C ATOM 665 CG2 VAL A 40 -0.079 5.445 1.578 1.00 0.00 C ATOM 0 H VAL A 40 -1.227 7.539 2.992 1.00 0.00 H new ATOM 0 HA VAL A 40 -1.749 5.148 4.573 1.00 0.00 H new ATOM 0 HB VAL A 40 -1.014 3.893 2.682 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -2.592 4.666 0.948 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -3.299 4.747 2.579 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -2.727 6.232 1.782 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -0.178 4.935 0.620 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -0.180 6.520 1.429 1.00 0.00 H new ATOM 0 HG23 VAL A 40 0.900 5.228 2.005 1.00 0.00 H new ATOM 675 N THR A 41 0.613 4.554 5.238 1.00 0.00 N ATOM 676 CA THR A 41 1.931 4.340 5.794 1.00 0.00 C ATOM 677 C THR A 41 2.623 3.185 5.073 1.00 0.00 C ATOM 678 O THR A 41 1.956 2.360 4.440 1.00 0.00 O ATOM 679 CB THR A 41 1.840 4.032 7.303 1.00 0.00 C ATOM 680 OG1 THR A 41 0.922 2.951 7.520 1.00 0.00 O ATOM 681 CG2 THR A 41 1.385 5.262 8.081 1.00 0.00 C ATOM 0 H THR A 41 -0.085 3.869 5.529 1.00 0.00 H new ATOM 0 HA THR A 41 2.514 5.251 5.657 1.00 0.00 H new ATOM 0 HB THR A 41 2.830 3.747 7.659 1.00 0.00 H new ATOM 0 HG1 THR A 41 0.867 2.756 8.479 1.00 0.00 H new ATOM 0 HG21 THR A 41 1.328 5.021 9.142 1.00 0.00 H new ATOM 0 HG22 THR A 41 2.099 6.072 7.931 1.00 0.00 H new ATOM 0 HG23 THR A 41 0.402 5.574 7.727 1.00 0.00 H new ATOM 689 N PRO A 42 3.964 3.104 5.149 1.00 0.00 N ATOM 690 CA PRO A 42 4.714 1.988 4.568 1.00 0.00 C ATOM 691 C PRO A 42 4.267 0.658 5.167 1.00 0.00 C ATOM 692 O PRO A 42 4.382 -0.394 4.538 1.00 0.00 O ATOM 693 CB PRO A 42 6.175 2.290 4.934 1.00 0.00 C ATOM 694 CG PRO A 42 6.104 3.297 6.034 1.00 0.00 C ATOM 695 CD PRO A 42 4.851 4.087 5.792 1.00 0.00 C ATOM 0 HA PRO A 42 4.561 1.897 3.493 1.00 0.00 H new ATOM 0 HB2 PRO A 42 6.694 1.388 5.259 1.00 0.00 H new ATOM 0 HB3 PRO A 42 6.723 2.681 4.077 1.00 0.00 H new ATOM 0 HG2 PRO A 42 6.075 2.809 7.008 1.00 0.00 H new ATOM 0 HG3 PRO A 42 6.981 3.944 6.027 1.00 0.00 H new ATOM 0 HD2 PRO A 42 4.427 4.467 6.721 1.00 0.00 H new ATOM 0 HD3 PRO A 42 5.034 4.948 5.149 1.00 0.00 H new ATOM 703 N GLU A 43 3.736 0.733 6.384 1.00 0.00 N ATOM 704 CA GLU A 43 3.178 -0.420 7.075 1.00 0.00 C ATOM 705 C GLU A 43 2.049 -1.044 6.258 1.00 0.00 C ATOM 706 O GLU A 43 2.017 -2.256 6.052 1.00 0.00 O ATOM 707 CB GLU A 43 2.659 0.011 8.450 1.00 0.00 C ATOM 708 CG GLU A 43 1.810 -1.037 9.152 1.00 0.00 C ATOM 709 CD GLU A 43 1.303 -0.564 10.496 1.00 0.00 C ATOM 710 OE1 GLU A 43 0.907 0.613 10.610 1.00 0.00 O ATOM 711 OE2 GLU A 43 1.302 -1.372 11.450 1.00 0.00 O ATOM 0 H GLU A 43 3.682 1.600 6.919 1.00 0.00 H new ATOM 0 HA GLU A 43 3.960 -1.169 7.201 1.00 0.00 H new ATOM 0 HB2 GLU A 43 3.509 0.259 9.085 1.00 0.00 H new ATOM 0 HB3 GLU A 43 2.071 0.921 8.335 1.00 0.00 H new ATOM 0 HG2 GLU A 43 0.962 -1.298 8.518 1.00 0.00 H new ATOM 0 HG3 GLU A 43 2.398 -1.945 9.288 1.00 0.00 H new ATOM 718 N LEU A 44 1.138 -0.203 5.786 1.00 0.00 N ATOM 719 CA LEU A 44 -0.010 -0.666 5.014 1.00 0.00 C ATOM 720 C LEU A 44 0.429 -1.183 3.650 1.00 0.00 C ATOM 721 O LEU A 44 -0.124 -2.155 3.138 1.00 0.00 O ATOM 722 CB LEU A 44 -1.045 0.453 4.859 1.00 0.00 C ATOM 723 CG LEU A 44 -2.075 0.562 5.992 1.00 0.00 C ATOM 724 CD1 LEU A 44 -1.400 0.662 7.349 1.00 0.00 C ATOM 725 CD2 LEU A 44 -2.975 1.762 5.764 1.00 0.00 C ATOM 0 H LEU A 44 1.171 0.807 5.924 1.00 0.00 H new ATOM 0 HA LEU A 44 -0.474 -1.489 5.557 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -0.517 1.403 4.778 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -1.578 0.304 3.920 1.00 0.00 H new ATOM 0 HG LEU A 44 -2.678 -0.346 5.986 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -2.159 0.738 8.128 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -0.792 -0.227 7.519 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -0.764 1.547 7.375 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -3.702 1.830 6.573 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -2.372 2.670 5.740 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -3.498 1.649 4.815 1.00 0.00 H new ATOM 737 N VAL A 45 1.437 -0.539 3.071 1.00 0.00 N ATOM 738 CA VAL A 45 1.994 -0.984 1.799 1.00 0.00 C ATOM 739 C VAL A 45 2.613 -2.368 1.955 1.00 0.00 C ATOM 740 O VAL A 45 2.389 -3.262 1.136 1.00 0.00 O ATOM 741 CB VAL A 45 3.065 -0.007 1.269 1.00 0.00 C ATOM 742 CG1 VAL A 45 3.550 -0.440 -0.106 1.00 0.00 C ATOM 743 CG2 VAL A 45 2.526 1.416 1.228 1.00 0.00 C ATOM 0 H VAL A 45 1.884 0.291 3.461 1.00 0.00 H new ATOM 0 HA VAL A 45 1.176 -1.018 1.080 1.00 0.00 H new ATOM 0 HB VAL A 45 3.914 -0.027 1.953 1.00 0.00 H new ATOM 0 HG11 VAL A 45 4.305 0.261 -0.463 1.00 0.00 H new ATOM 0 HG12 VAL A 45 3.984 -1.438 -0.041 1.00 0.00 H new ATOM 0 HG13 VAL A 45 2.710 -0.454 -0.800 1.00 0.00 H new ATOM 0 HG21 VAL A 45 3.298 2.087 0.851 1.00 0.00 H new ATOM 0 HG22 VAL A 45 1.657 1.457 0.571 1.00 0.00 H new ATOM 0 HG23 VAL A 45 2.236 1.724 2.232 1.00 0.00 H new ATOM 753 N GLU A 46 3.385 -2.532 3.021 1.00 0.00 N ATOM 754 CA GLU A 46 3.998 -3.809 3.343 1.00 0.00 C ATOM 755 C GLU A 46 2.914 -4.846 3.621 1.00 0.00 C ATOM 756 O GLU A 46 2.983 -5.972 3.139 1.00 0.00 O ATOM 757 CB GLU A 46 4.911 -3.655 4.562 1.00 0.00 C ATOM 758 CG GLU A 46 5.818 -4.847 4.814 1.00 0.00 C ATOM 759 CD GLU A 46 6.776 -5.105 3.671 1.00 0.00 C ATOM 760 OE1 GLU A 46 7.313 -4.131 3.102 1.00 0.00 O ATOM 761 OE2 GLU A 46 7.012 -6.286 3.347 1.00 0.00 O ATOM 0 H GLU A 46 3.602 -1.786 3.682 1.00 0.00 H new ATOM 0 HA GLU A 46 4.597 -4.144 2.497 1.00 0.00 H new ATOM 0 HB2 GLU A 46 5.527 -2.765 4.431 1.00 0.00 H new ATOM 0 HB3 GLU A 46 4.294 -3.488 5.445 1.00 0.00 H new ATOM 0 HG2 GLU A 46 6.387 -4.678 5.728 1.00 0.00 H new ATOM 0 HG3 GLU A 46 5.207 -5.735 4.978 1.00 0.00 H new ATOM 768 N GLN A 47 1.905 -4.441 4.386 1.00 0.00 N ATOM 769 CA GLN A 47 0.774 -5.307 4.704 1.00 0.00 C ATOM 770 C GLN A 47 0.127 -5.840 3.428 1.00 0.00 C ATOM 771 O GLN A 47 -0.126 -7.037 3.308 1.00 0.00 O ATOM 772 CB GLN A 47 -0.253 -4.539 5.541 1.00 0.00 C ATOM 773 CG GLN A 47 -1.498 -5.342 5.894 1.00 0.00 C ATOM 774 CD GLN A 47 -1.185 -6.612 6.663 1.00 0.00 C ATOM 775 OE1 GLN A 47 -0.202 -6.682 7.404 1.00 0.00 O ATOM 776 NE2 GLN A 47 -2.014 -7.627 6.493 1.00 0.00 N ATOM 0 H GLN A 47 1.848 -3.511 4.800 1.00 0.00 H new ATOM 0 HA GLN A 47 1.138 -6.157 5.282 1.00 0.00 H new ATOM 0 HB2 GLN A 47 0.223 -4.205 6.463 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -0.554 -3.645 4.995 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -2.169 -4.720 6.487 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -2.029 -5.600 4.978 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -2.817 -7.531 5.871 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -1.851 -8.506 6.983 1.00 0.00 H new ATOM 785 N ALA A 48 -0.117 -4.946 2.475 1.00 0.00 N ATOM 786 CA ALA A 48 -0.682 -5.331 1.188 1.00 0.00 C ATOM 787 C ALA A 48 0.224 -6.323 0.471 1.00 0.00 C ATOM 788 O ALA A 48 -0.244 -7.265 -0.171 1.00 0.00 O ATOM 789 CB ALA A 48 -0.907 -4.104 0.322 1.00 0.00 C ATOM 0 H ALA A 48 0.069 -3.948 2.571 1.00 0.00 H new ATOM 0 HA ALA A 48 -1.642 -5.815 1.370 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -1.329 -4.407 -0.636 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -1.597 -3.426 0.824 1.00 0.00 H new ATOM 0 HB3 ALA A 48 0.043 -3.597 0.155 1.00 0.00 H new ATOM 795 N ARG A 49 1.528 -6.123 0.605 1.00 0.00 N ATOM 796 CA ARG A 49 2.497 -6.996 -0.032 1.00 0.00 C ATOM 797 C ARG A 49 2.463 -8.370 0.630 1.00 0.00 C ATOM 798 O ARG A 49 2.542 -9.401 -0.040 1.00 0.00 O ATOM 799 CB ARG A 49 3.893 -6.382 0.062 1.00 0.00 C ATOM 800 CG ARG A 49 4.981 -7.178 -0.644 1.00 0.00 C ATOM 801 CD ARG A 49 4.963 -6.983 -2.156 1.00 0.00 C ATOM 802 NE ARG A 49 3.729 -7.460 -2.788 1.00 0.00 N ATOM 803 CZ ARG A 49 3.671 -8.528 -3.587 1.00 0.00 C ATOM 804 NH1 ARG A 49 4.728 -9.321 -3.712 1.00 0.00 N ATOM 805 NH2 ARG A 49 2.547 -8.826 -4.225 1.00 0.00 N ATOM 0 H ARG A 49 1.936 -5.363 1.150 1.00 0.00 H new ATOM 0 HA ARG A 49 2.245 -7.112 -1.086 1.00 0.00 H new ATOM 0 HB2 ARG A 49 3.864 -5.377 -0.360 1.00 0.00 H new ATOM 0 HB3 ARG A 49 4.161 -6.278 1.114 1.00 0.00 H new ATOM 0 HG2 ARG A 49 5.955 -6.880 -0.255 1.00 0.00 H new ATOM 0 HG3 ARG A 49 4.857 -8.237 -0.416 1.00 0.00 H new ATOM 0 HD2 ARG A 49 5.092 -5.924 -2.380 1.00 0.00 H new ATOM 0 HD3 ARG A 49 5.813 -7.507 -2.593 1.00 0.00 H new ATOM 0 HE ARG A 49 2.866 -6.947 -2.607 1.00 0.00 H new ATOM 0 HH11 ARG A 49 5.584 -9.114 -3.198 1.00 0.00 H new ATOM 0 HH12 ARG A 49 4.684 -10.137 -4.322 1.00 0.00 H new ATOM 0 HH21 ARG A 49 1.722 -8.238 -4.106 1.00 0.00 H new ATOM 0 HH22 ARG A 49 2.508 -9.643 -4.834 1.00 0.00 H new ATOM 819 N LEU A 50 2.306 -8.367 1.949 1.00 0.00 N ATOM 820 CA LEU A 50 2.194 -9.597 2.721 1.00 0.00 C ATOM 821 C LEU A 50 0.926 -10.346 2.323 1.00 0.00 C ATOM 822 O LEU A 50 0.929 -11.574 2.208 1.00 0.00 O ATOM 823 CB LEU A 50 2.162 -9.278 4.222 1.00 0.00 C ATOM 824 CG LEU A 50 3.031 -10.177 5.107 1.00 0.00 C ATOM 825 CD1 LEU A 50 2.601 -11.634 5.007 1.00 0.00 C ATOM 826 CD2 LEU A 50 4.497 -10.024 4.734 1.00 0.00 C ATOM 0 H LEU A 50 2.253 -7.517 2.510 1.00 0.00 H new ATOM 0 HA LEU A 50 3.060 -10.224 2.512 1.00 0.00 H new ATOM 0 HB2 LEU A 50 2.479 -8.244 4.363 1.00 0.00 H new ATOM 0 HB3 LEU A 50 1.131 -9.345 4.568 1.00 0.00 H new ATOM 0 HG LEU A 50 2.898 -9.863 6.142 1.00 0.00 H new ATOM 0 HD11 LEU A 50 3.237 -12.246 5.647 1.00 0.00 H new ATOM 0 HD12 LEU A 50 1.564 -11.730 5.328 1.00 0.00 H new ATOM 0 HD13 LEU A 50 2.694 -11.971 3.974 1.00 0.00 H new ATOM 0 HD21 LEU A 50 5.104 -10.668 5.371 1.00 0.00 H new ATOM 0 HD22 LEU A 50 4.639 -10.307 3.691 1.00 0.00 H new ATOM 0 HD23 LEU A 50 4.801 -8.987 4.873 1.00 0.00 H new ATOM 838 N GLU A 51 -0.148 -9.591 2.106 1.00 0.00 N ATOM 839 CA GLU A 51 -1.423 -10.151 1.678 1.00 0.00 C ATOM 840 C GLU A 51 -1.255 -11.023 0.446 1.00 0.00 C ATOM 841 O GLU A 51 -1.696 -12.170 0.429 1.00 0.00 O ATOM 842 CB GLU A 51 -2.421 -9.033 1.379 1.00 0.00 C ATOM 843 CG GLU A 51 -2.884 -8.289 2.615 1.00 0.00 C ATOM 844 CD GLU A 51 -3.747 -9.145 3.509 1.00 0.00 C ATOM 845 OE1 GLU A 51 -3.198 -9.947 4.295 1.00 0.00 O ATOM 846 OE2 GLU A 51 -4.987 -9.018 3.436 1.00 0.00 O ATOM 0 H GLU A 51 -0.157 -8.578 2.222 1.00 0.00 H new ATOM 0 HA GLU A 51 -1.803 -10.769 2.492 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -1.964 -8.324 0.688 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -3.289 -9.457 0.874 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -2.015 -7.943 3.175 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -3.443 -7.403 2.315 1.00 0.00 H new ATOM 853 N PHE A 52 -0.609 -10.480 -0.579 1.00 0.00 N ATOM 854 CA PHE A 52 -0.418 -11.212 -1.828 1.00 0.00 C ATOM 855 C PHE A 52 0.657 -12.282 -1.668 1.00 0.00 C ATOM 856 O PHE A 52 0.677 -13.275 -2.396 1.00 0.00 O ATOM 857 CB PHE A 52 -0.050 -10.256 -2.963 1.00 0.00 C ATOM 858 CG PHE A 52 -0.988 -9.089 -3.087 1.00 0.00 C ATOM 859 CD1 PHE A 52 -2.362 -9.281 -3.122 1.00 0.00 C ATOM 860 CD2 PHE A 52 -0.493 -7.800 -3.157 1.00 0.00 C ATOM 861 CE1 PHE A 52 -3.221 -8.204 -3.226 1.00 0.00 C ATOM 862 CE2 PHE A 52 -1.348 -6.721 -3.262 1.00 0.00 C ATOM 863 CZ PHE A 52 -2.713 -6.923 -3.295 1.00 0.00 C ATOM 0 H PHE A 52 -0.210 -9.541 -0.572 1.00 0.00 H new ATOM 0 HA PHE A 52 -1.358 -11.703 -2.079 1.00 0.00 H new ATOM 0 HB2 PHE A 52 0.962 -9.884 -2.801 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -0.041 -10.807 -3.904 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -2.764 -10.282 -3.067 1.00 0.00 H new ATOM 0 HD2 PHE A 52 0.574 -7.635 -3.129 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -4.289 -8.365 -3.253 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -0.949 -5.719 -3.318 1.00 0.00 H new ATOM 0 HZ PHE A 52 -3.383 -6.079 -3.375 1.00 0.00 H new ATOM 873 N GLY A 53 1.541 -12.075 -0.702 1.00 0.00 N ATOM 874 CA GLY A 53 2.573 -13.050 -0.410 1.00 0.00 C ATOM 875 C GLY A 53 1.993 -14.352 0.103 1.00 0.00 C ATOM 876 O GLY A 53 2.285 -15.422 -0.429 1.00 0.00 O ATOM 0 H GLY A 53 1.562 -11.243 -0.112 1.00 0.00 H new ATOM 0 HA2 GLY A 53 3.156 -13.242 -1.311 1.00 0.00 H new ATOM 0 HA3 GLY A 53 3.259 -12.641 0.332 1.00 0.00 H new ATOM 880 N GLN A 54 1.147 -14.262 1.123 1.00 0.00 N ATOM 881 CA GLN A 54 0.521 -15.447 1.704 1.00 0.00 C ATOM 882 C GLN A 54 -0.689 -15.885 0.886 1.00 0.00 C ATOM 883 O GLN A 54 -1.218 -16.980 1.074 1.00 0.00 O ATOM 884 CB GLN A 54 0.118 -15.183 3.156 1.00 0.00 C ATOM 885 CG GLN A 54 -0.792 -13.978 3.344 1.00 0.00 C ATOM 886 CD GLN A 54 -1.164 -13.758 4.798 1.00 0.00 C ATOM 887 OE1 GLN A 54 -1.249 -14.705 5.579 1.00 0.00 O ATOM 888 NE2 GLN A 54 -1.393 -12.509 5.173 1.00 0.00 N ATOM 0 H GLN A 54 0.878 -13.383 1.565 1.00 0.00 H new ATOM 0 HA GLN A 54 1.251 -16.256 1.687 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -0.384 -16.067 3.548 1.00 0.00 H new ATOM 0 HB3 GLN A 54 1.020 -15.039 3.751 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -0.295 -13.087 2.960 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -1.699 -14.116 2.756 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -1.312 -11.750 4.496 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -1.650 -12.305 6.139 1.00 0.00 H new ATOM 897 N LEU A 55 -1.120 -15.016 -0.014 1.00 0.00 N ATOM 898 CA LEU A 55 -2.235 -15.307 -0.910 1.00 0.00 C ATOM 899 C LEU A 55 -1.905 -16.500 -1.806 1.00 0.00 C ATOM 900 O LEU A 55 -2.711 -17.417 -1.957 1.00 0.00 O ATOM 901 CB LEU A 55 -2.555 -14.062 -1.753 1.00 0.00 C ATOM 902 CG LEU A 55 -3.814 -14.120 -2.626 1.00 0.00 C ATOM 903 CD1 LEU A 55 -4.307 -12.711 -2.918 1.00 0.00 C ATOM 904 CD2 LEU A 55 -3.540 -14.848 -3.936 1.00 0.00 C ATOM 0 H LEU A 55 -0.711 -14.091 -0.146 1.00 0.00 H new ATOM 0 HA LEU A 55 -3.112 -15.567 -0.318 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -2.649 -13.211 -1.079 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -1.702 -13.863 -2.401 1.00 0.00 H new ATOM 0 HG LEU A 55 -4.580 -14.670 -2.080 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -5.202 -12.760 -3.539 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -4.543 -12.206 -1.981 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -3.531 -12.156 -3.444 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -4.450 -14.874 -4.535 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -2.758 -14.325 -4.486 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -3.215 -15.867 -3.725 1.00 0.00 H new ATOM 916 N GLU A 56 -0.717 -16.481 -2.393 1.00 0.00 N ATOM 917 CA GLU A 56 -0.310 -17.540 -3.302 1.00 0.00 C ATOM 918 C GLU A 56 1.032 -18.136 -2.894 1.00 0.00 C ATOM 919 O GLU A 56 1.090 -19.201 -2.273 1.00 0.00 O ATOM 920 CB GLU A 56 -0.221 -17.009 -4.734 1.00 0.00 C ATOM 921 CG GLU A 56 0.274 -18.044 -5.734 1.00 0.00 C ATOM 922 CD GLU A 56 0.854 -17.417 -6.980 1.00 0.00 C ATOM 923 OE1 GLU A 56 1.912 -16.759 -6.878 1.00 0.00 O ATOM 924 OE2 GLU A 56 0.254 -17.567 -8.064 1.00 0.00 O ATOM 0 H GLU A 56 -0.022 -15.747 -2.256 1.00 0.00 H new ATOM 0 HA GLU A 56 -1.065 -18.325 -3.253 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -1.205 -16.656 -5.044 1.00 0.00 H new ATOM 0 HB3 GLU A 56 0.447 -16.148 -4.753 1.00 0.00 H new ATOM 0 HG2 GLU A 56 1.031 -18.669 -5.260 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -0.552 -18.699 -6.012 1.00 0.00 H new ATOM 931 N HIS A 57 2.106 -17.431 -3.226 1.00 0.00 N ATOM 932 CA HIS A 57 3.451 -17.965 -3.071 1.00 0.00 C ATOM 933 C HIS A 57 4.015 -17.702 -1.679 1.00 0.00 C ATOM 934 O HIS A 57 4.855 -16.825 -1.481 1.00 0.00 O ATOM 935 CB HIS A 57 4.390 -17.423 -4.163 1.00 0.00 C ATOM 936 CG HIS A 57 4.318 -15.936 -4.371 1.00 0.00 C ATOM 937 ND1 HIS A 57 3.515 -15.349 -5.323 1.00 0.00 N ATOM 938 CD2 HIS A 57 4.964 -14.919 -3.752 1.00 0.00 C ATOM 939 CE1 HIS A 57 3.671 -14.039 -5.282 1.00 0.00 C ATOM 940 NE2 HIS A 57 4.547 -13.749 -4.336 1.00 0.00 N ATOM 0 H HIS A 57 2.070 -16.485 -3.606 1.00 0.00 H new ATOM 0 HA HIS A 57 3.383 -19.047 -3.188 1.00 0.00 H new ATOM 0 HB2 HIS A 57 5.415 -17.691 -3.908 1.00 0.00 H new ATOM 0 HB3 HIS A 57 4.155 -17.920 -5.104 1.00 0.00 H new ATOM 0 HD1 HIS A 57 2.896 -15.849 -5.961 1.00 0.00 H new ATOM 0 HD2 HIS A 57 5.677 -15.012 -2.946 1.00 0.00 H new ATOM 0 HE1 HIS A 57 3.167 -13.324 -5.915 1.00 0.00 H new ATOM 949 N HIS A 58 3.528 -18.467 -0.717 1.00 0.00 N ATOM 950 CA HIS A 58 4.032 -18.405 0.646 1.00 0.00 C ATOM 951 C HIS A 58 4.891 -19.640 0.901 1.00 0.00 C ATOM 952 O HIS A 58 5.303 -19.922 2.024 1.00 0.00 O ATOM 953 CB HIS A 58 2.859 -18.334 1.635 1.00 0.00 C ATOM 954 CG HIS A 58 3.249 -17.992 3.042 1.00 0.00 C ATOM 955 ND1 HIS A 58 2.602 -18.506 4.144 1.00 0.00 N ATOM 956 CD2 HIS A 58 4.202 -17.159 3.525 1.00 0.00 C ATOM 957 CE1 HIS A 58 3.137 -18.007 5.242 1.00 0.00 C ATOM 958 NE2 HIS A 58 4.110 -17.189 4.893 1.00 0.00 N ATOM 0 H HIS A 58 2.778 -19.144 -0.856 1.00 0.00 H new ATOM 0 HA HIS A 58 4.639 -17.511 0.786 1.00 0.00 H new ATOM 0 HB2 HIS A 58 2.145 -17.591 1.279 1.00 0.00 H new ATOM 0 HB3 HIS A 58 2.344 -19.295 1.638 1.00 0.00 H new ATOM 0 HD2 HIS A 58 4.903 -16.580 2.942 1.00 0.00 H new ATOM 0 HE1 HIS A 58 2.830 -18.230 6.253 1.00 0.00 H new ATOM 0 HE2 HIS A 58 4.700 -16.663 5.537 1.00 0.00 H new ATOM 967 N HIS A 59 5.144 -20.364 -0.178 1.00 0.00 N ATOM 968 CA HIS A 59 5.944 -21.580 -0.159 1.00 0.00 C ATOM 969 C HIS A 59 7.228 -21.348 -0.948 1.00 0.00 C ATOM 970 O HIS A 59 7.174 -21.156 -2.165 1.00 0.00 O ATOM 971 CB HIS A 59 5.123 -22.715 -0.791 1.00 0.00 C ATOM 972 CG HIS A 59 5.815 -24.038 -0.878 1.00 0.00 C ATOM 973 ND1 HIS A 59 6.800 -24.318 -1.801 1.00 0.00 N ATOM 974 CD2 HIS A 59 5.636 -25.172 -0.165 1.00 0.00 C ATOM 975 CE1 HIS A 59 7.195 -25.567 -1.650 1.00 0.00 C ATOM 976 NE2 HIS A 59 6.506 -26.104 -0.666 1.00 0.00 N ATOM 0 H HIS A 59 4.795 -20.121 -1.105 1.00 0.00 H new ATOM 0 HA HIS A 59 6.207 -21.850 0.864 1.00 0.00 H new ATOM 0 HB2 HIS A 59 4.206 -22.841 -0.215 1.00 0.00 H new ATOM 0 HB3 HIS A 59 4.829 -22.411 -1.796 1.00 0.00 H new ATOM 0 HD2 HIS A 59 4.938 -25.316 0.647 1.00 0.00 H new ATOM 0 HE1 HIS A 59 7.955 -26.065 -2.235 1.00 0.00 H new ATOM 0 HE2 HIS A 59 6.604 -27.062 -0.330 1.00 0.00 H new ATOM 985 N HIS A 60 8.375 -21.352 -0.269 1.00 0.00 N ATOM 986 CA HIS A 60 9.652 -21.093 -0.937 1.00 0.00 C ATOM 987 C HIS A 60 9.908 -22.120 -2.038 1.00 0.00 C ATOM 988 O HIS A 60 9.943 -23.324 -1.788 1.00 0.00 O ATOM 989 CB HIS A 60 10.838 -21.048 0.057 1.00 0.00 C ATOM 990 CG HIS A 60 11.140 -22.333 0.784 1.00 0.00 C ATOM 991 ND1 HIS A 60 12.093 -23.244 0.364 1.00 0.00 N ATOM 992 CD2 HIS A 60 10.626 -22.839 1.929 1.00 0.00 C ATOM 993 CE1 HIS A 60 12.143 -24.249 1.218 1.00 0.00 C ATOM 994 NE2 HIS A 60 11.267 -24.028 2.172 1.00 0.00 N ATOM 0 H HIS A 60 8.448 -21.530 0.733 1.00 0.00 H new ATOM 0 HA HIS A 60 9.578 -20.105 -1.392 1.00 0.00 H new ATOM 0 HB2 HIS A 60 11.732 -20.743 -0.488 1.00 0.00 H new ATOM 0 HB3 HIS A 60 10.637 -20.274 0.797 1.00 0.00 H new ATOM 0 HD1 HIS A 60 12.667 -23.153 -0.474 1.00 0.00 H new ATOM 0 HD2 HIS A 60 9.855 -22.391 2.538 1.00 0.00 H new ATOM 0 HE1 HIS A 60 12.794 -25.108 1.145 1.00 0.00 H new ATOM 1003 N HIS A 61 10.053 -21.632 -3.268 1.00 0.00 N ATOM 1004 CA HIS A 61 10.315 -22.507 -4.410 1.00 0.00 C ATOM 1005 C HIS A 61 11.814 -22.753 -4.562 1.00 0.00 C ATOM 1006 O HIS A 61 12.249 -23.516 -5.421 1.00 0.00 O ATOM 1007 CB HIS A 61 9.717 -21.931 -5.708 1.00 0.00 C ATOM 1008 CG HIS A 61 10.268 -20.596 -6.124 1.00 0.00 C ATOM 1009 ND1 HIS A 61 11.103 -20.431 -7.205 1.00 0.00 N ATOM 1010 CD2 HIS A 61 10.069 -19.358 -5.612 1.00 0.00 C ATOM 1011 CE1 HIS A 61 11.399 -19.149 -7.337 1.00 0.00 C ATOM 1012 NE2 HIS A 61 10.781 -18.479 -6.384 1.00 0.00 N ATOM 0 H HIS A 61 9.994 -20.640 -3.500 1.00 0.00 H new ATOM 0 HA HIS A 61 9.826 -23.463 -4.220 1.00 0.00 H new ATOM 0 HB2 HIS A 61 9.885 -22.644 -6.515 1.00 0.00 H new ATOM 0 HB3 HIS A 61 8.638 -21.839 -5.583 1.00 0.00 H new ATOM 0 HD2 HIS A 61 9.462 -19.110 -4.754 1.00 0.00 H new ATOM 0 HE1 HIS A 61 12.038 -18.723 -8.096 1.00 0.00 H new ATOM 0 HE2 HIS A 61 10.826 -17.470 -6.244 1.00 0.00 H new ATOM 1021 N HIS A 62 12.590 -22.087 -3.723 1.00 0.00 N ATOM 1022 CA HIS A 62 14.018 -22.336 -3.624 1.00 0.00 C ATOM 1023 C HIS A 62 14.402 -22.424 -2.157 1.00 0.00 C ATOM 1024 O HIS A 62 14.057 -23.433 -1.513 1.00 0.00 O ATOM 1025 CB HIS A 62 14.831 -21.231 -4.310 1.00 0.00 C ATOM 1026 CG HIS A 62 14.953 -21.383 -5.794 1.00 0.00 C ATOM 1027 ND1 HIS A 62 14.840 -20.326 -6.671 1.00 0.00 N ATOM 1028 CD2 HIS A 62 15.207 -22.471 -6.554 1.00 0.00 C ATOM 1029 CE1 HIS A 62 15.024 -20.760 -7.904 1.00 0.00 C ATOM 1030 NE2 HIS A 62 15.249 -22.059 -7.861 1.00 0.00 N ATOM 1031 OXT HIS A 62 15.019 -21.470 -1.647 1.00 0.00 O ATOM 0 H HIS A 62 12.249 -21.361 -3.093 1.00 0.00 H new ATOM 0 HA HIS A 62 14.243 -23.274 -4.131 1.00 0.00 H new ATOM 0 HB2 HIS A 62 14.368 -20.268 -4.093 1.00 0.00 H new ATOM 0 HB3 HIS A 62 15.831 -21.210 -3.876 1.00 0.00 H new ATOM 0 HD2 HIS A 62 15.351 -23.480 -6.197 1.00 0.00 H new ATOM 0 HE1 HIS A 62 14.995 -20.154 -8.797 1.00 0.00 H new ATOM 0 HE2 HIS A 62 15.425 -22.658 -8.667 1.00 0.00 H new TER 1040 HIS A 62