USER MOD reduce.3.24.130724 H: found=0, std=0, add=519, rem=0, adj=9 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 Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -99:sc= 0.0955 (180deg=0) USER MOD Single : A 2 ASN : amide:sc= -0.539! X(o=-0.54!,f=-0.053) USER MOD Single : A 6 THR OG1 : rot -87:sc= 0.672 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot 77:sc= 0.405 USER MOD Single : A 12 LYS NZ :NH3+ -153:sc= 1.3 (180deg=1.16) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 ASN : amide:sc= -1.36 X(o=-1.4,f=-1.1) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc= -0.935 K(o=-0.93,f=-0.031) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 GLN : amide:sc= -0.899 K(o=-0.9,f=-0.00089) USER MOD Single : A 37 GLN : amide:sc= 0.471 K(o=0.47,f=-2!) USER MOD Single : A 41 THR OG1 : rot 140:sc= -0.982 USER MOD Single : A 47 GLN : amide:sc= -1.82! K(o=-1.8!,f=-0.027) USER MOD Single : A 54 GLN : amide:sc= -0.116 X(o=-0.12,f=-0.27) USER MOD Single : A 57 HIS : no HE2:sc= -0.096 K(o=-0.096,f=-0.66) USER MOD Single : A 58 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 59 HIS : no HE2:sc= -0.612 K(o=-0.61,f=-2.5!) USER MOD Single : A 60 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 61 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 62 HIS : no HD1:sc= -0.0425 X(o=-0.043,f=-0.13) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -10.841 8.072 -5.591 1.00 0.00 N ATOM 2 CA MET A 1 -9.615 8.886 -5.741 1.00 0.00 C ATOM 3 C MET A 1 -8.502 8.298 -4.883 1.00 0.00 C ATOM 4 O MET A 1 -8.772 7.584 -3.918 1.00 0.00 O ATOM 5 CB MET A 1 -9.895 10.339 -5.330 1.00 0.00 C ATOM 6 CG MET A 1 -8.725 11.288 -5.561 1.00 0.00 C ATOM 7 SD MET A 1 -9.081 12.986 -5.071 1.00 0.00 S ATOM 8 CE MET A 1 -7.551 13.795 -5.538 1.00 0.00 C ATOM 0 H1 MET A 1 -10.924 7.418 -6.395 1.00 0.00 H new ATOM 0 H2 MET A 1 -10.790 7.528 -4.706 1.00 0.00 H new ATOM 0 H3 MET A 1 -11.672 8.697 -5.566 1.00 0.00 H new ATOM 0 HA MET A 1 -9.301 8.875 -6.785 1.00 0.00 H new ATOM 0 HB2 MET A 1 -10.759 10.703 -5.886 1.00 0.00 H new ATOM 0 HB3 MET A 1 -10.164 10.361 -4.274 1.00 0.00 H new ATOM 0 HG2 MET A 1 -7.859 10.930 -5.004 1.00 0.00 H new ATOM 0 HG3 MET A 1 -8.454 11.270 -6.617 1.00 0.00 H new ATOM 0 HE1 MET A 1 -7.613 14.856 -5.298 1.00 0.00 H new ATOM 0 HE2 MET A 1 -6.721 13.347 -4.992 1.00 0.00 H new ATOM 0 HE3 MET A 1 -7.388 13.674 -6.609 1.00 0.00 H new ATOM 20 N ASN A 2 -7.259 8.580 -5.251 1.00 0.00 N ATOM 21 CA ASN A 2 -6.106 8.119 -4.484 1.00 0.00 C ATOM 22 C ASN A 2 -6.018 8.839 -3.147 1.00 0.00 C ATOM 23 O ASN A 2 -6.554 9.938 -2.977 1.00 0.00 O ATOM 24 CB ASN A 2 -4.808 8.338 -5.267 1.00 0.00 C ATOM 25 CG ASN A 2 -4.643 7.375 -6.426 1.00 0.00 C ATOM 26 OD1 ASN A 2 -4.121 7.744 -7.479 1.00 0.00 O ATOM 27 ND2 ASN A 2 -5.041 6.128 -6.232 1.00 0.00 N ATOM 0 H ASN A 2 -7.022 9.127 -6.078 1.00 0.00 H new ATOM 0 HA ASN A 2 -6.238 7.052 -4.303 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -4.787 9.360 -5.646 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -3.960 8.231 -4.590 1.00 0.00 H new ATOM 0 HD21 ASN A 2 -4.920 5.433 -6.969 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -5.469 5.861 -5.345 1.00 0.00 H new ATOM 34 N LEU A 3 -5.334 8.215 -2.208 1.00 0.00 N ATOM 35 CA LEU A 3 -5.118 8.794 -0.895 1.00 0.00 C ATOM 36 C LEU A 3 -3.750 9.448 -0.840 1.00 0.00 C ATOM 37 O LEU A 3 -3.023 9.457 -1.832 1.00 0.00 O ATOM 38 CB LEU A 3 -5.246 7.729 0.198 1.00 0.00 C ATOM 39 CG LEU A 3 -6.633 7.093 0.323 1.00 0.00 C ATOM 40 CD1 LEU A 3 -6.670 6.129 1.493 1.00 0.00 C ATOM 41 CD2 LEU A 3 -7.706 8.163 0.480 1.00 0.00 C ATOM 0 H LEU A 3 -4.913 7.294 -2.332 1.00 0.00 H new ATOM 0 HA LEU A 3 -5.882 9.551 -0.718 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -4.518 6.941 0.004 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -4.981 8.179 1.155 1.00 0.00 H new ATOM 0 HG LEU A 3 -6.837 6.537 -0.592 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -7.663 5.686 1.568 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -5.932 5.342 1.339 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -6.442 6.666 2.414 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -8.683 7.688 0.567 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -7.506 8.750 1.377 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -7.697 8.818 -0.391 1.00 0.00 H new ATOM 53 N ARG A 4 -3.405 10.011 0.304 1.00 0.00 N ATOM 54 CA ARG A 4 -2.133 10.692 0.452 1.00 0.00 C ATOM 55 C ARG A 4 -1.041 9.713 0.865 1.00 0.00 C ATOM 56 O ARG A 4 -1.123 9.062 1.909 1.00 0.00 O ATOM 57 CB ARG A 4 -2.261 11.838 1.453 1.00 0.00 C ATOM 58 CG ARG A 4 -3.207 12.922 0.970 1.00 0.00 C ATOM 59 CD ARG A 4 -3.298 14.084 1.938 1.00 0.00 C ATOM 60 NE ARG A 4 -4.049 15.194 1.358 1.00 0.00 N ATOM 61 CZ ARG A 4 -3.709 16.472 1.502 1.00 0.00 C ATOM 62 NH1 ARG A 4 -2.721 16.803 2.320 1.00 0.00 N ATOM 63 NH2 ARG A 4 -4.381 17.419 0.858 1.00 0.00 N ATOM 0 H ARG A 4 -3.987 10.010 1.142 1.00 0.00 H new ATOM 0 HA ARG A 4 -1.848 11.114 -0.511 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -2.617 11.447 2.406 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -1.277 12.271 1.633 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -2.871 13.287 -0.001 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -4.200 12.496 0.824 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -3.780 13.757 2.859 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -2.295 14.419 2.204 1.00 0.00 H new ATOM 0 HE ARG A 4 -4.882 14.977 0.811 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -2.223 16.079 2.838 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -2.458 17.782 2.432 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -5.161 17.168 0.250 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -4.117 18.398 0.971 1.00 0.00 H new ATOM 77 N TRP A 5 -0.023 9.614 0.029 1.00 0.00 N ATOM 78 CA TRP A 5 1.052 8.660 0.233 1.00 0.00 C ATOM 79 C TRP A 5 2.286 9.340 0.792 1.00 0.00 C ATOM 80 O TRP A 5 2.731 10.367 0.275 1.00 0.00 O ATOM 81 CB TRP A 5 1.402 7.958 -1.086 1.00 0.00 C ATOM 82 CG TRP A 5 0.344 7.006 -1.557 1.00 0.00 C ATOM 83 CD1 TRP A 5 -0.910 7.317 -1.995 1.00 0.00 C ATOM 84 CD2 TRP A 5 0.458 5.583 -1.646 1.00 0.00 C ATOM 85 NE1 TRP A 5 -1.590 6.174 -2.335 1.00 0.00 N ATOM 86 CE2 TRP A 5 -0.769 5.095 -2.132 1.00 0.00 C ATOM 87 CE3 TRP A 5 1.477 4.673 -1.354 1.00 0.00 C ATOM 88 CZ2 TRP A 5 -1.001 3.740 -2.334 1.00 0.00 C ATOM 89 CZ3 TRP A 5 1.245 3.328 -1.558 1.00 0.00 C ATOM 90 CH2 TRP A 5 0.016 2.873 -2.044 1.00 0.00 C ATOM 0 H TRP A 5 0.082 10.190 -0.807 1.00 0.00 H new ATOM 0 HA TRP A 5 0.707 7.919 0.954 1.00 0.00 H new ATOM 0 HB2 TRP A 5 1.570 8.711 -1.856 1.00 0.00 H new ATOM 0 HB3 TRP A 5 2.339 7.415 -0.962 1.00 0.00 H new ATOM 0 HD1 TRP A 5 -1.310 8.318 -2.064 1.00 0.00 H new ATOM 0 HE1 TRP A 5 -2.548 6.134 -2.682 1.00 0.00 H new ATOM 0 HE3 TRP A 5 2.429 5.016 -0.976 1.00 0.00 H new ATOM 0 HZ2 TRP A 5 -1.950 3.384 -2.707 1.00 0.00 H new ATOM 0 HZ3 TRP A 5 2.026 2.615 -1.338 1.00 0.00 H new ATOM 0 HH2 TRP A 5 -0.134 1.814 -2.194 1.00 0.00 H new ATOM 101 N THR A 6 2.828 8.771 1.854 1.00 0.00 N ATOM 102 CA THR A 6 4.070 9.254 2.426 1.00 0.00 C ATOM 103 C THR A 6 5.225 8.934 1.483 1.00 0.00 C ATOM 104 O THR A 6 5.115 8.031 0.654 1.00 0.00 O ATOM 105 CB THR A 6 4.329 8.617 3.806 1.00 0.00 C ATOM 106 OG1 THR A 6 4.238 7.189 3.710 1.00 0.00 O ATOM 107 CG2 THR A 6 3.329 9.120 4.835 1.00 0.00 C ATOM 0 H THR A 6 2.424 7.970 2.339 1.00 0.00 H new ATOM 0 HA THR A 6 3.992 10.333 2.559 1.00 0.00 H new ATOM 0 HB THR A 6 5.331 8.901 4.127 1.00 0.00 H new ATOM 0 HG1 THR A 6 3.306 6.912 3.830 1.00 0.00 H new ATOM 0 HG21 THR A 6 3.534 8.655 5.799 1.00 0.00 H new ATOM 0 HG22 THR A 6 3.416 10.203 4.928 1.00 0.00 H new ATOM 0 HG23 THR A 6 2.319 8.864 4.516 1.00 0.00 H new ATOM 115 N SER A 7 6.322 9.669 1.595 1.00 0.00 N ATOM 116 CA SER A 7 7.484 9.429 0.748 1.00 0.00 C ATOM 117 C SER A 7 7.991 7.999 0.944 1.00 0.00 C ATOM 118 O SER A 7 8.510 7.370 0.015 1.00 0.00 O ATOM 119 CB SER A 7 8.589 10.442 1.065 1.00 0.00 C ATOM 120 OG SER A 7 9.670 10.329 0.156 1.00 0.00 O ATOM 0 H SER A 7 6.433 10.434 2.261 1.00 0.00 H new ATOM 0 HA SER A 7 7.193 9.553 -0.295 1.00 0.00 H new ATOM 0 HB2 SER A 7 8.181 11.452 1.024 1.00 0.00 H new ATOM 0 HB3 SER A 7 8.949 10.284 2.082 1.00 0.00 H new ATOM 0 HG SER A 7 10.358 10.989 0.383 1.00 0.00 H new ATOM 126 N GLU A 8 7.811 7.488 2.157 1.00 0.00 N ATOM 127 CA GLU A 8 8.190 6.123 2.486 1.00 0.00 C ATOM 128 C GLU A 8 7.257 5.144 1.783 1.00 0.00 C ATOM 129 O GLU A 8 7.700 4.159 1.192 1.00 0.00 O ATOM 130 CB GLU A 8 8.135 5.890 4.003 1.00 0.00 C ATOM 131 CG GLU A 8 9.070 6.778 4.819 1.00 0.00 C ATOM 132 CD GLU A 8 8.692 8.247 4.778 1.00 0.00 C ATOM 133 OE1 GLU A 8 7.538 8.577 5.116 1.00 0.00 O ATOM 134 OE2 GLU A 8 9.549 9.075 4.409 1.00 0.00 O ATOM 0 H GLU A 8 7.401 8.006 2.934 1.00 0.00 H new ATOM 0 HA GLU A 8 9.213 5.960 2.148 1.00 0.00 H new ATOM 0 HB2 GLU A 8 7.113 6.051 4.345 1.00 0.00 H new ATOM 0 HB3 GLU A 8 8.378 4.847 4.206 1.00 0.00 H new ATOM 0 HG2 GLU A 8 9.069 6.439 5.855 1.00 0.00 H new ATOM 0 HG3 GLU A 8 10.088 6.661 4.446 1.00 0.00 H new ATOM 141 N ALA A 9 5.961 5.438 1.839 1.00 0.00 N ATOM 142 CA ALA A 9 4.951 4.596 1.208 1.00 0.00 C ATOM 143 C ALA A 9 5.143 4.548 -0.302 1.00 0.00 C ATOM 144 O ALA A 9 4.990 3.494 -0.915 1.00 0.00 O ATOM 145 CB ALA A 9 3.557 5.096 1.543 1.00 0.00 C ATOM 0 H ALA A 9 5.585 6.257 2.317 1.00 0.00 H new ATOM 0 HA ALA A 9 5.066 3.585 1.599 1.00 0.00 H new ATOM 0 HB1 ALA A 9 2.816 4.456 1.064 1.00 0.00 H new ATOM 0 HB2 ALA A 9 3.412 5.073 2.623 1.00 0.00 H new ATOM 0 HB3 ALA A 9 3.441 6.118 1.183 1.00 0.00 H new ATOM 151 N LYS A 10 5.476 5.694 -0.893 1.00 0.00 N ATOM 152 CA LYS A 10 5.745 5.769 -2.327 1.00 0.00 C ATOM 153 C LYS A 10 6.845 4.780 -2.713 1.00 0.00 C ATOM 154 O LYS A 10 6.678 3.967 -3.629 1.00 0.00 O ATOM 155 CB LYS A 10 6.172 7.187 -2.722 1.00 0.00 C ATOM 156 CG LYS A 10 5.129 8.264 -2.456 1.00 0.00 C ATOM 157 CD LYS A 10 5.714 9.649 -2.691 1.00 0.00 C ATOM 158 CE LYS A 10 4.734 10.762 -2.348 1.00 0.00 C ATOM 159 NZ LYS A 10 3.608 10.853 -3.314 1.00 0.00 N ATOM 0 H LYS A 10 5.566 6.583 -0.401 1.00 0.00 H new ATOM 0 HA LYS A 10 4.828 5.513 -2.858 1.00 0.00 H new ATOM 0 HB2 LYS A 10 7.083 7.441 -2.180 1.00 0.00 H new ATOM 0 HB3 LYS A 10 6.420 7.195 -3.783 1.00 0.00 H new ATOM 0 HG2 LYS A 10 4.268 8.112 -3.107 1.00 0.00 H new ATOM 0 HG3 LYS A 10 4.771 8.185 -1.430 1.00 0.00 H new ATOM 0 HD2 LYS A 10 6.616 9.766 -2.090 1.00 0.00 H new ATOM 0 HD3 LYS A 10 6.013 9.741 -3.735 1.00 0.00 H new ATOM 0 HE2 LYS A 10 4.336 10.594 -1.347 1.00 0.00 H new ATOM 0 HE3 LYS A 10 5.265 11.714 -2.325 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 2.972 11.626 -3.033 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 3.982 11.040 -4.266 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 3.082 9.956 -3.319 1.00 0.00 H new ATOM 173 N THR A 11 7.962 4.844 -1.997 1.00 0.00 N ATOM 174 CA THR A 11 9.093 3.966 -2.255 1.00 0.00 C ATOM 175 C THR A 11 8.725 2.503 -1.992 1.00 0.00 C ATOM 176 O THR A 11 9.126 1.611 -2.744 1.00 0.00 O ATOM 177 CB THR A 11 10.304 4.362 -1.389 1.00 0.00 C ATOM 178 OG1 THR A 11 10.567 5.767 -1.529 1.00 0.00 O ATOM 179 CG2 THR A 11 11.540 3.577 -1.796 1.00 0.00 C ATOM 0 H THR A 11 8.107 5.500 -1.229 1.00 0.00 H new ATOM 0 HA THR A 11 9.360 4.075 -3.306 1.00 0.00 H new ATOM 0 HB THR A 11 10.068 4.133 -0.350 1.00 0.00 H new ATOM 0 HG1 THR A 11 9.916 6.276 -1.002 1.00 0.00 H new ATOM 0 HG21 THR A 11 12.382 3.874 -1.171 1.00 0.00 H new ATOM 0 HG22 THR A 11 11.352 2.511 -1.669 1.00 0.00 H new ATOM 0 HG23 THR A 11 11.774 3.782 -2.841 1.00 0.00 H new ATOM 187 N LYS A 12 7.954 2.268 -0.936 1.00 0.00 N ATOM 188 CA LYS A 12 7.488 0.924 -0.600 1.00 0.00 C ATOM 189 C LYS A 12 6.602 0.352 -1.702 1.00 0.00 C ATOM 190 O LYS A 12 6.685 -0.834 -2.022 1.00 0.00 O ATOM 191 CB LYS A 12 6.716 0.934 0.721 1.00 0.00 C ATOM 192 CG LYS A 12 7.600 0.979 1.954 1.00 0.00 C ATOM 193 CD LYS A 12 8.386 -0.310 2.115 1.00 0.00 C ATOM 194 CE LYS A 12 9.098 -0.375 3.453 1.00 0.00 C ATOM 195 NZ LYS A 12 9.786 -1.676 3.647 1.00 0.00 N ATOM 0 H LYS A 12 7.636 2.994 -0.294 1.00 0.00 H new ATOM 0 HA LYS A 12 8.369 0.291 -0.498 1.00 0.00 H new ATOM 0 HB2 LYS A 12 6.049 1.796 0.733 1.00 0.00 H new ATOM 0 HB3 LYS A 12 6.088 0.044 0.769 1.00 0.00 H new ATOM 0 HG2 LYS A 12 8.289 1.821 1.880 1.00 0.00 H new ATOM 0 HG3 LYS A 12 6.986 1.146 2.839 1.00 0.00 H new ATOM 0 HD2 LYS A 12 7.711 -1.161 2.021 1.00 0.00 H new ATOM 0 HD3 LYS A 12 9.117 -0.393 1.310 1.00 0.00 H new ATOM 0 HE2 LYS A 12 9.825 0.434 3.518 1.00 0.00 H new ATOM 0 HE3 LYS A 12 8.378 -0.221 4.256 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 9.859 -1.882 4.664 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 9.242 -2.429 3.179 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 10.739 -1.630 3.234 1.00 0.00 H new ATOM 209 N LEU A 13 5.756 1.200 -2.273 1.00 0.00 N ATOM 210 CA LEU A 13 4.864 0.790 -3.350 1.00 0.00 C ATOM 211 C LEU A 13 5.666 0.325 -4.560 1.00 0.00 C ATOM 212 O LEU A 13 5.295 -0.638 -5.231 1.00 0.00 O ATOM 213 CB LEU A 13 3.940 1.947 -3.737 1.00 0.00 C ATOM 214 CG LEU A 13 2.907 1.635 -4.824 1.00 0.00 C ATOM 215 CD1 LEU A 13 1.977 0.518 -4.376 1.00 0.00 C ATOM 216 CD2 LEU A 13 2.107 2.881 -5.171 1.00 0.00 C ATOM 0 H LEU A 13 5.669 2.181 -2.006 1.00 0.00 H new ATOM 0 HA LEU A 13 4.255 -0.044 -3.000 1.00 0.00 H new ATOM 0 HB2 LEU A 13 3.411 2.280 -2.844 1.00 0.00 H new ATOM 0 HB3 LEU A 13 4.555 2.782 -4.074 1.00 0.00 H new ATOM 0 HG LEU A 13 3.439 1.303 -5.716 1.00 0.00 H new ATOM 0 HD11 LEU A 13 1.251 0.312 -5.162 1.00 0.00 H new ATOM 0 HD12 LEU A 13 2.559 -0.381 -4.175 1.00 0.00 H new ATOM 0 HD13 LEU A 13 1.454 0.822 -3.469 1.00 0.00 H new ATOM 0 HD21 LEU A 13 1.378 2.641 -5.945 1.00 0.00 H new ATOM 0 HD22 LEU A 13 1.588 3.240 -4.282 1.00 0.00 H new ATOM 0 HD23 LEU A 13 2.781 3.656 -5.535 1.00 0.00 H new ATOM 228 N LYS A 14 6.783 0.996 -4.813 1.00 0.00 N ATOM 229 CA LYS A 14 7.649 0.660 -5.943 1.00 0.00 C ATOM 230 C LYS A 14 8.341 -0.688 -5.734 1.00 0.00 C ATOM 231 O LYS A 14 8.880 -1.273 -6.676 1.00 0.00 O ATOM 232 CB LYS A 14 8.700 1.749 -6.138 1.00 0.00 C ATOM 233 CG LYS A 14 8.111 3.134 -6.331 1.00 0.00 C ATOM 234 CD LYS A 14 9.197 4.193 -6.346 1.00 0.00 C ATOM 235 CE LYS A 14 8.612 5.593 -6.388 1.00 0.00 C ATOM 236 NZ LYS A 14 9.670 6.635 -6.397 1.00 0.00 N ATOM 0 H LYS A 14 7.114 1.780 -4.250 1.00 0.00 H new ATOM 0 HA LYS A 14 7.024 0.589 -6.833 1.00 0.00 H new ATOM 0 HB2 LYS A 14 9.362 1.762 -5.272 1.00 0.00 H new ATOM 0 HB3 LYS A 14 9.313 1.500 -7.004 1.00 0.00 H new ATOM 0 HG2 LYS A 14 7.553 3.168 -7.267 1.00 0.00 H new ATOM 0 HG3 LYS A 14 7.403 3.346 -5.530 1.00 0.00 H new ATOM 0 HD2 LYS A 14 9.823 4.086 -5.460 1.00 0.00 H new ATOM 0 HD3 LYS A 14 9.842 4.041 -7.212 1.00 0.00 H new ATOM 0 HE2 LYS A 14 7.990 5.700 -7.276 1.00 0.00 H new ATOM 0 HE3 LYS A 14 7.963 5.742 -5.525 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 9.230 7.577 -6.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 10.249 6.550 -5.537 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 10.274 6.509 -7.234 1.00 0.00 H new ATOM 250 N ASN A 15 8.338 -1.170 -4.495 1.00 0.00 N ATOM 251 CA ASN A 15 8.927 -2.468 -4.177 1.00 0.00 C ATOM 252 C ASN A 15 8.006 -3.588 -4.632 1.00 0.00 C ATOM 253 O ASN A 15 8.449 -4.695 -4.926 1.00 0.00 O ATOM 254 CB ASN A 15 9.187 -2.608 -2.676 1.00 0.00 C ATOM 255 CG ASN A 15 10.229 -1.640 -2.159 1.00 0.00 C ATOM 256 OD1 ASN A 15 11.142 -1.233 -2.884 1.00 0.00 O ATOM 257 ND2 ASN A 15 10.103 -1.267 -0.896 1.00 0.00 N ATOM 0 H ASN A 15 7.935 -0.682 -3.695 1.00 0.00 H new ATOM 0 HA ASN A 15 9.879 -2.536 -4.703 1.00 0.00 H new ATOM 0 HB2 ASN A 15 8.254 -2.450 -2.136 1.00 0.00 H new ATOM 0 HB3 ASN A 15 9.510 -3.627 -2.463 1.00 0.00 H new ATOM 0 HD21 ASN A 15 10.776 -0.619 -0.486 1.00 0.00 H new ATOM 0 HD22 ASN A 15 9.333 -1.628 -0.332 1.00 0.00 H new ATOM 264 N ILE A 16 6.720 -3.283 -4.683 1.00 0.00 N ATOM 265 CA ILE A 16 5.718 -4.239 -5.114 1.00 0.00 C ATOM 266 C ILE A 16 5.820 -4.444 -6.623 1.00 0.00 C ATOM 267 O ILE A 16 5.874 -3.473 -7.375 1.00 0.00 O ATOM 268 CB ILE A 16 4.300 -3.750 -4.746 1.00 0.00 C ATOM 269 CG1 ILE A 16 4.239 -3.411 -3.253 1.00 0.00 C ATOM 270 CG2 ILE A 16 3.257 -4.802 -5.102 1.00 0.00 C ATOM 271 CD1 ILE A 16 2.924 -2.806 -2.811 1.00 0.00 C ATOM 0 H ILE A 16 6.344 -2.370 -4.428 1.00 0.00 H new ATOM 0 HA ILE A 16 5.898 -5.185 -4.604 1.00 0.00 H new ATOM 0 HB ILE A 16 4.078 -2.851 -5.321 1.00 0.00 H new ATOM 0 HG12 ILE A 16 4.421 -4.319 -2.677 1.00 0.00 H new ATOM 0 HG13 ILE A 16 5.045 -2.716 -3.016 1.00 0.00 H new ATOM 0 HG21 ILE A 16 2.266 -4.437 -4.834 1.00 0.00 H new ATOM 0 HG22 ILE A 16 3.293 -5.002 -6.173 1.00 0.00 H new ATOM 0 HG23 ILE A 16 3.465 -5.721 -4.554 1.00 0.00 H new ATOM 0 HD11 ILE A 16 2.962 -2.595 -1.742 1.00 0.00 H new ATOM 0 HD12 ILE A 16 2.748 -1.880 -3.358 1.00 0.00 H new ATOM 0 HD13 ILE A 16 2.114 -3.507 -3.014 1.00 0.00 H new ATOM 283 N PRO A 17 5.873 -5.708 -7.079 1.00 0.00 N ATOM 284 CA PRO A 17 6.002 -6.038 -8.503 1.00 0.00 C ATOM 285 C PRO A 17 4.928 -5.371 -9.351 1.00 0.00 C ATOM 286 O PRO A 17 3.766 -5.320 -8.959 1.00 0.00 O ATOM 287 CB PRO A 17 5.851 -7.568 -8.546 1.00 0.00 C ATOM 288 CG PRO A 17 5.302 -7.951 -7.214 1.00 0.00 C ATOM 289 CD PRO A 17 5.806 -6.918 -6.250 1.00 0.00 C ATOM 0 HA PRO A 17 6.949 -5.686 -8.912 1.00 0.00 H new ATOM 0 HB2 PRO A 17 5.181 -7.874 -9.349 1.00 0.00 H new ATOM 0 HB3 PRO A 17 6.810 -8.052 -8.729 1.00 0.00 H new ATOM 0 HG2 PRO A 17 4.212 -7.970 -7.231 1.00 0.00 H new ATOM 0 HG3 PRO A 17 5.634 -8.949 -6.927 1.00 0.00 H new ATOM 0 HD2 PRO A 17 5.132 -6.792 -5.403 1.00 0.00 H new ATOM 0 HD3 PRO A 17 6.782 -7.185 -5.844 1.00 0.00 H new ATOM 297 N PHE A 18 5.322 -4.869 -10.520 1.00 0.00 N ATOM 298 CA PHE A 18 4.403 -4.154 -11.412 1.00 0.00 C ATOM 299 C PHE A 18 3.195 -5.015 -11.770 1.00 0.00 C ATOM 300 O PHE A 18 2.125 -4.499 -12.082 1.00 0.00 O ATOM 301 CB PHE A 18 5.124 -3.703 -12.689 1.00 0.00 C ATOM 302 CG PHE A 18 5.517 -4.825 -13.614 1.00 0.00 C ATOM 303 CD1 PHE A 18 6.647 -5.586 -13.368 1.00 0.00 C ATOM 304 CD2 PHE A 18 4.747 -5.118 -14.728 1.00 0.00 C ATOM 305 CE1 PHE A 18 7.003 -6.616 -14.215 1.00 0.00 C ATOM 306 CE2 PHE A 18 5.099 -6.146 -15.579 1.00 0.00 C ATOM 307 CZ PHE A 18 6.228 -6.896 -15.322 1.00 0.00 C ATOM 0 H PHE A 18 6.275 -4.943 -10.875 1.00 0.00 H new ATOM 0 HA PHE A 18 4.048 -3.272 -10.878 1.00 0.00 H new ATOM 0 HB2 PHE A 18 4.478 -3.012 -13.231 1.00 0.00 H new ATOM 0 HB3 PHE A 18 6.020 -3.149 -12.409 1.00 0.00 H new ATOM 0 HD1 PHE A 18 7.257 -5.371 -12.503 1.00 0.00 H new ATOM 0 HD2 PHE A 18 3.861 -4.535 -14.933 1.00 0.00 H new ATOM 0 HE1 PHE A 18 7.887 -7.202 -14.012 1.00 0.00 H new ATOM 0 HE2 PHE A 18 4.491 -6.363 -16.445 1.00 0.00 H new ATOM 0 HZ PHE A 18 6.505 -7.701 -15.986 1.00 0.00 H new ATOM 317 N PHE A 19 3.374 -6.326 -11.706 1.00 0.00 N ATOM 318 CA PHE A 19 2.307 -7.276 -11.986 1.00 0.00 C ATOM 319 C PHE A 19 1.159 -7.136 -10.978 1.00 0.00 C ATOM 320 O PHE A 19 0.007 -7.440 -11.287 1.00 0.00 O ATOM 321 CB PHE A 19 2.883 -8.695 -11.953 1.00 0.00 C ATOM 322 CG PHE A 19 1.855 -9.785 -12.066 1.00 0.00 C ATOM 323 CD1 PHE A 19 1.165 -9.987 -13.246 1.00 0.00 C ATOM 324 CD2 PHE A 19 1.580 -10.606 -10.982 1.00 0.00 C ATOM 325 CE1 PHE A 19 0.221 -10.989 -13.348 1.00 0.00 C ATOM 326 CE2 PHE A 19 0.636 -11.608 -11.080 1.00 0.00 C ATOM 327 CZ PHE A 19 -0.045 -11.799 -12.265 1.00 0.00 C ATOM 0 H PHE A 19 4.263 -6.761 -11.459 1.00 0.00 H new ATOM 0 HA PHE A 19 1.898 -7.069 -12.975 1.00 0.00 H new ATOM 0 HB2 PHE A 19 3.599 -8.802 -12.767 1.00 0.00 H new ATOM 0 HB3 PHE A 19 3.435 -8.828 -11.023 1.00 0.00 H new ATOM 0 HD1 PHE A 19 1.366 -9.354 -14.098 1.00 0.00 H new ATOM 0 HD2 PHE A 19 2.110 -10.460 -10.052 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -0.309 -11.138 -14.277 1.00 0.00 H new ATOM 0 HE2 PHE A 19 0.430 -12.242 -10.230 1.00 0.00 H new ATOM 0 HZ PHE A 19 -0.785 -12.582 -12.344 1.00 0.00 H new ATOM 337 N ALA A 20 1.477 -6.660 -9.781 1.00 0.00 N ATOM 338 CA ALA A 20 0.492 -6.570 -8.712 1.00 0.00 C ATOM 339 C ALA A 20 0.530 -5.209 -8.022 1.00 0.00 C ATOM 340 O ALA A 20 -0.094 -5.020 -6.982 1.00 0.00 O ATOM 341 CB ALA A 20 0.739 -7.677 -7.697 1.00 0.00 C ATOM 0 H ALA A 20 2.408 -6.331 -9.527 1.00 0.00 H new ATOM 0 HA ALA A 20 -0.498 -6.688 -9.153 1.00 0.00 H new ATOM 0 HB1 ALA A 20 0.001 -7.609 -6.897 1.00 0.00 H new ATOM 0 HB2 ALA A 20 0.653 -8.646 -8.188 1.00 0.00 H new ATOM 0 HB3 ALA A 20 1.739 -7.570 -7.278 1.00 0.00 H new ATOM 347 N ARG A 21 1.234 -4.258 -8.621 1.00 0.00 N ATOM 348 CA ARG A 21 1.480 -2.970 -7.978 1.00 0.00 C ATOM 349 C ARG A 21 0.207 -2.131 -7.883 1.00 0.00 C ATOM 350 O ARG A 21 -0.126 -1.619 -6.814 1.00 0.00 O ATOM 351 CB ARG A 21 2.578 -2.206 -8.721 1.00 0.00 C ATOM 352 CG ARG A 21 2.948 -0.886 -8.068 1.00 0.00 C ATOM 353 CD ARG A 21 4.434 -0.594 -8.198 1.00 0.00 C ATOM 354 NE ARG A 21 4.874 -0.469 -9.587 1.00 0.00 N ATOM 355 CZ ARG A 21 6.001 -1.005 -10.057 1.00 0.00 C ATOM 356 NH1 ARG A 21 6.736 -1.801 -9.294 1.00 0.00 N ATOM 357 NH2 ARG A 21 6.377 -0.768 -11.307 1.00 0.00 N ATOM 0 H ARG A 21 1.645 -4.352 -9.550 1.00 0.00 H new ATOM 0 HA ARG A 21 1.815 -3.166 -6.960 1.00 0.00 H new ATOM 0 HB2 ARG A 21 3.467 -2.833 -8.783 1.00 0.00 H new ATOM 0 HB3 ARG A 21 2.250 -2.017 -9.743 1.00 0.00 H new ATOM 0 HG2 ARG A 21 2.377 -0.079 -8.528 1.00 0.00 H new ATOM 0 HG3 ARG A 21 2.673 -0.911 -7.014 1.00 0.00 H new ATOM 0 HD2 ARG A 21 4.665 0.329 -7.665 1.00 0.00 H new ATOM 0 HD3 ARG A 21 4.999 -1.391 -7.714 1.00 0.00 H new ATOM 0 HE ARG A 21 4.286 0.058 -10.233 1.00 0.00 H new ATOM 0 HH11 ARG A 21 6.441 -2.008 -8.340 1.00 0.00 H new ATOM 0 HH12 ARG A 21 7.597 -2.207 -9.661 1.00 0.00 H new ATOM 0 HH21 ARG A 21 5.804 -0.176 -11.908 1.00 0.00 H new ATOM 0 HH22 ARG A 21 7.239 -1.178 -11.667 1.00 0.00 H new ATOM 371 N SER A 22 -0.510 -2.003 -8.989 1.00 0.00 N ATOM 372 CA SER A 22 -1.746 -1.234 -9.001 1.00 0.00 C ATOM 373 C SER A 22 -2.824 -1.948 -8.187 1.00 0.00 C ATOM 374 O SER A 22 -3.683 -1.311 -7.575 1.00 0.00 O ATOM 375 CB SER A 22 -2.214 -1.015 -10.438 1.00 0.00 C ATOM 376 OG SER A 22 -1.175 -0.465 -11.229 1.00 0.00 O ATOM 0 H SER A 22 -0.259 -2.419 -9.886 1.00 0.00 H new ATOM 0 HA SER A 22 -1.560 -0.262 -8.545 1.00 0.00 H new ATOM 0 HB2 SER A 22 -2.541 -1.962 -10.867 1.00 0.00 H new ATOM 0 HB3 SER A 22 -3.076 -0.347 -10.447 1.00 0.00 H new ATOM 0 HG SER A 22 -1.496 -0.335 -12.146 1.00 0.00 H new ATOM 382 N GLN A 23 -2.759 -3.275 -8.173 1.00 0.00 N ATOM 383 CA GLN A 23 -3.686 -4.082 -7.394 1.00 0.00 C ATOM 384 C GLN A 23 -3.429 -3.884 -5.902 1.00 0.00 C ATOM 385 O GLN A 23 -4.360 -3.691 -5.113 1.00 0.00 O ATOM 386 CB GLN A 23 -3.542 -5.561 -7.767 1.00 0.00 C ATOM 387 CG GLN A 23 -4.512 -6.472 -7.030 1.00 0.00 C ATOM 388 CD GLN A 23 -5.962 -6.209 -7.394 1.00 0.00 C ATOM 389 OE1 GLN A 23 -6.855 -6.341 -6.557 1.00 0.00 O ATOM 390 NE2 GLN A 23 -6.215 -5.875 -8.651 1.00 0.00 N ATOM 0 H GLN A 23 -2.070 -3.815 -8.696 1.00 0.00 H new ATOM 0 HA GLN A 23 -4.704 -3.764 -7.619 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -3.696 -5.673 -8.840 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -2.522 -5.883 -7.556 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -4.269 -7.511 -7.254 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -4.382 -6.339 -5.956 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -5.448 -5.775 -9.316 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -7.176 -5.718 -8.953 1.00 0.00 H new ATOM 399 N ALA A 24 -2.156 -3.922 -5.528 1.00 0.00 N ATOM 400 CA ALA A 24 -1.759 -3.720 -4.148 1.00 0.00 C ATOM 401 C ALA A 24 -2.092 -2.307 -3.697 1.00 0.00 C ATOM 402 O ALA A 24 -2.605 -2.112 -2.599 1.00 0.00 O ATOM 403 CB ALA A 24 -0.277 -4.007 -3.964 1.00 0.00 C ATOM 0 H ALA A 24 -1.380 -4.092 -6.168 1.00 0.00 H new ATOM 0 HA ALA A 24 -2.319 -4.419 -3.527 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -0.002 -3.849 -2.921 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -0.069 -5.041 -4.241 1.00 0.00 H new ATOM 0 HB3 ALA A 24 0.305 -3.338 -4.598 1.00 0.00 H new ATOM 409 N LYS A 25 -1.816 -1.328 -4.560 1.00 0.00 N ATOM 410 CA LYS A 25 -2.118 0.070 -4.269 1.00 0.00 C ATOM 411 C LYS A 25 -3.587 0.234 -3.892 1.00 0.00 C ATOM 412 O LYS A 25 -3.916 0.931 -2.932 1.00 0.00 O ATOM 413 CB LYS A 25 -1.780 0.958 -5.473 1.00 0.00 C ATOM 414 CG LYS A 25 -1.981 2.436 -5.195 1.00 0.00 C ATOM 415 CD LYS A 25 -1.532 3.307 -6.355 1.00 0.00 C ATOM 416 CE LYS A 25 -1.618 4.782 -5.993 1.00 0.00 C ATOM 417 NZ LYS A 25 -1.149 5.656 -7.097 1.00 0.00 N ATOM 0 H LYS A 25 -1.382 -1.481 -5.470 1.00 0.00 H new ATOM 0 HA LYS A 25 -1.504 0.381 -3.424 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -0.744 0.786 -5.764 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -2.402 0.665 -6.319 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -3.035 2.625 -4.989 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -1.426 2.714 -4.299 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -0.507 3.055 -6.629 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -2.154 3.106 -7.228 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -2.649 5.034 -5.744 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -1.020 4.972 -5.102 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -1.225 6.652 -6.807 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -0.157 5.434 -7.318 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -1.736 5.495 -7.940 1.00 0.00 H new ATOM 431 N ALA A 26 -4.458 -0.434 -4.641 1.00 0.00 N ATOM 432 CA ALA A 26 -5.888 -0.402 -4.364 1.00 0.00 C ATOM 433 C ALA A 26 -6.190 -0.930 -2.965 1.00 0.00 C ATOM 434 O ALA A 26 -6.994 -0.351 -2.233 1.00 0.00 O ATOM 435 CB ALA A 26 -6.647 -1.200 -5.412 1.00 0.00 C ATOM 0 H ALA A 26 -4.197 -1.005 -5.445 1.00 0.00 H new ATOM 0 HA ALA A 26 -6.218 0.636 -4.408 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -7.714 -1.167 -5.192 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -6.466 -0.771 -6.398 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -6.306 -2.235 -5.399 1.00 0.00 H new ATOM 441 N ARG A 27 -5.533 -2.024 -2.587 1.00 0.00 N ATOM 442 CA ARG A 27 -5.740 -2.609 -1.268 1.00 0.00 C ATOM 443 C ARG A 27 -5.153 -1.719 -0.175 1.00 0.00 C ATOM 444 O ARG A 27 -5.731 -1.588 0.900 1.00 0.00 O ATOM 445 CB ARG A 27 -5.131 -4.010 -1.185 1.00 0.00 C ATOM 446 CG ARG A 27 -5.298 -4.658 0.183 1.00 0.00 C ATOM 447 CD ARG A 27 -4.826 -6.101 0.193 1.00 0.00 C ATOM 448 NE ARG A 27 -5.665 -6.962 -0.644 1.00 0.00 N ATOM 449 CZ ARG A 27 -5.824 -8.270 -0.443 1.00 0.00 C ATOM 450 NH1 ARG A 27 -5.247 -8.863 0.594 1.00 0.00 N ATOM 451 NH2 ARG A 27 -6.586 -8.984 -1.264 1.00 0.00 N ATOM 0 H ARG A 27 -4.859 -2.519 -3.171 1.00 0.00 H new ATOM 0 HA ARG A 27 -6.816 -2.689 -1.111 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -5.594 -4.646 -1.940 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -4.069 -3.952 -1.425 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -4.737 -4.089 0.924 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -6.347 -4.618 0.477 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -3.795 -6.147 -0.159 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -4.830 -6.476 1.216 1.00 0.00 H new ATOM 0 HE ARG A 27 -6.157 -6.535 -1.428 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -4.679 -8.318 1.242 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -5.372 -9.864 0.743 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -7.051 -8.531 -2.051 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -6.706 -9.985 -1.108 1.00 0.00 H new ATOM 465 N ILE A 28 -4.007 -1.106 -0.451 1.00 0.00 N ATOM 466 CA ILE A 28 -3.352 -0.230 0.518 1.00 0.00 C ATOM 467 C ILE A 28 -4.260 0.936 0.894 1.00 0.00 C ATOM 468 O ILE A 28 -4.484 1.205 2.076 1.00 0.00 O ATOM 469 CB ILE A 28 -2.014 0.315 -0.021 1.00 0.00 C ATOM 470 CG1 ILE A 28 -1.071 -0.843 -0.339 1.00 0.00 C ATOM 471 CG2 ILE A 28 -1.378 1.258 0.992 1.00 0.00 C ATOM 472 CD1 ILE A 28 0.158 -0.435 -1.118 1.00 0.00 C ATOM 0 H ILE A 28 -3.511 -1.199 -1.338 1.00 0.00 H new ATOM 0 HA ILE A 28 -3.148 -0.830 1.405 1.00 0.00 H new ATOM 0 HB ILE A 28 -2.204 0.875 -0.937 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -0.759 -1.311 0.594 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -1.616 -1.597 -0.907 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -0.434 1.634 0.597 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -2.051 2.094 1.183 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -1.193 0.721 1.923 1.00 0.00 H new ATOM 0 HD11 ILE A 28 0.778 -1.312 -1.305 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -0.143 0.006 -2.068 1.00 0.00 H new ATOM 0 HD13 ILE A 28 0.727 0.296 -0.543 1.00 0.00 H new ATOM 484 N GLU A 29 -4.802 1.609 -0.113 1.00 0.00 N ATOM 485 CA GLU A 29 -5.697 2.732 0.125 1.00 0.00 C ATOM 486 C GLU A 29 -7.002 2.243 0.754 1.00 0.00 C ATOM 487 O GLU A 29 -7.641 2.957 1.524 1.00 0.00 O ATOM 488 CB GLU A 29 -5.963 3.495 -1.178 1.00 0.00 C ATOM 489 CG GLU A 29 -4.685 3.959 -1.862 1.00 0.00 C ATOM 490 CD GLU A 29 -4.927 4.925 -3.005 1.00 0.00 C ATOM 491 OE1 GLU A 29 -5.833 4.682 -3.826 1.00 0.00 O ATOM 492 OE2 GLU A 29 -4.204 5.942 -3.082 1.00 0.00 O ATOM 0 H GLU A 29 -4.638 1.398 -1.097 1.00 0.00 H new ATOM 0 HA GLU A 29 -5.219 3.420 0.823 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -6.523 2.855 -1.860 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -6.590 4.361 -0.965 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -4.040 4.436 -1.124 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -4.148 3.089 -2.240 1.00 0.00 H new ATOM 499 N GLN A 30 -7.375 1.005 0.438 1.00 0.00 N ATOM 500 CA GLN A 30 -8.531 0.360 1.055 1.00 0.00 C ATOM 501 C GLN A 30 -8.285 0.148 2.546 1.00 0.00 C ATOM 502 O GLN A 30 -9.148 0.430 3.379 1.00 0.00 O ATOM 503 CB GLN A 30 -8.800 -0.984 0.374 1.00 0.00 C ATOM 504 CG GLN A 30 -9.990 -1.744 0.938 1.00 0.00 C ATOM 505 CD GLN A 30 -10.146 -3.114 0.309 1.00 0.00 C ATOM 506 OE1 GLN A 30 -9.609 -4.107 0.804 1.00 0.00 O ATOM 507 NE2 GLN A 30 -10.866 -3.172 -0.798 1.00 0.00 N ATOM 0 H GLN A 30 -6.889 0.425 -0.247 1.00 0.00 H new ATOM 0 HA GLN A 30 -9.401 1.005 0.932 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -8.964 -0.813 -0.690 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -7.910 -1.608 0.463 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -9.871 -1.853 2.016 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -10.899 -1.165 0.774 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -11.293 -2.325 -1.174 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -10.995 -4.063 -1.277 1.00 0.00 H new ATOM 516 N LEU A 31 -7.097 -0.344 2.871 1.00 0.00 N ATOM 517 CA LEU A 31 -6.696 -0.563 4.255 1.00 0.00 C ATOM 518 C LEU A 31 -6.689 0.753 5.023 1.00 0.00 C ATOM 519 O LEU A 31 -7.068 0.801 6.190 1.00 0.00 O ATOM 520 CB LEU A 31 -5.307 -1.211 4.309 1.00 0.00 C ATOM 521 CG LEU A 31 -5.210 -2.602 3.677 1.00 0.00 C ATOM 522 CD1 LEU A 31 -3.757 -3.020 3.512 1.00 0.00 C ATOM 523 CD2 LEU A 31 -5.963 -3.624 4.515 1.00 0.00 C ATOM 0 H LEU A 31 -6.386 -0.602 2.186 1.00 0.00 H new ATOM 0 HA LEU A 31 -7.417 -1.235 4.721 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -4.597 -0.552 3.809 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -4.997 -1.281 5.352 1.00 0.00 H new ATOM 0 HG LEU A 31 -5.669 -2.558 2.689 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.713 -4.011 3.061 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -3.244 -2.305 2.869 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -3.272 -3.043 4.488 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -5.883 -4.606 4.050 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -5.534 -3.661 5.516 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -7.013 -3.338 4.580 1.00 0.00 H new ATOM 535 N ALA A 32 -6.270 1.821 4.353 1.00 0.00 N ATOM 536 CA ALA A 32 -6.243 3.144 4.966 1.00 0.00 C ATOM 537 C ALA A 32 -7.655 3.659 5.229 1.00 0.00 C ATOM 538 O ALA A 32 -7.883 4.408 6.178 1.00 0.00 O ATOM 539 CB ALA A 32 -5.471 4.118 4.095 1.00 0.00 C ATOM 0 H ALA A 32 -5.945 1.797 3.387 1.00 0.00 H new ATOM 0 HA ALA A 32 -5.734 3.060 5.926 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -5.461 5.100 4.568 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -4.447 3.764 3.972 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -5.949 4.190 3.118 1.00 0.00 H new ATOM 545 N ARG A 33 -8.602 3.248 4.390 1.00 0.00 N ATOM 546 CA ARG A 33 -10.004 3.592 4.598 1.00 0.00 C ATOM 547 C ARG A 33 -10.531 2.904 5.855 1.00 0.00 C ATOM 548 O ARG A 33 -11.302 3.484 6.618 1.00 0.00 O ATOM 549 CB ARG A 33 -10.852 3.184 3.391 1.00 0.00 C ATOM 550 CG ARG A 33 -10.512 3.929 2.108 1.00 0.00 C ATOM 551 CD ARG A 33 -10.753 5.425 2.241 1.00 0.00 C ATOM 552 NE ARG A 33 -12.105 5.722 2.714 1.00 0.00 N ATOM 553 CZ ARG A 33 -12.805 6.796 2.360 1.00 0.00 C ATOM 554 NH1 ARG A 33 -12.316 7.661 1.483 1.00 0.00 N ATOM 555 NH2 ARG A 33 -14.004 6.997 2.885 1.00 0.00 N ATOM 0 H ARG A 33 -8.424 2.678 3.563 1.00 0.00 H new ATOM 0 HA ARG A 33 -10.074 4.673 4.720 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -10.729 2.115 3.220 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -11.903 3.351 3.627 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -9.468 3.751 1.850 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -11.114 3.535 1.289 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -10.025 5.849 2.933 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -10.593 5.905 1.276 1.00 0.00 H new ATOM 0 HE ARG A 33 -12.540 5.061 3.358 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -11.395 7.506 1.073 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -12.861 8.482 1.218 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -14.385 6.330 3.556 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -14.546 7.819 2.618 1.00 0.00 H new ATOM 569 N GLN A 34 -10.095 1.669 6.070 1.00 0.00 N ATOM 570 CA GLN A 34 -10.472 0.916 7.260 1.00 0.00 C ATOM 571 C GLN A 34 -9.755 1.473 8.482 1.00 0.00 C ATOM 572 O GLN A 34 -10.289 1.465 9.592 1.00 0.00 O ATOM 573 CB GLN A 34 -10.147 -0.568 7.083 1.00 0.00 C ATOM 574 CG GLN A 34 -10.869 -1.207 5.910 1.00 0.00 C ATOM 575 CD GLN A 34 -10.559 -2.684 5.761 1.00 0.00 C ATOM 576 OE1 GLN A 34 -11.393 -3.456 5.290 1.00 0.00 O ATOM 577 NE2 GLN A 34 -9.358 -3.087 6.156 1.00 0.00 N ATOM 0 H GLN A 34 -9.477 1.166 5.433 1.00 0.00 H new ATOM 0 HA GLN A 34 -11.547 1.016 7.408 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -9.072 -0.683 6.945 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -10.410 -1.102 7.996 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -11.944 -1.077 6.037 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -10.591 -0.688 4.992 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -8.695 -2.414 6.541 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -9.097 -4.070 6.074 1.00 0.00 H new ATOM 586 N ALA A 35 -8.541 1.966 8.265 1.00 0.00 N ATOM 587 CA ALA A 35 -7.774 2.620 9.318 1.00 0.00 C ATOM 588 C ALA A 35 -8.344 4.006 9.597 1.00 0.00 C ATOM 589 O ALA A 35 -8.032 4.624 10.616 1.00 0.00 O ATOM 590 CB ALA A 35 -6.305 2.712 8.925 1.00 0.00 C ATOM 0 H ALA A 35 -8.065 1.925 7.364 1.00 0.00 H new ATOM 0 HA ALA A 35 -7.847 2.025 10.228 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -5.745 3.203 9.721 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -5.907 1.710 8.766 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -6.210 3.290 8.006 1.00 0.00 H new ATOM 596 N GLU A 36 -9.192 4.470 8.680 1.00 0.00 N ATOM 597 CA GLU A 36 -9.861 5.761 8.800 1.00 0.00 C ATOM 598 C GLU A 36 -8.843 6.894 8.836 1.00 0.00 C ATOM 599 O GLU A 36 -8.773 7.673 9.788 1.00 0.00 O ATOM 600 CB GLU A 36 -10.772 5.788 10.029 1.00 0.00 C ATOM 601 CG GLU A 36 -11.860 4.728 9.976 1.00 0.00 C ATOM 602 CD GLU A 36 -12.796 4.785 11.160 1.00 0.00 C ATOM 603 OE1 GLU A 36 -13.794 5.534 11.096 1.00 0.00 O ATOM 604 OE2 GLU A 36 -12.549 4.073 12.154 1.00 0.00 O ATOM 0 H GLU A 36 -9.434 3.958 7.831 1.00 0.00 H new ATOM 0 HA GLU A 36 -10.488 5.907 7.921 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -10.170 5.640 10.926 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -11.233 6.772 10.113 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -12.435 4.851 9.058 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -11.397 3.742 9.932 1.00 0.00 H new ATOM 611 N GLN A 37 -8.039 6.949 7.786 1.00 0.00 N ATOM 612 CA GLN A 37 -7.026 7.979 7.626 1.00 0.00 C ATOM 613 C GLN A 37 -6.829 8.269 6.145 1.00 0.00 C ATOM 614 O GLN A 37 -7.167 7.443 5.296 1.00 0.00 O ATOM 615 CB GLN A 37 -5.710 7.532 8.277 1.00 0.00 C ATOM 616 CG GLN A 37 -5.293 6.120 7.898 1.00 0.00 C ATOM 617 CD GLN A 37 -4.153 5.594 8.747 1.00 0.00 C ATOM 618 OE1 GLN A 37 -4.367 5.026 9.820 1.00 0.00 O ATOM 619 NE2 GLN A 37 -2.939 5.742 8.263 1.00 0.00 N ATOM 0 H GLN A 37 -8.071 6.278 7.018 1.00 0.00 H new ATOM 0 HA GLN A 37 -7.353 8.893 8.122 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -4.919 8.225 7.991 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -5.811 7.594 9.361 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -6.150 5.454 7.997 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -4.996 6.103 6.849 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -2.800 6.218 7.371 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -2.137 5.381 8.779 1.00 0.00 H new ATOM 628 N ASP A 38 -6.301 9.442 5.834 1.00 0.00 N ATOM 629 CA ASP A 38 -6.098 9.836 4.444 1.00 0.00 C ATOM 630 C ASP A 38 -4.662 9.601 4.034 1.00 0.00 C ATOM 631 O ASP A 38 -4.335 9.622 2.850 1.00 0.00 O ATOM 632 CB ASP A 38 -6.444 11.312 4.232 1.00 0.00 C ATOM 633 CG ASP A 38 -7.925 11.591 4.326 1.00 0.00 C ATOM 634 OD1 ASP A 38 -8.655 11.279 3.362 1.00 0.00 O ATOM 635 OD2 ASP A 38 -8.368 12.132 5.359 1.00 0.00 O ATOM 0 H ASP A 38 -6.006 10.137 6.520 1.00 0.00 H new ATOM 0 HA ASP A 38 -6.760 9.226 3.829 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -5.919 11.913 4.975 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -6.082 11.627 3.253 1.00 0.00 H new ATOM 640 N ILE A 39 -3.814 9.382 5.020 1.00 0.00 N ATOM 641 CA ILE A 39 -2.391 9.217 4.787 1.00 0.00 C ATOM 642 C ILE A 39 -1.987 7.768 5.007 1.00 0.00 C ATOM 643 O ILE A 39 -2.251 7.199 6.065 1.00 0.00 O ATOM 644 CB ILE A 39 -1.575 10.130 5.724 1.00 0.00 C ATOM 645 CG1 ILE A 39 -2.041 11.582 5.584 1.00 0.00 C ATOM 646 CG2 ILE A 39 -0.087 10.017 5.417 1.00 0.00 C ATOM 647 CD1 ILE A 39 -1.429 12.521 6.599 1.00 0.00 C ATOM 0 H ILE A 39 -4.089 9.314 6.000 1.00 0.00 H new ATOM 0 HA ILE A 39 -2.181 9.497 3.755 1.00 0.00 H new ATOM 0 HB ILE A 39 -1.738 9.808 6.752 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -1.798 11.937 4.582 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -3.126 11.616 5.680 1.00 0.00 H new ATOM 0 HG21 ILE A 39 0.473 10.668 6.088 1.00 0.00 H new ATOM 0 HG22 ILE A 39 0.236 8.986 5.558 1.00 0.00 H new ATOM 0 HG23 ILE A 39 0.095 10.316 4.385 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -1.807 13.530 6.436 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -1.693 12.193 7.604 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -0.344 12.518 6.490 1.00 0.00 H new ATOM 659 N VAL A 40 -1.364 7.165 4.007 1.00 0.00 N ATOM 660 CA VAL A 40 -0.935 5.782 4.119 1.00 0.00 C ATOM 661 C VAL A 40 0.510 5.701 4.602 1.00 0.00 C ATOM 662 O VAL A 40 1.374 6.483 4.186 1.00 0.00 O ATOM 663 CB VAL A 40 -1.080 5.013 2.786 1.00 0.00 C ATOM 664 CG1 VAL A 40 -2.510 5.085 2.278 1.00 0.00 C ATOM 665 CG2 VAL A 40 -0.119 5.538 1.736 1.00 0.00 C ATOM 0 H VAL A 40 -1.146 7.609 3.115 1.00 0.00 H new ATOM 0 HA VAL A 40 -1.590 5.310 4.851 1.00 0.00 H new ATOM 0 HB VAL A 40 -0.829 3.970 2.978 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -2.591 4.538 1.339 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -3.181 4.642 3.015 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -2.786 6.127 2.115 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -0.247 4.975 0.811 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -0.323 6.592 1.550 1.00 0.00 H new ATOM 0 HG23 VAL A 40 0.905 5.424 2.091 1.00 0.00 H new ATOM 675 N THR A 41 0.758 4.777 5.507 1.00 0.00 N ATOM 676 CA THR A 41 2.092 4.541 6.012 1.00 0.00 C ATOM 677 C THR A 41 2.727 3.348 5.300 1.00 0.00 C ATOM 678 O THR A 41 2.015 2.485 4.771 1.00 0.00 O ATOM 679 CB THR A 41 2.052 4.293 7.530 1.00 0.00 C ATOM 680 OG1 THR A 41 0.902 3.500 7.858 1.00 0.00 O ATOM 681 CG2 THR A 41 2.000 5.608 8.291 1.00 0.00 C ATOM 0 H THR A 41 0.043 4.172 5.911 1.00 0.00 H new ATOM 0 HA THR A 41 2.698 5.426 5.817 1.00 0.00 H new ATOM 0 HB THR A 41 2.959 3.762 7.818 1.00 0.00 H new ATOM 0 HG1 THR A 41 1.143 2.842 8.543 1.00 0.00 H new ATOM 0 HG21 THR A 41 1.972 5.408 9.362 1.00 0.00 H new ATOM 0 HG22 THR A 41 2.884 6.200 8.055 1.00 0.00 H new ATOM 0 HG23 THR A 41 1.106 6.161 8.002 1.00 0.00 H new ATOM 689 N PRO A 42 4.068 3.289 5.256 1.00 0.00 N ATOM 690 CA PRO A 42 4.795 2.192 4.607 1.00 0.00 C ATOM 691 C PRO A 42 4.396 0.819 5.152 1.00 0.00 C ATOM 692 O PRO A 42 4.414 -0.174 4.424 1.00 0.00 O ATOM 693 CB PRO A 42 6.269 2.485 4.920 1.00 0.00 C ATOM 694 CG PRO A 42 6.251 3.498 6.014 1.00 0.00 C ATOM 695 CD PRO A 42 4.987 4.283 5.829 1.00 0.00 C ATOM 0 HA PRO A 42 4.578 2.148 3.540 1.00 0.00 H new ATOM 0 HB2 PRO A 42 6.791 1.580 5.232 1.00 0.00 H new ATOM 0 HB3 PRO A 42 6.788 2.866 4.041 1.00 0.00 H new ATOM 0 HG2 PRO A 42 6.272 3.017 6.992 1.00 0.00 H new ATOM 0 HG3 PRO A 42 7.125 4.147 5.959 1.00 0.00 H new ATOM 0 HD2 PRO A 42 4.616 4.680 6.774 1.00 0.00 H new ATOM 0 HD3 PRO A 42 5.132 5.132 5.161 1.00 0.00 H new ATOM 703 N GLU A 43 4.034 0.774 6.433 1.00 0.00 N ATOM 704 CA GLU A 43 3.605 -0.464 7.072 1.00 0.00 C ATOM 705 C GLU A 43 2.361 -1.033 6.387 1.00 0.00 C ATOM 706 O GLU A 43 2.257 -2.242 6.175 1.00 0.00 O ATOM 707 CB GLU A 43 3.324 -0.239 8.563 1.00 0.00 C ATOM 708 CG GLU A 43 4.518 0.294 9.345 1.00 0.00 C ATOM 709 CD GLU A 43 4.541 1.809 9.445 1.00 0.00 C ATOM 710 OE1 GLU A 43 4.426 2.483 8.408 1.00 0.00 O ATOM 711 OE2 GLU A 43 4.662 2.327 10.579 1.00 0.00 O ATOM 0 H GLU A 43 4.030 1.586 7.050 1.00 0.00 H new ATOM 0 HA GLU A 43 4.416 -1.185 6.973 1.00 0.00 H new ATOM 0 HB2 GLU A 43 2.495 0.461 8.664 1.00 0.00 H new ATOM 0 HB3 GLU A 43 3.002 -1.181 9.008 1.00 0.00 H new ATOM 0 HG2 GLU A 43 4.504 -0.130 10.349 1.00 0.00 H new ATOM 0 HG3 GLU A 43 5.437 -0.046 8.868 1.00 0.00 H new ATOM 718 N LEU A 44 1.428 -0.157 6.030 1.00 0.00 N ATOM 719 CA LEU A 44 0.209 -0.577 5.339 1.00 0.00 C ATOM 720 C LEU A 44 0.532 -1.021 3.920 1.00 0.00 C ATOM 721 O LEU A 44 -0.077 -1.954 3.391 1.00 0.00 O ATOM 722 CB LEU A 44 -0.828 0.551 5.314 1.00 0.00 C ATOM 723 CG LEU A 44 -1.779 0.602 6.517 1.00 0.00 C ATOM 724 CD1 LEU A 44 -1.012 0.797 7.818 1.00 0.00 C ATOM 725 CD2 LEU A 44 -2.809 1.708 6.337 1.00 0.00 C ATOM 0 H LEU A 44 1.490 0.846 6.206 1.00 0.00 H new ATOM 0 HA LEU A 44 -0.215 -1.418 5.887 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -0.302 1.503 5.249 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -1.424 0.453 4.406 1.00 0.00 H new ATOM 0 HG LEU A 44 -2.299 -0.354 6.573 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -1.713 0.829 8.652 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -0.318 -0.032 7.959 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -0.455 1.733 7.775 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -3.475 1.729 7.200 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -2.300 2.668 6.248 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -3.391 1.520 5.434 1.00 0.00 H new ATOM 737 N VAL A 45 1.507 -0.356 3.319 1.00 0.00 N ATOM 738 CA VAL A 45 1.957 -0.702 1.980 1.00 0.00 C ATOM 739 C VAL A 45 2.559 -2.103 1.972 1.00 0.00 C ATOM 740 O VAL A 45 2.239 -2.927 1.112 1.00 0.00 O ATOM 741 CB VAL A 45 3.002 0.303 1.457 1.00 0.00 C ATOM 742 CG1 VAL A 45 3.437 -0.050 0.041 1.00 0.00 C ATOM 743 CG2 VAL A 45 2.452 1.717 1.511 1.00 0.00 C ATOM 0 H VAL A 45 2.003 0.429 3.740 1.00 0.00 H new ATOM 0 HA VAL A 45 1.087 -0.669 1.324 1.00 0.00 H new ATOM 0 HB VAL A 45 3.879 0.248 2.102 1.00 0.00 H new ATOM 0 HG11 VAL A 45 4.174 0.675 -0.304 1.00 0.00 H new ATOM 0 HG12 VAL A 45 3.877 -1.047 0.033 1.00 0.00 H new ATOM 0 HG13 VAL A 45 2.571 -0.030 -0.621 1.00 0.00 H new ATOM 0 HG21 VAL A 45 3.203 2.414 1.138 1.00 0.00 H new ATOM 0 HG22 VAL A 45 1.557 1.783 0.893 1.00 0.00 H new ATOM 0 HG23 VAL A 45 2.201 1.971 2.541 1.00 0.00 H new ATOM 753 N GLU A 46 3.419 -2.368 2.950 1.00 0.00 N ATOM 754 CA GLU A 46 4.047 -3.672 3.074 1.00 0.00 C ATOM 755 C GLU A 46 2.989 -4.736 3.362 1.00 0.00 C ATOM 756 O GLU A 46 3.043 -5.834 2.816 1.00 0.00 O ATOM 757 CB GLU A 46 5.098 -3.661 4.188 1.00 0.00 C ATOM 758 CG GLU A 46 6.152 -4.750 4.054 1.00 0.00 C ATOM 759 CD GLU A 46 7.152 -4.465 2.947 1.00 0.00 C ATOM 760 OE1 GLU A 46 8.182 -3.813 3.226 1.00 0.00 O ATOM 761 OE2 GLU A 46 6.921 -4.895 1.798 1.00 0.00 O ATOM 0 H GLU A 46 3.695 -1.696 3.666 1.00 0.00 H new ATOM 0 HA GLU A 46 4.544 -3.908 2.133 1.00 0.00 H new ATOM 0 HB2 GLU A 46 5.593 -2.690 4.197 1.00 0.00 H new ATOM 0 HB3 GLU A 46 4.596 -3.772 5.149 1.00 0.00 H new ATOM 0 HG2 GLU A 46 6.683 -4.854 5.000 1.00 0.00 H new ATOM 0 HG3 GLU A 46 5.661 -5.703 3.858 1.00 0.00 H new ATOM 768 N GLN A 47 2.012 -4.389 4.205 1.00 0.00 N ATOM 769 CA GLN A 47 0.932 -5.309 4.563 1.00 0.00 C ATOM 770 C GLN A 47 0.262 -5.872 3.312 1.00 0.00 C ATOM 771 O GLN A 47 0.144 -7.085 3.166 1.00 0.00 O ATOM 772 CB GLN A 47 -0.116 -4.599 5.430 1.00 0.00 C ATOM 773 CG GLN A 47 -0.407 -5.275 6.768 1.00 0.00 C ATOM 774 CD GLN A 47 -1.307 -6.507 6.677 1.00 0.00 C ATOM 775 OE1 GLN A 47 -2.082 -6.778 7.595 1.00 0.00 O ATOM 776 NE2 GLN A 47 -1.210 -7.269 5.598 1.00 0.00 N ATOM 0 H GLN A 47 1.948 -3.475 4.653 1.00 0.00 H new ATOM 0 HA GLN A 47 1.368 -6.131 5.130 1.00 0.00 H new ATOM 0 HB2 GLN A 47 0.221 -3.580 5.620 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -1.046 -4.528 4.865 1.00 0.00 H new ATOM 0 HG2 GLN A 47 0.538 -5.565 7.227 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -0.874 -4.549 7.433 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -0.559 -7.019 4.854 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -1.787 -8.106 5.511 1.00 0.00 H new ATOM 785 N ALA A 48 -0.161 -4.991 2.414 1.00 0.00 N ATOM 786 CA ALA A 48 -0.823 -5.415 1.184 1.00 0.00 C ATOM 787 C ALA A 48 0.098 -6.296 0.347 1.00 0.00 C ATOM 788 O ALA A 48 -0.348 -7.244 -0.301 1.00 0.00 O ATOM 789 CB ALA A 48 -1.272 -4.207 0.380 1.00 0.00 C ATOM 0 H ALA A 48 -0.058 -3.981 2.513 1.00 0.00 H new ATOM 0 HA ALA A 48 -1.701 -6.001 1.456 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -1.764 -4.540 -0.534 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -1.970 -3.615 0.972 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -0.405 -3.598 0.124 1.00 0.00 H new ATOM 795 N ARG A 49 1.389 -5.995 0.395 1.00 0.00 N ATOM 796 CA ARG A 49 2.380 -6.743 -0.362 1.00 0.00 C ATOM 797 C ARG A 49 2.578 -8.126 0.251 1.00 0.00 C ATOM 798 O ARG A 49 2.789 -9.113 -0.454 1.00 0.00 O ATOM 799 CB ARG A 49 3.693 -5.970 -0.375 1.00 0.00 C ATOM 800 CG ARG A 49 4.778 -6.604 -1.217 1.00 0.00 C ATOM 801 CD ARG A 49 6.056 -5.806 -1.100 1.00 0.00 C ATOM 802 NE ARG A 49 7.179 -6.447 -1.772 1.00 0.00 N ATOM 803 CZ ARG A 49 8.439 -6.342 -1.361 1.00 0.00 C ATOM 804 NH1 ARG A 49 8.716 -5.713 -0.222 1.00 0.00 N ATOM 805 NH2 ARG A 49 9.416 -6.886 -2.072 1.00 0.00 N ATOM 0 H ARG A 49 1.774 -5.234 0.954 1.00 0.00 H new ATOM 0 HA ARG A 49 2.032 -6.872 -1.387 1.00 0.00 H new ATOM 0 HB2 ARG A 49 3.504 -4.962 -0.744 1.00 0.00 H new ATOM 0 HB3 ARG A 49 4.054 -5.872 0.649 1.00 0.00 H new ATOM 0 HG2 ARG A 49 4.949 -7.630 -0.892 1.00 0.00 H new ATOM 0 HG3 ARG A 49 4.462 -6.649 -2.259 1.00 0.00 H new ATOM 0 HD2 ARG A 49 5.901 -4.814 -1.525 1.00 0.00 H new ATOM 0 HD3 ARG A 49 6.299 -5.667 -0.046 1.00 0.00 H new ATOM 0 HE ARG A 49 6.988 -7.007 -2.603 1.00 0.00 H new ATOM 0 HH11 ARG A 49 7.962 -5.312 0.335 1.00 0.00 H new ATOM 0 HH12 ARG A 49 9.682 -5.632 0.094 1.00 0.00 H new ATOM 0 HH21 ARG A 49 9.201 -7.386 -2.935 1.00 0.00 H new ATOM 0 HH22 ARG A 49 10.383 -6.805 -1.756 1.00 0.00 H new ATOM 819 N LEU A 50 2.508 -8.176 1.573 1.00 0.00 N ATOM 820 CA LEU A 50 2.598 -9.424 2.314 1.00 0.00 C ATOM 821 C LEU A 50 1.400 -10.306 1.971 1.00 0.00 C ATOM 822 O LEU A 50 1.540 -11.508 1.766 1.00 0.00 O ATOM 823 CB LEU A 50 2.631 -9.123 3.818 1.00 0.00 C ATOM 824 CG LEU A 50 3.448 -10.096 4.683 1.00 0.00 C ATOM 825 CD1 LEU A 50 2.851 -11.499 4.654 1.00 0.00 C ATOM 826 CD2 LEU A 50 4.901 -10.117 4.226 1.00 0.00 C ATOM 0 H LEU A 50 2.387 -7.352 2.162 1.00 0.00 H new ATOM 0 HA LEU A 50 3.512 -9.952 2.041 1.00 0.00 H new ATOM 0 HB2 LEU A 50 3.032 -8.119 3.959 1.00 0.00 H new ATOM 0 HB3 LEU A 50 1.606 -9.112 4.189 1.00 0.00 H new ATOM 0 HG LEU A 50 3.412 -9.744 5.714 1.00 0.00 H new ATOM 0 HD11 LEU A 50 3.452 -12.163 5.275 1.00 0.00 H new ATOM 0 HD12 LEU A 50 1.831 -11.468 5.037 1.00 0.00 H new ATOM 0 HD13 LEU A 50 2.843 -11.870 3.629 1.00 0.00 H new ATOM 0 HD21 LEU A 50 5.468 -10.810 4.847 1.00 0.00 H new ATOM 0 HD22 LEU A 50 4.951 -10.438 3.186 1.00 0.00 H new ATOM 0 HD23 LEU A 50 5.326 -9.117 4.318 1.00 0.00 H new ATOM 838 N GLU A 51 0.227 -9.682 1.896 1.00 0.00 N ATOM 839 CA GLU A 51 -1.007 -10.378 1.554 1.00 0.00 C ATOM 840 C GLU A 51 -0.850 -11.171 0.261 1.00 0.00 C ATOM 841 O GLU A 51 -1.010 -12.389 0.250 1.00 0.00 O ATOM 842 CB GLU A 51 -2.154 -9.380 1.398 1.00 0.00 C ATOM 843 CG GLU A 51 -2.491 -8.616 2.668 1.00 0.00 C ATOM 844 CD GLU A 51 -3.042 -9.506 3.762 1.00 0.00 C ATOM 845 OE1 GLU A 51 -4.191 -9.976 3.623 1.00 0.00 O ATOM 846 OE2 GLU A 51 -2.344 -9.718 4.771 1.00 0.00 O ATOM 0 H GLU A 51 0.107 -8.684 2.070 1.00 0.00 H new ATOM 0 HA GLU A 51 -1.233 -11.070 2.365 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -1.896 -8.666 0.615 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -3.043 -9.914 1.062 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -1.595 -8.113 3.032 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -3.220 -7.840 2.436 1.00 0.00 H new ATOM 853 N PHE A 52 -0.515 -10.478 -0.822 1.00 0.00 N ATOM 854 CA PHE A 52 -0.367 -11.121 -2.124 1.00 0.00 C ATOM 855 C PHE A 52 0.809 -12.092 -2.121 1.00 0.00 C ATOM 856 O PHE A 52 0.817 -13.075 -2.867 1.00 0.00 O ATOM 857 CB PHE A 52 -0.198 -10.077 -3.231 1.00 0.00 C ATOM 858 CG PHE A 52 -1.415 -9.218 -3.432 1.00 0.00 C ATOM 859 CD1 PHE A 52 -2.566 -9.744 -3.997 1.00 0.00 C ATOM 860 CD2 PHE A 52 -1.414 -7.888 -3.049 1.00 0.00 C ATOM 861 CE1 PHE A 52 -3.689 -8.960 -4.175 1.00 0.00 C ATOM 862 CE2 PHE A 52 -2.533 -7.099 -3.224 1.00 0.00 C ATOM 863 CZ PHE A 52 -3.672 -7.635 -3.788 1.00 0.00 C ATOM 0 H PHE A 52 -0.341 -9.473 -0.825 1.00 0.00 H new ATOM 0 HA PHE A 52 -1.277 -11.687 -2.323 1.00 0.00 H new ATOM 0 HB2 PHE A 52 0.653 -9.439 -2.992 1.00 0.00 H new ATOM 0 HB3 PHE A 52 0.038 -10.585 -4.166 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -2.585 -10.780 -4.302 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -0.526 -7.462 -2.607 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -4.579 -9.383 -4.616 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -2.517 -6.063 -2.920 1.00 0.00 H new ATOM 0 HZ PHE A 52 -4.549 -7.019 -3.927 1.00 0.00 H new ATOM 873 N GLY A 53 1.787 -11.828 -1.262 1.00 0.00 N ATOM 874 CA GLY A 53 2.914 -12.729 -1.113 1.00 0.00 C ATOM 875 C GLY A 53 2.514 -14.022 -0.425 1.00 0.00 C ATOM 876 O GLY A 53 3.231 -15.020 -0.491 1.00 0.00 O ATOM 0 H GLY A 53 1.819 -11.002 -0.664 1.00 0.00 H new ATOM 0 HA2 GLY A 53 3.332 -12.954 -2.094 1.00 0.00 H new ATOM 0 HA3 GLY A 53 3.698 -12.238 -0.537 1.00 0.00 H new ATOM 880 N GLN A 54 1.368 -13.990 0.239 1.00 0.00 N ATOM 881 CA GLN A 54 0.824 -15.161 0.913 1.00 0.00 C ATOM 882 C GLN A 54 -0.486 -15.600 0.273 1.00 0.00 C ATOM 883 O GLN A 54 -1.144 -16.518 0.757 1.00 0.00 O ATOM 884 CB GLN A 54 0.589 -14.856 2.393 1.00 0.00 C ATOM 885 CG GLN A 54 1.863 -14.784 3.215 1.00 0.00 C ATOM 886 CD GLN A 54 2.553 -16.127 3.323 1.00 0.00 C ATOM 887 OE1 GLN A 54 3.410 -16.471 2.506 1.00 0.00 O ATOM 888 NE2 GLN A 54 2.176 -16.899 4.331 1.00 0.00 N ATOM 0 H GLN A 54 0.790 -13.154 0.326 1.00 0.00 H new ATOM 0 HA GLN A 54 1.548 -15.970 0.817 1.00 0.00 H new ATOM 0 HB2 GLN A 54 0.059 -13.908 2.479 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -0.060 -15.624 2.814 1.00 0.00 H new ATOM 0 HG2 GLN A 54 2.544 -14.063 2.763 1.00 0.00 H new ATOM 0 HG3 GLN A 54 1.628 -14.417 4.214 1.00 0.00 H new ATOM 0 HE21 GLN A 54 1.463 -16.574 4.984 1.00 0.00 H new ATOM 0 HE22 GLN A 54 2.599 -17.819 4.455 1.00 0.00 H new ATOM 897 N LEU A 55 -0.873 -14.923 -0.798 1.00 0.00 N ATOM 898 CA LEU A 55 -2.131 -15.216 -1.477 1.00 0.00 C ATOM 899 C LEU A 55 -1.891 -15.815 -2.869 1.00 0.00 C ATOM 900 O LEU A 55 -2.602 -16.733 -3.280 1.00 0.00 O ATOM 901 CB LEU A 55 -2.967 -13.922 -1.554 1.00 0.00 C ATOM 902 CG LEU A 55 -4.400 -14.033 -2.105 1.00 0.00 C ATOM 903 CD1 LEU A 55 -4.408 -13.999 -3.625 1.00 0.00 C ATOM 904 CD2 LEU A 55 -5.086 -15.293 -1.591 1.00 0.00 C ATOM 0 H LEU A 55 -0.334 -14.165 -1.218 1.00 0.00 H new ATOM 0 HA LEU A 55 -2.681 -15.966 -0.909 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -3.024 -13.498 -0.551 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -2.424 -13.207 -2.172 1.00 0.00 H new ATOM 0 HG LEU A 55 -4.961 -13.170 -1.746 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -5.434 -14.079 -3.985 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -3.974 -13.060 -3.970 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -3.822 -14.833 -4.011 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -6.097 -15.347 -1.995 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -4.521 -16.170 -1.907 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -5.131 -15.264 -0.502 1.00 0.00 H new ATOM 916 N GLU A 56 -0.871 -15.313 -3.565 1.00 0.00 N ATOM 917 CA GLU A 56 -0.619 -15.668 -4.967 1.00 0.00 C ATOM 918 C GLU A 56 -1.858 -15.376 -5.814 1.00 0.00 C ATOM 919 O GLU A 56 -2.140 -14.226 -6.150 1.00 0.00 O ATOM 920 CB GLU A 56 -0.224 -17.149 -5.140 1.00 0.00 C ATOM 921 CG GLU A 56 1.028 -17.573 -4.391 1.00 0.00 C ATOM 922 CD GLU A 56 0.734 -18.081 -2.993 1.00 0.00 C ATOM 923 OE1 GLU A 56 0.152 -19.186 -2.864 1.00 0.00 O ATOM 924 OE2 GLU A 56 1.109 -17.403 -2.016 1.00 0.00 O ATOM 0 H GLU A 56 -0.198 -14.652 -3.178 1.00 0.00 H new ATOM 0 HA GLU A 56 0.220 -15.058 -5.301 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -1.055 -17.772 -4.809 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -0.079 -17.349 -6.202 1.00 0.00 H new ATOM 0 HG2 GLU A 56 1.537 -18.354 -4.956 1.00 0.00 H new ATOM 0 HG3 GLU A 56 1.712 -16.727 -4.329 1.00 0.00 H new ATOM 931 N HIS A 57 -2.588 -16.433 -6.150 1.00 0.00 N ATOM 932 CA HIS A 57 -3.867 -16.336 -6.850 1.00 0.00 C ATOM 933 C HIS A 57 -4.738 -17.501 -6.403 1.00 0.00 C ATOM 934 O HIS A 57 -5.872 -17.326 -5.958 1.00 0.00 O ATOM 935 CB HIS A 57 -3.702 -16.403 -8.379 1.00 0.00 C ATOM 936 CG HIS A 57 -2.794 -15.369 -8.977 1.00 0.00 C ATOM 937 ND1 HIS A 57 -3.244 -14.168 -9.476 1.00 0.00 N ATOM 938 CD2 HIS A 57 -1.458 -15.380 -9.177 1.00 0.00 C ATOM 939 CE1 HIS A 57 -2.224 -13.487 -9.959 1.00 0.00 C ATOM 940 NE2 HIS A 57 -1.122 -14.199 -9.791 1.00 0.00 N ATOM 0 H HIS A 57 -2.308 -17.392 -5.943 1.00 0.00 H new ATOM 0 HA HIS A 57 -4.318 -15.374 -6.608 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -3.323 -17.390 -8.643 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -4.686 -16.306 -8.838 1.00 0.00 H new ATOM 0 HD1 HIS A 57 -4.214 -13.854 -9.473 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -0.778 -16.173 -8.904 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -2.279 -12.510 -10.416 1.00 0.00 H new ATOM 949 N HIS A 58 -4.176 -18.692 -6.529 1.00 0.00 N ATOM 950 CA HIS A 58 -4.825 -19.921 -6.113 1.00 0.00 C ATOM 951 C HIS A 58 -3.788 -20.829 -5.466 1.00 0.00 C ATOM 952 O HIS A 58 -2.843 -21.258 -6.125 1.00 0.00 O ATOM 953 CB HIS A 58 -5.455 -20.614 -7.327 1.00 0.00 C ATOM 954 CG HIS A 58 -6.223 -21.863 -7.011 1.00 0.00 C ATOM 955 ND1 HIS A 58 -7.534 -21.851 -6.598 1.00 0.00 N ATOM 956 CD2 HIS A 58 -5.869 -23.167 -7.086 1.00 0.00 C ATOM 957 CE1 HIS A 58 -7.954 -23.090 -6.434 1.00 0.00 C ATOM 958 NE2 HIS A 58 -6.965 -23.913 -6.725 1.00 0.00 N ATOM 0 H HIS A 58 -3.247 -18.832 -6.927 1.00 0.00 H new ATOM 0 HA HIS A 58 -5.614 -19.700 -5.394 1.00 0.00 H new ATOM 0 HB2 HIS A 58 -6.123 -19.910 -7.823 1.00 0.00 H new ATOM 0 HB3 HIS A 58 -4.666 -20.860 -8.037 1.00 0.00 H new ATOM 0 HD2 HIS A 58 -4.902 -23.551 -7.376 1.00 0.00 H new ATOM 0 HE1 HIS A 58 -8.943 -23.382 -6.115 1.00 0.00 H new ATOM 0 HE2 HIS A 58 -7.007 -24.931 -6.688 1.00 0.00 H new ATOM 967 N HIS A 59 -3.953 -21.102 -4.180 1.00 0.00 N ATOM 968 CA HIS A 59 -2.985 -21.919 -3.458 1.00 0.00 C ATOM 969 C HIS A 59 -2.961 -23.332 -4.021 1.00 0.00 C ATOM 970 O HIS A 59 -3.973 -24.038 -3.996 1.00 0.00 O ATOM 971 CB HIS A 59 -3.294 -21.967 -1.957 1.00 0.00 C ATOM 972 CG HIS A 59 -3.220 -20.635 -1.278 1.00 0.00 C ATOM 973 ND1 HIS A 59 -2.176 -19.750 -1.448 1.00 0.00 N ATOM 974 CD2 HIS A 59 -4.080 -20.037 -0.418 1.00 0.00 C ATOM 975 CE1 HIS A 59 -2.397 -18.674 -0.722 1.00 0.00 C ATOM 976 NE2 HIS A 59 -3.543 -18.820 -0.090 1.00 0.00 N ATOM 0 H HIS A 59 -4.739 -20.774 -3.619 1.00 0.00 H new ATOM 0 HA HIS A 59 -2.006 -21.458 -3.589 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -4.292 -22.381 -1.815 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -2.594 -22.649 -1.474 1.00 0.00 H new ATOM 0 HD1 HIS A 59 -1.361 -19.905 -2.042 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -5.014 -20.444 -0.059 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -1.746 -17.814 -0.656 1.00 0.00 H new ATOM 985 N HIS A 60 -1.809 -23.731 -4.542 1.00 0.00 N ATOM 986 CA HIS A 60 -1.660 -25.051 -5.135 1.00 0.00 C ATOM 987 C HIS A 60 -1.815 -26.124 -4.067 1.00 0.00 C ATOM 988 O HIS A 60 -1.163 -26.077 -3.020 1.00 0.00 O ATOM 989 CB HIS A 60 -0.303 -25.188 -5.829 1.00 0.00 C ATOM 990 CG HIS A 60 -0.169 -26.444 -6.639 1.00 0.00 C ATOM 991 ND1 HIS A 60 0.435 -27.591 -6.170 1.00 0.00 N ATOM 992 CD2 HIS A 60 -0.575 -26.726 -7.898 1.00 0.00 C ATOM 993 CE1 HIS A 60 0.394 -28.519 -7.105 1.00 0.00 C ATOM 994 NE2 HIS A 60 -0.213 -28.020 -8.163 1.00 0.00 N ATOM 0 H HIS A 60 -0.965 -23.159 -4.566 1.00 0.00 H new ATOM 0 HA HIS A 60 -2.440 -25.180 -5.885 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -0.148 -24.327 -6.480 1.00 0.00 H new ATOM 0 HB3 HIS A 60 0.485 -25.165 -5.076 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -1.089 -26.055 -8.570 1.00 0.00 H new ATOM 0 HE1 HIS A 60 0.791 -29.520 -7.019 1.00 0.00 H new ATOM 0 HE2 HIS A 60 -0.385 -28.517 -9.037 1.00 0.00 H new ATOM 1003 N HIS A 61 -2.683 -27.082 -4.332 1.00 0.00 N ATOM 1004 CA HIS A 61 -2.950 -28.153 -3.388 1.00 0.00 C ATOM 1005 C HIS A 61 -2.228 -29.417 -3.813 1.00 0.00 C ATOM 1006 O HIS A 61 -1.837 -29.558 -4.971 1.00 0.00 O ATOM 1007 CB HIS A 61 -4.452 -28.424 -3.290 1.00 0.00 C ATOM 1008 CG HIS A 61 -5.244 -27.249 -2.811 1.00 0.00 C ATOM 1009 ND1 HIS A 61 -6.288 -26.710 -3.528 1.00 0.00 N ATOM 1010 CD2 HIS A 61 -5.151 -26.517 -1.678 1.00 0.00 C ATOM 1011 CE1 HIS A 61 -6.803 -25.698 -2.857 1.00 0.00 C ATOM 1012 NE2 HIS A 61 -6.131 -25.561 -1.732 1.00 0.00 N ATOM 0 H HIS A 61 -3.218 -27.141 -5.198 1.00 0.00 H new ATOM 0 HA HIS A 61 -2.586 -27.844 -2.408 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -4.823 -28.726 -4.270 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -4.618 -29.263 -2.614 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -4.438 -26.659 -0.880 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -7.634 -25.086 -3.175 1.00 0.00 H new ATOM 0 HE2 HIS A 61 -6.311 -24.857 -1.017 1.00 0.00 H new ATOM 1021 N HIS A 62 -2.049 -30.334 -2.879 1.00 0.00 N ATOM 1022 CA HIS A 62 -1.395 -31.593 -3.181 1.00 0.00 C ATOM 1023 C HIS A 62 -2.430 -32.709 -3.268 1.00 0.00 C ATOM 1024 O HIS A 62 -2.532 -33.330 -4.345 1.00 0.00 O ATOM 1025 CB HIS A 62 -0.293 -31.921 -2.155 1.00 0.00 C ATOM 1026 CG HIS A 62 -0.742 -31.956 -0.722 1.00 0.00 C ATOM 1027 ND1 HIS A 62 -0.786 -30.834 0.077 1.00 0.00 N ATOM 1028 CD2 HIS A 62 -1.152 -32.986 0.059 1.00 0.00 C ATOM 1029 CE1 HIS A 62 -1.200 -31.171 1.283 1.00 0.00 C ATOM 1030 NE2 HIS A 62 -1.431 -32.469 1.301 1.00 0.00 N ATOM 1031 OXT HIS A 62 -3.169 -32.922 -2.283 1.00 0.00 O ATOM 0 H HIS A 62 -2.346 -30.231 -1.909 1.00 0.00 H new ATOM 0 HA HIS A 62 -0.903 -31.502 -4.150 1.00 0.00 H new ATOM 0 HB2 HIS A 62 0.139 -32.889 -2.407 1.00 0.00 H new ATOM 0 HB3 HIS A 62 0.502 -31.182 -2.252 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -1.242 -34.020 -0.240 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -1.328 -30.496 2.117 1.00 0.00 H new ATOM 0 HE2 HIS A 62 -1.762 -33.002 2.105 1.00 0.00 H new TER 1040 HIS A 62