USER MOD reduce.3.24.130724 H: found=0, std=0, add=778, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 776 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 88 HIS : no HD1:sc= -0.0863 K(o=-0.66,f=-0.015) USER MOD Set 1.2: A 90 HIS : no HD1:sc= -0.575 K(o=-0.66,f=-0.015) USER MOD Set 2.1: A 73 LYS NZ :NH3+ -139:sc= 0.194 (180deg=0) USER MOD Set 2.2: A 74 SER OG : rot 180:sc= 0.217 USER MOD Set 3.1: A 69 SER OG : rot 180:sc= 0.118 USER MOD Set 3.2: A 71 SER OG : rot -50:sc= 0.124 USER MOD Set 4.1: A 54 LYS NZ :NH3+ 150:sc= 0.883 (180deg=-0.451) USER MOD Set 4.2: A 55 ASN : amide:sc= 0.773 K(o=1.7,f=-11!) USER MOD Set 5.1: A 44 TYR OH : rot 8:sc= 0.218 USER MOD Set 5.2: A 46 ASN : amide:sc= 0.141 K(o=0.36,f=-2.3!) USER MOD Single : A 1 GLN : amide:sc= 0.198 K(o=0.2,f=-4.3!) USER MOD Single : A 1 GLN N :NH3+ 145:sc= 0.721 (180deg=0.203) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 HIS : no HD1:sc= -0.438 X(o=-0.44,f=-0.058) USER MOD Single : A 11 ASN : amide:sc= -0.0208 X(o=-0.021,f=0) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 TYR OH : rot 92:sc= 0.586 USER MOD Single : A 30 HIS : no HD1:sc= -0.0644 X(o=-0.064,f=-0.23) USER MOD Single : A 31 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00344) USER MOD Single : A 33 THR OG1 : rot 86:sc= 1.25 USER MOD Single : A 34 THR OG1 : rot 75:sc= 1.11 USER MOD Single : A 38 GLN : amide:sc= -1.14 K(o=-1.1,f=-2.9!) USER MOD Single : A 43 HIS : no HD1:sc= -0.105 X(o=-0.1,f=-0.0091) USER MOD Single : A 45 MET CE :methyl -127:sc= -0.267 (180deg=-1.52!) USER MOD Single : A 47 ASN : amide:sc= -0.11 X(o=-0.11,f=-0.11) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 56 GLN : amide:sc= -0.244 K(o=-0.24,f=-1.7!) USER MOD Single : A 61 LYS NZ :NH3+ 153:sc= -0.401 (180deg=-1.42!) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 72 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 GLN : amide:sc= -0.238 X(o=-0.24,f=-0.25) USER MOD Single : A 85 ASN : amide:sc= -0.157 X(o=-0.16,f=-0.014) USER MOD Single : A 89 HIS : no HD1:sc= 0 X(o=0,f=-0.081) USER MOD Single : A 91 HIS : no HD1:sc= -0.278 K(o=-0.28,f=-0.79) USER MOD Single : A 92 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 93 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 8.585 -20.203 2.799 1.00 0.00 N ATOM 2 CA GLN A 1 7.199 -20.687 2.551 1.00 0.00 C ATOM 3 C GLN A 1 6.354 -19.616 1.863 1.00 0.00 C ATOM 4 O GLN A 1 6.824 -18.502 1.618 1.00 0.00 O ATOM 5 CB GLN A 1 6.566 -21.083 3.893 1.00 0.00 C ATOM 6 CG GLN A 1 7.052 -22.424 4.420 1.00 0.00 C ATOM 7 CD GLN A 1 8.097 -22.275 5.510 1.00 0.00 C ATOM 8 OE1 GLN A 1 9.149 -21.676 5.295 1.00 0.00 O ATOM 9 NE2 GLN A 1 7.811 -22.821 6.687 1.00 0.00 N ATOM 0 H1 GLN A 1 8.936 -20.598 3.695 1.00 0.00 H new ATOM 0 H2 GLN A 1 9.204 -20.508 2.021 1.00 0.00 H new ATOM 0 H3 GLN A 1 8.585 -19.165 2.855 1.00 0.00 H new ATOM 0 HA GLN A 1 7.238 -21.551 1.887 1.00 0.00 H new ATOM 0 HB2 GLN A 1 6.784 -20.311 4.631 1.00 0.00 H new ATOM 0 HB3 GLN A 1 5.483 -21.117 3.779 1.00 0.00 H new ATOM 0 HG2 GLN A 1 6.204 -22.987 4.809 1.00 0.00 H new ATOM 0 HG3 GLN A 1 7.470 -23.004 3.597 1.00 0.00 H new ATOM 0 HE21 GLN A 1 6.925 -23.309 6.821 1.00 0.00 H new ATOM 0 HE22 GLN A 1 8.477 -22.752 7.457 1.00 0.00 H new ATOM 18 N SER A 2 5.107 -19.963 1.558 1.00 0.00 N ATOM 19 CA SER A 2 4.188 -19.040 0.906 1.00 0.00 C ATOM 20 C SER A 2 3.417 -18.220 1.942 1.00 0.00 C ATOM 21 O SER A 2 3.561 -18.441 3.147 1.00 0.00 O ATOM 22 CB SER A 2 3.218 -19.810 0.007 1.00 0.00 C ATOM 23 OG SER A 2 3.920 -20.587 -0.947 1.00 0.00 O ATOM 0 H SER A 2 4.710 -20.882 1.754 1.00 0.00 H new ATOM 0 HA SER A 2 4.768 -18.352 0.291 1.00 0.00 H new ATOM 0 HB2 SER A 2 2.588 -20.458 0.616 1.00 0.00 H new ATOM 0 HB3 SER A 2 2.556 -19.110 -0.504 1.00 0.00 H new ATOM 0 HG SER A 2 3.280 -21.072 -1.509 1.00 0.00 H new ATOM 29 N ASP A 3 2.606 -17.274 1.459 1.00 0.00 N ATOM 30 CA ASP A 3 1.806 -16.401 2.324 1.00 0.00 C ATOM 31 C ASP A 3 2.694 -15.383 3.040 1.00 0.00 C ATOM 32 O ASP A 3 3.679 -15.750 3.682 1.00 0.00 O ATOM 33 CB ASP A 3 1.002 -17.213 3.349 1.00 0.00 C ATOM 34 CG ASP A 3 0.179 -18.319 2.709 1.00 0.00 C ATOM 35 OD1 ASP A 3 -0.466 -18.060 1.670 1.00 0.00 O ATOM 36 OD2 ASP A 3 0.177 -19.443 3.250 1.00 0.00 O ATOM 0 H ASP A 3 2.486 -17.092 0.463 1.00 0.00 H new ATOM 0 HA ASP A 3 1.102 -15.866 1.686 1.00 0.00 H new ATOM 0 HB2 ASP A 3 1.686 -17.650 4.077 1.00 0.00 H new ATOM 0 HB3 ASP A 3 0.339 -16.543 3.897 1.00 0.00 H new ATOM 41 N VAL A 4 2.345 -14.102 2.912 1.00 0.00 N ATOM 42 CA VAL A 4 3.118 -13.028 3.538 1.00 0.00 C ATOM 43 C VAL A 4 2.210 -12.015 4.240 1.00 0.00 C ATOM 44 O VAL A 4 1.095 -11.748 3.787 1.00 0.00 O ATOM 45 CB VAL A 4 3.992 -12.288 2.497 1.00 0.00 C ATOM 46 CG1 VAL A 4 4.942 -11.315 3.181 1.00 0.00 C ATOM 47 CG2 VAL A 4 4.771 -13.280 1.647 1.00 0.00 C ATOM 0 H VAL A 4 1.534 -13.783 2.382 1.00 0.00 H new ATOM 0 HA VAL A 4 3.762 -13.498 4.281 1.00 0.00 H new ATOM 0 HB VAL A 4 3.330 -11.719 1.845 1.00 0.00 H new ATOM 0 HG11 VAL A 4 5.546 -10.807 2.429 1.00 0.00 H new ATOM 0 HG12 VAL A 4 4.367 -10.579 3.743 1.00 0.00 H new ATOM 0 HG13 VAL A 4 5.595 -11.862 3.862 1.00 0.00 H new ATOM 0 HG21 VAL A 4 5.379 -12.739 0.922 1.00 0.00 H new ATOM 0 HG22 VAL A 4 5.418 -13.879 2.288 1.00 0.00 H new ATOM 0 HG23 VAL A 4 4.075 -13.934 1.121 1.00 0.00 H new ATOM 57 N ARG A 5 2.707 -11.449 5.343 1.00 0.00 N ATOM 58 CA ARG A 5 1.954 -10.458 6.115 1.00 0.00 C ATOM 59 C ARG A 5 2.306 -9.037 5.673 1.00 0.00 C ATOM 60 O ARG A 5 3.483 -8.694 5.533 1.00 0.00 O ATOM 61 CB ARG A 5 2.235 -10.618 7.613 1.00 0.00 C ATOM 62 CG ARG A 5 0.993 -10.916 8.438 1.00 0.00 C ATOM 63 CD ARG A 5 0.905 -12.390 8.796 1.00 0.00 C ATOM 64 NE ARG A 5 -0.224 -12.675 9.682 1.00 0.00 N ATOM 65 CZ ARG A 5 -0.392 -13.830 10.334 1.00 0.00 C ATOM 66 NH1 ARG A 5 0.488 -14.820 10.198 1.00 0.00 N ATOM 67 NH2 ARG A 5 -1.446 -13.995 11.126 1.00 0.00 N ATOM 0 H ARG A 5 3.630 -11.661 5.722 1.00 0.00 H new ATOM 0 HA ARG A 5 0.893 -10.627 5.930 1.00 0.00 H new ATOM 0 HB2 ARG A 5 2.957 -11.423 7.755 1.00 0.00 H new ATOM 0 HB3 ARG A 5 2.698 -9.705 7.987 1.00 0.00 H new ATOM 0 HG2 ARG A 5 1.008 -10.319 9.350 1.00 0.00 H new ATOM 0 HG3 ARG A 5 0.104 -10.622 7.879 1.00 0.00 H new ATOM 0 HD2 ARG A 5 0.807 -12.979 7.884 1.00 0.00 H new ATOM 0 HD3 ARG A 5 1.831 -12.701 9.279 1.00 0.00 H new ATOM 0 HE ARG A 5 -0.927 -11.947 9.810 1.00 0.00 H new ATOM 0 HH11 ARG A 5 1.300 -14.701 9.592 1.00 0.00 H new ATOM 0 HH12 ARG A 5 0.350 -15.697 10.700 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -2.125 -13.241 11.235 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -1.576 -14.875 11.625 1.00 0.00 H new ATOM 81 N ILE A 6 1.278 -8.215 5.462 1.00 0.00 N ATOM 82 CA ILE A 6 1.470 -6.830 5.040 1.00 0.00 C ATOM 83 C ILE A 6 0.992 -5.859 6.120 1.00 0.00 C ATOM 84 O ILE A 6 -0.075 -6.051 6.710 1.00 0.00 O ATOM 85 CB ILE A 6 0.719 -6.530 3.721 1.00 0.00 C ATOM 86 CG1 ILE A 6 1.017 -7.612 2.675 1.00 0.00 C ATOM 87 CG2 ILE A 6 1.101 -5.153 3.189 1.00 0.00 C ATOM 88 CD1 ILE A 6 0.099 -7.561 1.473 1.00 0.00 C ATOM 0 H ILE A 6 0.302 -8.487 5.577 1.00 0.00 H new ATOM 0 HA ILE A 6 2.539 -6.693 4.876 1.00 0.00 H new ATOM 0 HB ILE A 6 -0.352 -6.534 3.926 1.00 0.00 H new ATOM 0 HG12 ILE A 6 2.048 -7.506 2.339 1.00 0.00 H new ATOM 0 HG13 ILE A 6 0.933 -8.592 3.144 1.00 0.00 H new ATOM 0 HG21 ILE A 6 0.563 -4.959 2.261 1.00 0.00 H new ATOM 0 HG22 ILE A 6 0.839 -4.393 3.925 1.00 0.00 H new ATOM 0 HG23 ILE A 6 2.174 -5.121 3.000 1.00 0.00 H new ATOM 0 HD11 ILE A 6 0.368 -8.354 0.776 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -0.933 -7.697 1.797 1.00 0.00 H new ATOM 0 HD13 ILE A 6 0.200 -6.595 0.979 1.00 0.00 H new ATOM 100 N LYS A 7 1.785 -4.818 6.371 1.00 0.00 N ATOM 101 CA LYS A 7 1.442 -3.816 7.377 1.00 0.00 C ATOM 102 C LYS A 7 1.041 -2.500 6.715 1.00 0.00 C ATOM 103 O LYS A 7 1.816 -1.915 5.954 1.00 0.00 O ATOM 104 CB LYS A 7 2.619 -3.589 8.333 1.00 0.00 C ATOM 105 CG LYS A 7 2.356 -4.081 9.749 1.00 0.00 C ATOM 106 CD LYS A 7 2.976 -3.155 10.785 1.00 0.00 C ATOM 107 CE LYS A 7 2.284 -3.283 12.134 1.00 0.00 C ATOM 108 NZ LYS A 7 3.233 -3.111 13.269 1.00 0.00 N ATOM 0 H LYS A 7 2.669 -4.647 5.891 1.00 0.00 H new ATOM 0 HA LYS A 7 0.593 -4.188 7.950 1.00 0.00 H new ATOM 0 HB2 LYS A 7 3.500 -4.096 7.939 1.00 0.00 H new ATOM 0 HB3 LYS A 7 2.851 -2.524 8.364 1.00 0.00 H new ATOM 0 HG2 LYS A 7 1.281 -4.150 9.918 1.00 0.00 H new ATOM 0 HG3 LYS A 7 2.762 -5.085 9.868 1.00 0.00 H new ATOM 0 HD2 LYS A 7 4.035 -3.388 10.895 1.00 0.00 H new ATOM 0 HD3 LYS A 7 2.911 -2.124 10.438 1.00 0.00 H new ATOM 0 HE2 LYS A 7 1.493 -2.537 12.207 1.00 0.00 H new ATOM 0 HE3 LYS A 7 1.808 -4.261 12.205 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 2.719 -3.206 14.168 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 3.974 -3.839 13.215 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 3.669 -2.168 13.217 1.00 0.00 H new ATOM 122 N PHE A 8 -0.174 -2.040 7.015 1.00 0.00 N ATOM 123 CA PHE A 8 -0.688 -0.791 6.455 1.00 0.00 C ATOM 124 C PHE A 8 -0.939 0.236 7.556 1.00 0.00 C ATOM 125 O PHE A 8 -1.427 -0.106 8.637 1.00 0.00 O ATOM 126 CB PHE A 8 -1.982 -1.050 5.677 1.00 0.00 C ATOM 127 CG PHE A 8 -1.782 -1.860 4.426 1.00 0.00 C ATOM 128 CD1 PHE A 8 -1.148 -1.311 3.322 1.00 0.00 C ATOM 129 CD2 PHE A 8 -2.227 -3.171 4.354 1.00 0.00 C ATOM 130 CE1 PHE A 8 -0.963 -2.053 2.171 1.00 0.00 C ATOM 131 CE2 PHE A 8 -2.043 -3.918 3.207 1.00 0.00 C ATOM 132 CZ PHE A 8 -1.411 -3.358 2.114 1.00 0.00 C ATOM 0 H PHE A 8 -0.821 -2.515 7.644 1.00 0.00 H new ATOM 0 HA PHE A 8 0.063 -0.391 5.774 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -2.688 -1.568 6.326 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -2.434 -0.094 5.412 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -0.794 -0.291 3.362 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -2.723 -3.613 5.205 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -0.469 -1.613 1.317 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -2.393 -4.939 3.165 1.00 0.00 H new ATOM 0 HZ PHE A 8 -1.267 -3.940 1.216 1.00 0.00 H new ATOM 142 N GLU A 9 -0.602 1.495 7.275 1.00 0.00 N ATOM 143 CA GLU A 9 -0.786 2.575 8.241 1.00 0.00 C ATOM 144 C GLU A 9 -1.734 3.643 7.698 1.00 0.00 C ATOM 145 O GLU A 9 -1.580 4.108 6.567 1.00 0.00 O ATOM 146 CB GLU A 9 0.565 3.202 8.597 1.00 0.00 C ATOM 147 CG GLU A 9 1.266 2.511 9.759 1.00 0.00 C ATOM 148 CD GLU A 9 2.707 2.134 9.450 1.00 0.00 C ATOM 149 OE1 GLU A 9 2.963 1.593 8.353 1.00 0.00 O ATOM 150 OE2 GLU A 9 3.579 2.380 10.310 1.00 0.00 O ATOM 0 H GLU A 9 -0.200 1.791 6.385 1.00 0.00 H new ATOM 0 HA GLU A 9 -1.231 2.151 9.141 1.00 0.00 H new ATOM 0 HB2 GLU A 9 1.213 3.171 7.721 1.00 0.00 H new ATOM 0 HB3 GLU A 9 0.415 4.253 8.846 1.00 0.00 H new ATOM 0 HG2 GLU A 9 1.247 3.168 10.629 1.00 0.00 H new ATOM 0 HG3 GLU A 9 0.711 1.612 10.027 1.00 0.00 H new ATOM 157 N HIS A 10 -2.712 4.026 8.518 1.00 0.00 N ATOM 158 CA HIS A 10 -3.691 5.040 8.135 1.00 0.00 C ATOM 159 C HIS A 10 -3.923 6.025 9.280 1.00 0.00 C ATOM 160 O HIS A 10 -4.435 5.649 10.336 1.00 0.00 O ATOM 161 CB HIS A 10 -5.012 4.372 7.742 1.00 0.00 C ATOM 162 CG HIS A 10 -5.934 5.257 6.962 1.00 0.00 C ATOM 163 ND1 HIS A 10 -7.305 5.213 7.096 1.00 0.00 N ATOM 164 CD2 HIS A 10 -5.678 6.209 6.033 1.00 0.00 C ATOM 165 CE1 HIS A 10 -7.854 6.095 6.281 1.00 0.00 C ATOM 166 NE2 HIS A 10 -6.889 6.714 5.626 1.00 0.00 N ATOM 0 H HIS A 10 -2.847 3.647 9.455 1.00 0.00 H new ATOM 0 HA HIS A 10 -3.301 5.591 7.279 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -4.795 3.481 7.153 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -5.522 4.040 8.646 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -4.704 6.514 5.679 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -8.912 6.279 6.169 1.00 0.00 H new ATOM 0 HE2 HIS A 10 -7.021 7.448 4.930 1.00 0.00 H new ATOM 175 N ASN A 11 -3.541 7.286 9.061 1.00 0.00 N ATOM 176 CA ASN A 11 -3.701 8.337 10.071 1.00 0.00 C ATOM 177 C ASN A 11 -2.976 7.972 11.371 1.00 0.00 C ATOM 178 O ASN A 11 -3.445 8.289 12.465 1.00 0.00 O ATOM 179 CB ASN A 11 -5.189 8.590 10.349 1.00 0.00 C ATOM 180 CG ASN A 11 -5.793 9.608 9.398 1.00 0.00 C ATOM 181 OD1 ASN A 11 -6.269 10.660 9.820 1.00 0.00 O ATOM 182 ND2 ASN A 11 -5.781 9.297 8.104 1.00 0.00 N ATOM 0 H ASN A 11 -3.117 7.605 8.190 1.00 0.00 H new ATOM 0 HA ASN A 11 -3.253 9.250 9.678 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -5.736 7.651 10.266 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -5.310 8.939 11.374 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -6.177 9.943 7.421 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -5.376 8.413 7.796 1.00 0.00 H new ATOM 189 N GLY A 12 -1.829 7.296 11.244 1.00 0.00 N ATOM 190 CA GLY A 12 -1.064 6.895 12.415 1.00 0.00 C ATOM 191 C GLY A 12 -1.368 5.473 12.866 1.00 0.00 C ATOM 192 O GLY A 12 -0.477 4.762 13.336 1.00 0.00 O ATOM 0 H GLY A 12 -1.419 7.021 10.351 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -0.000 6.980 12.194 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -1.276 7.583 13.234 1.00 0.00 H new ATOM 196 N GLU A 13 -2.629 5.060 12.720 1.00 0.00 N ATOM 197 CA GLU A 13 -3.058 3.716 13.114 1.00 0.00 C ATOM 198 C GLU A 13 -2.385 2.647 12.251 1.00 0.00 C ATOM 199 O GLU A 13 -2.059 2.893 11.087 1.00 0.00 O ATOM 200 CB GLU A 13 -4.581 3.593 12.998 1.00 0.00 C ATOM 201 CG GLU A 13 -5.255 3.052 14.251 1.00 0.00 C ATOM 202 CD GLU A 13 -6.427 2.137 13.940 1.00 0.00 C ATOM 203 OE1 GLU A 13 -7.235 2.483 13.050 1.00 0.00 O ATOM 204 OE2 GLU A 13 -6.539 1.076 14.587 1.00 0.00 O ATOM 0 H GLU A 13 -3.373 5.639 12.331 1.00 0.00 H new ATOM 0 HA GLU A 13 -2.760 3.558 14.151 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -4.998 4.573 12.768 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -4.820 2.940 12.159 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -4.522 2.507 14.846 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -5.603 3.886 14.860 1.00 0.00 H new ATOM 211 N ARG A 14 -2.183 1.461 12.830 1.00 0.00 N ATOM 212 CA ARG A 14 -1.551 0.351 12.117 1.00 0.00 C ATOM 213 C ARG A 14 -2.499 -0.844 12.001 1.00 0.00 C ATOM 214 O ARG A 14 -3.241 -1.154 12.935 1.00 0.00 O ATOM 215 CB ARG A 14 -0.253 -0.074 12.818 1.00 0.00 C ATOM 216 CG ARG A 14 -0.436 -0.491 14.270 1.00 0.00 C ATOM 217 CD ARG A 14 0.500 0.277 15.191 1.00 0.00 C ATOM 218 NE ARG A 14 0.200 0.043 16.603 1.00 0.00 N ATOM 219 CZ ARG A 14 0.647 0.813 17.601 1.00 0.00 C ATOM 220 NH1 ARG A 14 1.418 1.868 17.348 1.00 0.00 N ATOM 221 NH2 ARG A 14 0.321 0.523 18.856 1.00 0.00 N ATOM 0 H ARG A 14 -2.448 1.246 13.791 1.00 0.00 H new ATOM 0 HA ARG A 14 -1.312 0.698 11.112 1.00 0.00 H new ATOM 0 HB2 ARG A 14 0.190 -0.903 12.267 1.00 0.00 H new ATOM 0 HB3 ARG A 14 0.457 0.752 12.776 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -1.469 -0.318 14.572 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -0.250 -1.560 14.369 1.00 0.00 H new ATOM 0 HD2 ARG A 14 1.530 -0.016 14.987 1.00 0.00 H new ATOM 0 HD3 ARG A 14 0.424 1.343 14.977 1.00 0.00 H new ATOM 0 HE ARG A 14 -0.386 -0.757 16.841 1.00 0.00 H new ATOM 0 HH11 ARG A 14 1.673 2.095 16.387 1.00 0.00 H new ATOM 0 HH12 ARG A 14 1.754 2.450 18.115 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -0.269 -0.285 19.056 1.00 0.00 H new ATOM 0 HH22 ARG A 14 0.660 1.108 19.619 1.00 0.00 H new ATOM 235 N ARG A 15 -2.470 -1.509 10.844 1.00 0.00 N ATOM 236 CA ARG A 15 -3.324 -2.670 10.595 1.00 0.00 C ATOM 237 C ARG A 15 -2.505 -3.856 10.078 1.00 0.00 C ATOM 238 O ARG A 15 -1.504 -3.677 9.383 1.00 0.00 O ATOM 239 CB ARG A 15 -4.422 -2.312 9.589 1.00 0.00 C ATOM 240 CG ARG A 15 -5.418 -1.287 10.111 1.00 0.00 C ATOM 241 CD ARG A 15 -6.613 -1.141 9.181 1.00 0.00 C ATOM 242 NE ARG A 15 -7.486 -0.038 9.582 1.00 0.00 N ATOM 243 CZ ARG A 15 -8.363 -0.105 10.590 1.00 0.00 C ATOM 244 NH1 ARG A 15 -8.501 -1.228 11.291 1.00 0.00 N ATOM 245 NH2 ARG A 15 -9.105 0.955 10.894 1.00 0.00 N ATOM 0 H ARG A 15 -1.862 -1.262 10.063 1.00 0.00 H new ATOM 0 HA ARG A 15 -3.784 -2.960 11.539 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -3.959 -1.926 8.681 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -4.959 -3.219 9.312 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -5.762 -1.585 11.102 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -4.923 -0.322 10.222 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -6.262 -0.974 8.163 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -7.183 -2.070 9.174 1.00 0.00 H new ATOM 0 HE ARG A 15 -7.422 0.836 9.061 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -7.936 -2.045 11.061 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -9.172 -1.271 12.058 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -9.005 1.818 10.359 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -9.774 0.906 11.662 1.00 0.00 H new ATOM 259 N ILE A 16 -2.942 -5.069 10.428 1.00 0.00 N ATOM 260 CA ILE A 16 -2.254 -6.290 10.008 1.00 0.00 C ATOM 261 C ILE A 16 -3.135 -7.126 9.078 1.00 0.00 C ATOM 262 O ILE A 16 -4.274 -7.453 9.417 1.00 0.00 O ATOM 263 CB ILE A 16 -1.847 -7.154 11.223 1.00 0.00 C ATOM 264 CG1 ILE A 16 -1.117 -6.307 12.272 1.00 0.00 C ATOM 265 CG2 ILE A 16 -0.976 -8.325 10.783 1.00 0.00 C ATOM 266 CD1 ILE A 16 -1.118 -6.923 13.655 1.00 0.00 C ATOM 0 H ILE A 16 -3.770 -5.230 11.002 1.00 0.00 H new ATOM 0 HA ILE A 16 -1.356 -5.979 9.474 1.00 0.00 H new ATOM 0 HB ILE A 16 -2.755 -7.552 11.676 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -0.086 -6.156 11.951 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -1.583 -5.323 12.321 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -0.700 -8.921 11.653 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -1.530 -8.946 10.079 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -0.074 -7.947 10.302 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -0.584 -6.269 14.345 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -2.145 -7.049 13.996 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -0.625 -7.895 13.621 1.00 0.00 H new ATOM 278 N ILE A 17 -2.599 -7.470 7.906 1.00 0.00 N ATOM 279 CA ILE A 17 -3.333 -8.272 6.928 1.00 0.00 C ATOM 280 C ILE A 17 -2.420 -9.298 6.254 1.00 0.00 C ATOM 281 O ILE A 17 -1.297 -8.979 5.857 1.00 0.00 O ATOM 282 CB ILE A 17 -3.995 -7.379 5.850 1.00 0.00 C ATOM 283 CG1 ILE A 17 -4.861 -8.220 4.903 1.00 0.00 C ATOM 284 CG2 ILE A 17 -2.944 -6.605 5.068 1.00 0.00 C ATOM 285 CD1 ILE A 17 -6.081 -8.823 5.566 1.00 0.00 C ATOM 0 H ILE A 17 -1.659 -7.205 7.612 1.00 0.00 H new ATOM 0 HA ILE A 17 -4.115 -8.801 7.473 1.00 0.00 H new ATOM 0 HB ILE A 17 -4.640 -6.661 6.357 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -5.183 -7.596 4.069 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -4.253 -9.022 4.485 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -3.433 -5.985 4.317 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -2.377 -5.970 5.750 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -2.268 -7.304 4.577 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -6.643 -9.403 4.834 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -5.767 -9.474 6.382 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -6.712 -8.026 5.960 1.00 0.00 H new ATOM 297 N ALA A 18 -2.912 -10.531 6.130 1.00 0.00 N ATOM 298 CA ALA A 18 -2.146 -11.607 5.504 1.00 0.00 C ATOM 299 C ALA A 18 -2.617 -11.858 4.073 1.00 0.00 C ATOM 300 O ALA A 18 -3.816 -11.807 3.786 1.00 0.00 O ATOM 301 CB ALA A 18 -2.256 -12.882 6.330 1.00 0.00 C ATOM 0 H ALA A 18 -3.838 -10.809 6.455 1.00 0.00 H new ATOM 0 HA ALA A 18 -1.101 -11.301 5.465 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -1.681 -13.675 5.853 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -1.864 -12.702 7.331 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -3.302 -13.182 6.398 1.00 0.00 H new ATOM 307 N PHE A 19 -1.665 -12.130 3.182 1.00 0.00 N ATOM 308 CA PHE A 19 -1.971 -12.391 1.774 1.00 0.00 C ATOM 309 C PHE A 19 -1.364 -13.717 1.315 1.00 0.00 C ATOM 310 O PHE A 19 -0.356 -14.167 1.860 1.00 0.00 O ATOM 311 CB PHE A 19 -1.451 -11.249 0.899 1.00 0.00 C ATOM 312 CG PHE A 19 -2.445 -10.137 0.699 1.00 0.00 C ATOM 313 CD1 PHE A 19 -2.776 -9.287 1.744 1.00 0.00 C ATOM 314 CD2 PHE A 19 -3.048 -9.943 -0.533 1.00 0.00 C ATOM 315 CE1 PHE A 19 -3.688 -8.267 1.563 1.00 0.00 C ATOM 316 CE2 PHE A 19 -3.963 -8.924 -0.720 1.00 0.00 C ATOM 317 CZ PHE A 19 -4.283 -8.085 0.329 1.00 0.00 C ATOM 0 H PHE A 19 -0.672 -12.176 3.410 1.00 0.00 H new ATOM 0 HA PHE A 19 -3.054 -12.457 1.672 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -0.548 -10.839 1.351 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -1.167 -11.649 -0.074 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -2.315 -9.425 2.711 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -2.800 -10.596 -1.357 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -3.936 -7.612 2.385 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -4.427 -8.784 -1.685 1.00 0.00 H new ATOM 0 HZ PHE A 19 -4.997 -7.288 0.185 1.00 0.00 H new ATOM 327 N SER A 20 -1.986 -14.333 0.309 1.00 0.00 N ATOM 328 CA SER A 20 -1.510 -15.606 -0.229 1.00 0.00 C ATOM 329 C SER A 20 -0.615 -15.390 -1.450 1.00 0.00 C ATOM 330 O SER A 20 -0.867 -14.501 -2.266 1.00 0.00 O ATOM 331 CB SER A 20 -2.699 -16.498 -0.604 1.00 0.00 C ATOM 332 OG SER A 20 -2.267 -17.734 -1.145 1.00 0.00 O ATOM 0 H SER A 20 -2.822 -13.970 -0.150 1.00 0.00 H new ATOM 0 HA SER A 20 -0.919 -16.098 0.544 1.00 0.00 H new ATOM 0 HB2 SER A 20 -3.312 -16.680 0.279 1.00 0.00 H new ATOM 0 HB3 SER A 20 -3.329 -15.982 -1.329 1.00 0.00 H new ATOM 0 HG SER A 20 -3.047 -18.282 -1.373 1.00 0.00 H new ATOM 338 N ARG A 21 0.425 -16.215 -1.570 1.00 0.00 N ATOM 339 CA ARG A 21 1.355 -16.124 -2.693 1.00 0.00 C ATOM 340 C ARG A 21 0.986 -17.134 -3.782 1.00 0.00 C ATOM 341 O ARG A 21 0.590 -18.261 -3.479 1.00 0.00 O ATOM 342 CB ARG A 21 2.792 -16.366 -2.216 1.00 0.00 C ATOM 343 CG ARG A 21 3.824 -15.497 -2.919 1.00 0.00 C ATOM 344 CD ARG A 21 5.064 -15.286 -2.060 1.00 0.00 C ATOM 345 NE ARG A 21 5.184 -13.902 -1.598 1.00 0.00 N ATOM 346 CZ ARG A 21 6.320 -13.357 -1.153 1.00 0.00 C ATOM 347 NH1 ARG A 21 7.441 -14.073 -1.097 1.00 0.00 N ATOM 348 NH2 ARG A 21 6.335 -12.088 -0.758 1.00 0.00 N ATOM 0 H ARG A 21 0.644 -16.954 -0.902 1.00 0.00 H new ATOM 0 HA ARG A 21 1.287 -15.120 -3.113 1.00 0.00 H new ATOM 0 HB2 ARG A 21 2.845 -16.182 -1.143 1.00 0.00 H new ATOM 0 HB3 ARG A 21 3.046 -17.414 -2.372 1.00 0.00 H new ATOM 0 HG2 ARG A 21 4.110 -15.963 -3.862 1.00 0.00 H new ATOM 0 HG3 ARG A 21 3.381 -14.531 -3.162 1.00 0.00 H new ATOM 0 HD2 ARG A 21 5.026 -15.953 -1.199 1.00 0.00 H new ATOM 0 HD3 ARG A 21 5.952 -15.555 -2.633 1.00 0.00 H new ATOM 0 HE ARG A 21 4.348 -13.317 -1.617 1.00 0.00 H new ATOM 0 HH11 ARG A 21 7.439 -15.048 -1.396 1.00 0.00 H new ATOM 0 HH12 ARG A 21 8.302 -13.646 -0.756 1.00 0.00 H new ATOM 0 HH21 ARG A 21 5.480 -11.532 -0.795 1.00 0.00 H new ATOM 0 HH22 ARG A 21 7.201 -11.670 -0.418 1.00 0.00 H new ATOM 362 N PRO A 22 1.103 -16.746 -5.071 1.00 0.00 N ATOM 363 CA PRO A 22 1.566 -15.416 -5.484 1.00 0.00 C ATOM 364 C PRO A 22 0.512 -14.334 -5.271 1.00 0.00 C ATOM 365 O PRO A 22 -0.684 -14.575 -5.453 1.00 0.00 O ATOM 366 CB PRO A 22 1.860 -15.575 -6.987 1.00 0.00 C ATOM 367 CG PRO A 22 1.703 -17.032 -7.285 1.00 0.00 C ATOM 368 CD PRO A 22 0.790 -17.585 -6.232 1.00 0.00 C ATOM 0 HA PRO A 22 2.428 -15.099 -4.897 1.00 0.00 H new ATOM 0 HB2 PRO A 22 1.171 -14.978 -7.585 1.00 0.00 H new ATOM 0 HB3 PRO A 22 2.867 -15.234 -7.226 1.00 0.00 H new ATOM 0 HG2 PRO A 22 1.284 -17.182 -8.280 1.00 0.00 H new ATOM 0 HG3 PRO A 22 2.668 -17.538 -7.267 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -0.258 -17.505 -6.520 1.00 0.00 H new ATOM 0 HD3 PRO A 22 0.987 -18.639 -6.036 1.00 0.00 H new ATOM 376 N VAL A 23 0.965 -13.141 -4.891 1.00 0.00 N ATOM 377 CA VAL A 23 0.068 -12.014 -4.659 1.00 0.00 C ATOM 378 C VAL A 23 0.167 -10.994 -5.796 1.00 0.00 C ATOM 379 O VAL A 23 1.265 -10.630 -6.222 1.00 0.00 O ATOM 380 CB VAL A 23 0.364 -11.327 -3.304 1.00 0.00 C ATOM 381 CG1 VAL A 23 1.775 -10.753 -3.276 1.00 0.00 C ATOM 382 CG2 VAL A 23 -0.663 -10.242 -3.015 1.00 0.00 C ATOM 0 H VAL A 23 1.951 -12.931 -4.737 1.00 0.00 H new ATOM 0 HA VAL A 23 -0.948 -12.408 -4.628 1.00 0.00 H new ATOM 0 HB VAL A 23 0.294 -12.084 -2.523 1.00 0.00 H new ATOM 0 HG11 VAL A 23 1.955 -10.277 -2.312 1.00 0.00 H new ATOM 0 HG12 VAL A 23 2.497 -11.556 -3.424 1.00 0.00 H new ATOM 0 HG13 VAL A 23 1.884 -10.015 -4.071 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -0.436 -9.772 -2.058 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -0.631 -9.491 -3.805 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -1.658 -10.684 -2.975 1.00 0.00 H new ATOM 392 N LYS A 24 -0.987 -10.541 -6.282 1.00 0.00 N ATOM 393 CA LYS A 24 -1.036 -9.570 -7.373 1.00 0.00 C ATOM 394 C LYS A 24 -1.231 -8.155 -6.835 1.00 0.00 C ATOM 395 O LYS A 24 -1.966 -7.948 -5.868 1.00 0.00 O ATOM 396 CB LYS A 24 -2.168 -9.917 -8.344 1.00 0.00 C ATOM 397 CG LYS A 24 -1.754 -10.869 -9.454 1.00 0.00 C ATOM 398 CD LYS A 24 -1.635 -12.300 -8.951 1.00 0.00 C ATOM 399 CE LYS A 24 -0.418 -13.001 -9.536 1.00 0.00 C ATOM 400 NZ LYS A 24 -0.594 -14.481 -9.586 1.00 0.00 N ATOM 0 H LYS A 24 -1.902 -10.831 -5.937 1.00 0.00 H new ATOM 0 HA LYS A 24 -0.085 -9.611 -7.904 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -2.991 -10.362 -7.784 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -2.547 -8.997 -8.789 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -2.485 -10.826 -10.262 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -0.799 -10.549 -9.871 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -1.567 -12.299 -7.863 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -2.536 -12.854 -9.214 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -0.232 -12.624 -10.542 1.00 0.00 H new ATOM 0 HE3 LYS A 24 0.461 -12.761 -8.938 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 0.258 -14.918 -9.991 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -0.746 -14.845 -8.624 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -1.417 -14.713 -10.178 1.00 0.00 H new ATOM 414 N TYR A 25 -0.576 -7.183 -7.473 1.00 0.00 N ATOM 415 CA TYR A 25 -0.686 -5.783 -7.059 1.00 0.00 C ATOM 416 C TYR A 25 -2.133 -5.298 -7.148 1.00 0.00 C ATOM 417 O TYR A 25 -2.621 -4.622 -6.243 1.00 0.00 O ATOM 418 CB TYR A 25 0.215 -4.886 -7.918 1.00 0.00 C ATOM 419 CG TYR A 25 0.136 -3.419 -7.550 1.00 0.00 C ATOM 420 CD1 TYR A 25 0.516 -2.977 -6.287 1.00 0.00 C ATOM 421 CD2 TYR A 25 -0.328 -2.476 -8.460 1.00 0.00 C ATOM 422 CE1 TYR A 25 0.439 -1.642 -5.946 1.00 0.00 C ATOM 423 CE2 TYR A 25 -0.408 -1.139 -8.125 1.00 0.00 C ATOM 424 CZ TYR A 25 -0.024 -0.726 -6.867 1.00 0.00 C ATOM 425 OH TYR A 25 -0.107 0.603 -6.530 1.00 0.00 O ATOM 0 H TYR A 25 0.034 -7.339 -8.275 1.00 0.00 H new ATOM 0 HA TYR A 25 -0.359 -5.720 -6.021 1.00 0.00 H new ATOM 0 HB2 TYR A 25 1.247 -5.222 -7.820 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -0.061 -5.005 -8.966 1.00 0.00 H new ATOM 0 HD1 TYR A 25 0.877 -3.690 -5.561 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -0.631 -2.795 -9.446 1.00 0.00 H new ATOM 0 HE1 TYR A 25 0.740 -1.316 -4.961 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -0.770 -0.420 -8.845 1.00 0.00 H new ATOM 0 HH TYR A 25 0.724 1.057 -6.783 1.00 0.00 H new ATOM 435 N GLU A 26 -2.812 -5.649 -8.244 1.00 0.00 N ATOM 436 CA GLU A 26 -4.206 -5.248 -8.445 1.00 0.00 C ATOM 437 C GLU A 26 -5.097 -5.791 -7.329 1.00 0.00 C ATOM 438 O GLU A 26 -5.974 -5.088 -6.830 1.00 0.00 O ATOM 439 CB GLU A 26 -4.721 -5.733 -9.805 1.00 0.00 C ATOM 440 CG GLU A 26 -4.198 -4.923 -10.982 1.00 0.00 C ATOM 441 CD GLU A 26 -4.649 -3.475 -10.938 1.00 0.00 C ATOM 442 OE1 GLU A 26 -5.823 -3.207 -11.273 1.00 0.00 O ATOM 443 OE2 GLU A 26 -3.830 -2.609 -10.566 1.00 0.00 O ATOM 0 H GLU A 26 -2.420 -6.208 -9.002 1.00 0.00 H new ATOM 0 HA GLU A 26 -4.244 -4.159 -8.423 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -4.438 -6.777 -9.939 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -5.810 -5.696 -9.805 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -3.109 -4.961 -10.989 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -4.539 -5.378 -11.912 1.00 0.00 H new ATOM 450 N ASP A 27 -4.864 -7.047 -6.941 1.00 0.00 N ATOM 451 CA ASP A 27 -5.646 -7.681 -5.882 1.00 0.00 C ATOM 452 C ASP A 27 -5.443 -6.975 -4.543 1.00 0.00 C ATOM 453 O ASP A 27 -6.406 -6.722 -3.816 1.00 0.00 O ATOM 454 CB ASP A 27 -5.271 -9.160 -5.745 1.00 0.00 C ATOM 455 CG ASP A 27 -6.479 -10.075 -5.804 1.00 0.00 C ATOM 456 OD1 ASP A 27 -7.414 -9.882 -4.997 1.00 0.00 O ATOM 457 OD2 ASP A 27 -6.490 -10.986 -6.659 1.00 0.00 O ATOM 0 H ASP A 27 -4.141 -7.643 -7.345 1.00 0.00 H new ATOM 0 HA ASP A 27 -6.697 -7.601 -6.160 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -4.576 -9.430 -6.540 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -4.750 -9.313 -4.800 1.00 0.00 H new ATOM 462 N VAL A 28 -4.191 -6.657 -4.221 1.00 0.00 N ATOM 463 CA VAL A 28 -3.877 -5.978 -2.964 1.00 0.00 C ATOM 464 C VAL A 28 -4.439 -4.559 -2.960 1.00 0.00 C ATOM 465 O VAL A 28 -5.075 -4.140 -1.995 1.00 0.00 O ATOM 466 CB VAL A 28 -2.356 -5.921 -2.699 1.00 0.00 C ATOM 467 CG1 VAL A 28 -2.064 -5.341 -1.321 1.00 0.00 C ATOM 468 CG2 VAL A 28 -1.733 -7.302 -2.838 1.00 0.00 C ATOM 0 H VAL A 28 -3.381 -6.857 -4.808 1.00 0.00 H new ATOM 0 HA VAL A 28 -4.343 -6.561 -2.169 1.00 0.00 H new ATOM 0 HB VAL A 28 -1.910 -5.265 -3.446 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -0.986 -5.312 -1.159 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -2.468 -4.330 -1.259 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -2.529 -5.965 -0.558 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -0.662 -7.239 -2.647 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -2.190 -7.981 -2.119 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -1.900 -7.677 -3.848 1.00 0.00 H new ATOM 478 N GLU A 29 -4.201 -3.830 -4.052 1.00 0.00 N ATOM 479 CA GLU A 29 -4.684 -2.457 -4.181 1.00 0.00 C ATOM 480 C GLU A 29 -6.202 -2.391 -4.036 1.00 0.00 C ATOM 481 O GLU A 29 -6.725 -1.534 -3.324 1.00 0.00 O ATOM 482 CB GLU A 29 -4.263 -1.868 -5.532 1.00 0.00 C ATOM 483 CG GLU A 29 -4.595 -0.386 -5.678 1.00 0.00 C ATOM 484 CD GLU A 29 -5.931 -0.122 -6.359 1.00 0.00 C ATOM 485 OE1 GLU A 29 -6.547 -1.078 -6.883 1.00 0.00 O ATOM 486 OE2 GLU A 29 -6.364 1.049 -6.368 1.00 0.00 O ATOM 0 H GLU A 29 -3.677 -4.169 -4.859 1.00 0.00 H new ATOM 0 HA GLU A 29 -4.237 -1.869 -3.379 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -3.190 -2.007 -5.661 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -4.755 -2.423 -6.331 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -4.604 0.074 -4.690 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -3.804 0.100 -6.249 1.00 0.00 H new ATOM 493 N HIS A 30 -6.903 -3.299 -4.714 1.00 0.00 N ATOM 494 CA HIS A 30 -8.362 -3.341 -4.660 1.00 0.00 C ATOM 495 C HIS A 30 -8.855 -3.487 -3.222 1.00 0.00 C ATOM 496 O HIS A 30 -9.754 -2.764 -2.791 1.00 0.00 O ATOM 497 CB HIS A 30 -8.887 -4.496 -5.518 1.00 0.00 C ATOM 498 CG HIS A 30 -10.297 -4.315 -5.999 1.00 0.00 C ATOM 499 ND1 HIS A 30 -11.086 -3.228 -5.670 1.00 0.00 N ATOM 500 CD2 HIS A 30 -11.058 -5.099 -6.797 1.00 0.00 C ATOM 501 CE1 HIS A 30 -12.269 -3.357 -6.245 1.00 0.00 C ATOM 502 NE2 HIS A 30 -12.277 -4.483 -6.934 1.00 0.00 N ATOM 0 H HIS A 30 -6.483 -4.015 -5.307 1.00 0.00 H new ATOM 0 HA HIS A 30 -8.744 -2.400 -5.055 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -8.233 -4.618 -6.382 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -8.828 -5.419 -4.941 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -10.761 -6.036 -7.244 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -13.090 -2.660 -6.165 1.00 0.00 H new ATOM 0 HE2 HIS A 30 -13.062 -4.838 -7.480 1.00 0.00 H new ATOM 511 N LYS A 31 -8.258 -4.422 -2.483 1.00 0.00 N ATOM 512 CA LYS A 31 -8.635 -4.659 -1.093 1.00 0.00 C ATOM 513 C LYS A 31 -8.266 -3.467 -0.210 1.00 0.00 C ATOM 514 O LYS A 31 -9.094 -2.983 0.562 1.00 0.00 O ATOM 515 CB LYS A 31 -7.965 -5.932 -0.563 1.00 0.00 C ATOM 516 CG LYS A 31 -8.468 -6.354 0.812 1.00 0.00 C ATOM 517 CD LYS A 31 -8.355 -7.857 1.020 1.00 0.00 C ATOM 518 CE LYS A 31 -8.224 -8.205 2.496 1.00 0.00 C ATOM 519 NZ LYS A 31 -8.583 -9.624 2.769 1.00 0.00 N ATOM 0 H LYS A 31 -7.511 -5.027 -2.825 1.00 0.00 H new ATOM 0 HA LYS A 31 -9.717 -4.788 -1.060 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -8.136 -6.744 -1.269 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -6.888 -5.773 -0.514 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -7.896 -5.837 1.582 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -9.508 -6.048 0.928 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -9.234 -8.350 0.605 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -7.490 -8.237 0.477 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -7.200 -8.021 2.822 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -8.868 -7.549 3.082 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -8.497 -9.814 3.788 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -9.562 -9.799 2.466 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -7.941 -10.252 2.244 1.00 0.00 H new ATOM 533 N VAL A 32 -7.021 -3.001 -0.323 1.00 0.00 N ATOM 534 CA VAL A 32 -6.552 -1.866 0.477 1.00 0.00 C ATOM 535 C VAL A 32 -7.411 -0.624 0.238 1.00 0.00 C ATOM 536 O VAL A 32 -7.792 0.063 1.188 1.00 0.00 O ATOM 537 CB VAL A 32 -5.073 -1.521 0.184 1.00 0.00 C ATOM 538 CG1 VAL A 32 -4.592 -0.386 1.079 1.00 0.00 C ATOM 539 CG2 VAL A 32 -4.191 -2.749 0.359 1.00 0.00 C ATOM 0 H VAL A 32 -6.322 -3.389 -0.957 1.00 0.00 H new ATOM 0 HA VAL A 32 -6.639 -2.171 1.520 1.00 0.00 H new ATOM 0 HB VAL A 32 -5.002 -1.190 -0.852 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -3.549 -0.162 0.854 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -5.200 0.501 0.901 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -4.682 -0.683 2.124 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -3.155 -2.486 0.148 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -4.272 -3.112 1.384 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -4.514 -3.530 -0.329 1.00 0.00 H new ATOM 549 N THR A 33 -7.714 -0.343 -1.028 1.00 0.00 N ATOM 550 CA THR A 33 -8.526 0.815 -1.382 1.00 0.00 C ATOM 551 C THR A 33 -9.923 0.723 -0.757 1.00 0.00 C ATOM 552 O THR A 33 -10.454 1.722 -0.282 1.00 0.00 O ATOM 553 CB THR A 33 -8.625 0.952 -2.905 1.00 0.00 C ATOM 554 OG1 THR A 33 -7.336 1.091 -3.479 1.00 0.00 O ATOM 555 CG2 THR A 33 -9.449 2.139 -3.358 1.00 0.00 C ATOM 0 H THR A 33 -7.408 -0.903 -1.824 1.00 0.00 H new ATOM 0 HA THR A 33 -8.039 1.705 -0.983 1.00 0.00 H new ATOM 0 HB THR A 33 -9.120 0.040 -3.239 1.00 0.00 H new ATOM 0 HG1 THR A 33 -6.953 0.204 -3.642 1.00 0.00 H new ATOM 0 HG21 THR A 33 -9.474 2.170 -4.447 1.00 0.00 H new ATOM 0 HG22 THR A 33 -10.465 2.044 -2.975 1.00 0.00 H new ATOM 0 HG23 THR A 33 -9.002 3.058 -2.979 1.00 0.00 H new ATOM 563 N THR A 34 -10.513 -0.473 -0.755 1.00 0.00 N ATOM 564 CA THR A 34 -11.842 -0.664 -0.171 1.00 0.00 C ATOM 565 C THR A 34 -11.798 -0.601 1.358 1.00 0.00 C ATOM 566 O THR A 34 -12.667 0.010 1.981 1.00 0.00 O ATOM 567 CB THR A 34 -12.455 -1.996 -0.625 1.00 0.00 C ATOM 568 OG1 THR A 34 -12.374 -2.141 -2.033 1.00 0.00 O ATOM 569 CG2 THR A 34 -13.911 -2.148 -0.234 1.00 0.00 C ATOM 0 H THR A 34 -10.097 -1.317 -1.147 1.00 0.00 H new ATOM 0 HA THR A 34 -12.471 0.152 -0.527 1.00 0.00 H new ATOM 0 HB THR A 34 -11.872 -2.765 -0.117 1.00 0.00 H new ATOM 0 HG1 THR A 34 -11.453 -2.357 -2.287 1.00 0.00 H new ATOM 0 HG21 THR A 34 -14.283 -3.111 -0.585 1.00 0.00 H new ATOM 0 HG22 THR A 34 -14.004 -2.096 0.851 1.00 0.00 H new ATOM 0 HG23 THR A 34 -14.495 -1.346 -0.687 1.00 0.00 H new ATOM 577 N VAL A 35 -10.791 -1.241 1.957 1.00 0.00 N ATOM 578 CA VAL A 35 -10.654 -1.260 3.414 1.00 0.00 C ATOM 579 C VAL A 35 -10.446 0.147 3.978 1.00 0.00 C ATOM 580 O VAL A 35 -11.150 0.562 4.899 1.00 0.00 O ATOM 581 CB VAL A 35 -9.484 -2.163 3.872 1.00 0.00 C ATOM 582 CG1 VAL A 35 -9.387 -2.194 5.392 1.00 0.00 C ATOM 583 CG2 VAL A 35 -9.637 -3.573 3.319 1.00 0.00 C ATOM 0 H VAL A 35 -10.062 -1.751 1.458 1.00 0.00 H new ATOM 0 HA VAL A 35 -11.588 -1.668 3.801 1.00 0.00 H new ATOM 0 HB VAL A 35 -8.560 -1.740 3.478 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -8.558 -2.835 5.691 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -9.218 -1.184 5.766 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -10.316 -2.585 5.808 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -8.802 -4.188 3.655 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -10.572 -4.004 3.676 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -9.646 -3.538 2.230 1.00 0.00 H new ATOM 593 N PHE A 36 -9.466 0.871 3.434 1.00 0.00 N ATOM 594 CA PHE A 36 -9.162 2.225 3.904 1.00 0.00 C ATOM 595 C PHE A 36 -10.007 3.298 3.202 1.00 0.00 C ATOM 596 O PHE A 36 -10.118 4.418 3.705 1.00 0.00 O ATOM 597 CB PHE A 36 -7.674 2.530 3.711 1.00 0.00 C ATOM 598 CG PHE A 36 -6.764 1.637 4.509 1.00 0.00 C ATOM 599 CD1 PHE A 36 -6.546 1.875 5.856 1.00 0.00 C ATOM 600 CD2 PHE A 36 -6.125 0.563 3.910 1.00 0.00 C ATOM 601 CE1 PHE A 36 -5.710 1.057 6.592 1.00 0.00 C ATOM 602 CE2 PHE A 36 -5.287 -0.258 4.640 1.00 0.00 C ATOM 603 CZ PHE A 36 -5.081 -0.010 5.983 1.00 0.00 C ATOM 0 H PHE A 36 -8.872 0.545 2.672 1.00 0.00 H new ATOM 0 HA PHE A 36 -9.413 2.256 4.964 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -7.427 2.434 2.654 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -7.486 3.567 3.989 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -7.035 2.709 6.337 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -6.284 0.365 2.860 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -5.549 1.252 7.642 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -4.794 -1.092 4.162 1.00 0.00 H new ATOM 0 HZ PHE A 36 -4.428 -0.651 6.557 1.00 0.00 H new ATOM 613 N GLY A 37 -10.590 2.967 2.045 1.00 0.00 N ATOM 614 CA GLY A 37 -11.400 3.935 1.318 1.00 0.00 C ATOM 615 C GLY A 37 -10.631 4.615 0.194 1.00 0.00 C ATOM 616 O GLY A 37 -9.451 4.334 -0.020 1.00 0.00 O ATOM 0 H GLY A 37 -10.515 2.051 1.602 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -12.274 3.433 0.903 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -11.766 4.691 2.012 1.00 0.00 H new ATOM 620 N GLN A 38 -11.303 5.512 -0.527 1.00 0.00 N ATOM 621 CA GLN A 38 -10.679 6.237 -1.637 1.00 0.00 C ATOM 622 C GLN A 38 -11.131 7.698 -1.658 1.00 0.00 C ATOM 623 O GLN A 38 -12.213 8.025 -1.165 1.00 0.00 O ATOM 624 CB GLN A 38 -11.007 5.563 -2.979 1.00 0.00 C ATOM 625 CG GLN A 38 -12.496 5.353 -3.224 1.00 0.00 C ATOM 626 CD GLN A 38 -13.015 4.058 -2.624 1.00 0.00 C ATOM 627 OE1 GLN A 38 -12.524 2.974 -2.940 1.00 0.00 O ATOM 628 NE2 GLN A 38 -14.015 4.163 -1.756 1.00 0.00 N ATOM 0 H GLN A 38 -12.280 5.755 -0.363 1.00 0.00 H new ATOM 0 HA GLN A 38 -9.600 6.212 -1.488 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -10.599 6.170 -3.787 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -10.503 4.597 -3.021 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -13.051 6.191 -2.802 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -12.686 5.353 -4.297 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -14.393 5.081 -1.522 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -14.405 3.326 -1.324 1.00 0.00 H new ATOM 637 N PRO A 39 -10.306 8.604 -2.224 1.00 0.00 N ATOM 638 CA PRO A 39 -9.011 8.259 -2.821 1.00 0.00 C ATOM 639 C PRO A 39 -7.882 8.164 -1.790 1.00 0.00 C ATOM 640 O PRO A 39 -7.842 8.932 -0.826 1.00 0.00 O ATOM 641 CB PRO A 39 -8.765 9.424 -3.775 1.00 0.00 C ATOM 642 CG PRO A 39 -9.416 10.593 -3.115 1.00 0.00 C ATOM 643 CD PRO A 39 -10.585 10.050 -2.330 1.00 0.00 C ATOM 0 HA PRO A 39 -9.027 7.279 -3.297 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -7.699 9.596 -3.925 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -9.198 9.231 -4.757 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -8.714 11.108 -2.459 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -9.751 11.319 -3.856 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -10.656 10.516 -1.347 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -11.530 10.238 -2.840 1.00 0.00 H new ATOM 651 N LEU A 40 -6.964 7.220 -2.007 1.00 0.00 N ATOM 652 CA LEU A 40 -5.830 7.024 -1.107 1.00 0.00 C ATOM 653 C LEU A 40 -4.543 6.761 -1.890 1.00 0.00 C ATOM 654 O LEU A 40 -4.548 6.028 -2.882 1.00 0.00 O ATOM 655 CB LEU A 40 -6.104 5.861 -0.149 1.00 0.00 C ATOM 656 CG LEU A 40 -6.941 6.212 1.084 1.00 0.00 C ATOM 657 CD1 LEU A 40 -7.169 4.978 1.943 1.00 0.00 C ATOM 658 CD2 LEU A 40 -6.269 7.310 1.896 1.00 0.00 C ATOM 0 H LEU A 40 -6.986 6.579 -2.800 1.00 0.00 H new ATOM 0 HA LEU A 40 -5.700 7.939 -0.530 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -6.613 5.070 -0.700 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -5.149 5.454 0.184 1.00 0.00 H new ATOM 0 HG LEU A 40 -7.909 6.581 0.746 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -7.766 5.247 2.815 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -7.696 4.222 1.361 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -6.208 4.580 2.270 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -6.880 7.544 2.767 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -5.286 6.971 2.223 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -6.159 8.202 1.280 1.00 0.00 H new ATOM 670 N ASP A 41 -3.443 7.363 -1.433 1.00 0.00 N ATOM 671 CA ASP A 41 -2.143 7.199 -2.081 1.00 0.00 C ATOM 672 C ASP A 41 -1.241 6.267 -1.271 1.00 0.00 C ATOM 673 O ASP A 41 -0.917 6.554 -0.116 1.00 0.00 O ATOM 674 CB ASP A 41 -1.463 8.562 -2.253 1.00 0.00 C ATOM 675 CG ASP A 41 -0.244 8.497 -3.156 1.00 0.00 C ATOM 676 OD1 ASP A 41 0.774 7.903 -2.739 1.00 0.00 O ATOM 677 OD2 ASP A 41 -0.306 9.042 -4.278 1.00 0.00 O ATOM 0 H ASP A 41 -3.428 7.970 -0.614 1.00 0.00 H new ATOM 0 HA ASP A 41 -2.307 6.753 -3.062 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -2.179 9.272 -2.667 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -1.166 8.942 -1.275 1.00 0.00 H new ATOM 682 N LEU A 42 -0.832 5.156 -1.885 1.00 0.00 N ATOM 683 CA LEU A 42 0.038 4.185 -1.220 1.00 0.00 C ATOM 684 C LEU A 42 1.509 4.573 -1.375 1.00 0.00 C ATOM 685 O LEU A 42 2.052 4.562 -2.481 1.00 0.00 O ATOM 686 CB LEU A 42 -0.196 2.771 -1.773 1.00 0.00 C ATOM 687 CG LEU A 42 -0.050 2.622 -3.292 1.00 0.00 C ATOM 688 CD1 LEU A 42 1.160 1.765 -3.633 1.00 0.00 C ATOM 689 CD2 LEU A 42 -1.317 2.028 -3.892 1.00 0.00 C ATOM 0 H LEU A 42 -1.089 4.906 -2.840 1.00 0.00 H new ATOM 0 HA LEU A 42 -0.211 4.189 -0.159 1.00 0.00 H new ATOM 0 HB2 LEU A 42 0.505 2.091 -1.290 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -1.198 2.450 -1.489 1.00 0.00 H new ATOM 0 HG LEU A 42 0.103 3.612 -3.723 1.00 0.00 H new ATOM 0 HD11 LEU A 42 1.246 1.671 -4.716 1.00 0.00 H new ATOM 0 HD12 LEU A 42 2.061 2.233 -3.236 1.00 0.00 H new ATOM 0 HD13 LEU A 42 1.041 0.776 -3.192 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -1.197 1.929 -4.971 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -1.501 1.046 -3.456 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -2.162 2.683 -3.680 1.00 0.00 H new ATOM 701 N HIS A 43 2.149 4.919 -0.258 1.00 0.00 N ATOM 702 CA HIS A 43 3.555 5.314 -0.268 1.00 0.00 C ATOM 703 C HIS A 43 4.416 4.304 0.487 1.00 0.00 C ATOM 704 O HIS A 43 4.224 4.081 1.683 1.00 0.00 O ATOM 705 CB HIS A 43 3.717 6.706 0.348 1.00 0.00 C ATOM 706 CG HIS A 43 4.523 7.644 -0.493 1.00 0.00 C ATOM 707 ND1 HIS A 43 4.053 8.869 -0.919 1.00 0.00 N ATOM 708 CD2 HIS A 43 5.781 7.534 -0.988 1.00 0.00 C ATOM 709 CE1 HIS A 43 4.983 9.471 -1.638 1.00 0.00 C ATOM 710 NE2 HIS A 43 6.041 8.683 -1.694 1.00 0.00 N ATOM 0 H HIS A 43 1.715 4.933 0.665 1.00 0.00 H new ATOM 0 HA HIS A 43 3.891 5.340 -1.305 1.00 0.00 H new ATOM 0 HB2 HIS A 43 2.730 7.137 0.514 1.00 0.00 H new ATOM 0 HB3 HIS A 43 4.191 6.609 1.325 1.00 0.00 H new ATOM 0 HD2 HIS A 43 6.453 6.699 -0.852 1.00 0.00 H new ATOM 0 HE1 HIS A 43 4.893 10.442 -2.101 1.00 0.00 H new ATOM 0 HE2 HIS A 43 6.911 8.894 -2.183 1.00 0.00 H new ATOM 719 N TYR A 44 5.372 3.700 -0.218 1.00 0.00 N ATOM 720 CA TYR A 44 6.266 2.718 0.382 1.00 0.00 C ATOM 721 C TYR A 44 7.629 3.342 0.685 1.00 0.00 C ATOM 722 O TYR A 44 8.239 3.971 -0.182 1.00 0.00 O ATOM 723 CB TYR A 44 6.427 1.515 -0.555 1.00 0.00 C ATOM 724 CG TYR A 44 7.540 0.570 -0.158 1.00 0.00 C ATOM 725 CD1 TYR A 44 8.857 0.834 -0.511 1.00 0.00 C ATOM 726 CD2 TYR A 44 7.275 -0.585 0.566 1.00 0.00 C ATOM 727 CE1 TYR A 44 9.878 -0.023 -0.153 1.00 0.00 C ATOM 728 CE2 TYR A 44 8.290 -1.447 0.930 1.00 0.00 C ATOM 729 CZ TYR A 44 9.590 -1.163 0.568 1.00 0.00 C ATOM 730 OH TYR A 44 10.605 -2.019 0.929 1.00 0.00 O ATOM 0 H TYR A 44 5.545 3.876 -1.208 1.00 0.00 H new ATOM 0 HA TYR A 44 5.830 2.379 1.322 1.00 0.00 H new ATOM 0 HB2 TYR A 44 5.488 0.962 -0.584 1.00 0.00 H new ATOM 0 HB3 TYR A 44 6.615 1.877 -1.566 1.00 0.00 H new ATOM 0 HD1 TYR A 44 9.086 1.726 -1.076 1.00 0.00 H new ATOM 0 HD2 TYR A 44 6.258 -0.813 0.849 1.00 0.00 H new ATOM 0 HE1 TYR A 44 10.897 0.198 -0.436 1.00 0.00 H new ATOM 0 HE2 TYR A 44 8.067 -2.340 1.496 1.00 0.00 H new ATOM 0 HH TYR A 44 11.469 -1.615 0.705 1.00 0.00 H new ATOM 740 N MET A 45 8.106 3.158 1.914 1.00 0.00 N ATOM 741 CA MET A 45 9.402 3.698 2.321 1.00 0.00 C ATOM 742 C MET A 45 10.386 2.572 2.627 1.00 0.00 C ATOM 743 O MET A 45 10.051 1.616 3.328 1.00 0.00 O ATOM 744 CB MET A 45 9.245 4.615 3.541 1.00 0.00 C ATOM 745 CG MET A 45 8.589 3.946 4.740 1.00 0.00 C ATOM 746 SD MET A 45 6.834 4.333 4.879 1.00 0.00 S ATOM 747 CE MET A 45 6.429 3.523 6.423 1.00 0.00 C ATOM 0 H MET A 45 7.616 2.641 2.644 1.00 0.00 H new ATOM 0 HA MET A 45 9.799 4.286 1.493 1.00 0.00 H new ATOM 0 HB2 MET A 45 10.228 4.981 3.836 1.00 0.00 H new ATOM 0 HB3 MET A 45 8.653 5.485 3.255 1.00 0.00 H new ATOM 0 HG2 MET A 45 8.714 2.866 4.661 1.00 0.00 H new ATOM 0 HG3 MET A 45 9.099 4.260 5.650 1.00 0.00 H new ATOM 0 HE1 MET A 45 5.577 2.860 6.274 1.00 0.00 H new ATOM 0 HE2 MET A 45 7.285 2.941 6.764 1.00 0.00 H new ATOM 0 HE3 MET A 45 6.178 4.273 7.173 1.00 0.00 H new ATOM 757 N ASN A 46 11.602 2.692 2.098 1.00 0.00 N ATOM 758 CA ASN A 46 12.634 1.682 2.319 1.00 0.00 C ATOM 759 C ASN A 46 13.342 1.922 3.653 1.00 0.00 C ATOM 760 O ASN A 46 13.321 1.064 4.538 1.00 0.00 O ATOM 761 CB ASN A 46 13.646 1.685 1.169 1.00 0.00 C ATOM 762 CG ASN A 46 13.942 0.288 0.658 1.00 0.00 C ATOM 763 OD1 ASN A 46 13.085 -0.359 0.057 1.00 0.00 O ATOM 764 ND2 ASN A 46 15.161 -0.187 0.891 1.00 0.00 N ATOM 0 H ASN A 46 11.896 3.476 1.515 1.00 0.00 H new ATOM 0 HA ASN A 46 12.154 0.704 2.353 1.00 0.00 H new ATOM 0 HB2 ASN A 46 13.261 2.294 0.351 1.00 0.00 H new ATOM 0 HB3 ASN A 46 14.573 2.150 1.505 1.00 0.00 H new ATOM 0 HD21 ASN A 46 15.415 -1.120 0.568 1.00 0.00 H new ATOM 0 HD22 ASN A 46 15.843 0.382 1.393 1.00 0.00 H new ATOM 771 N ASN A 47 13.955 3.100 3.791 1.00 0.00 N ATOM 772 CA ASN A 47 14.660 3.471 5.020 1.00 0.00 C ATOM 773 C ASN A 47 14.610 4.985 5.227 1.00 0.00 C ATOM 774 O ASN A 47 14.001 5.468 6.182 1.00 0.00 O ATOM 775 CB ASN A 47 16.115 2.992 4.979 1.00 0.00 C ATOM 776 CG ASN A 47 16.243 1.499 5.224 1.00 0.00 C ATOM 777 OD1 ASN A 47 16.219 1.042 6.365 1.00 0.00 O ATOM 778 ND2 ASN A 47 16.379 0.731 4.149 1.00 0.00 N ATOM 0 H ASN A 47 13.977 3.815 3.064 1.00 0.00 H new ATOM 0 HA ASN A 47 14.161 2.984 5.858 1.00 0.00 H new ATOM 0 HB2 ASN A 47 16.547 3.236 4.009 1.00 0.00 H new ATOM 0 HB3 ASN A 47 16.693 3.531 5.730 1.00 0.00 H new ATOM 0 HD21 ASN A 47 16.469 -0.280 4.252 1.00 0.00 H new ATOM 0 HD22 ASN A 47 16.394 1.152 3.220 1.00 0.00 H new ATOM 785 N GLU A 48 15.249 5.727 4.319 1.00 0.00 N ATOM 786 CA GLU A 48 15.275 7.190 4.391 1.00 0.00 C ATOM 787 C GLU A 48 14.722 7.828 3.107 1.00 0.00 C ATOM 788 O GLU A 48 14.850 9.038 2.910 1.00 0.00 O ATOM 789 CB GLU A 48 16.706 7.682 4.640 1.00 0.00 C ATOM 790 CG GLU A 48 17.376 7.034 5.847 1.00 0.00 C ATOM 791 CD GLU A 48 18.494 6.082 5.462 1.00 0.00 C ATOM 792 OE1 GLU A 48 18.263 5.206 4.600 1.00 0.00 O ATOM 793 OE2 GLU A 48 19.602 6.211 6.025 1.00 0.00 O ATOM 0 H GLU A 48 15.756 5.338 3.524 1.00 0.00 H new ATOM 0 HA GLU A 48 14.636 7.492 5.221 1.00 0.00 H new ATOM 0 HB2 GLU A 48 17.308 7.486 3.753 1.00 0.00 H new ATOM 0 HB3 GLU A 48 16.690 8.763 4.781 1.00 0.00 H new ATOM 0 HG2 GLU A 48 17.776 7.813 6.496 1.00 0.00 H new ATOM 0 HG3 GLU A 48 16.627 6.492 6.425 1.00 0.00 H new ATOM 800 N LEU A 49 14.109 7.016 2.235 1.00 0.00 N ATOM 801 CA LEU A 49 13.546 7.514 0.979 1.00 0.00 C ATOM 802 C LEU A 49 12.080 7.103 0.831 1.00 0.00 C ATOM 803 O LEU A 49 11.602 6.214 1.540 1.00 0.00 O ATOM 804 CB LEU A 49 14.354 6.984 -0.213 1.00 0.00 C ATOM 805 CG LEU A 49 15.467 7.905 -0.728 1.00 0.00 C ATOM 806 CD1 LEU A 49 14.890 9.208 -1.261 1.00 0.00 C ATOM 807 CD2 LEU A 49 16.492 8.178 0.366 1.00 0.00 C ATOM 0 H LEU A 49 13.992 6.013 2.379 1.00 0.00 H new ATOM 0 HA LEU A 49 13.600 8.603 0.997 1.00 0.00 H new ATOM 0 HB2 LEU A 49 14.799 6.030 0.070 1.00 0.00 H new ATOM 0 HB3 LEU A 49 13.666 6.783 -1.034 1.00 0.00 H new ATOM 0 HG LEU A 49 15.972 7.397 -1.550 1.00 0.00 H new ATOM 0 HD11 LEU A 49 15.699 9.844 -1.620 1.00 0.00 H new ATOM 0 HD12 LEU A 49 14.205 8.994 -2.081 1.00 0.00 H new ATOM 0 HD13 LEU A 49 14.352 9.721 -0.464 1.00 0.00 H new ATOM 0 HD21 LEU A 49 17.272 8.833 -0.022 1.00 0.00 H new ATOM 0 HD22 LEU A 49 16.002 8.659 1.212 1.00 0.00 H new ATOM 0 HD23 LEU A 49 16.937 7.237 0.691 1.00 0.00 H new ATOM 819 N SER A 50 11.373 7.749 -0.101 1.00 0.00 N ATOM 820 CA SER A 50 9.962 7.447 -0.348 1.00 0.00 C ATOM 821 C SER A 50 9.744 7.009 -1.795 1.00 0.00 C ATOM 822 O SER A 50 10.000 7.772 -2.728 1.00 0.00 O ATOM 823 CB SER A 50 9.086 8.668 -0.038 1.00 0.00 C ATOM 824 OG SER A 50 9.671 9.489 0.960 1.00 0.00 O ATOM 0 H SER A 50 11.755 8.484 -0.696 1.00 0.00 H new ATOM 0 HA SER A 50 9.676 6.628 0.312 1.00 0.00 H new ATOM 0 HB2 SER A 50 8.937 9.250 -0.947 1.00 0.00 H new ATOM 0 HB3 SER A 50 8.102 8.336 0.293 1.00 0.00 H new ATOM 0 HG SER A 50 9.089 10.258 1.133 1.00 0.00 H new ATOM 830 N ILE A 51 9.269 5.776 -1.972 1.00 0.00 N ATOM 831 CA ILE A 51 9.013 5.226 -3.302 1.00 0.00 C ATOM 832 C ILE A 51 7.540 4.844 -3.463 1.00 0.00 C ATOM 833 O ILE A 51 6.959 4.197 -2.591 1.00 0.00 O ATOM 834 CB ILE A 51 9.889 3.982 -3.581 1.00 0.00 C ATOM 835 CG1 ILE A 51 11.357 4.263 -3.237 1.00 0.00 C ATOM 836 CG2 ILE A 51 9.758 3.553 -5.038 1.00 0.00 C ATOM 837 CD1 ILE A 51 12.198 3.011 -3.099 1.00 0.00 C ATOM 0 H ILE A 51 9.053 5.137 -1.207 1.00 0.00 H new ATOM 0 HA ILE A 51 9.267 6.006 -4.020 1.00 0.00 H new ATOM 0 HB ILE A 51 9.538 3.169 -2.946 1.00 0.00 H new ATOM 0 HG12 ILE A 51 11.788 4.897 -4.012 1.00 0.00 H new ATOM 0 HG13 ILE A 51 11.402 4.825 -2.304 1.00 0.00 H new ATOM 0 HG21 ILE A 51 10.381 2.677 -5.217 1.00 0.00 H new ATOM 0 HG22 ILE A 51 8.718 3.309 -5.253 1.00 0.00 H new ATOM 0 HG23 ILE A 51 10.082 4.367 -5.687 1.00 0.00 H new ATOM 0 HD11 ILE A 51 13.224 3.287 -2.855 1.00 0.00 H new ATOM 0 HD12 ILE A 51 11.792 2.386 -2.304 1.00 0.00 H new ATOM 0 HD13 ILE A 51 12.184 2.458 -4.038 1.00 0.00 H new ATOM 849 N LEU A 52 6.944 5.247 -4.584 1.00 0.00 N ATOM 850 CA LEU A 52 5.540 4.945 -4.863 1.00 0.00 C ATOM 851 C LEU A 52 5.419 3.810 -5.880 1.00 0.00 C ATOM 852 O LEU A 52 5.943 3.904 -6.991 1.00 0.00 O ATOM 853 CB LEU A 52 4.820 6.194 -5.380 1.00 0.00 C ATOM 854 CG LEU A 52 3.523 6.549 -4.645 1.00 0.00 C ATOM 855 CD1 LEU A 52 3.264 8.049 -4.710 1.00 0.00 C ATOM 856 CD2 LEU A 52 2.348 5.777 -5.228 1.00 0.00 C ATOM 0 H LEU A 52 7.411 5.784 -5.315 1.00 0.00 H new ATOM 0 HA LEU A 52 5.070 4.625 -3.933 1.00 0.00 H new ATOM 0 HB2 LEU A 52 5.502 7.042 -5.311 1.00 0.00 H new ATOM 0 HB3 LEU A 52 4.593 6.052 -6.437 1.00 0.00 H new ATOM 0 HG LEU A 52 3.634 6.265 -3.598 1.00 0.00 H new ATOM 0 HD11 LEU A 52 2.339 8.282 -4.183 1.00 0.00 H new ATOM 0 HD12 LEU A 52 4.092 8.582 -4.242 1.00 0.00 H new ATOM 0 HD13 LEU A 52 3.176 8.358 -5.751 1.00 0.00 H new ATOM 0 HD21 LEU A 52 1.436 6.043 -4.693 1.00 0.00 H new ATOM 0 HD22 LEU A 52 2.236 6.027 -6.283 1.00 0.00 H new ATOM 0 HD23 LEU A 52 2.529 4.707 -5.127 1.00 0.00 H new ATOM 868 N LEU A 53 4.723 2.740 -5.493 1.00 0.00 N ATOM 869 CA LEU A 53 4.531 1.586 -6.373 1.00 0.00 C ATOM 870 C LEU A 53 3.373 1.831 -7.342 1.00 0.00 C ATOM 871 O LEU A 53 2.218 1.541 -7.028 1.00 0.00 O ATOM 872 CB LEU A 53 4.265 0.314 -5.554 1.00 0.00 C ATOM 873 CG LEU A 53 5.156 0.122 -4.321 1.00 0.00 C ATOM 874 CD1 LEU A 53 4.308 -0.166 -3.090 1.00 0.00 C ATOM 875 CD2 LEU A 53 6.154 -1.000 -4.553 1.00 0.00 C ATOM 0 H LEU A 53 4.283 2.648 -4.577 1.00 0.00 H new ATOM 0 HA LEU A 53 5.447 1.448 -6.947 1.00 0.00 H new ATOM 0 HB2 LEU A 53 3.224 0.323 -5.230 1.00 0.00 H new ATOM 0 HB3 LEU A 53 4.388 -0.550 -6.207 1.00 0.00 H new ATOM 0 HG LEU A 53 5.710 1.045 -4.150 1.00 0.00 H new ATOM 0 HD11 LEU A 53 4.957 -0.300 -2.224 1.00 0.00 H new ATOM 0 HD12 LEU A 53 3.631 0.669 -2.911 1.00 0.00 H new ATOM 0 HD13 LEU A 53 3.728 -1.074 -3.252 1.00 0.00 H new ATOM 0 HD21 LEU A 53 6.777 -1.121 -3.667 1.00 0.00 H new ATOM 0 HD22 LEU A 53 5.618 -1.929 -4.750 1.00 0.00 H new ATOM 0 HD23 LEU A 53 6.783 -0.756 -5.409 1.00 0.00 H new ATOM 887 N LYS A 54 3.690 2.366 -8.520 1.00 0.00 N ATOM 888 CA LYS A 54 2.674 2.648 -9.536 1.00 0.00 C ATOM 889 C LYS A 54 2.482 1.457 -10.480 1.00 0.00 C ATOM 890 O LYS A 54 1.380 1.226 -10.978 1.00 0.00 O ATOM 891 CB LYS A 54 3.062 3.895 -10.340 1.00 0.00 C ATOM 892 CG LYS A 54 1.881 4.782 -10.708 1.00 0.00 C ATOM 893 CD LYS A 54 1.314 4.429 -12.077 1.00 0.00 C ATOM 894 CE LYS A 54 1.948 5.267 -13.180 1.00 0.00 C ATOM 895 NZ LYS A 54 3.297 4.761 -13.561 1.00 0.00 N ATOM 0 H LYS A 54 4.641 2.613 -8.795 1.00 0.00 H new ATOM 0 HA LYS A 54 1.730 2.828 -9.023 1.00 0.00 H new ATOM 0 HB2 LYS A 54 3.777 4.480 -9.762 1.00 0.00 H new ATOM 0 HB3 LYS A 54 3.569 3.584 -11.253 1.00 0.00 H new ATOM 0 HG2 LYS A 54 1.101 4.680 -9.954 1.00 0.00 H new ATOM 0 HG3 LYS A 54 2.195 5.826 -10.703 1.00 0.00 H new ATOM 0 HD2 LYS A 54 1.483 3.372 -12.280 1.00 0.00 H new ATOM 0 HD3 LYS A 54 0.235 4.585 -12.076 1.00 0.00 H new ATOM 0 HE2 LYS A 54 1.299 5.264 -14.056 1.00 0.00 H new ATOM 0 HE3 LYS A 54 2.030 6.302 -12.847 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 3.477 4.973 -14.563 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 4.020 5.224 -12.974 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 3.337 3.732 -13.412 1.00 0.00 H new ATOM 909 N ASN A 55 3.562 0.710 -10.722 1.00 0.00 N ATOM 910 CA ASN A 55 3.514 -0.453 -11.608 1.00 0.00 C ATOM 911 C ASN A 55 3.814 -1.738 -10.833 1.00 0.00 C ATOM 912 O ASN A 55 4.369 -1.694 -9.733 1.00 0.00 O ATOM 913 CB ASN A 55 4.518 -0.285 -12.756 1.00 0.00 C ATOM 914 CG ASN A 55 4.156 0.854 -13.696 1.00 0.00 C ATOM 915 OD1 ASN A 55 3.799 1.951 -13.259 1.00 0.00 O ATOM 916 ND2 ASN A 55 4.250 0.607 -15.001 1.00 0.00 N ATOM 0 H ASN A 55 4.480 0.891 -10.316 1.00 0.00 H new ATOM 0 HA ASN A 55 2.509 -0.527 -12.022 1.00 0.00 H new ATOM 0 HB2 ASN A 55 5.510 -0.106 -12.341 1.00 0.00 H new ATOM 0 HB3 ASN A 55 4.573 -1.214 -13.323 1.00 0.00 H new ATOM 0 HD21 ASN A 55 4.023 1.337 -15.676 1.00 0.00 H new ATOM 0 HD22 ASN A 55 4.549 -0.313 -15.326 1.00 0.00 H new ATOM 923 N GLN A 56 3.451 -2.883 -11.420 1.00 0.00 N ATOM 924 CA GLN A 56 3.689 -4.183 -10.786 1.00 0.00 C ATOM 925 C GLN A 56 5.185 -4.433 -10.594 1.00 0.00 C ATOM 926 O GLN A 56 5.589 -5.101 -9.640 1.00 0.00 O ATOM 927 CB GLN A 56 3.076 -5.310 -11.624 1.00 0.00 C ATOM 928 CG GLN A 56 3.232 -6.692 -10.999 1.00 0.00 C ATOM 929 CD GLN A 56 1.962 -7.523 -11.071 1.00 0.00 C ATOM 930 OE1 GLN A 56 1.026 -7.193 -11.802 1.00 0.00 O ATOM 931 NE2 GLN A 56 1.924 -8.613 -10.312 1.00 0.00 N ATOM 0 H GLN A 56 2.993 -2.936 -12.330 1.00 0.00 H new ATOM 0 HA GLN A 56 3.212 -4.169 -9.806 1.00 0.00 H new ATOM 0 HB2 GLN A 56 2.016 -5.105 -11.772 1.00 0.00 H new ATOM 0 HB3 GLN A 56 3.541 -5.312 -12.610 1.00 0.00 H new ATOM 0 HG2 GLN A 56 4.037 -7.225 -11.505 1.00 0.00 H new ATOM 0 HG3 GLN A 56 3.529 -6.582 -9.956 1.00 0.00 H new ATOM 0 HE21 GLN A 56 2.720 -8.851 -9.721 1.00 0.00 H new ATOM 0 HE22 GLN A 56 1.098 -9.212 -10.321 1.00 0.00 H new ATOM 940 N ASP A 57 6.005 -3.894 -11.503 1.00 0.00 N ATOM 941 CA ASP A 57 7.457 -4.058 -11.428 1.00 0.00 C ATOM 942 C ASP A 57 7.982 -3.628 -10.059 1.00 0.00 C ATOM 943 O ASP A 57 8.786 -4.328 -9.445 1.00 0.00 O ATOM 944 CB ASP A 57 8.149 -3.239 -12.525 1.00 0.00 C ATOM 945 CG ASP A 57 9.490 -3.823 -12.927 1.00 0.00 C ATOM 946 OD1 ASP A 57 10.406 -3.853 -12.077 1.00 0.00 O ATOM 947 OD2 ASP A 57 9.626 -4.248 -14.093 1.00 0.00 O ATOM 0 H ASP A 57 5.686 -3.341 -12.298 1.00 0.00 H new ATOM 0 HA ASP A 57 7.682 -5.114 -11.576 1.00 0.00 H new ATOM 0 HB2 ASP A 57 7.501 -3.189 -13.400 1.00 0.00 H new ATOM 0 HB3 ASP A 57 8.292 -2.217 -12.175 1.00 0.00 H new ATOM 952 N ASP A 58 7.514 -2.470 -9.589 1.00 0.00 N ATOM 953 CA ASP A 58 7.929 -1.936 -8.291 1.00 0.00 C ATOM 954 C ASP A 58 7.479 -2.846 -7.146 1.00 0.00 C ATOM 955 O ASP A 58 8.203 -3.020 -6.164 1.00 0.00 O ATOM 956 CB ASP A 58 7.365 -0.525 -8.093 1.00 0.00 C ATOM 957 CG ASP A 58 8.374 0.423 -7.473 1.00 0.00 C ATOM 958 OD1 ASP A 58 9.407 0.699 -8.118 1.00 0.00 O ATOM 959 OD2 ASP A 58 8.130 0.892 -6.342 1.00 0.00 O ATOM 0 H ASP A 58 6.846 -1.883 -10.089 1.00 0.00 H new ATOM 0 HA ASP A 58 9.018 -1.891 -8.280 1.00 0.00 H new ATOM 0 HB2 ASP A 58 7.042 -0.128 -9.055 1.00 0.00 H new ATOM 0 HB3 ASP A 58 6.481 -0.577 -7.457 1.00 0.00 H new ATOM 964 N LEU A 59 6.284 -3.423 -7.281 1.00 0.00 N ATOM 965 CA LEU A 59 5.739 -4.320 -6.261 1.00 0.00 C ATOM 966 C LEU A 59 6.645 -5.539 -6.081 1.00 0.00 C ATOM 967 O LEU A 59 6.980 -5.913 -4.957 1.00 0.00 O ATOM 968 CB LEU A 59 4.321 -4.757 -6.662 1.00 0.00 C ATOM 969 CG LEU A 59 3.705 -5.911 -5.858 1.00 0.00 C ATOM 970 CD1 LEU A 59 4.305 -7.251 -6.267 1.00 0.00 C ATOM 971 CD2 LEU A 59 3.862 -5.681 -4.360 1.00 0.00 C ATOM 0 H LEU A 59 5.675 -3.285 -8.087 1.00 0.00 H new ATOM 0 HA LEU A 59 5.691 -3.790 -5.310 1.00 0.00 H new ATOM 0 HB2 LEU A 59 3.662 -3.893 -6.578 1.00 0.00 H new ATOM 0 HB3 LEU A 59 4.337 -5.045 -7.713 1.00 0.00 H new ATOM 0 HG LEU A 59 2.639 -5.939 -6.085 1.00 0.00 H new ATOM 0 HD11 LEU A 59 3.849 -8.048 -5.680 1.00 0.00 H new ATOM 0 HD12 LEU A 59 4.116 -7.426 -7.326 1.00 0.00 H new ATOM 0 HD13 LEU A 59 5.380 -7.238 -6.088 1.00 0.00 H new ATOM 0 HD21 LEU A 59 3.417 -6.514 -3.815 1.00 0.00 H new ATOM 0 HD22 LEU A 59 4.921 -5.610 -4.112 1.00 0.00 H new ATOM 0 HD23 LEU A 59 3.361 -4.755 -4.080 1.00 0.00 H new ATOM 983 N ASP A 60 7.042 -6.142 -7.201 1.00 0.00 N ATOM 984 CA ASP A 60 7.919 -7.314 -7.176 1.00 0.00 C ATOM 985 C ASP A 60 9.323 -6.943 -6.692 1.00 0.00 C ATOM 986 O ASP A 60 9.995 -7.748 -6.049 1.00 0.00 O ATOM 987 CB ASP A 60 7.996 -7.960 -8.564 1.00 0.00 C ATOM 988 CG ASP A 60 8.705 -9.303 -8.543 1.00 0.00 C ATOM 989 OD1 ASP A 60 8.341 -10.157 -7.705 1.00 0.00 O ATOM 990 OD2 ASP A 60 9.622 -9.501 -9.367 1.00 0.00 O ATOM 0 H ASP A 60 6.771 -5.839 -8.137 1.00 0.00 H new ATOM 0 HA ASP A 60 7.493 -8.032 -6.475 1.00 0.00 H new ATOM 0 HB2 ASP A 60 6.988 -8.091 -8.956 1.00 0.00 H new ATOM 0 HB3 ASP A 60 8.518 -7.288 -9.245 1.00 0.00 H new ATOM 995 N LYS A 61 9.754 -5.717 -6.998 1.00 0.00 N ATOM 996 CA LYS A 61 11.072 -5.236 -6.588 1.00 0.00 C ATOM 997 C LYS A 61 11.182 -5.189 -5.062 1.00 0.00 C ATOM 998 O LYS A 61 12.226 -5.515 -4.496 1.00 0.00 O ATOM 999 CB LYS A 61 11.325 -3.845 -7.175 1.00 0.00 C ATOM 1000 CG LYS A 61 12.773 -3.392 -7.091 1.00 0.00 C ATOM 1001 CD LYS A 61 12.909 -1.913 -7.427 1.00 0.00 C ATOM 1002 CE LYS A 61 13.811 -1.188 -6.438 1.00 0.00 C ATOM 1003 NZ LYS A 61 13.168 -1.033 -5.102 1.00 0.00 N ATOM 0 H LYS A 61 9.207 -5.040 -7.529 1.00 0.00 H new ATOM 0 HA LYS A 61 11.825 -5.928 -6.965 1.00 0.00 H new ATOM 0 HB2 LYS A 61 11.014 -3.841 -8.220 1.00 0.00 H new ATOM 0 HB3 LYS A 61 10.698 -3.122 -6.653 1.00 0.00 H new ATOM 0 HG2 LYS A 61 13.157 -3.576 -6.087 1.00 0.00 H new ATOM 0 HG3 LYS A 61 13.381 -3.981 -7.778 1.00 0.00 H new ATOM 0 HD2 LYS A 61 13.313 -1.805 -8.434 1.00 0.00 H new ATOM 0 HD3 LYS A 61 11.923 -1.448 -7.427 1.00 0.00 H new ATOM 0 HE2 LYS A 61 14.745 -1.739 -6.329 1.00 0.00 H new ATOM 0 HE3 LYS A 61 14.066 -0.205 -6.834 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 13.902 -0.974 -4.368 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 12.597 -0.164 -5.090 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 12.556 -1.852 -4.914 1.00 0.00 H new ATOM 1017 N ALA A 62 10.090 -4.790 -4.403 1.00 0.00 N ATOM 1018 CA ALA A 62 10.054 -4.710 -2.943 1.00 0.00 C ATOM 1019 C ALA A 62 10.180 -6.098 -2.313 1.00 0.00 C ATOM 1020 O ALA A 62 10.805 -6.254 -1.263 1.00 0.00 O ATOM 1021 CB ALA A 62 8.772 -4.035 -2.479 1.00 0.00 C ATOM 0 H ALA A 62 9.220 -4.518 -4.860 1.00 0.00 H new ATOM 0 HA ALA A 62 10.904 -4.111 -2.618 1.00 0.00 H new ATOM 0 HB1 ALA A 62 8.761 -3.984 -1.390 1.00 0.00 H new ATOM 0 HB2 ALA A 62 8.722 -3.027 -2.890 1.00 0.00 H new ATOM 0 HB3 ALA A 62 7.913 -4.610 -2.824 1.00 0.00 H new ATOM 1027 N ILE A 63 9.584 -7.101 -2.962 1.00 0.00 N ATOM 1028 CA ILE A 63 9.637 -8.475 -2.465 1.00 0.00 C ATOM 1029 C ILE A 63 11.081 -8.958 -2.357 1.00 0.00 C ATOM 1030 O ILE A 63 11.481 -9.511 -1.331 1.00 0.00 O ATOM 1031 CB ILE A 63 8.849 -9.449 -3.374 1.00 0.00 C ATOM 1032 CG1 ILE A 63 7.422 -8.943 -3.611 1.00 0.00 C ATOM 1033 CG2 ILE A 63 8.823 -10.844 -2.760 1.00 0.00 C ATOM 1034 CD1 ILE A 63 6.650 -8.663 -2.337 1.00 0.00 C ATOM 0 H ILE A 63 9.061 -6.987 -3.830 1.00 0.00 H new ATOM 0 HA ILE A 63 9.175 -8.468 -1.478 1.00 0.00 H new ATOM 0 HB ILE A 63 9.356 -9.500 -4.338 1.00 0.00 H new ATOM 0 HG12 ILE A 63 7.465 -8.031 -4.206 1.00 0.00 H new ATOM 0 HG13 ILE A 63 6.878 -9.682 -4.199 1.00 0.00 H new ATOM 0 HG21 ILE A 63 8.265 -11.518 -3.411 1.00 0.00 H new ATOM 0 HG22 ILE A 63 9.843 -11.211 -2.647 1.00 0.00 H new ATOM 0 HG23 ILE A 63 8.342 -10.803 -1.783 1.00 0.00 H new ATOM 0 HD11 ILE A 63 5.650 -8.309 -2.588 1.00 0.00 H new ATOM 0 HD12 ILE A 63 6.574 -9.578 -1.749 1.00 0.00 H new ATOM 0 HD13 ILE A 63 7.170 -7.901 -1.757 1.00 0.00 H new ATOM 1046 N ASP A 64 11.859 -8.736 -3.417 1.00 0.00 N ATOM 1047 CA ASP A 64 13.263 -9.142 -3.442 1.00 0.00 C ATOM 1048 C ASP A 64 14.024 -8.548 -2.257 1.00 0.00 C ATOM 1049 O ASP A 64 14.827 -9.233 -1.620 1.00 0.00 O ATOM 1050 CB ASP A 64 13.924 -8.708 -4.754 1.00 0.00 C ATOM 1051 CG ASP A 64 13.541 -9.596 -5.922 1.00 0.00 C ATOM 1052 OD1 ASP A 64 13.999 -10.757 -5.961 1.00 0.00 O ATOM 1053 OD2 ASP A 64 12.783 -9.128 -6.798 1.00 0.00 O ATOM 0 H ASP A 64 11.539 -8.277 -4.270 1.00 0.00 H new ATOM 0 HA ASP A 64 13.299 -10.229 -3.369 1.00 0.00 H new ATOM 0 HB2 ASP A 64 13.641 -7.679 -4.976 1.00 0.00 H new ATOM 0 HB3 ASP A 64 15.007 -8.721 -4.632 1.00 0.00 H new ATOM 1058 N ILE A 65 13.763 -7.274 -1.964 1.00 0.00 N ATOM 1059 CA ILE A 65 14.421 -6.594 -0.852 1.00 0.00 C ATOM 1060 C ILE A 65 13.972 -7.176 0.487 1.00 0.00 C ATOM 1061 O ILE A 65 14.791 -7.397 1.380 1.00 0.00 O ATOM 1062 CB ILE A 65 14.149 -5.073 -0.857 1.00 0.00 C ATOM 1063 CG1 ILE A 65 14.454 -4.469 -2.233 1.00 0.00 C ATOM 1064 CG2 ILE A 65 14.977 -4.384 0.221 1.00 0.00 C ATOM 1065 CD1 ILE A 65 13.600 -3.264 -2.565 1.00 0.00 C ATOM 0 H ILE A 65 13.102 -6.694 -2.481 1.00 0.00 H new ATOM 0 HA ILE A 65 15.491 -6.754 -0.982 1.00 0.00 H new ATOM 0 HB ILE A 65 13.092 -4.914 -0.642 1.00 0.00 H new ATOM 0 HG12 ILE A 65 15.505 -4.181 -2.270 1.00 0.00 H new ATOM 0 HG13 ILE A 65 14.305 -5.232 -2.997 1.00 0.00 H new ATOM 0 HG21 ILE A 65 14.775 -3.313 0.206 1.00 0.00 H new ATOM 0 HG22 ILE A 65 14.712 -4.789 1.198 1.00 0.00 H new ATOM 0 HG23 ILE A 65 16.037 -4.556 0.032 1.00 0.00 H new ATOM 0 HD11 ILE A 65 13.869 -2.888 -3.552 1.00 0.00 H new ATOM 0 HD12 ILE A 65 12.548 -3.551 -2.560 1.00 0.00 H new ATOM 0 HD13 ILE A 65 13.767 -2.484 -1.822 1.00 0.00 H new ATOM 1077 N LEU A 66 12.669 -7.423 0.618 1.00 0.00 N ATOM 1078 CA LEU A 66 12.113 -7.984 1.849 1.00 0.00 C ATOM 1079 C LEU A 66 12.754 -9.334 2.169 1.00 0.00 C ATOM 1080 O LEU A 66 13.139 -9.589 3.309 1.00 0.00 O ATOM 1081 CB LEU A 66 10.593 -8.136 1.731 1.00 0.00 C ATOM 1082 CG LEU A 66 9.848 -8.277 3.063 1.00 0.00 C ATOM 1083 CD1 LEU A 66 9.866 -6.962 3.830 1.00 0.00 C ATOM 1084 CD2 LEU A 66 8.417 -8.741 2.827 1.00 0.00 C ATOM 0 H LEU A 66 11.980 -7.244 -0.112 1.00 0.00 H new ATOM 0 HA LEU A 66 12.334 -7.295 2.664 1.00 0.00 H new ATOM 0 HB2 LEU A 66 10.197 -7.270 1.201 1.00 0.00 H new ATOM 0 HB3 LEU A 66 10.378 -9.011 1.118 1.00 0.00 H new ATOM 0 HG LEU A 66 10.359 -9.029 3.664 1.00 0.00 H new ATOM 0 HD11 LEU A 66 9.332 -7.083 4.772 1.00 0.00 H new ATOM 0 HD12 LEU A 66 10.897 -6.673 4.032 1.00 0.00 H new ATOM 0 HD13 LEU A 66 9.382 -6.187 3.236 1.00 0.00 H new ATOM 0 HD21 LEU A 66 7.903 -8.836 3.783 1.00 0.00 H new ATOM 0 HD22 LEU A 66 7.896 -8.013 2.206 1.00 0.00 H new ATOM 0 HD23 LEU A 66 8.426 -9.707 2.323 1.00 0.00 H new ATOM 1096 N ASP A 67 12.872 -10.193 1.153 1.00 0.00 N ATOM 1097 CA ASP A 67 13.475 -11.516 1.326 1.00 0.00 C ATOM 1098 C ASP A 67 14.962 -11.405 1.674 1.00 0.00 C ATOM 1099 O ASP A 67 15.497 -12.234 2.411 1.00 0.00 O ATOM 1100 CB ASP A 67 13.298 -12.357 0.057 1.00 0.00 C ATOM 1101 CG ASP A 67 11.928 -13.005 -0.028 1.00 0.00 C ATOM 1102 OD1 ASP A 67 11.748 -14.095 0.559 1.00 0.00 O ATOM 1103 OD2 ASP A 67 11.035 -12.428 -0.682 1.00 0.00 O ATOM 0 H ASP A 67 12.558 -9.996 0.203 1.00 0.00 H new ATOM 0 HA ASP A 67 12.964 -12.008 2.154 1.00 0.00 H new ATOM 0 HB2 ASP A 67 13.452 -11.725 -0.818 1.00 0.00 H new ATOM 0 HB3 ASP A 67 14.064 -13.132 0.029 1.00 0.00 H new ATOM 1108 N ARG A 68 15.625 -10.372 1.143 1.00 0.00 N ATOM 1109 CA ARG A 68 17.049 -10.151 1.404 1.00 0.00 C ATOM 1110 C ARG A 68 17.303 -9.844 2.883 1.00 0.00 C ATOM 1111 O ARG A 68 18.344 -10.213 3.429 1.00 0.00 O ATOM 1112 CB ARG A 68 17.581 -9.000 0.542 1.00 0.00 C ATOM 1113 CG ARG A 68 18.500 -9.449 -0.581 1.00 0.00 C ATOM 1114 CD ARG A 68 19.869 -9.859 -0.055 1.00 0.00 C ATOM 1115 NE ARG A 68 20.620 -10.649 -1.033 1.00 0.00 N ATOM 1116 CZ ARG A 68 21.711 -11.365 -0.744 1.00 0.00 C ATOM 1117 NH1 ARG A 68 22.196 -11.393 0.496 1.00 0.00 N ATOM 1118 NH2 ARG A 68 22.321 -12.056 -1.702 1.00 0.00 N ATOM 0 H ARG A 68 15.198 -9.677 0.531 1.00 0.00 H new ATOM 0 HA ARG A 68 17.576 -11.069 1.146 1.00 0.00 H new ATOM 0 HB2 ARG A 68 16.737 -8.459 0.114 1.00 0.00 H new ATOM 0 HB3 ARG A 68 18.118 -8.299 1.180 1.00 0.00 H new ATOM 0 HG2 ARG A 68 18.047 -10.288 -1.110 1.00 0.00 H new ATOM 0 HG3 ARG A 68 18.614 -8.641 -1.304 1.00 0.00 H new ATOM 0 HD2 ARG A 68 20.439 -8.967 0.205 1.00 0.00 H new ATOM 0 HD3 ARG A 68 19.747 -10.437 0.861 1.00 0.00 H new ATOM 0 HE ARG A 68 20.289 -10.653 -1.998 1.00 0.00 H new ATOM 0 HH11 ARG A 68 21.734 -10.865 1.236 1.00 0.00 H new ATOM 0 HH12 ARG A 68 23.029 -11.943 0.705 1.00 0.00 H new ATOM 0 HH21 ARG A 68 21.956 -12.039 -2.654 1.00 0.00 H new ATOM 0 HH22 ARG A 68 23.154 -12.603 -1.485 1.00 0.00 H new ATOM 1132 N SER A 69 16.349 -9.164 3.524 1.00 0.00 N ATOM 1133 CA SER A 69 16.476 -8.809 4.936 1.00 0.00 C ATOM 1134 C SER A 69 15.618 -9.720 5.814 1.00 0.00 C ATOM 1135 O SER A 69 14.390 -9.649 5.781 1.00 0.00 O ATOM 1136 CB SER A 69 16.075 -7.346 5.155 1.00 0.00 C ATOM 1137 OG SER A 69 16.216 -6.972 6.517 1.00 0.00 O ATOM 0 H SER A 69 15.483 -8.850 3.087 1.00 0.00 H new ATOM 0 HA SER A 69 17.520 -8.942 5.222 1.00 0.00 H new ATOM 0 HB2 SER A 69 16.694 -6.700 4.532 1.00 0.00 H new ATOM 0 HB3 SER A 69 15.042 -7.199 4.840 1.00 0.00 H new ATOM 0 HG SER A 69 15.955 -6.034 6.627 1.00 0.00 H new ATOM 1143 N SER A 70 16.277 -10.568 6.608 1.00 0.00 N ATOM 1144 CA SER A 70 15.574 -11.486 7.508 1.00 0.00 C ATOM 1145 C SER A 70 14.758 -10.715 8.549 1.00 0.00 C ATOM 1146 O SER A 70 13.637 -11.107 8.879 1.00 0.00 O ATOM 1147 CB SER A 70 16.570 -12.412 8.211 1.00 0.00 C ATOM 1148 OG SER A 70 17.575 -11.668 8.878 1.00 0.00 O ATOM 0 H SER A 70 17.294 -10.638 6.646 1.00 0.00 H new ATOM 0 HA SER A 70 14.891 -12.087 6.908 1.00 0.00 H new ATOM 0 HB2 SER A 70 16.043 -13.041 8.928 1.00 0.00 H new ATOM 0 HB3 SER A 70 17.030 -13.078 7.481 1.00 0.00 H new ATOM 0 HG SER A 70 18.197 -12.282 9.320 1.00 0.00 H new ATOM 1154 N SER A 71 15.331 -9.623 9.062 1.00 0.00 N ATOM 1155 CA SER A 71 14.662 -8.793 10.067 1.00 0.00 C ATOM 1156 C SER A 71 13.354 -8.203 9.526 1.00 0.00 C ATOM 1157 O SER A 71 12.386 -8.045 10.271 1.00 0.00 O ATOM 1158 CB SER A 71 15.592 -7.667 10.538 1.00 0.00 C ATOM 1159 OG SER A 71 15.668 -6.616 9.588 1.00 0.00 O ATOM 0 H SER A 71 16.259 -9.293 8.797 1.00 0.00 H new ATOM 0 HA SER A 71 14.419 -9.433 10.915 1.00 0.00 H new ATOM 0 HB2 SER A 71 15.233 -7.273 11.489 1.00 0.00 H new ATOM 0 HB3 SER A 71 16.589 -8.069 10.716 1.00 0.00 H new ATOM 0 HG SER A 71 15.866 -6.988 8.703 1.00 0.00 H new ATOM 1165 N MET A 72 13.336 -7.879 8.233 1.00 0.00 N ATOM 1166 CA MET A 72 12.151 -7.305 7.603 1.00 0.00 C ATOM 1167 C MET A 72 11.253 -8.400 7.025 1.00 0.00 C ATOM 1168 O MET A 72 11.429 -8.819 5.879 1.00 0.00 O ATOM 1169 CB MET A 72 12.559 -6.322 6.503 1.00 0.00 C ATOM 1170 CG MET A 72 11.602 -5.151 6.352 1.00 0.00 C ATOM 1171 SD MET A 72 12.398 -3.689 5.658 1.00 0.00 S ATOM 1172 CE MET A 72 12.323 -4.058 3.907 1.00 0.00 C ATOM 0 H MET A 72 14.129 -8.005 7.603 1.00 0.00 H new ATOM 0 HA MET A 72 11.587 -6.769 8.366 1.00 0.00 H new ATOM 0 HB2 MET A 72 13.557 -5.940 6.720 1.00 0.00 H new ATOM 0 HB3 MET A 72 12.621 -6.855 5.554 1.00 0.00 H new ATOM 0 HG2 MET A 72 10.771 -5.446 5.711 1.00 0.00 H new ATOM 0 HG3 MET A 72 11.181 -4.903 7.326 1.00 0.00 H new ATOM 0 HE1 MET A 72 12.778 -3.243 3.344 1.00 0.00 H new ATOM 0 HE2 MET A 72 12.863 -4.984 3.707 1.00 0.00 H new ATOM 0 HE3 MET A 72 11.282 -4.172 3.603 1.00 0.00 H new ATOM 1182 N LYS A 73 10.287 -8.854 7.825 1.00 0.00 N ATOM 1183 CA LYS A 73 9.355 -9.896 7.396 1.00 0.00 C ATOM 1184 C LYS A 73 8.035 -9.291 6.909 1.00 0.00 C ATOM 1185 O LYS A 73 7.412 -9.812 5.981 1.00 0.00 O ATOM 1186 CB LYS A 73 9.093 -10.893 8.533 1.00 0.00 C ATOM 1187 CG LYS A 73 8.567 -10.256 9.811 1.00 0.00 C ATOM 1188 CD LYS A 73 7.781 -11.254 10.645 1.00 0.00 C ATOM 1189 CE LYS A 73 6.326 -11.330 10.204 1.00 0.00 C ATOM 1190 NZ LYS A 73 5.437 -10.495 11.060 1.00 0.00 N ATOM 0 H LYS A 73 10.130 -8.516 8.774 1.00 0.00 H new ATOM 0 HA LYS A 73 9.815 -10.428 6.563 1.00 0.00 H new ATOM 0 HB2 LYS A 73 8.376 -11.638 8.190 1.00 0.00 H new ATOM 0 HB3 LYS A 73 10.019 -11.422 8.758 1.00 0.00 H new ATOM 0 HG2 LYS A 73 9.401 -9.868 10.396 1.00 0.00 H new ATOM 0 HG3 LYS A 73 7.930 -9.407 9.561 1.00 0.00 H new ATOM 0 HD2 LYS A 73 8.239 -12.240 10.561 1.00 0.00 H new ATOM 0 HD3 LYS A 73 7.829 -10.968 11.696 1.00 0.00 H new ATOM 0 HE2 LYS A 73 6.244 -11.001 9.168 1.00 0.00 H new ATOM 0 HE3 LYS A 73 5.991 -12.367 10.237 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 4.553 -11.010 11.248 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 5.916 -10.288 11.960 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 5.221 -9.603 10.570 1.00 0.00 H new ATOM 1204 N SER A 74 7.615 -8.190 7.538 1.00 0.00 N ATOM 1205 CA SER A 74 6.372 -7.516 7.167 1.00 0.00 C ATOM 1206 C SER A 74 6.635 -6.420 6.133 1.00 0.00 C ATOM 1207 O SER A 74 7.783 -6.035 5.904 1.00 0.00 O ATOM 1208 CB SER A 74 5.702 -6.915 8.405 1.00 0.00 C ATOM 1209 OG SER A 74 5.161 -7.926 9.238 1.00 0.00 O ATOM 0 H SER A 74 8.119 -7.748 8.307 1.00 0.00 H new ATOM 0 HA SER A 74 5.705 -8.256 6.726 1.00 0.00 H new ATOM 0 HB2 SER A 74 6.429 -6.328 8.966 1.00 0.00 H new ATOM 0 HB3 SER A 74 4.910 -6.232 8.097 1.00 0.00 H new ATOM 0 HG SER A 74 4.741 -7.514 10.022 1.00 0.00 H new ATOM 1215 N LEU A 75 5.566 -5.919 5.512 1.00 0.00 N ATOM 1216 CA LEU A 75 5.688 -4.866 4.507 1.00 0.00 C ATOM 1217 C LEU A 75 5.420 -3.493 5.119 1.00 0.00 C ATOM 1218 O LEU A 75 4.339 -3.244 5.659 1.00 0.00 O ATOM 1219 CB LEU A 75 4.725 -5.119 3.342 1.00 0.00 C ATOM 1220 CG LEU A 75 5.389 -5.579 2.040 1.00 0.00 C ATOM 1221 CD1 LEU A 75 4.349 -6.135 1.080 1.00 0.00 C ATOM 1222 CD2 LEU A 75 6.155 -4.432 1.395 1.00 0.00 C ATOM 0 H LEU A 75 4.609 -6.225 5.688 1.00 0.00 H new ATOM 0 HA LEU A 75 6.710 -4.881 4.129 1.00 0.00 H new ATOM 0 HB2 LEU A 75 3.999 -5.872 3.648 1.00 0.00 H new ATOM 0 HB3 LEU A 75 4.169 -4.202 3.144 1.00 0.00 H new ATOM 0 HG LEU A 75 6.098 -6.373 2.277 1.00 0.00 H new ATOM 0 HD11 LEU A 75 4.838 -6.457 0.161 1.00 0.00 H new ATOM 0 HD12 LEU A 75 3.846 -6.985 1.541 1.00 0.00 H new ATOM 0 HD13 LEU A 75 3.616 -5.362 0.850 1.00 0.00 H new ATOM 0 HD21 LEU A 75 6.619 -4.778 0.472 1.00 0.00 H new ATOM 0 HD22 LEU A 75 5.468 -3.616 1.172 1.00 0.00 H new ATOM 0 HD23 LEU A 75 6.927 -4.080 2.079 1.00 0.00 H new ATOM 1234 N ARG A 76 6.409 -2.604 5.035 1.00 0.00 N ATOM 1235 CA ARG A 76 6.283 -1.255 5.582 1.00 0.00 C ATOM 1236 C ARG A 76 5.709 -0.298 4.534 1.00 0.00 C ATOM 1237 O ARG A 76 6.453 0.390 3.832 1.00 0.00 O ATOM 1238 CB ARG A 76 7.644 -0.750 6.079 1.00 0.00 C ATOM 1239 CG ARG A 76 8.390 -1.749 6.957 1.00 0.00 C ATOM 1240 CD ARG A 76 8.842 -1.123 8.270 1.00 0.00 C ATOM 1241 NE ARG A 76 7.722 -0.611 9.060 1.00 0.00 N ATOM 1242 CZ ARG A 76 7.787 -0.354 10.369 1.00 0.00 C ATOM 1243 NH1 ARG A 76 8.909 -0.579 11.048 1.00 0.00 N ATOM 1244 NH2 ARG A 76 6.725 0.133 11.004 1.00 0.00 N ATOM 0 H ARG A 76 7.308 -2.795 4.592 1.00 0.00 H new ATOM 0 HA ARG A 76 5.595 -1.291 6.427 1.00 0.00 H new ATOM 0 HB2 ARG A 76 8.265 -0.503 5.218 1.00 0.00 H new ATOM 0 HB3 ARG A 76 7.495 0.172 6.640 1.00 0.00 H new ATOM 0 HG2 ARG A 76 7.745 -2.603 7.165 1.00 0.00 H new ATOM 0 HG3 ARG A 76 9.258 -2.129 6.418 1.00 0.00 H new ATOM 0 HD2 ARG A 76 9.386 -1.865 8.855 1.00 0.00 H new ATOM 0 HD3 ARG A 76 9.537 -0.310 8.061 1.00 0.00 H new ATOM 0 HE ARG A 76 6.837 -0.440 8.582 1.00 0.00 H new ATOM 0 HH11 ARG A 76 9.729 -0.951 10.569 1.00 0.00 H new ATOM 0 HH12 ARG A 76 8.949 -0.380 12.048 1.00 0.00 H new ATOM 0 HH21 ARG A 76 5.861 0.310 10.491 1.00 0.00 H new ATOM 0 HH22 ARG A 76 6.774 0.329 12.004 1.00 0.00 H new ATOM 1258 N ILE A 77 4.379 -0.271 4.429 1.00 0.00 N ATOM 1259 CA ILE A 77 3.697 0.592 3.464 1.00 0.00 C ATOM 1260 C ILE A 77 2.804 1.613 4.172 1.00 0.00 C ATOM 1261 O ILE A 77 1.927 1.245 4.957 1.00 0.00 O ATOM 1262 CB ILE A 77 2.834 -0.233 2.481 1.00 0.00 C ATOM 1263 CG1 ILE A 77 3.641 -1.397 1.892 1.00 0.00 C ATOM 1264 CG2 ILE A 77 2.294 0.656 1.368 1.00 0.00 C ATOM 1265 CD1 ILE A 77 2.778 -2.528 1.377 1.00 0.00 C ATOM 0 H ILE A 77 3.753 -0.838 5.001 1.00 0.00 H new ATOM 0 HA ILE A 77 4.473 1.116 2.905 1.00 0.00 H new ATOM 0 HB ILE A 77 1.991 -0.647 3.034 1.00 0.00 H new ATOM 0 HG12 ILE A 77 4.261 -1.023 1.077 1.00 0.00 H new ATOM 0 HG13 ILE A 77 4.316 -1.784 2.655 1.00 0.00 H new ATOM 0 HG21 ILE A 77 1.689 0.058 0.686 1.00 0.00 H new ATOM 0 HG22 ILE A 77 1.680 1.447 1.799 1.00 0.00 H new ATOM 0 HG23 ILE A 77 3.126 1.100 0.821 1.00 0.00 H new ATOM 0 HD11 ILE A 77 3.414 -3.317 0.975 1.00 0.00 H new ATOM 0 HD12 ILE A 77 2.177 -2.928 2.194 1.00 0.00 H new ATOM 0 HD13 ILE A 77 2.121 -2.156 0.591 1.00 0.00 H new ATOM 1277 N LEU A 78 3.034 2.896 3.884 1.00 0.00 N ATOM 1278 CA LEU A 78 2.256 3.977 4.485 1.00 0.00 C ATOM 1279 C LEU A 78 1.374 4.660 3.437 1.00 0.00 C ATOM 1280 O LEU A 78 1.880 5.245 2.479 1.00 0.00 O ATOM 1281 CB LEU A 78 3.198 5.005 5.123 1.00 0.00 C ATOM 1282 CG LEU A 78 2.573 5.871 6.221 1.00 0.00 C ATOM 1283 CD1 LEU A 78 2.878 5.295 7.596 1.00 0.00 C ATOM 1284 CD2 LEU A 78 3.074 7.305 6.119 1.00 0.00 C ATOM 0 H LEU A 78 3.756 3.210 3.236 1.00 0.00 H new ATOM 0 HA LEU A 78 1.611 3.551 5.254 1.00 0.00 H new ATOM 0 HB2 LEU A 78 4.055 4.477 5.542 1.00 0.00 H new ATOM 0 HB3 LEU A 78 3.579 5.660 4.339 1.00 0.00 H new ATOM 0 HG LEU A 78 1.492 5.873 6.083 1.00 0.00 H new ATOM 0 HD11 LEU A 78 2.426 5.924 8.363 1.00 0.00 H new ATOM 0 HD12 LEU A 78 2.470 4.287 7.667 1.00 0.00 H new ATOM 0 HD13 LEU A 78 3.957 5.261 7.745 1.00 0.00 H new ATOM 0 HD21 LEU A 78 2.620 7.906 6.907 1.00 0.00 H new ATOM 0 HD22 LEU A 78 4.158 7.320 6.230 1.00 0.00 H new ATOM 0 HD23 LEU A 78 2.803 7.717 5.147 1.00 0.00 H new ATOM 1296 N LEU A 79 0.054 4.587 3.624 1.00 0.00 N ATOM 1297 CA LEU A 79 -0.882 5.207 2.684 1.00 0.00 C ATOM 1298 C LEU A 79 -1.448 6.512 3.248 1.00 0.00 C ATOM 1299 O LEU A 79 -1.813 6.587 4.423 1.00 0.00 O ATOM 1300 CB LEU A 79 -2.015 4.235 2.323 1.00 0.00 C ATOM 1301 CG LEU A 79 -2.857 3.724 3.498 1.00 0.00 C ATOM 1302 CD1 LEU A 79 -4.114 4.566 3.665 1.00 0.00 C ATOM 1303 CD2 LEU A 79 -3.222 2.258 3.295 1.00 0.00 C ATOM 0 H LEU A 79 -0.387 4.110 4.410 1.00 0.00 H new ATOM 0 HA LEU A 79 -0.332 5.446 1.774 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -2.679 4.728 1.613 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -1.582 3.376 1.811 1.00 0.00 H new ATOM 0 HG LEU A 79 -2.263 3.811 4.408 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -4.697 4.187 4.504 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -3.835 5.602 3.856 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -4.711 4.513 2.755 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -3.820 1.912 4.138 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -3.796 2.150 2.375 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -2.312 1.662 3.227 1.00 0.00 H new ATOM 1315 N LEU A 80 -1.508 7.541 2.400 1.00 0.00 N ATOM 1316 CA LEU A 80 -2.018 8.851 2.804 1.00 0.00 C ATOM 1317 C LEU A 80 -3.243 9.245 1.978 1.00 0.00 C ATOM 1318 O LEU A 80 -3.446 8.738 0.874 1.00 0.00 O ATOM 1319 CB LEU A 80 -0.927 9.915 2.647 1.00 0.00 C ATOM 1320 CG LEU A 80 0.434 9.550 3.255 1.00 0.00 C ATOM 1321 CD1 LEU A 80 1.343 8.923 2.205 1.00 0.00 C ATOM 1322 CD2 LEU A 80 1.091 10.782 3.865 1.00 0.00 C ATOM 0 H LEU A 80 -1.208 7.491 1.426 1.00 0.00 H new ATOM 0 HA LEU A 80 -2.314 8.787 3.851 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -0.790 10.118 1.585 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -1.276 10.840 3.106 1.00 0.00 H new ATOM 0 HG LEU A 80 0.271 8.817 4.045 1.00 0.00 H new ATOM 0 HD11 LEU A 80 2.302 8.672 2.657 1.00 0.00 H new ATOM 0 HD12 LEU A 80 0.878 8.018 1.815 1.00 0.00 H new ATOM 0 HD13 LEU A 80 1.500 9.630 1.391 1.00 0.00 H new ATOM 0 HD21 LEU A 80 2.055 10.506 4.292 1.00 0.00 H new ATOM 0 HD22 LEU A 80 1.239 11.536 3.092 1.00 0.00 H new ATOM 0 HD23 LEU A 80 0.450 11.186 4.648 1.00 0.00 H new ATOM 1334 N SER A 81 -4.052 10.155 2.517 1.00 0.00 N ATOM 1335 CA SER A 81 -5.254 10.618 1.826 1.00 0.00 C ATOM 1336 C SER A 81 -4.945 11.812 0.928 1.00 0.00 C ATOM 1337 O SER A 81 -4.224 12.728 1.326 1.00 0.00 O ATOM 1338 CB SER A 81 -6.343 11.002 2.834 1.00 0.00 C ATOM 1339 OG SER A 81 -6.170 10.325 4.070 1.00 0.00 O ATOM 0 H SER A 81 -3.898 10.586 3.429 1.00 0.00 H new ATOM 0 HA SER A 81 -5.614 9.797 1.205 1.00 0.00 H new ATOM 0 HB2 SER A 81 -6.322 12.079 3.002 1.00 0.00 H new ATOM 0 HB3 SER A 81 -7.323 10.763 2.421 1.00 0.00 H new ATOM 0 HG SER A 81 -6.879 10.593 4.692 1.00 0.00 H new ATOM 1345 N GLN A 82 -5.506 11.800 -0.281 1.00 0.00 N ATOM 1346 CA GLN A 82 -5.297 12.891 -1.238 1.00 0.00 C ATOM 1347 C GLN A 82 -6.325 14.011 -1.057 1.00 0.00 C ATOM 1348 O GLN A 82 -6.342 14.978 -1.821 1.00 0.00 O ATOM 1349 CB GLN A 82 -5.342 12.356 -2.672 1.00 0.00 C ATOM 1350 CG GLN A 82 -4.649 13.248 -3.694 1.00 0.00 C ATOM 1351 CD GLN A 82 -3.178 13.469 -3.391 1.00 0.00 C ATOM 1352 OE1 GLN A 82 -2.435 12.519 -3.138 1.00 0.00 O ATOM 1353 NE2 GLN A 82 -2.747 14.726 -3.415 1.00 0.00 N ATOM 0 H GLN A 82 -6.107 11.050 -0.622 1.00 0.00 H new ATOM 0 HA GLN A 82 -4.311 13.314 -1.044 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -4.879 11.369 -2.694 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -6.383 12.226 -2.967 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -4.747 12.801 -4.683 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -5.156 14.212 -3.728 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -3.396 15.484 -3.629 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -1.768 14.933 -3.219 1.00 0.00 H new ATOM 1362 N ASP A 83 -7.159 13.878 -0.036 1.00 0.00 N ATOM 1363 CA ASP A 83 -8.184 14.874 0.270 1.00 0.00 C ATOM 1364 C ASP A 83 -8.295 15.098 1.782 1.00 0.00 C ATOM 1365 O ASP A 83 -9.348 15.498 2.284 1.00 0.00 O ATOM 1366 CB ASP A 83 -9.539 14.432 -0.304 1.00 0.00 C ATOM 1367 CG ASP A 83 -9.926 15.195 -1.560 1.00 0.00 C ATOM 1368 OD1 ASP A 83 -9.068 15.347 -2.455 1.00 0.00 O ATOM 1369 OD2 ASP A 83 -11.089 15.638 -1.647 1.00 0.00 O ATOM 0 H ASP A 83 -7.148 13.083 0.602 1.00 0.00 H new ATOM 0 HA ASP A 83 -7.894 15.817 -0.193 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -9.502 13.366 -0.529 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -10.311 14.572 0.452 1.00 0.00 H new ATOM 1374 N ARG A 84 -7.198 14.836 2.502 1.00 0.00 N ATOM 1375 CA ARG A 84 -7.167 15.005 3.953 1.00 0.00 C ATOM 1376 C ARG A 84 -5.731 14.947 4.482 1.00 0.00 C ATOM 1377 O ARG A 84 -5.268 13.902 4.947 1.00 0.00 O ATOM 1378 CB ARG A 84 -8.019 13.922 4.625 1.00 0.00 C ATOM 1379 CG ARG A 84 -9.323 14.445 5.200 1.00 0.00 C ATOM 1380 CD ARG A 84 -10.389 13.363 5.229 1.00 0.00 C ATOM 1381 NE ARG A 84 -11.016 13.172 3.920 1.00 0.00 N ATOM 1382 CZ ARG A 84 -11.715 12.088 3.577 1.00 0.00 C ATOM 1383 NH1 ARG A 84 -11.885 11.091 4.441 1.00 0.00 N ATOM 1384 NH2 ARG A 84 -12.251 12.000 2.364 1.00 0.00 N ATOM 0 H ARG A 84 -6.321 14.506 2.100 1.00 0.00 H new ATOM 0 HA ARG A 84 -7.578 15.986 4.192 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -8.240 13.141 3.897 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -7.439 13.459 5.423 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -9.153 14.818 6.210 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -9.673 15.287 4.604 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -9.943 12.424 5.557 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -11.152 13.626 5.961 1.00 0.00 H new ATOM 0 HE ARG A 84 -10.912 13.913 3.227 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -11.480 11.151 5.375 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -12.421 10.267 4.169 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -12.128 12.761 1.696 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -12.785 11.172 2.101 1.00 0.00 H new ATOM 1398 N ASN A 85 -5.027 16.080 4.408 1.00 0.00 N ATOM 1399 CA ASN A 85 -3.645 16.159 4.879 1.00 0.00 C ATOM 1400 C ASN A 85 -3.379 17.487 5.586 1.00 0.00 C ATOM 1401 O ASN A 85 -3.751 18.551 5.089 1.00 0.00 O ATOM 1402 CB ASN A 85 -2.668 15.979 3.713 1.00 0.00 C ATOM 1403 CG ASN A 85 -1.513 15.058 4.062 1.00 0.00 C ATOM 1404 OD1 ASN A 85 -0.348 15.448 3.974 1.00 0.00 O ATOM 1405 ND2 ASN A 85 -1.830 13.831 4.464 1.00 0.00 N ATOM 0 H ASN A 85 -5.392 16.953 4.027 1.00 0.00 H new ATOM 0 HA ASN A 85 -3.491 15.353 5.596 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -3.203 15.576 2.853 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -2.276 16.952 3.417 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -1.094 13.170 4.714 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -2.809 13.550 4.522 1.00 0.00 H new ATOM 1412 N LEU A 86 -2.728 17.406 6.749 1.00 0.00 N ATOM 1413 CA LEU A 86 -2.396 18.592 7.548 1.00 0.00 C ATOM 1414 C LEU A 86 -1.536 18.221 8.767 1.00 0.00 C ATOM 1415 O LEU A 86 -0.628 18.966 9.140 1.00 0.00 O ATOM 1416 CB LEU A 86 -3.673 19.306 8.013 1.00 0.00 C ATOM 1417 CG LEU A 86 -3.938 20.666 7.359 1.00 0.00 C ATOM 1418 CD1 LEU A 86 -5.251 21.247 7.862 1.00 0.00 C ATOM 1419 CD2 LEU A 86 -2.790 21.630 7.630 1.00 0.00 C ATOM 0 H LEU A 86 -2.418 16.526 7.162 1.00 0.00 H new ATOM 0 HA LEU A 86 -1.821 19.265 6.912 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -4.525 18.655 7.817 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -3.619 19.445 9.093 1.00 0.00 H new ATOM 0 HG LEU A 86 -4.011 20.520 6.281 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -5.426 22.213 7.389 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -6.067 20.569 7.615 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -5.201 21.376 8.943 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -3.000 22.589 7.156 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -2.681 21.773 8.705 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -1.866 21.219 7.223 1.00 0.00 H new ATOM 1431 N GLU A 87 -1.841 17.073 9.387 1.00 0.00 N ATOM 1432 CA GLU A 87 -1.113 16.594 10.568 1.00 0.00 C ATOM 1433 C GLU A 87 0.395 16.496 10.311 1.00 0.00 C ATOM 1434 O GLU A 87 0.838 16.403 9.164 1.00 0.00 O ATOM 1435 CB GLU A 87 -1.644 15.221 10.999 1.00 0.00 C ATOM 1436 CG GLU A 87 -3.137 15.208 11.308 1.00 0.00 C ATOM 1437 CD GLU A 87 -3.491 14.315 12.484 1.00 0.00 C ATOM 1438 OE1 GLU A 87 -2.806 14.397 13.526 1.00 0.00 O ATOM 1439 OE2 GLU A 87 -4.460 13.534 12.365 1.00 0.00 O ATOM 0 H GLU A 87 -2.594 16.455 9.086 1.00 0.00 H new ATOM 0 HA GLU A 87 -1.276 17.322 11.363 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -1.440 14.498 10.209 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -1.097 14.891 11.882 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -3.468 16.225 11.518 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -3.682 14.872 10.426 1.00 0.00 H new ATOM 1446 N HIS A 88 1.175 16.512 11.393 1.00 0.00 N ATOM 1447 CA HIS A 88 2.634 16.421 11.302 1.00 0.00 C ATOM 1448 C HIS A 88 3.092 14.979 11.055 1.00 0.00 C ATOM 1449 O HIS A 88 2.285 14.047 11.088 1.00 0.00 O ATOM 1450 CB HIS A 88 3.279 16.957 12.584 1.00 0.00 C ATOM 1451 CG HIS A 88 4.327 18.000 12.343 1.00 0.00 C ATOM 1452 ND1 HIS A 88 4.067 19.353 12.384 1.00 0.00 N ATOM 1453 CD2 HIS A 88 5.650 17.880 12.064 1.00 0.00 C ATOM 1454 CE1 HIS A 88 5.181 20.021 12.140 1.00 0.00 C ATOM 1455 NE2 HIS A 88 6.154 19.151 11.943 1.00 0.00 N ATOM 0 H HIS A 88 0.820 16.587 12.346 1.00 0.00 H new ATOM 0 HA HIS A 88 2.951 17.028 10.454 1.00 0.00 H new ATOM 0 HB2 HIS A 88 2.502 17.377 13.223 1.00 0.00 H new ATOM 0 HB3 HIS A 88 3.726 16.126 13.130 1.00 0.00 H new ATOM 0 HD2 HIS A 88 6.202 16.958 11.957 1.00 0.00 H new ATOM 0 HE1 HIS A 88 5.279 21.096 12.107 1.00 0.00 H new ATOM 0 HE2 HIS A 88 7.124 19.386 11.734 1.00 0.00 H new ATOM 1464 N HIS A 89 4.393 14.809 10.812 1.00 0.00 N ATOM 1465 CA HIS A 89 4.970 13.488 10.560 1.00 0.00 C ATOM 1466 C HIS A 89 5.829 13.024 11.741 1.00 0.00 C ATOM 1467 O HIS A 89 5.626 11.930 12.267 1.00 0.00 O ATOM 1468 CB HIS A 89 5.810 13.516 9.279 1.00 0.00 C ATOM 1469 CG HIS A 89 6.102 12.160 8.715 1.00 0.00 C ATOM 1470 ND1 HIS A 89 5.117 11.247 8.404 1.00 0.00 N ATOM 1471 CD2 HIS A 89 7.278 11.566 8.400 1.00 0.00 C ATOM 1472 CE1 HIS A 89 5.673 10.150 7.922 1.00 0.00 C ATOM 1473 NE2 HIS A 89 6.982 10.319 7.908 1.00 0.00 N ATOM 0 H HIS A 89 5.069 15.573 10.784 1.00 0.00 H new ATOM 0 HA HIS A 89 4.151 12.779 10.438 1.00 0.00 H new ATOM 0 HB2 HIS A 89 5.288 14.107 8.527 1.00 0.00 H new ATOM 0 HB3 HIS A 89 6.752 14.024 9.485 1.00 0.00 H new ATOM 0 HD2 HIS A 89 8.263 11.993 8.514 1.00 0.00 H new ATOM 0 HE1 HIS A 89 5.146 9.266 7.595 1.00 0.00 H new ATOM 0 HE2 HIS A 89 7.664 9.633 7.584 1.00 0.00 H new ATOM 1482 N HIS A 90 6.785 13.869 12.149 1.00 0.00 N ATOM 1483 CA HIS A 90 7.681 13.563 13.271 1.00 0.00 C ATOM 1484 C HIS A 90 8.593 12.373 12.957 1.00 0.00 C ATOM 1485 O HIS A 90 8.177 11.216 13.051 1.00 0.00 O ATOM 1486 CB HIS A 90 6.869 13.292 14.545 1.00 0.00 C ATOM 1487 CG HIS A 90 6.395 14.537 15.234 1.00 0.00 C ATOM 1488 ND1 HIS A 90 6.485 14.727 16.598 1.00 0.00 N ATOM 1489 CD2 HIS A 90 5.826 15.659 14.738 1.00 0.00 C ATOM 1490 CE1 HIS A 90 5.991 15.911 16.909 1.00 0.00 C ATOM 1491 NE2 HIS A 90 5.585 16.498 15.798 1.00 0.00 N ATOM 0 H HIS A 90 6.958 14.776 11.715 1.00 0.00 H new ATOM 0 HA HIS A 90 8.317 14.433 13.434 1.00 0.00 H new ATOM 0 HB2 HIS A 90 6.006 12.677 14.291 1.00 0.00 H new ATOM 0 HB3 HIS A 90 7.480 12.714 15.238 1.00 0.00 H new ATOM 0 HD2 HIS A 90 5.603 15.858 13.700 1.00 0.00 H new ATOM 0 HE1 HIS A 90 5.929 16.329 17.903 1.00 0.00 H new ATOM 0 HE2 HIS A 90 5.161 17.424 15.737 1.00 0.00 H new ATOM 1500 N HIS A 91 9.841 12.669 12.582 1.00 0.00 N ATOM 1501 CA HIS A 91 10.820 11.632 12.253 1.00 0.00 C ATOM 1502 C HIS A 91 11.883 11.512 13.352 1.00 0.00 C ATOM 1503 O HIS A 91 11.971 12.366 14.236 1.00 0.00 O ATOM 1504 CB HIS A 91 11.483 11.944 10.905 1.00 0.00 C ATOM 1505 CG HIS A 91 11.613 10.760 9.987 1.00 0.00 C ATOM 1506 ND1 HIS A 91 11.301 9.465 10.359 1.00 0.00 N ATOM 1507 CD2 HIS A 91 12.025 10.684 8.696 1.00 0.00 C ATOM 1508 CE1 HIS A 91 11.519 8.651 9.340 1.00 0.00 C ATOM 1509 NE2 HIS A 91 11.957 9.365 8.321 1.00 0.00 N ATOM 0 H HIS A 91 10.197 13.621 12.499 1.00 0.00 H new ATOM 0 HA HIS A 91 10.298 10.678 12.181 1.00 0.00 H new ATOM 0 HB2 HIS A 91 10.905 12.718 10.400 1.00 0.00 H new ATOM 0 HB3 HIS A 91 12.475 12.356 11.089 1.00 0.00 H new ATOM 0 HD2 HIS A 91 12.347 11.509 8.078 1.00 0.00 H new ATOM 0 HE1 HIS A 91 11.365 7.582 9.342 1.00 0.00 H new ATOM 0 HE2 HIS A 91 12.205 8.997 7.403 1.00 0.00 H new ATOM 1518 N HIS A 92 12.686 10.441 13.283 1.00 0.00 N ATOM 1519 CA HIS A 92 13.752 10.179 14.258 1.00 0.00 C ATOM 1520 C HIS A 92 13.172 9.831 15.633 1.00 0.00 C ATOM 1521 O HIS A 92 13.156 8.663 16.023 1.00 0.00 O ATOM 1522 CB HIS A 92 14.710 11.375 14.365 1.00 0.00 C ATOM 1523 CG HIS A 92 15.759 11.413 13.291 1.00 0.00 C ATOM 1524 ND1 HIS A 92 16.958 12.078 13.437 1.00 0.00 N ATOM 1525 CD2 HIS A 92 15.783 10.868 12.049 1.00 0.00 C ATOM 1526 CE1 HIS A 92 17.673 11.943 12.332 1.00 0.00 C ATOM 1527 NE2 HIS A 92 16.982 11.213 11.476 1.00 0.00 N ATOM 0 H HIS A 92 12.615 9.734 12.551 1.00 0.00 H new ATOM 0 HA HIS A 92 14.319 9.319 13.901 1.00 0.00 H new ATOM 0 HB2 HIS A 92 14.130 12.297 14.325 1.00 0.00 H new ATOM 0 HB3 HIS A 92 15.201 11.349 15.338 1.00 0.00 H new ATOM 0 HD2 HIS A 92 15.004 10.273 11.595 1.00 0.00 H new ATOM 0 HE1 HIS A 92 18.655 12.359 12.160 1.00 0.00 H new ATOM 0 HE2 HIS A 92 17.289 10.948 10.540 1.00 0.00 H new ATOM 1536 N HIS A 93 12.695 10.844 16.357 1.00 0.00 N ATOM 1537 CA HIS A 93 12.113 10.633 17.678 1.00 0.00 C ATOM 1538 C HIS A 93 10.955 11.601 17.922 1.00 0.00 C ATOM 1539 O HIS A 93 11.211 12.822 18.014 1.00 0.00 O ATOM 1540 CB HIS A 93 13.180 10.803 18.766 1.00 0.00 C ATOM 1541 CG HIS A 93 12.701 10.434 20.139 1.00 0.00 C ATOM 1542 ND1 HIS A 93 12.846 9.171 20.675 1.00 0.00 N ATOM 1543 CD2 HIS A 93 12.073 11.172 21.087 1.00 0.00 C ATOM 1544 CE1 HIS A 93 12.327 9.148 21.891 1.00 0.00 C ATOM 1545 NE2 HIS A 93 11.852 10.350 22.165 1.00 0.00 N ATOM 1546 OXT HIS A 93 9.804 11.130 18.018 1.00 0.00 O ATOM 0 H HIS A 93 12.701 11.817 16.049 1.00 0.00 H new ATOM 0 HA HIS A 93 11.726 9.615 17.720 1.00 0.00 H new ATOM 0 HB2 HIS A 93 14.045 10.189 18.515 1.00 0.00 H new ATOM 0 HB3 HIS A 93 13.517 11.840 18.774 1.00 0.00 H new ATOM 0 HD2 HIS A 93 11.797 12.213 21.009 1.00 0.00 H new ATOM 0 HE1 HIS A 93 12.297 8.292 22.549 1.00 0.00 H new ATOM 0 HE2 HIS A 93 11.396 10.623 23.035 1.00 0.00 H new TER 1555 HIS A 93