USER MOD reduce.3.24.130724 H: found=0, std=0, add=837, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 837 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 71 THR OG1 : rot 125:sc= 0.0141 USER MOD Set 1.2: A 74 GLN : amide:sc= -2.18 K(o=-2.2,f=-0.033) USER MOD Set 2.1: A 37 GLN : amide:sc= 0.556 K(o=1.8,f=-4.3!) USER MOD Set 2.2: A 72 HIS : no HE2:sc= 1.22 K(o=1.8,f=-9.5!) USER MOD Single : A 9 THR OG1 : rot 180:sc= -0.0773 USER MOD Single : A 10 MET CE :methyl 158:sc= -0.219 (180deg=-0.901) USER MOD Single : A 15 CYS SG : rot -89:sc= 0.0149 USER MOD Single : A 16 CYS SG : rot 41:sc= 0.00853 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 ASN : amide:sc= -0.0847 X(o=-0.085,f=0) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 HIS : no HD1:sc= -0.902! C(o=-0.9!,f=-5.3!) USER MOD Single : A 29 HIS : no HE2:sc= -0.902 K(o=-0.9,f=-5.6!) USER MOD Single : A 32 LYS NZ :NH3+ -160:sc= -0.116 (180deg=-0.462) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot -88:sc= 1.19 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 ASN : amide:sc= -0.448 X(o=-0.45,f=-0.9) USER MOD Single : A 66 ASN : amide:sc= -1.85 K(o=-1.8,f=-0.28) USER MOD Single : A 69 LYS NZ :NH3+ -120:sc= 0.107 (180deg=-0.254) USER MOD Single : A 73 GLN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 77 SER OG : rot 70:sc= 1.22 USER MOD Single : A 84 ASN : amide:sc= 0 X(o=0,f=-0.035) USER MOD Single : A 95 THR OG1 : rot 95:sc= 0.879 USER MOD Single : A 98 GLN : amide:sc= -0.0389 K(o=-0.039,f=-0.73) USER MOD Single : A 100 GLN : amide:sc= 0.946 K(o=0.95,f=-4.4!) USER MOD Single : A 101 LYS NZ :NH3+ -174:sc= 1.14 (180deg=1.02) USER MOD Single : A 105 GLN : amide:sc= -1.15 X(o=-1.2,f=-1) USER MOD ----------------------------------------------------------------- ATOM 41 N PRO A 7 -8.078 -17.930 2.345 1.00 0.00 N ATOM 42 CA PRO A 7 -6.785 -17.716 2.980 1.00 0.00 C ATOM 43 C PRO A 7 -5.952 -16.729 2.185 1.00 0.00 C ATOM 44 O PRO A 7 -5.141 -15.985 2.734 1.00 0.00 O ATOM 45 CB PRO A 7 -6.139 -19.101 2.961 1.00 0.00 C ATOM 46 CG PRO A 7 -6.788 -19.828 1.831 1.00 0.00 C ATOM 47 CD PRO A 7 -8.152 -19.216 1.633 1.00 0.00 C ATOM 0 HA PRO A 7 -6.872 -17.301 3.984 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -5.061 -19.029 2.814 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -6.298 -19.621 3.905 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -6.191 -19.740 0.923 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -6.872 -20.891 2.055 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -8.375 -19.073 0.576 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -8.937 -19.853 2.041 1.00 0.00 H new ATOM 55 N PHE A 8 -6.182 -16.740 0.881 1.00 0.00 N ATOM 56 CA PHE A 8 -5.462 -15.909 -0.061 1.00 0.00 C ATOM 57 C PHE A 8 -6.343 -15.674 -1.278 1.00 0.00 C ATOM 58 O PHE A 8 -7.106 -16.557 -1.672 1.00 0.00 O ATOM 59 CB PHE A 8 -4.148 -16.587 -0.446 1.00 0.00 C ATOM 60 CG PHE A 8 -3.101 -16.451 0.616 1.00 0.00 C ATOM 61 CD1 PHE A 8 -2.627 -15.201 0.965 1.00 0.00 C ATOM 62 CD2 PHE A 8 -2.614 -17.560 1.287 1.00 0.00 C ATOM 63 CE1 PHE A 8 -1.691 -15.053 1.959 1.00 0.00 C ATOM 64 CE2 PHE A 8 -1.669 -17.418 2.284 1.00 0.00 C ATOM 65 CZ PHE A 8 -1.211 -16.160 2.621 1.00 0.00 C ATOM 0 H PHE A 8 -6.885 -17.337 0.445 1.00 0.00 H new ATOM 0 HA PHE A 8 -5.220 -14.945 0.387 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -4.331 -17.644 -0.638 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -3.777 -16.153 -1.375 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -2.998 -14.328 0.449 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -2.976 -18.544 1.029 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -1.332 -14.069 2.221 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -1.289 -18.288 2.798 1.00 0.00 H new ATOM 0 HZ PHE A 8 -0.476 -16.045 3.404 1.00 0.00 H new ATOM 75 N THR A 9 -6.254 -14.495 -1.875 1.00 0.00 N ATOM 76 CA THR A 9 -7.212 -14.122 -2.898 1.00 0.00 C ATOM 77 C THR A 9 -6.559 -13.319 -4.040 1.00 0.00 C ATOM 78 O THR A 9 -5.937 -13.913 -4.922 1.00 0.00 O ATOM 79 CB THR A 9 -8.421 -13.390 -2.248 1.00 0.00 C ATOM 80 OG1 THR A 9 -9.243 -12.755 -3.235 1.00 0.00 O ATOM 81 CG2 THR A 9 -7.976 -12.388 -1.190 1.00 0.00 C ATOM 0 H THR A 9 -5.542 -13.794 -1.672 1.00 0.00 H new ATOM 0 HA THR A 9 -7.591 -15.029 -3.370 1.00 0.00 H new ATOM 0 HB THR A 9 -9.020 -14.152 -1.750 1.00 0.00 H new ATOM 0 HG1 THR A 9 -9.994 -12.306 -2.795 1.00 0.00 H new ATOM 0 HG21 THR A 9 -8.851 -11.899 -0.761 1.00 0.00 H new ATOM 0 HG22 THR A 9 -7.429 -12.908 -0.404 1.00 0.00 H new ATOM 0 HG23 THR A 9 -7.329 -11.639 -1.647 1.00 0.00 H new ATOM 89 N MET A 10 -6.662 -11.992 -4.027 1.00 0.00 N ATOM 90 CA MET A 10 -6.042 -11.174 -5.066 1.00 0.00 C ATOM 91 C MET A 10 -4.716 -10.665 -4.558 1.00 0.00 C ATOM 92 O MET A 10 -3.792 -10.404 -5.329 1.00 0.00 O ATOM 93 CB MET A 10 -6.941 -10.008 -5.479 1.00 0.00 C ATOM 94 CG MET A 10 -8.173 -10.436 -6.256 1.00 0.00 C ATOM 95 SD MET A 10 -9.176 -9.037 -6.798 1.00 0.00 S ATOM 96 CE MET A 10 -7.996 -8.132 -7.800 1.00 0.00 C ATOM 0 H MET A 10 -7.165 -11.464 -3.314 1.00 0.00 H new ATOM 0 HA MET A 10 -5.890 -11.789 -5.953 1.00 0.00 H new ATOM 0 HB2 MET A 10 -7.255 -9.468 -4.586 1.00 0.00 H new ATOM 0 HB3 MET A 10 -6.363 -9.312 -6.086 1.00 0.00 H new ATOM 0 HG2 MET A 10 -7.865 -11.016 -7.126 1.00 0.00 H new ATOM 0 HG3 MET A 10 -8.780 -11.093 -5.633 1.00 0.00 H new ATOM 0 HE1 MET A 10 -8.530 -7.490 -8.500 1.00 0.00 H new ATOM 0 HE2 MET A 10 -7.365 -7.520 -7.155 1.00 0.00 H new ATOM 0 HE3 MET A 10 -7.375 -8.835 -8.354 1.00 0.00 H new ATOM 106 N LEU A 11 -4.660 -10.530 -3.234 1.00 0.00 N ATOM 107 CA LEU A 11 -3.422 -10.309 -2.500 1.00 0.00 C ATOM 108 C LEU A 11 -2.926 -8.866 -2.629 1.00 0.00 C ATOM 109 O LEU A 11 -3.340 -8.132 -3.524 1.00 0.00 O ATOM 110 CB LEU A 11 -2.349 -11.302 -2.956 1.00 0.00 C ATOM 111 CG LEU A 11 -2.790 -12.758 -3.028 1.00 0.00 C ATOM 112 CD1 LEU A 11 -1.686 -13.625 -3.612 1.00 0.00 C ATOM 113 CD2 LEU A 11 -3.184 -13.248 -1.649 1.00 0.00 C ATOM 0 H LEU A 11 -5.485 -10.572 -2.636 1.00 0.00 H new ATOM 0 HA LEU A 11 -3.630 -10.478 -1.444 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -1.994 -10.999 -3.941 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -1.500 -11.231 -2.275 1.00 0.00 H new ATOM 0 HG LEU A 11 -3.657 -12.830 -3.685 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -2.021 -14.661 -3.655 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -1.446 -13.280 -4.618 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -0.798 -13.557 -2.983 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -3.498 -14.290 -1.709 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -2.331 -13.164 -0.976 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -4.007 -12.642 -1.269 1.00 0.00 H new ATOM 125 N PRO A 12 -2.055 -8.433 -1.695 1.00 0.00 N ATOM 126 CA PRO A 12 -1.489 -7.074 -1.692 1.00 0.00 C ATOM 127 C PRO A 12 -0.525 -6.836 -2.845 1.00 0.00 C ATOM 128 O PRO A 12 0.052 -7.776 -3.392 1.00 0.00 O ATOM 129 CB PRO A 12 -0.737 -7.012 -0.364 1.00 0.00 C ATOM 130 CG PRO A 12 -0.385 -8.427 -0.078 1.00 0.00 C ATOM 131 CD PRO A 12 -1.554 -9.229 -0.559 1.00 0.00 C ATOM 0 HA PRO A 12 -2.263 -6.316 -1.807 1.00 0.00 H new ATOM 0 HB2 PRO A 12 0.153 -6.388 -0.439 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -1.358 -6.589 0.426 1.00 0.00 H new ATOM 0 HG2 PRO A 12 0.530 -8.717 -0.594 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -0.213 -8.582 0.987 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -1.257 -10.231 -0.868 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -2.310 -9.346 0.217 1.00 0.00 H new ATOM 139 N ARG A 13 -0.338 -5.576 -3.196 1.00 0.00 N ATOM 140 CA ARG A 13 0.535 -5.214 -4.295 1.00 0.00 C ATOM 141 C ARG A 13 1.520 -4.134 -3.880 1.00 0.00 C ATOM 142 O ARG A 13 1.129 -3.085 -3.364 1.00 0.00 O ATOM 143 CB ARG A 13 -0.287 -4.723 -5.479 1.00 0.00 C ATOM 144 CG ARG A 13 -1.179 -5.787 -6.086 1.00 0.00 C ATOM 145 CD ARG A 13 -2.031 -5.201 -7.190 1.00 0.00 C ATOM 146 NE ARG A 13 -3.020 -4.250 -6.671 1.00 0.00 N ATOM 147 CZ ARG A 13 -4.055 -3.787 -7.370 1.00 0.00 C ATOM 148 NH1 ARG A 13 -4.251 -4.191 -8.617 1.00 0.00 N ATOM 149 NH2 ARG A 13 -4.902 -2.930 -6.812 1.00 0.00 N ATOM 0 H ARG A 13 -0.782 -4.784 -2.732 1.00 0.00 H new ATOM 0 HA ARG A 13 1.096 -6.103 -4.583 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -0.904 -3.884 -5.158 1.00 0.00 H new ATOM 0 HB3 ARG A 13 0.388 -4.346 -6.247 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -0.568 -6.598 -6.482 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -1.818 -6.217 -5.315 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -1.391 -4.699 -7.915 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -2.543 -6.005 -7.719 1.00 0.00 H new ATOM 0 HE ARG A 13 -2.908 -3.922 -5.712 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -3.608 -4.858 -9.044 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -5.044 -3.835 -9.150 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -4.760 -2.627 -5.849 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -5.695 -2.575 -7.347 1.00 0.00 H new ATOM 163 N LEU A 14 2.795 -4.401 -4.094 1.00 0.00 N ATOM 164 CA LEU A 14 3.833 -3.411 -3.844 1.00 0.00 C ATOM 165 C LEU A 14 4.083 -2.610 -5.106 1.00 0.00 C ATOM 166 O LEU A 14 4.665 -3.112 -6.068 1.00 0.00 O ATOM 167 CB LEU A 14 5.133 -4.081 -3.391 1.00 0.00 C ATOM 168 CG LEU A 14 6.307 -3.137 -3.140 1.00 0.00 C ATOM 169 CD1 LEU A 14 6.017 -2.231 -1.954 1.00 0.00 C ATOM 170 CD2 LEU A 14 7.583 -3.933 -2.916 1.00 0.00 C ATOM 0 H LEU A 14 3.140 -5.296 -4.441 1.00 0.00 H new ATOM 0 HA LEU A 14 3.494 -2.749 -3.047 1.00 0.00 H new ATOM 0 HB2 LEU A 14 4.934 -4.637 -2.475 1.00 0.00 H new ATOM 0 HB3 LEU A 14 5.429 -4.808 -4.147 1.00 0.00 H new ATOM 0 HG LEU A 14 6.446 -2.508 -4.019 1.00 0.00 H new ATOM 0 HD11 LEU A 14 6.864 -1.565 -1.789 1.00 0.00 H new ATOM 0 HD12 LEU A 14 5.124 -1.639 -2.158 1.00 0.00 H new ATOM 0 HD13 LEU A 14 5.854 -2.838 -1.063 1.00 0.00 H new ATOM 0 HD21 LEU A 14 8.412 -3.248 -2.738 1.00 0.00 H new ATOM 0 HD22 LEU A 14 7.458 -4.584 -2.051 1.00 0.00 H new ATOM 0 HD23 LEU A 14 7.794 -4.538 -3.798 1.00 0.00 H new ATOM 182 N CYS A 15 3.625 -1.378 -5.107 1.00 0.00 N ATOM 183 CA CYS A 15 3.799 -0.510 -6.249 1.00 0.00 C ATOM 184 C CYS A 15 4.969 0.434 -6.009 1.00 0.00 C ATOM 185 O CYS A 15 4.890 1.346 -5.188 1.00 0.00 O ATOM 186 CB CYS A 15 2.511 0.274 -6.501 1.00 0.00 C ATOM 187 SG CYS A 15 1.042 -0.771 -6.659 1.00 0.00 S ATOM 0 H CYS A 15 3.127 -0.953 -4.325 1.00 0.00 H new ATOM 0 HA CYS A 15 4.018 -1.110 -7.132 1.00 0.00 H new ATOM 0 HB2 CYS A 15 2.359 0.978 -5.683 1.00 0.00 H new ATOM 0 HB3 CYS A 15 2.627 0.863 -7.411 1.00 0.00 H new ATOM 0 HG CYS A 15 0.892 -1.124 -7.901 1.00 0.00 H new ATOM 193 N CYS A 16 6.065 0.197 -6.709 1.00 0.00 N ATOM 194 CA CYS A 16 7.240 1.036 -6.573 1.00 0.00 C ATOM 195 C CYS A 16 7.310 2.029 -7.723 1.00 0.00 C ATOM 196 O CYS A 16 7.519 1.656 -8.877 1.00 0.00 O ATOM 197 CB CYS A 16 8.511 0.180 -6.507 1.00 0.00 C ATOM 198 SG CYS A 16 8.693 -1.016 -7.853 1.00 0.00 S ATOM 0 H CYS A 16 6.164 -0.568 -7.376 1.00 0.00 H new ATOM 0 HA CYS A 16 7.166 1.595 -5.640 1.00 0.00 H new ATOM 0 HB2 CYS A 16 9.378 0.841 -6.508 1.00 0.00 H new ATOM 0 HB3 CYS A 16 8.521 -0.357 -5.559 1.00 0.00 H new ATOM 0 HG CYS A 16 8.323 -0.469 -8.973 1.00 0.00 H new ATOM 204 N LEU A 17 7.120 3.293 -7.399 1.00 0.00 N ATOM 205 CA LEU A 17 7.132 4.345 -8.398 1.00 0.00 C ATOM 206 C LEU A 17 8.301 5.281 -8.165 1.00 0.00 C ATOM 207 O LEU A 17 8.907 5.283 -7.091 1.00 0.00 O ATOM 208 CB LEU A 17 5.811 5.128 -8.409 1.00 0.00 C ATOM 209 CG LEU A 17 5.275 5.563 -7.047 1.00 0.00 C ATOM 210 CD1 LEU A 17 4.377 6.770 -7.207 1.00 0.00 C ATOM 211 CD2 LEU A 17 4.507 4.431 -6.383 1.00 0.00 C ATOM 0 H LEU A 17 6.955 3.618 -6.446 1.00 0.00 H new ATOM 0 HA LEU A 17 7.246 3.874 -9.375 1.00 0.00 H new ATOM 0 HB2 LEU A 17 5.945 6.017 -9.025 1.00 0.00 H new ATOM 0 HB3 LEU A 17 5.053 4.514 -8.896 1.00 0.00 H new ATOM 0 HG LEU A 17 6.121 5.825 -6.412 1.00 0.00 H new ATOM 0 HD11 LEU A 17 3.999 7.074 -6.231 1.00 0.00 H new ATOM 0 HD12 LEU A 17 4.944 7.590 -7.648 1.00 0.00 H new ATOM 0 HD13 LEU A 17 3.540 6.517 -7.858 1.00 0.00 H new ATOM 0 HD21 LEU A 17 4.134 4.763 -5.414 1.00 0.00 H new ATOM 0 HD22 LEU A 17 3.667 4.141 -7.015 1.00 0.00 H new ATOM 0 HD23 LEU A 17 5.168 3.576 -6.243 1.00 0.00 H new ATOM 223 N GLU A 18 8.594 6.090 -9.164 1.00 0.00 N ATOM 224 CA GLU A 18 9.802 6.892 -9.168 1.00 0.00 C ATOM 225 C GLU A 18 9.444 8.360 -9.242 1.00 0.00 C ATOM 226 O GLU A 18 8.439 8.729 -9.848 1.00 0.00 O ATOM 227 CB GLU A 18 10.680 6.506 -10.356 1.00 0.00 C ATOM 228 CG GLU A 18 10.965 5.017 -10.436 1.00 0.00 C ATOM 229 CD GLU A 18 11.828 4.656 -11.621 1.00 0.00 C ATOM 230 OE1 GLU A 18 11.337 4.744 -12.769 1.00 0.00 O ATOM 231 OE2 GLU A 18 13.003 4.291 -11.411 1.00 0.00 O ATOM 0 H GLU A 18 8.007 6.210 -9.990 1.00 0.00 H new ATOM 0 HA GLU A 18 10.355 6.708 -8.247 1.00 0.00 H new ATOM 0 HB2 GLU A 18 10.193 6.825 -11.277 1.00 0.00 H new ATOM 0 HB3 GLU A 18 11.624 7.046 -10.291 1.00 0.00 H new ATOM 0 HG2 GLU A 18 11.459 4.695 -9.519 1.00 0.00 H new ATOM 0 HG3 GLU A 18 10.023 4.473 -10.498 1.00 0.00 H new ATOM 238 N LYS A 19 10.259 9.189 -8.618 1.00 0.00 N ATOM 239 CA LYS A 19 9.993 10.613 -8.560 1.00 0.00 C ATOM 240 C LYS A 19 10.224 11.261 -9.917 1.00 0.00 C ATOM 241 O LYS A 19 11.365 11.412 -10.358 1.00 0.00 O ATOM 242 CB LYS A 19 10.880 11.289 -7.516 1.00 0.00 C ATOM 243 CG LYS A 19 10.373 12.657 -7.091 1.00 0.00 C ATOM 244 CD LYS A 19 11.486 13.505 -6.501 1.00 0.00 C ATOM 245 CE LYS A 19 12.426 14.005 -7.584 1.00 0.00 C ATOM 246 NZ LYS A 19 13.506 14.863 -7.031 1.00 0.00 N ATOM 0 H LYS A 19 11.114 8.899 -8.143 1.00 0.00 H new ATOM 0 HA LYS A 19 8.949 10.743 -8.277 1.00 0.00 H new ATOM 0 HB2 LYS A 19 10.950 10.647 -6.638 1.00 0.00 H new ATOM 0 HB3 LYS A 19 11.888 11.392 -7.917 1.00 0.00 H new ATOM 0 HG2 LYS A 19 9.941 13.169 -7.951 1.00 0.00 H new ATOM 0 HG3 LYS A 19 9.576 12.539 -6.357 1.00 0.00 H new ATOM 0 HD2 LYS A 19 11.057 14.353 -5.968 1.00 0.00 H new ATOM 0 HD3 LYS A 19 12.046 12.920 -5.771 1.00 0.00 H new ATOM 0 HE2 LYS A 19 12.868 13.154 -8.101 1.00 0.00 H new ATOM 0 HE3 LYS A 19 11.859 14.569 -8.325 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 14.125 15.183 -7.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 13.086 15.689 -6.559 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 14.064 14.318 -6.343 1.00 0.00 H new ATOM 260 N GLY A 20 9.138 11.634 -10.571 1.00 0.00 N ATOM 261 CA GLY A 20 9.231 12.336 -11.831 1.00 0.00 C ATOM 262 C GLY A 20 9.266 13.838 -11.628 1.00 0.00 C ATOM 263 O GLY A 20 9.500 14.306 -10.511 1.00 0.00 O ATOM 0 H GLY A 20 8.186 11.461 -10.249 1.00 0.00 H new ATOM 0 HA2 GLY A 20 10.129 12.018 -12.360 1.00 0.00 H new ATOM 0 HA3 GLY A 20 8.380 12.072 -12.459 1.00 0.00 H new ATOM 267 N PRO A 21 9.019 14.626 -12.684 1.00 0.00 N ATOM 268 CA PRO A 21 9.052 16.091 -12.606 1.00 0.00 C ATOM 269 C PRO A 21 8.018 16.653 -11.633 1.00 0.00 C ATOM 270 O PRO A 21 8.207 17.730 -11.067 1.00 0.00 O ATOM 271 CB PRO A 21 8.743 16.543 -14.039 1.00 0.00 C ATOM 272 CG PRO A 21 8.108 15.366 -14.695 1.00 0.00 C ATOM 273 CD PRO A 21 8.703 14.153 -14.041 1.00 0.00 C ATOM 0 HA PRO A 21 10.012 16.449 -12.233 1.00 0.00 H new ATOM 0 HB2 PRO A 21 8.075 17.404 -14.044 1.00 0.00 H new ATOM 0 HB3 PRO A 21 9.652 16.842 -14.562 1.00 0.00 H new ATOM 0 HG2 PRO A 21 7.026 15.386 -14.568 1.00 0.00 H new ATOM 0 HG3 PRO A 21 8.303 15.366 -15.767 1.00 0.00 H new ATOM 0 HD2 PRO A 21 8.001 13.319 -14.024 1.00 0.00 H new ATOM 0 HD3 PRO A 21 9.594 13.809 -14.566 1.00 0.00 H new ATOM 281 N ASN A 22 6.932 15.917 -11.428 1.00 0.00 N ATOM 282 CA ASN A 22 5.861 16.368 -10.545 1.00 0.00 C ATOM 283 C ASN A 22 5.782 15.484 -9.310 1.00 0.00 C ATOM 284 O ASN A 22 4.729 15.353 -8.684 1.00 0.00 O ATOM 285 CB ASN A 22 4.518 16.363 -11.282 1.00 0.00 C ATOM 286 CG ASN A 22 4.548 17.206 -12.542 1.00 0.00 C ATOM 287 OD1 ASN A 22 4.290 18.409 -12.507 1.00 0.00 O ATOM 288 ND2 ASN A 22 4.866 16.577 -13.665 1.00 0.00 N ATOM 0 H ASN A 22 6.769 15.007 -11.860 1.00 0.00 H new ATOM 0 HA ASN A 22 6.083 17.388 -10.232 1.00 0.00 H new ATOM 0 HB2 ASN A 22 4.252 15.338 -11.540 1.00 0.00 H new ATOM 0 HB3 ASN A 22 3.740 16.737 -10.616 1.00 0.00 H new ATOM 0 HD21 ASN A 22 4.904 17.092 -14.545 1.00 0.00 H new ATOM 0 HD22 ASN A 22 5.073 15.578 -13.649 1.00 0.00 H new ATOM 295 N GLY A 23 6.903 14.871 -8.963 1.00 0.00 N ATOM 296 CA GLY A 23 6.944 14.012 -7.803 1.00 0.00 C ATOM 297 C GLY A 23 6.444 12.619 -8.113 1.00 0.00 C ATOM 298 O GLY A 23 7.134 11.838 -8.760 1.00 0.00 O ATOM 0 H GLY A 23 7.786 14.955 -9.467 1.00 0.00 H new ATOM 0 HA2 GLY A 23 7.966 13.956 -7.429 1.00 0.00 H new ATOM 0 HA3 GLY A 23 6.338 14.447 -7.008 1.00 0.00 H new ATOM 302 N TYR A 24 5.236 12.303 -7.671 1.00 0.00 N ATOM 303 CA TYR A 24 4.693 10.965 -7.880 1.00 0.00 C ATOM 304 C TYR A 24 3.272 11.014 -8.435 1.00 0.00 C ATOM 305 O TYR A 24 2.922 10.241 -9.322 1.00 0.00 O ATOM 306 CB TYR A 24 4.737 10.153 -6.585 1.00 0.00 C ATOM 307 CG TYR A 24 6.127 10.013 -6.005 1.00 0.00 C ATOM 308 CD1 TYR A 24 7.006 9.060 -6.501 1.00 0.00 C ATOM 309 CD2 TYR A 24 6.564 10.835 -4.973 1.00 0.00 C ATOM 310 CE1 TYR A 24 8.279 8.928 -5.988 1.00 0.00 C ATOM 311 CE2 TYR A 24 7.838 10.708 -4.454 1.00 0.00 C ATOM 312 CZ TYR A 24 8.692 9.753 -4.966 1.00 0.00 C ATOM 313 OH TYR A 24 9.964 9.627 -4.456 1.00 0.00 O ATOM 0 H TYR A 24 4.619 12.943 -7.172 1.00 0.00 H new ATOM 0 HA TYR A 24 5.320 10.470 -8.621 1.00 0.00 H new ATOM 0 HB2 TYR A 24 4.090 10.627 -5.847 1.00 0.00 H new ATOM 0 HB3 TYR A 24 4.330 9.160 -6.775 1.00 0.00 H new ATOM 0 HD1 TYR A 24 6.687 8.411 -7.303 1.00 0.00 H new ATOM 0 HD2 TYR A 24 5.898 11.584 -4.571 1.00 0.00 H new ATOM 0 HE1 TYR A 24 8.949 8.181 -6.386 1.00 0.00 H new ATOM 0 HE2 TYR A 24 8.164 11.353 -3.651 1.00 0.00 H new ATOM 0 HH TYR A 24 10.097 10.284 -3.741 1.00 0.00 H new ATOM 323 N GLY A 25 2.459 11.919 -7.897 1.00 0.00 N ATOM 324 CA GLY A 25 1.152 12.180 -8.477 1.00 0.00 C ATOM 325 C GLY A 25 0.023 11.360 -7.875 1.00 0.00 C ATOM 326 O GLY A 25 -0.842 10.874 -8.598 1.00 0.00 O ATOM 0 H GLY A 25 2.681 12.475 -7.071 1.00 0.00 H new ATOM 0 HA2 GLY A 25 0.920 13.238 -8.358 1.00 0.00 H new ATOM 0 HA3 GLY A 25 1.197 11.982 -9.548 1.00 0.00 H new ATOM 330 N PHE A 26 0.004 11.220 -6.559 1.00 0.00 N ATOM 331 CA PHE A 26 -1.074 10.495 -5.892 1.00 0.00 C ATOM 332 C PHE A 26 -1.573 11.285 -4.691 1.00 0.00 C ATOM 333 O PHE A 26 -0.871 12.153 -4.174 1.00 0.00 O ATOM 334 CB PHE A 26 -0.601 9.099 -5.459 1.00 0.00 C ATOM 335 CG PHE A 26 0.456 9.109 -4.388 1.00 0.00 C ATOM 336 CD1 PHE A 26 1.783 9.358 -4.702 1.00 0.00 C ATOM 337 CD2 PHE A 26 0.118 8.867 -3.067 1.00 0.00 C ATOM 338 CE1 PHE A 26 2.752 9.365 -3.718 1.00 0.00 C ATOM 339 CE2 PHE A 26 1.084 8.873 -2.079 1.00 0.00 C ATOM 340 CZ PHE A 26 2.402 9.123 -2.406 1.00 0.00 C ATOM 0 H PHE A 26 0.716 11.595 -5.932 1.00 0.00 H new ATOM 0 HA PHE A 26 -1.897 10.372 -6.596 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -1.460 8.532 -5.100 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -0.213 8.573 -6.331 1.00 0.00 H new ATOM 0 HD1 PHE A 26 2.062 9.549 -5.728 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -0.912 8.671 -2.806 1.00 0.00 H new ATOM 0 HE1 PHE A 26 3.783 9.560 -3.976 1.00 0.00 H new ATOM 0 HE2 PHE A 26 0.808 8.682 -1.052 1.00 0.00 H new ATOM 0 HZ PHE A 26 3.158 9.129 -1.635 1.00 0.00 H new ATOM 350 N HIS A 27 -2.794 10.997 -4.268 1.00 0.00 N ATOM 351 CA HIS A 27 -3.403 11.700 -3.147 1.00 0.00 C ATOM 352 C HIS A 27 -3.929 10.702 -2.125 1.00 0.00 C ATOM 353 O HIS A 27 -4.439 9.642 -2.492 1.00 0.00 O ATOM 354 CB HIS A 27 -4.548 12.601 -3.622 1.00 0.00 C ATOM 355 CG HIS A 27 -4.143 13.641 -4.624 1.00 0.00 C ATOM 356 ND1 HIS A 27 -3.929 14.962 -4.302 1.00 0.00 N ATOM 357 CD2 HIS A 27 -3.935 13.545 -5.957 1.00 0.00 C ATOM 358 CE1 HIS A 27 -3.609 15.630 -5.395 1.00 0.00 C ATOM 359 NE2 HIS A 27 -3.607 14.795 -6.415 1.00 0.00 N ATOM 0 H HIS A 27 -3.386 10.279 -4.685 1.00 0.00 H new ATOM 0 HA HIS A 27 -2.638 12.324 -2.684 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -5.328 11.977 -4.059 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -4.986 13.099 -2.757 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -4.013 12.647 -6.552 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -3.386 16.686 -5.445 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -3.397 15.038 -7.383 1.00 0.00 H new ATOM 368 N LEU A 28 -3.820 11.049 -0.850 1.00 0.00 N ATOM 369 CA LEU A 28 -4.209 10.148 0.231 1.00 0.00 C ATOM 370 C LEU A 28 -5.224 10.790 1.161 1.00 0.00 C ATOM 371 O LEU A 28 -5.324 12.014 1.249 1.00 0.00 O ATOM 372 CB LEU A 28 -2.988 9.726 1.041 1.00 0.00 C ATOM 373 CG LEU A 28 -2.066 8.739 0.342 1.00 0.00 C ATOM 374 CD1 LEU A 28 -0.692 8.760 0.992 1.00 0.00 C ATOM 375 CD2 LEU A 28 -2.647 7.336 0.388 1.00 0.00 C ATOM 0 H LEU A 28 -3.464 11.952 -0.536 1.00 0.00 H new ATOM 0 HA LEU A 28 -4.666 9.273 -0.231 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -2.415 10.617 1.298 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -3.327 9.284 1.978 1.00 0.00 H new ATOM 0 HG LEU A 28 -1.969 9.036 -0.702 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -0.039 8.050 0.485 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -0.269 9.761 0.916 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -0.782 8.484 2.042 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -1.972 6.646 -0.118 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -2.771 7.027 1.426 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -3.616 7.327 -0.111 1.00 0.00 H new ATOM 387 N HIS A 29 -5.987 9.947 1.835 1.00 0.00 N ATOM 388 CA HIS A 29 -6.900 10.397 2.873 1.00 0.00 C ATOM 389 C HIS A 29 -6.875 9.418 4.033 1.00 0.00 C ATOM 390 O HIS A 29 -6.817 8.202 3.831 1.00 0.00 O ATOM 391 CB HIS A 29 -8.336 10.550 2.345 1.00 0.00 C ATOM 392 CG HIS A 29 -8.928 9.291 1.791 1.00 0.00 C ATOM 393 ND1 HIS A 29 -10.099 8.729 2.251 1.00 0.00 N ATOM 394 CD2 HIS A 29 -8.510 8.505 0.777 1.00 0.00 C ATOM 395 CE1 HIS A 29 -10.379 7.656 1.538 1.00 0.00 C ATOM 396 NE2 HIS A 29 -9.432 7.495 0.634 1.00 0.00 N ATOM 0 H HIS A 29 -5.992 8.939 1.681 1.00 0.00 H new ATOM 0 HA HIS A 29 -6.568 11.379 3.210 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -8.971 10.911 3.154 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -8.345 11.314 1.568 1.00 0.00 H new ATOM 0 HD1 HIS A 29 -10.661 9.087 3.023 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -7.616 8.644 0.187 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -11.239 7.016 1.672 1.00 0.00 H new ATOM 405 N GLY A 30 -6.894 9.959 5.231 1.00 0.00 N ATOM 406 CA GLY A 30 -6.933 9.143 6.423 1.00 0.00 C ATOM 407 C GLY A 30 -8.305 9.165 7.053 1.00 0.00 C ATOM 408 O GLY A 30 -8.787 10.221 7.468 1.00 0.00 O ATOM 0 H GLY A 30 -6.883 10.964 5.405 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -6.660 8.117 6.174 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -6.195 9.504 7.139 1.00 0.00 H new ATOM 412 N GLU A 31 -8.938 8.007 7.115 1.00 0.00 N ATOM 413 CA GLU A 31 -10.302 7.910 7.606 1.00 0.00 C ATOM 414 C GLU A 31 -10.358 8.052 9.120 1.00 0.00 C ATOM 415 O GLU A 31 -9.564 7.450 9.845 1.00 0.00 O ATOM 416 CB GLU A 31 -10.927 6.590 7.166 1.00 0.00 C ATOM 417 CG GLU A 31 -11.178 6.520 5.668 1.00 0.00 C ATOM 418 CD GLU A 31 -12.041 7.668 5.178 1.00 0.00 C ATOM 419 OE1 GLU A 31 -13.273 7.623 5.385 1.00 0.00 O ATOM 420 OE2 GLU A 31 -11.495 8.630 4.588 1.00 0.00 O ATOM 0 H GLU A 31 -8.528 7.117 6.830 1.00 0.00 H new ATOM 0 HA GLU A 31 -10.875 8.732 7.177 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -10.272 5.769 7.457 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -11.870 6.447 7.694 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -10.224 6.533 5.140 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -11.663 5.574 5.426 1.00 0.00 H new ATOM 427 N LYS A 32 -11.311 8.856 9.579 1.00 0.00 N ATOM 428 CA LYS A 32 -11.487 9.140 10.995 1.00 0.00 C ATOM 429 C LYS A 32 -11.761 7.863 11.776 1.00 0.00 C ATOM 430 O LYS A 32 -12.838 7.272 11.675 1.00 0.00 O ATOM 431 CB LYS A 32 -12.632 10.134 11.191 1.00 0.00 C ATOM 432 CG LYS A 32 -13.003 10.353 12.645 1.00 0.00 C ATOM 433 CD LYS A 32 -14.146 11.337 12.784 1.00 0.00 C ATOM 434 CE LYS A 32 -14.680 11.361 14.204 1.00 0.00 C ATOM 435 NZ LYS A 32 -15.288 10.057 14.581 1.00 0.00 N ATOM 0 H LYS A 32 -11.984 9.329 8.976 1.00 0.00 H new ATOM 0 HA LYS A 32 -10.564 9.579 11.374 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -12.352 11.090 10.748 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -13.509 9.777 10.651 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -13.283 9.402 13.097 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -12.135 10.722 13.191 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -13.807 12.334 12.503 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -14.947 11.067 12.096 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -13.870 11.599 14.894 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -15.424 12.152 14.301 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -15.927 10.193 15.390 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -15.825 9.679 13.775 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -14.537 9.386 14.842 1.00 0.00 H new ATOM 449 N GLY A 33 -10.779 7.444 12.551 1.00 0.00 N ATOM 450 CA GLY A 33 -10.900 6.229 13.319 1.00 0.00 C ATOM 451 C GLY A 33 -9.743 5.299 13.051 1.00 0.00 C ATOM 452 O GLY A 33 -9.312 4.555 13.933 1.00 0.00 O ATOM 0 H GLY A 33 -9.890 7.931 12.663 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -10.939 6.469 14.381 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -11.837 5.730 13.071 1.00 0.00 H new ATOM 456 N LYS A 34 -9.225 5.356 11.832 1.00 0.00 N ATOM 457 CA LYS A 34 -8.099 4.524 11.440 1.00 0.00 C ATOM 458 C LYS A 34 -6.864 5.383 11.254 1.00 0.00 C ATOM 459 O LYS A 34 -6.957 6.598 11.060 1.00 0.00 O ATOM 460 CB LYS A 34 -8.373 3.759 10.137 1.00 0.00 C ATOM 461 CG LYS A 34 -9.483 2.715 10.221 1.00 0.00 C ATOM 462 CD LYS A 34 -10.862 3.348 10.316 1.00 0.00 C ATOM 463 CE LYS A 34 -11.958 2.298 10.339 1.00 0.00 C ATOM 464 NZ LYS A 34 -13.295 2.903 10.567 1.00 0.00 N ATOM 0 H LYS A 34 -9.569 5.973 11.096 1.00 0.00 H new ATOM 0 HA LYS A 34 -7.942 3.797 12.236 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -8.630 4.478 9.359 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -7.453 3.265 9.824 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -9.441 2.071 9.343 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -9.316 2.079 11.091 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -10.922 3.957 11.218 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -11.015 4.016 9.469 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -11.961 1.755 9.394 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -11.749 1.571 11.124 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -14.018 2.155 10.576 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -13.300 3.400 11.480 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -13.505 3.578 9.804 1.00 0.00 H new ATOM 478 N LEU A 35 -5.715 4.744 11.315 1.00 0.00 N ATOM 479 CA LEU A 35 -4.449 5.421 11.103 1.00 0.00 C ATOM 480 C LEU A 35 -3.875 5.043 9.743 1.00 0.00 C ATOM 481 O LEU A 35 -2.851 5.571 9.312 1.00 0.00 O ATOM 482 CB LEU A 35 -3.465 5.101 12.243 1.00 0.00 C ATOM 483 CG LEU A 35 -3.379 3.629 12.689 1.00 0.00 C ATOM 484 CD1 LEU A 35 -2.758 2.758 11.608 1.00 0.00 C ATOM 485 CD2 LEU A 35 -2.581 3.512 13.979 1.00 0.00 C ATOM 0 H LEU A 35 -5.630 3.747 11.512 1.00 0.00 H new ATOM 0 HA LEU A 35 -4.617 6.498 11.110 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -2.470 5.422 11.934 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -3.740 5.704 13.109 1.00 0.00 H new ATOM 0 HG LEU A 35 -4.395 3.275 12.865 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -2.712 1.726 11.954 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -3.366 2.811 10.705 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -1.751 3.113 11.389 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -2.529 2.466 14.281 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -1.573 3.894 13.819 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -3.069 4.092 14.762 1.00 0.00 H new ATOM 497 N GLY A 36 -4.566 4.134 9.066 1.00 0.00 N ATOM 498 CA GLY A 36 -4.135 3.693 7.760 1.00 0.00 C ATOM 499 C GLY A 36 -4.616 4.635 6.685 1.00 0.00 C ATOM 500 O GLY A 36 -5.689 5.231 6.811 1.00 0.00 O ATOM 0 H GLY A 36 -5.422 3.694 9.404 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -3.047 3.631 7.734 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -4.516 2.690 7.567 1.00 0.00 H new ATOM 504 N GLN A 37 -3.842 4.776 5.627 1.00 0.00 N ATOM 505 CA GLN A 37 -4.174 5.723 4.580 1.00 0.00 C ATOM 506 C GLN A 37 -4.746 4.992 3.379 1.00 0.00 C ATOM 507 O GLN A 37 -4.453 3.820 3.154 1.00 0.00 O ATOM 508 CB GLN A 37 -2.938 6.526 4.165 1.00 0.00 C ATOM 509 CG GLN A 37 -2.295 7.311 5.300 1.00 0.00 C ATOM 510 CD GLN A 37 -3.267 8.235 6.006 1.00 0.00 C ATOM 511 OE1 GLN A 37 -3.481 9.370 5.581 1.00 0.00 O ATOM 512 NE2 GLN A 37 -3.835 7.768 7.105 1.00 0.00 N ATOM 0 H GLN A 37 -2.983 4.250 5.469 1.00 0.00 H new ATOM 0 HA GLN A 37 -4.922 6.415 4.966 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -2.199 5.843 3.746 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -3.218 7.219 3.372 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -1.874 6.613 6.024 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -1.466 7.898 4.904 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -3.630 6.821 7.422 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -4.478 8.355 7.636 1.00 0.00 H new ATOM 521 N TYR A 38 -5.581 5.674 2.621 1.00 0.00 N ATOM 522 CA TYR A 38 -6.191 5.084 1.443 1.00 0.00 C ATOM 523 C TYR A 38 -5.935 5.972 0.234 1.00 0.00 C ATOM 524 O TYR A 38 -5.889 7.199 0.365 1.00 0.00 O ATOM 525 CB TYR A 38 -7.696 4.903 1.665 1.00 0.00 C ATOM 526 CG TYR A 38 -8.044 4.071 2.885 1.00 0.00 C ATOM 527 CD1 TYR A 38 -8.158 4.654 4.144 1.00 0.00 C ATOM 528 CD2 TYR A 38 -8.258 2.703 2.778 1.00 0.00 C ATOM 529 CE1 TYR A 38 -8.474 3.897 5.258 1.00 0.00 C ATOM 530 CE2 TYR A 38 -8.576 1.941 3.886 1.00 0.00 C ATOM 531 CZ TYR A 38 -8.682 2.541 5.124 1.00 0.00 C ATOM 532 OH TYR A 38 -9.001 1.782 6.229 1.00 0.00 O ATOM 0 H TYR A 38 -5.854 6.640 2.799 1.00 0.00 H new ATOM 0 HA TYR A 38 -5.748 4.105 1.261 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -8.159 5.885 1.763 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -8.129 4.433 0.782 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -7.997 5.716 4.253 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -8.174 2.227 1.812 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -8.557 4.366 6.227 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -8.741 0.879 3.783 1.00 0.00 H new ATOM 0 HH TYR A 38 -9.116 0.846 5.961 1.00 0.00 H new ATOM 542 N ILE A 39 -5.746 5.358 -0.929 1.00 0.00 N ATOM 543 CA ILE A 39 -5.513 6.106 -2.161 1.00 0.00 C ATOM 544 C ILE A 39 -6.797 6.802 -2.597 1.00 0.00 C ATOM 545 O ILE A 39 -7.810 6.148 -2.842 1.00 0.00 O ATOM 546 CB ILE A 39 -5.036 5.187 -3.308 1.00 0.00 C ATOM 547 CG1 ILE A 39 -3.766 4.420 -2.918 1.00 0.00 C ATOM 548 CG2 ILE A 39 -4.794 6.003 -4.574 1.00 0.00 C ATOM 549 CD1 ILE A 39 -2.505 5.258 -2.947 1.00 0.00 C ATOM 0 H ILE A 39 -5.749 4.345 -1.045 1.00 0.00 H new ATOM 0 HA ILE A 39 -4.733 6.838 -1.953 1.00 0.00 H new ATOM 0 HB ILE A 39 -5.822 4.457 -3.501 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -3.895 4.011 -1.916 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -3.643 3.574 -3.594 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -4.458 5.343 -5.374 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -5.720 6.494 -4.873 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -4.030 6.756 -4.381 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -1.653 4.643 -2.659 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -2.349 5.646 -3.954 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -2.605 6.089 -2.249 1.00 0.00 H new ATOM 561 N ARG A 40 -6.753 8.123 -2.689 1.00 0.00 N ATOM 562 CA ARG A 40 -7.932 8.897 -3.049 1.00 0.00 C ATOM 563 C ARG A 40 -7.927 9.201 -4.538 1.00 0.00 C ATOM 564 O ARG A 40 -8.930 9.020 -5.222 1.00 0.00 O ATOM 565 CB ARG A 40 -7.975 10.204 -2.254 1.00 0.00 C ATOM 566 CG ARG A 40 -9.382 10.672 -1.904 1.00 0.00 C ATOM 567 CD ARG A 40 -10.202 11.040 -3.132 1.00 0.00 C ATOM 568 NE ARG A 40 -9.738 12.275 -3.769 1.00 0.00 N ATOM 569 CZ ARG A 40 -10.485 13.008 -4.593 1.00 0.00 C ATOM 570 NH1 ARG A 40 -11.728 12.642 -4.876 1.00 0.00 N ATOM 571 NH2 ARG A 40 -9.995 14.113 -5.135 1.00 0.00 N ATOM 0 H ARG A 40 -5.916 8.680 -2.520 1.00 0.00 H new ATOM 0 HA ARG A 40 -8.817 8.308 -2.809 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -7.407 10.076 -1.333 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -7.477 10.984 -2.830 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -9.895 9.885 -1.352 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -9.319 11.536 -1.242 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -10.156 10.224 -3.853 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -11.248 11.154 -2.846 1.00 0.00 H new ATOM 0 HE ARG A 40 -8.789 12.592 -3.570 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -12.117 11.795 -4.462 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -12.295 13.208 -5.508 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -9.042 14.406 -4.922 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -10.571 14.671 -5.765 1.00 0.00 H new ATOM 585 N LEU A 41 -6.789 9.658 -5.037 1.00 0.00 N ATOM 586 CA LEU A 41 -6.686 10.041 -6.434 1.00 0.00 C ATOM 587 C LEU A 41 -5.306 9.751 -6.985 1.00 0.00 C ATOM 588 O LEU A 41 -4.310 9.791 -6.259 1.00 0.00 O ATOM 589 CB LEU A 41 -6.983 11.531 -6.613 1.00 0.00 C ATOM 590 CG LEU A 41 -7.031 11.998 -8.070 1.00 0.00 C ATOM 591 CD1 LEU A 41 -8.449 11.939 -8.604 1.00 0.00 C ATOM 592 CD2 LEU A 41 -6.450 13.395 -8.212 1.00 0.00 C ATOM 0 H LEU A 41 -5.930 9.772 -4.499 1.00 0.00 H new ATOM 0 HA LEU A 41 -7.421 9.451 -6.981 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -7.939 11.757 -6.140 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -6.222 12.106 -6.085 1.00 0.00 H new ATOM 0 HG LEU A 41 -6.418 11.321 -8.665 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -8.462 12.275 -9.641 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -8.816 10.914 -8.550 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -9.090 12.586 -8.005 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -6.496 13.704 -9.256 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -7.025 14.092 -7.602 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -5.412 13.393 -7.879 1.00 0.00 H new ATOM 604 N VAL A 42 -5.264 9.456 -8.271 1.00 0.00 N ATOM 605 CA VAL A 42 -4.021 9.309 -8.994 1.00 0.00 C ATOM 606 C VAL A 42 -4.016 10.265 -10.179 1.00 0.00 C ATOM 607 O VAL A 42 -4.892 10.194 -11.043 1.00 0.00 O ATOM 608 CB VAL A 42 -3.818 7.864 -9.491 1.00 0.00 C ATOM 609 CG1 VAL A 42 -2.500 7.739 -10.230 1.00 0.00 C ATOM 610 CG2 VAL A 42 -3.874 6.877 -8.335 1.00 0.00 C ATOM 0 H VAL A 42 -6.096 9.312 -8.843 1.00 0.00 H new ATOM 0 HA VAL A 42 -3.201 9.544 -8.315 1.00 0.00 H new ATOM 0 HB VAL A 42 -4.629 7.626 -10.179 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -2.372 6.713 -10.574 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -2.498 8.412 -11.087 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -1.681 8.002 -9.560 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -3.728 5.865 -8.713 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -3.089 7.113 -7.617 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -4.846 6.945 -7.846 1.00 0.00 H new ATOM 620 N GLU A 43 -3.045 11.167 -10.202 1.00 0.00 N ATOM 621 CA GLU A 43 -2.939 12.158 -11.264 1.00 0.00 C ATOM 622 C GLU A 43 -2.673 11.458 -12.590 1.00 0.00 C ATOM 623 O GLU A 43 -1.812 10.586 -12.669 1.00 0.00 O ATOM 624 CB GLU A 43 -1.806 13.142 -10.959 1.00 0.00 C ATOM 625 CG GLU A 43 -2.011 13.948 -9.686 1.00 0.00 C ATOM 626 CD GLU A 43 -3.027 15.058 -9.846 1.00 0.00 C ATOM 627 OE1 GLU A 43 -2.902 15.854 -10.800 1.00 0.00 O ATOM 628 OE2 GLU A 43 -3.934 15.162 -8.998 1.00 0.00 O ATOM 0 H GLU A 43 -2.315 11.233 -9.493 1.00 0.00 H new ATOM 0 HA GLU A 43 -3.876 12.712 -11.328 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -0.870 12.589 -10.880 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -1.700 13.829 -11.798 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -2.334 13.280 -8.888 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -1.058 14.377 -9.377 1.00 0.00 H new ATOM 635 N PRO A 44 -3.414 11.806 -13.644 1.00 0.00 N ATOM 636 CA PRO A 44 -3.252 11.168 -14.942 1.00 0.00 C ATOM 637 C PRO A 44 -1.945 11.569 -15.609 1.00 0.00 C ATOM 638 O PRO A 44 -1.657 12.754 -15.799 1.00 0.00 O ATOM 639 CB PRO A 44 -4.452 11.647 -15.759 1.00 0.00 C ATOM 640 CG PRO A 44 -5.322 12.408 -14.815 1.00 0.00 C ATOM 641 CD PRO A 44 -4.453 12.838 -13.667 1.00 0.00 C ATOM 0 HA PRO A 44 -3.212 10.082 -14.855 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -4.132 12.278 -16.588 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -4.991 10.803 -16.191 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -5.764 13.273 -15.310 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -6.146 11.787 -14.464 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -4.033 13.831 -13.827 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -5.009 12.874 -12.730 1.00 0.00 H new ATOM 649 N GLY A 45 -1.157 10.568 -15.943 1.00 0.00 N ATOM 650 CA GLY A 45 0.142 10.794 -16.539 1.00 0.00 C ATOM 651 C GLY A 45 1.250 10.800 -15.504 1.00 0.00 C ATOM 652 O GLY A 45 2.322 11.363 -15.731 1.00 0.00 O ATOM 0 H GLY A 45 -1.396 9.585 -15.811 1.00 0.00 H new ATOM 0 HA2 GLY A 45 0.341 10.018 -17.278 1.00 0.00 H new ATOM 0 HA3 GLY A 45 0.137 11.746 -17.069 1.00 0.00 H new ATOM 656 N SER A 46 0.993 10.180 -14.364 1.00 0.00 N ATOM 657 CA SER A 46 1.970 10.119 -13.292 1.00 0.00 C ATOM 658 C SER A 46 2.609 8.734 -13.227 1.00 0.00 C ATOM 659 O SER A 46 2.041 7.754 -13.715 1.00 0.00 O ATOM 660 CB SER A 46 1.286 10.437 -11.963 1.00 0.00 C ATOM 661 OG SER A 46 0.290 9.476 -11.663 1.00 0.00 O ATOM 0 H SER A 46 0.111 9.710 -14.158 1.00 0.00 H new ATOM 0 HA SER A 46 2.753 10.852 -13.486 1.00 0.00 H new ATOM 0 HB2 SER A 46 2.027 10.459 -11.164 1.00 0.00 H new ATOM 0 HB3 SER A 46 0.837 11.429 -12.009 1.00 0.00 H new ATOM 0 HG SER A 46 -0.560 9.748 -12.068 1.00 0.00 H new ATOM 667 N PRO A 47 3.809 8.637 -12.626 1.00 0.00 N ATOM 668 CA PRO A 47 4.476 7.352 -12.397 1.00 0.00 C ATOM 669 C PRO A 47 3.689 6.472 -11.428 1.00 0.00 C ATOM 670 O PRO A 47 3.926 5.267 -11.332 1.00 0.00 O ATOM 671 CB PRO A 47 5.831 7.745 -11.797 1.00 0.00 C ATOM 672 CG PRO A 47 5.630 9.116 -11.250 1.00 0.00 C ATOM 673 CD PRO A 47 4.616 9.771 -12.143 1.00 0.00 C ATOM 0 HA PRO A 47 4.567 6.766 -13.312 1.00 0.00 H new ATOM 0 HB2 PRO A 47 6.133 7.049 -11.015 1.00 0.00 H new ATOM 0 HB3 PRO A 47 6.615 7.733 -12.554 1.00 0.00 H new ATOM 0 HG2 PRO A 47 5.276 9.077 -10.220 1.00 0.00 H new ATOM 0 HG3 PRO A 47 6.565 9.676 -11.245 1.00 0.00 H new ATOM 0 HD2 PRO A 47 4.009 10.495 -11.599 1.00 0.00 H new ATOM 0 HD3 PRO A 47 5.090 10.307 -12.965 1.00 0.00 H new ATOM 681 N ALA A 48 2.739 7.081 -10.725 1.00 0.00 N ATOM 682 CA ALA A 48 1.883 6.357 -9.799 1.00 0.00 C ATOM 683 C ALA A 48 0.984 5.385 -10.557 1.00 0.00 C ATOM 684 O ALA A 48 0.777 4.246 -10.125 1.00 0.00 O ATOM 685 CB ALA A 48 1.049 7.331 -8.981 1.00 0.00 C ATOM 0 H ALA A 48 2.544 8.081 -10.782 1.00 0.00 H new ATOM 0 HA ALA A 48 2.511 5.784 -9.117 1.00 0.00 H new ATOM 0 HB1 ALA A 48 0.413 6.776 -8.292 1.00 0.00 H new ATOM 0 HB2 ALA A 48 1.709 7.989 -8.416 1.00 0.00 H new ATOM 0 HB3 ALA A 48 0.427 7.927 -9.649 1.00 0.00 H new ATOM 691 N GLU A 49 0.466 5.834 -11.700 1.00 0.00 N ATOM 692 CA GLU A 49 -0.366 4.988 -12.547 1.00 0.00 C ATOM 693 C GLU A 49 0.458 3.830 -13.090 1.00 0.00 C ATOM 694 O GLU A 49 -0.024 2.703 -13.196 1.00 0.00 O ATOM 695 CB GLU A 49 -0.951 5.780 -13.720 1.00 0.00 C ATOM 696 CG GLU A 49 -1.727 7.020 -13.315 1.00 0.00 C ATOM 697 CD GLU A 49 -2.572 7.567 -14.448 1.00 0.00 C ATOM 698 OE1 GLU A 49 -2.009 8.175 -15.380 1.00 0.00 O ATOM 699 OE2 GLU A 49 -3.802 7.366 -14.428 1.00 0.00 O ATOM 0 H GLU A 49 0.609 6.778 -12.058 1.00 0.00 H new ATOM 0 HA GLU A 49 -1.187 4.610 -11.938 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -0.139 6.075 -14.384 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -1.609 5.126 -14.292 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -2.370 6.782 -12.467 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -1.030 7.789 -12.981 1.00 0.00 H new ATOM 706 N LYS A 50 1.710 4.123 -13.413 1.00 0.00 N ATOM 707 CA LYS A 50 2.618 3.131 -13.978 1.00 0.00 C ATOM 708 C LYS A 50 2.977 2.067 -12.945 1.00 0.00 C ATOM 709 O LYS A 50 3.250 0.920 -13.291 1.00 0.00 O ATOM 710 CB LYS A 50 3.891 3.811 -14.494 1.00 0.00 C ATOM 711 CG LYS A 50 3.629 4.884 -15.541 1.00 0.00 C ATOM 712 CD LYS A 50 2.978 4.305 -16.786 1.00 0.00 C ATOM 713 CE LYS A 50 2.537 5.401 -17.739 1.00 0.00 C ATOM 714 NZ LYS A 50 1.868 4.850 -18.947 1.00 0.00 N ATOM 0 H LYS A 50 2.124 5.047 -13.293 1.00 0.00 H new ATOM 0 HA LYS A 50 2.111 2.643 -14.810 1.00 0.00 H new ATOM 0 HB2 LYS A 50 4.420 4.258 -13.653 1.00 0.00 H new ATOM 0 HB3 LYS A 50 4.550 3.054 -14.919 1.00 0.00 H new ATOM 0 HG2 LYS A 50 2.985 5.656 -15.119 1.00 0.00 H new ATOM 0 HG3 LYS A 50 4.568 5.366 -15.812 1.00 0.00 H new ATOM 0 HD2 LYS A 50 3.680 3.642 -17.291 1.00 0.00 H new ATOM 0 HD3 LYS A 50 2.117 3.700 -16.501 1.00 0.00 H new ATOM 0 HE2 LYS A 50 1.855 6.078 -17.223 1.00 0.00 H new ATOM 0 HE3 LYS A 50 3.403 5.990 -18.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 1.582 5.631 -19.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 2.526 4.224 -19.453 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 1.027 4.309 -18.662 1.00 0.00 H new ATOM 728 N ALA A 51 2.969 2.454 -11.676 1.00 0.00 N ATOM 729 CA ALA A 51 3.282 1.528 -10.596 1.00 0.00 C ATOM 730 C ALA A 51 2.086 0.641 -10.273 1.00 0.00 C ATOM 731 O ALA A 51 2.232 -0.427 -9.680 1.00 0.00 O ATOM 732 CB ALA A 51 3.725 2.293 -9.361 1.00 0.00 C ATOM 0 H ALA A 51 2.749 3.402 -11.370 1.00 0.00 H new ATOM 0 HA ALA A 51 4.099 0.885 -10.923 1.00 0.00 H new ATOM 0 HB1 ALA A 51 3.956 1.590 -8.561 1.00 0.00 H new ATOM 0 HB2 ALA A 51 4.613 2.880 -9.596 1.00 0.00 H new ATOM 0 HB3 ALA A 51 2.924 2.959 -9.039 1.00 0.00 H new ATOM 738 N GLY A 52 0.908 1.077 -10.695 1.00 0.00 N ATOM 739 CA GLY A 52 -0.292 0.302 -10.465 1.00 0.00 C ATOM 740 C GLY A 52 -1.063 0.770 -9.246 1.00 0.00 C ATOM 741 O GLY A 52 -1.668 -0.034 -8.544 1.00 0.00 O ATOM 0 H GLY A 52 0.763 1.955 -11.193 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -0.935 0.365 -11.343 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -0.024 -0.747 -10.340 1.00 0.00 H new ATOM 745 N LEU A 53 -1.030 2.068 -8.983 1.00 0.00 N ATOM 746 CA LEU A 53 -1.797 2.640 -7.884 1.00 0.00 C ATOM 747 C LEU A 53 -3.206 2.984 -8.342 1.00 0.00 C ATOM 748 O LEU A 53 -3.396 3.560 -9.417 1.00 0.00 O ATOM 749 CB LEU A 53 -1.108 3.889 -7.336 1.00 0.00 C ATOM 750 CG LEU A 53 0.205 3.636 -6.598 1.00 0.00 C ATOM 751 CD1 LEU A 53 0.821 4.953 -6.159 1.00 0.00 C ATOM 752 CD2 LEU A 53 -0.030 2.731 -5.397 1.00 0.00 C ATOM 0 H LEU A 53 -0.482 2.745 -9.514 1.00 0.00 H new ATOM 0 HA LEU A 53 -1.855 1.897 -7.089 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -0.915 4.571 -8.164 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -1.795 4.396 -6.659 1.00 0.00 H new ATOM 0 HG LEU A 53 0.898 3.137 -7.275 1.00 0.00 H new ATOM 0 HD11 LEU A 53 1.757 4.760 -5.634 1.00 0.00 H new ATOM 0 HD12 LEU A 53 1.017 5.573 -7.034 1.00 0.00 H new ATOM 0 HD13 LEU A 53 0.132 5.473 -5.493 1.00 0.00 H new ATOM 0 HD21 LEU A 53 0.914 2.559 -4.881 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -0.735 3.207 -4.715 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -0.438 1.778 -5.734 1.00 0.00 H new ATOM 764 N LEU A 54 -4.191 2.626 -7.534 1.00 0.00 N ATOM 765 CA LEU A 54 -5.579 2.920 -7.850 1.00 0.00 C ATOM 766 C LEU A 54 -6.311 3.445 -6.635 1.00 0.00 C ATOM 767 O LEU A 54 -5.951 3.144 -5.498 1.00 0.00 O ATOM 768 CB LEU A 54 -6.304 1.684 -8.378 1.00 0.00 C ATOM 769 CG LEU A 54 -5.943 1.277 -9.803 1.00 0.00 C ATOM 770 CD1 LEU A 54 -5.028 0.062 -9.802 1.00 0.00 C ATOM 771 CD2 LEU A 54 -7.207 1.011 -10.599 1.00 0.00 C ATOM 0 H LEU A 54 -4.054 2.131 -6.653 1.00 0.00 H new ATOM 0 HA LEU A 54 -5.575 3.685 -8.627 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -6.092 0.847 -7.713 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -7.378 1.864 -8.330 1.00 0.00 H new ATOM 0 HG LEU A 54 -5.401 2.095 -10.278 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -4.784 -0.210 -10.829 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -4.111 0.297 -9.261 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -5.532 -0.773 -9.315 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -6.942 0.721 -11.616 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -7.771 0.207 -10.127 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -7.817 1.914 -10.627 1.00 0.00 H new ATOM 783 N ALA A 55 -7.341 4.231 -6.893 1.00 0.00 N ATOM 784 CA ALA A 55 -8.134 4.828 -5.835 1.00 0.00 C ATOM 785 C ALA A 55 -9.005 3.778 -5.167 1.00 0.00 C ATOM 786 O ALA A 55 -9.721 3.037 -5.842 1.00 0.00 O ATOM 787 CB ALA A 55 -8.993 5.954 -6.389 1.00 0.00 C ATOM 0 H ALA A 55 -7.649 4.472 -7.835 1.00 0.00 H new ATOM 0 HA ALA A 55 -7.458 5.242 -5.087 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -9.582 6.392 -5.583 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -8.352 6.719 -6.827 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -9.661 5.559 -7.154 1.00 0.00 H new ATOM 793 N GLY A 56 -8.928 3.707 -3.849 1.00 0.00 N ATOM 794 CA GLY A 56 -9.708 2.733 -3.112 1.00 0.00 C ATOM 795 C GLY A 56 -8.836 1.694 -2.440 1.00 0.00 C ATOM 796 O GLY A 56 -9.291 0.970 -1.552 1.00 0.00 O ATOM 0 H GLY A 56 -8.338 4.308 -3.273 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -10.307 3.244 -2.359 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -10.403 2.238 -3.790 1.00 0.00 H new ATOM 800 N ASP A 57 -7.581 1.621 -2.869 1.00 0.00 N ATOM 801 CA ASP A 57 -6.623 0.679 -2.299 1.00 0.00 C ATOM 802 C ASP A 57 -6.092 1.190 -0.959 1.00 0.00 C ATOM 803 O ASP A 57 -5.954 2.402 -0.750 1.00 0.00 O ATOM 804 CB ASP A 57 -5.461 0.433 -3.270 1.00 0.00 C ATOM 805 CG ASP A 57 -5.832 -0.487 -4.421 1.00 0.00 C ATOM 806 OD1 ASP A 57 -6.553 -0.044 -5.343 1.00 0.00 O ATOM 807 OD2 ASP A 57 -5.387 -1.657 -4.416 1.00 0.00 O ATOM 0 H ASP A 57 -7.201 2.206 -3.613 1.00 0.00 H new ATOM 0 HA ASP A 57 -7.140 -0.266 -2.129 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -5.122 1.388 -3.671 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -4.623 0.001 -2.723 1.00 0.00 H new ATOM 812 N ARG A 58 -5.800 0.258 -0.058 1.00 0.00 N ATOM 813 CA ARG A 58 -5.341 0.583 1.290 1.00 0.00 C ATOM 814 C ARG A 58 -3.819 0.627 1.352 1.00 0.00 C ATOM 815 O ARG A 58 -3.151 -0.325 0.955 1.00 0.00 O ATOM 816 CB ARG A 58 -5.874 -0.464 2.275 1.00 0.00 C ATOM 817 CG ARG A 58 -5.428 -0.273 3.721 1.00 0.00 C ATOM 818 CD ARG A 58 -5.970 -1.396 4.591 1.00 0.00 C ATOM 819 NE ARG A 58 -5.592 -1.279 6.000 1.00 0.00 N ATOM 820 CZ ARG A 58 -6.250 -1.889 6.990 1.00 0.00 C ATOM 821 NH1 ARG A 58 -7.273 -2.686 6.724 1.00 0.00 N ATOM 822 NH2 ARG A 58 -5.852 -1.748 8.242 1.00 0.00 N ATOM 0 H ARG A 58 -5.874 -0.743 -0.240 1.00 0.00 H new ATOM 0 HA ARG A 58 -5.720 1.569 1.560 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -6.963 -0.451 2.242 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -5.556 -1.451 1.940 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -4.339 -0.255 3.774 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -5.781 0.688 4.094 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -7.057 -1.411 4.515 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -5.610 -2.350 4.205 1.00 0.00 H new ATOM 0 HE ARG A 58 -4.785 -0.702 6.238 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -7.564 -2.838 5.758 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -7.771 -3.148 7.485 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -5.039 -1.171 8.457 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -6.358 -2.216 8.994 1.00 0.00 H new ATOM 836 N LEU A 59 -3.284 1.731 1.853 1.00 0.00 N ATOM 837 CA LEU A 59 -1.840 1.902 1.986 1.00 0.00 C ATOM 838 C LEU A 59 -1.328 1.127 3.196 1.00 0.00 C ATOM 839 O LEU A 59 -1.644 1.462 4.336 1.00 0.00 O ATOM 840 CB LEU A 59 -1.499 3.389 2.131 1.00 0.00 C ATOM 841 CG LEU A 59 -0.008 3.721 2.223 1.00 0.00 C ATOM 842 CD1 LEU A 59 0.694 3.405 0.911 1.00 0.00 C ATOM 843 CD2 LEU A 59 0.186 5.184 2.603 1.00 0.00 C ATOM 0 H LEU A 59 -3.831 2.529 2.177 1.00 0.00 H new ATOM 0 HA LEU A 59 -1.356 1.514 1.090 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -1.920 3.924 1.280 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -1.993 3.771 3.024 1.00 0.00 H new ATOM 0 HG LEU A 59 0.438 3.102 3.002 1.00 0.00 H new ATOM 0 HD11 LEU A 59 1.753 3.648 0.997 1.00 0.00 H new ATOM 0 HD12 LEU A 59 0.582 2.345 0.685 1.00 0.00 H new ATOM 0 HD13 LEU A 59 0.250 3.996 0.109 1.00 0.00 H new ATOM 0 HD21 LEU A 59 1.251 5.406 2.665 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -0.274 5.820 1.847 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -0.281 5.374 3.570 1.00 0.00 H new ATOM 855 N VAL A 60 -0.540 0.092 2.938 1.00 0.00 N ATOM 856 CA VAL A 60 -0.044 -0.778 3.998 1.00 0.00 C ATOM 857 C VAL A 60 1.430 -0.506 4.300 1.00 0.00 C ATOM 858 O VAL A 60 1.877 -0.652 5.439 1.00 0.00 O ATOM 859 CB VAL A 60 -0.224 -2.267 3.623 1.00 0.00 C ATOM 860 CG1 VAL A 60 0.185 -3.176 4.772 1.00 0.00 C ATOM 861 CG2 VAL A 60 -1.659 -2.544 3.208 1.00 0.00 C ATOM 0 H VAL A 60 -0.229 -0.167 2.002 1.00 0.00 H new ATOM 0 HA VAL A 60 -0.631 -0.560 4.890 1.00 0.00 H new ATOM 0 HB VAL A 60 0.429 -2.481 2.777 1.00 0.00 H new ATOM 0 HG11 VAL A 60 0.048 -4.217 4.479 1.00 0.00 H new ATOM 0 HG12 VAL A 60 1.233 -3.003 5.017 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -0.432 -2.960 5.644 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -1.766 -3.597 2.948 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -2.329 -2.304 4.034 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -1.913 -1.929 2.344 1.00 0.00 H new ATOM 871 N GLU A 61 2.189 -0.101 3.294 1.00 0.00 N ATOM 872 CA GLU A 61 3.610 0.160 3.488 1.00 0.00 C ATOM 873 C GLU A 61 4.059 1.355 2.655 1.00 0.00 C ATOM 874 O GLU A 61 3.501 1.628 1.590 1.00 0.00 O ATOM 875 CB GLU A 61 4.410 -1.104 3.128 1.00 0.00 C ATOM 876 CG GLU A 61 5.923 -0.959 3.193 1.00 0.00 C ATOM 877 CD GLU A 61 6.582 -0.854 1.828 1.00 0.00 C ATOM 878 OE1 GLU A 61 6.671 0.266 1.288 1.00 0.00 O ATOM 879 OE2 GLU A 61 7.059 -1.882 1.314 1.00 0.00 O ATOM 0 H GLU A 61 1.852 0.053 2.344 1.00 0.00 H new ATOM 0 HA GLU A 61 3.793 0.408 4.533 1.00 0.00 H new ATOM 0 HB2 GLU A 61 4.110 -1.907 3.801 1.00 0.00 H new ATOM 0 HB3 GLU A 61 4.135 -1.413 2.120 1.00 0.00 H new ATOM 0 HG2 GLU A 61 6.170 -0.072 3.776 1.00 0.00 H new ATOM 0 HG3 GLU A 61 6.339 -1.815 3.724 1.00 0.00 H new ATOM 886 N VAL A 62 5.066 2.064 3.161 1.00 0.00 N ATOM 887 CA VAL A 62 5.653 3.200 2.459 1.00 0.00 C ATOM 888 C VAL A 62 7.172 3.152 2.553 1.00 0.00 C ATOM 889 O VAL A 62 7.741 3.274 3.641 1.00 0.00 O ATOM 890 CB VAL A 62 5.169 4.562 3.014 1.00 0.00 C ATOM 891 CG1 VAL A 62 5.828 5.714 2.267 1.00 0.00 C ATOM 892 CG2 VAL A 62 3.656 4.683 2.928 1.00 0.00 C ATOM 0 H VAL A 62 5.495 1.867 4.065 1.00 0.00 H new ATOM 0 HA VAL A 62 5.328 3.120 1.422 1.00 0.00 H new ATOM 0 HB VAL A 62 5.459 4.613 4.064 1.00 0.00 H new ATOM 0 HG11 VAL A 62 5.473 6.661 2.673 1.00 0.00 H new ATOM 0 HG12 VAL A 62 6.910 5.651 2.383 1.00 0.00 H new ATOM 0 HG13 VAL A 62 5.573 5.655 1.209 1.00 0.00 H new ATOM 0 HG21 VAL A 62 3.345 5.649 3.325 1.00 0.00 H new ATOM 0 HG22 VAL A 62 3.343 4.600 1.887 1.00 0.00 H new ATOM 0 HG23 VAL A 62 3.194 3.886 3.510 1.00 0.00 H new ATOM 902 N ASN A 63 7.808 2.947 1.409 1.00 0.00 N ATOM 903 CA ASN A 63 9.264 2.967 1.289 1.00 0.00 C ATOM 904 C ASN A 63 9.895 1.835 2.110 1.00 0.00 C ATOM 905 O ASN A 63 10.965 1.979 2.698 1.00 0.00 O ATOM 906 CB ASN A 63 9.816 4.346 1.704 1.00 0.00 C ATOM 907 CG ASN A 63 11.289 4.534 1.368 1.00 0.00 C ATOM 908 OD1 ASN A 63 12.169 4.271 2.188 1.00 0.00 O ATOM 909 ND2 ASN A 63 11.570 5.004 0.163 1.00 0.00 N ATOM 0 H ASN A 63 7.327 2.760 0.529 1.00 0.00 H new ATOM 0 HA ASN A 63 9.532 2.799 0.246 1.00 0.00 H new ATOM 0 HB2 ASN A 63 9.236 5.125 1.209 1.00 0.00 H new ATOM 0 HB3 ASN A 63 9.676 4.477 2.777 1.00 0.00 H new ATOM 0 HD21 ASN A 63 12.540 5.159 -0.111 1.00 0.00 H new ATOM 0 HD22 ASN A 63 10.816 5.211 -0.492 1.00 0.00 H new ATOM 916 N GLY A 64 9.210 0.704 2.158 1.00 0.00 N ATOM 917 CA GLY A 64 9.756 -0.461 2.825 1.00 0.00 C ATOM 918 C GLY A 64 9.438 -0.503 4.307 1.00 0.00 C ATOM 919 O GLY A 64 10.007 -1.310 5.045 1.00 0.00 O ATOM 0 H GLY A 64 8.286 0.570 1.748 1.00 0.00 H new ATOM 0 HA2 GLY A 64 9.365 -1.361 2.350 1.00 0.00 H new ATOM 0 HA3 GLY A 64 10.838 -0.475 2.691 1.00 0.00 H new ATOM 923 N GLU A 65 8.544 0.366 4.758 1.00 0.00 N ATOM 924 CA GLU A 65 8.156 0.382 6.160 1.00 0.00 C ATOM 925 C GLU A 65 6.645 0.241 6.307 1.00 0.00 C ATOM 926 O GLU A 65 5.877 0.936 5.639 1.00 0.00 O ATOM 927 CB GLU A 65 8.634 1.658 6.850 1.00 0.00 C ATOM 928 CG GLU A 65 8.393 1.648 8.352 1.00 0.00 C ATOM 929 CD GLU A 65 9.132 0.526 9.055 1.00 0.00 C ATOM 930 OE1 GLU A 65 8.750 -0.651 8.879 1.00 0.00 O ATOM 931 OE2 GLU A 65 10.102 0.816 9.789 1.00 0.00 O ATOM 0 H GLU A 65 8.077 1.064 4.178 1.00 0.00 H new ATOM 0 HA GLU A 65 8.635 -0.470 6.643 1.00 0.00 H new ATOM 0 HB2 GLU A 65 9.699 1.790 6.659 1.00 0.00 H new ATOM 0 HB3 GLU A 65 8.123 2.515 6.411 1.00 0.00 H new ATOM 0 HG2 GLU A 65 8.706 2.604 8.773 1.00 0.00 H new ATOM 0 HG3 GLU A 65 7.324 1.550 8.544 1.00 0.00 H new ATOM 938 N ASN A 66 6.238 -0.658 7.193 1.00 0.00 N ATOM 939 CA ASN A 66 4.826 -0.950 7.417 1.00 0.00 C ATOM 940 C ASN A 66 4.134 0.231 8.088 1.00 0.00 C ATOM 941 O ASN A 66 4.362 0.513 9.262 1.00 0.00 O ATOM 942 CB ASN A 66 4.695 -2.208 8.282 1.00 0.00 C ATOM 943 CG ASN A 66 3.255 -2.640 8.514 1.00 0.00 C ATOM 944 OD1 ASN A 66 2.926 -3.180 9.567 1.00 0.00 O ATOM 945 ND2 ASN A 66 2.393 -2.435 7.527 1.00 0.00 N ATOM 0 H ASN A 66 6.873 -1.204 7.775 1.00 0.00 H new ATOM 0 HA ASN A 66 4.342 -1.124 6.456 1.00 0.00 H new ATOM 0 HB2 ASN A 66 5.238 -3.024 7.806 1.00 0.00 H new ATOM 0 HB3 ASN A 66 5.171 -2.027 9.246 1.00 0.00 H new ATOM 0 HD21 ASN A 66 1.422 -2.729 7.629 1.00 0.00 H new ATOM 0 HD22 ASN A 66 2.701 -1.983 6.666 1.00 0.00 H new ATOM 952 N VAL A 67 3.285 0.919 7.335 1.00 0.00 N ATOM 953 CA VAL A 67 2.623 2.121 7.833 1.00 0.00 C ATOM 954 C VAL A 67 1.245 1.809 8.407 1.00 0.00 C ATOM 955 O VAL A 67 0.438 2.709 8.632 1.00 0.00 O ATOM 956 CB VAL A 67 2.499 3.196 6.736 1.00 0.00 C ATOM 957 CG1 VAL A 67 3.876 3.610 6.258 1.00 0.00 C ATOM 958 CG2 VAL A 67 1.650 2.701 5.577 1.00 0.00 C ATOM 0 H VAL A 67 3.038 0.667 6.378 1.00 0.00 H new ATOM 0 HA VAL A 67 3.251 2.512 8.634 1.00 0.00 H new ATOM 0 HB VAL A 67 1.999 4.067 7.161 1.00 0.00 H new ATOM 0 HG11 VAL A 67 3.779 4.370 5.483 1.00 0.00 H new ATOM 0 HG12 VAL A 67 4.445 4.016 7.095 1.00 0.00 H new ATOM 0 HG13 VAL A 67 4.396 2.742 5.852 1.00 0.00 H new ATOM 0 HG21 VAL A 67 1.580 3.480 4.818 1.00 0.00 H new ATOM 0 HG22 VAL A 67 2.109 1.813 5.143 1.00 0.00 H new ATOM 0 HG23 VAL A 67 0.651 2.454 5.937 1.00 0.00 H new ATOM 968 N GLU A 68 0.998 0.533 8.680 1.00 0.00 N ATOM 969 CA GLU A 68 -0.253 0.103 9.301 1.00 0.00 C ATOM 970 C GLU A 68 -0.257 0.419 10.792 1.00 0.00 C ATOM 971 O GLU A 68 -1.140 -0.004 11.539 1.00 0.00 O ATOM 972 CB GLU A 68 -0.462 -1.388 9.082 1.00 0.00 C ATOM 973 CG GLU A 68 -1.422 -1.701 7.949 1.00 0.00 C ATOM 974 CD GLU A 68 -2.825 -1.206 8.238 1.00 0.00 C ATOM 975 OE1 GLU A 68 -3.408 -1.637 9.253 1.00 0.00 O ATOM 976 OE2 GLU A 68 -3.356 -0.389 7.457 1.00 0.00 O ATOM 0 H GLU A 68 1.650 -0.226 8.481 1.00 0.00 H new ATOM 0 HA GLU A 68 -1.072 0.650 8.833 1.00 0.00 H new ATOM 0 HB2 GLU A 68 0.500 -1.856 8.873 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -0.840 -1.834 10.002 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -1.059 -1.243 7.029 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -1.445 -2.778 7.781 1.00 0.00 H new ATOM 983 N LYS A 69 0.762 1.142 11.214 1.00 0.00 N ATOM 984 CA LYS A 69 0.860 1.647 12.572 1.00 0.00 C ATOM 985 C LYS A 69 1.357 3.086 12.549 1.00 0.00 C ATOM 986 O LYS A 69 1.924 3.579 13.526 1.00 0.00 O ATOM 987 CB LYS A 69 1.812 0.782 13.391 1.00 0.00 C ATOM 988 CG LYS A 69 3.166 0.567 12.727 1.00 0.00 C ATOM 989 CD LYS A 69 4.258 0.382 13.760 1.00 0.00 C ATOM 990 CE LYS A 69 4.511 1.677 14.515 1.00 0.00 C ATOM 991 NZ LYS A 69 5.139 2.714 13.651 1.00 0.00 N ATOM 0 H LYS A 69 1.551 1.398 10.621 1.00 0.00 H new ATOM 0 HA LYS A 69 -0.127 1.613 13.034 1.00 0.00 H new ATOM 0 HB2 LYS A 69 1.964 1.247 14.365 1.00 0.00 H new ATOM 0 HB3 LYS A 69 1.346 -0.187 13.569 1.00 0.00 H new ATOM 0 HG2 LYS A 69 3.122 -0.309 12.080 1.00 0.00 H new ATOM 0 HG3 LYS A 69 3.403 1.421 12.092 1.00 0.00 H new ATOM 0 HD2 LYS A 69 3.973 -0.403 14.460 1.00 0.00 H new ATOM 0 HD3 LYS A 69 5.176 0.055 13.271 1.00 0.00 H new ATOM 0 HE2 LYS A 69 3.568 2.056 14.910 1.00 0.00 H new ATOM 0 HE3 LYS A 69 5.157 1.478 15.370 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 6.059 2.988 14.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 5.277 2.331 12.694 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 4.520 3.548 13.604 1.00 0.00 H new ATOM 1005 N GLU A 70 1.146 3.749 11.425 1.00 0.00 N ATOM 1006 CA GLU A 70 1.660 5.090 11.210 1.00 0.00 C ATOM 1007 C GLU A 70 0.529 6.111 11.218 1.00 0.00 C ATOM 1008 O GLU A 70 -0.608 5.782 11.535 1.00 0.00 O ATOM 1009 CB GLU A 70 2.407 5.130 9.875 1.00 0.00 C ATOM 1010 CG GLU A 70 3.861 5.541 10.005 1.00 0.00 C ATOM 1011 CD GLU A 70 4.580 4.798 11.109 1.00 0.00 C ATOM 1012 OE1 GLU A 70 5.092 3.694 10.853 1.00 0.00 O ATOM 1013 OE2 GLU A 70 4.647 5.321 12.235 1.00 0.00 O ATOM 0 H GLU A 70 0.615 3.374 10.639 1.00 0.00 H new ATOM 0 HA GLU A 70 2.344 5.346 12.019 1.00 0.00 H new ATOM 0 HB2 GLU A 70 2.357 4.145 9.410 1.00 0.00 H new ATOM 0 HB3 GLU A 70 1.900 5.825 9.205 1.00 0.00 H new ATOM 0 HG2 GLU A 70 4.371 5.361 9.059 1.00 0.00 H new ATOM 0 HG3 GLU A 70 3.916 6.612 10.198 1.00 0.00 H new ATOM 1020 N THR A 71 0.853 7.349 10.882 1.00 0.00 N ATOM 1021 CA THR A 71 -0.136 8.417 10.824 1.00 0.00 C ATOM 1022 C THR A 71 -0.052 9.121 9.484 1.00 0.00 C ATOM 1023 O THR A 71 0.849 8.827 8.699 1.00 0.00 O ATOM 1024 CB THR A 71 0.089 9.462 11.930 1.00 0.00 C ATOM 1025 OG1 THR A 71 1.398 10.026 11.784 1.00 0.00 O ATOM 1026 CG2 THR A 71 -0.059 8.850 13.316 1.00 0.00 C ATOM 0 H THR A 71 1.800 7.642 10.643 1.00 0.00 H new ATOM 0 HA THR A 71 -1.116 7.960 10.963 1.00 0.00 H new ATOM 0 HB THR A 71 -0.668 10.239 11.829 1.00 0.00 H new ATOM 0 HG1 THR A 71 1.329 11.001 11.720 1.00 0.00 H new ATOM 0 HG21 THR A 71 0.107 9.617 14.072 1.00 0.00 H new ATOM 0 HG22 THR A 71 -1.063 8.441 13.428 1.00 0.00 H new ATOM 0 HG23 THR A 71 0.673 8.053 13.442 1.00 0.00 H new ATOM 1034 N HIS A 72 -0.952 10.061 9.226 1.00 0.00 N ATOM 1035 CA HIS A 72 -0.921 10.801 7.976 1.00 0.00 C ATOM 1036 C HIS A 72 0.387 11.577 7.855 1.00 0.00 C ATOM 1037 O HIS A 72 1.045 11.538 6.822 1.00 0.00 O ATOM 1038 CB HIS A 72 -2.119 11.754 7.870 1.00 0.00 C ATOM 1039 CG HIS A 72 -2.204 12.465 6.549 1.00 0.00 C ATOM 1040 ND1 HIS A 72 -2.798 11.915 5.436 1.00 0.00 N ATOM 1041 CD2 HIS A 72 -1.751 13.681 6.165 1.00 0.00 C ATOM 1042 CE1 HIS A 72 -2.705 12.757 4.425 1.00 0.00 C ATOM 1043 NE2 HIS A 72 -2.074 13.840 4.839 1.00 0.00 N ATOM 0 H HIS A 72 -1.705 10.326 9.861 1.00 0.00 H new ATOM 0 HA HIS A 72 -0.985 10.086 7.156 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -3.038 11.189 8.030 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -2.057 12.493 8.668 1.00 0.00 H new ATOM 0 HD1 HIS A 72 -3.242 10.997 5.399 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -1.231 14.395 6.786 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -3.082 12.589 3.427 1.00 0.00 H new ATOM 1052 N GLN A 73 0.773 12.265 8.920 1.00 0.00 N ATOM 1053 CA GLN A 73 1.999 13.048 8.905 1.00 0.00 C ATOM 1054 C GLN A 73 3.221 12.137 8.791 1.00 0.00 C ATOM 1055 O GLN A 73 4.159 12.429 8.049 1.00 0.00 O ATOM 1056 CB GLN A 73 2.115 13.913 10.160 1.00 0.00 C ATOM 1057 CG GLN A 73 3.161 15.007 10.028 1.00 0.00 C ATOM 1058 CD GLN A 73 3.406 15.763 11.318 1.00 0.00 C ATOM 1059 OE1 GLN A 73 2.524 15.879 12.168 1.00 0.00 O ATOM 1060 NE2 GLN A 73 4.610 16.294 11.464 1.00 0.00 N ATOM 0 H GLN A 73 0.258 12.297 9.800 1.00 0.00 H new ATOM 0 HA GLN A 73 1.961 13.702 8.034 1.00 0.00 H new ATOM 0 HB2 GLN A 73 1.147 14.366 10.374 1.00 0.00 H new ATOM 0 HB3 GLN A 73 2.365 13.279 11.011 1.00 0.00 H new ATOM 0 HG2 GLN A 73 4.098 14.565 9.691 1.00 0.00 H new ATOM 0 HG3 GLN A 73 2.845 15.710 9.257 1.00 0.00 H new ATOM 0 HE21 GLN A 73 5.312 16.174 10.734 1.00 0.00 H new ATOM 0 HE22 GLN A 73 4.835 16.823 12.306 1.00 0.00 H new ATOM 1069 N GLN A 74 3.199 11.023 9.518 1.00 0.00 N ATOM 1070 CA GLN A 74 4.332 10.106 9.540 1.00 0.00 C ATOM 1071 C GLN A 74 4.541 9.425 8.191 1.00 0.00 C ATOM 1072 O GLN A 74 5.679 9.240 7.762 1.00 0.00 O ATOM 1073 CB GLN A 74 4.165 9.068 10.649 1.00 0.00 C ATOM 1074 CG GLN A 74 4.607 9.575 12.013 1.00 0.00 C ATOM 1075 CD GLN A 74 4.301 8.605 13.140 1.00 0.00 C ATOM 1076 OE1 GLN A 74 5.046 8.511 14.117 1.00 0.00 O ATOM 1077 NE2 GLN A 74 3.181 7.914 13.036 1.00 0.00 N ATOM 0 H GLN A 74 2.411 10.735 10.098 1.00 0.00 H new ATOM 0 HA GLN A 74 5.224 10.697 9.747 1.00 0.00 H new ATOM 0 HB2 GLN A 74 3.119 8.767 10.702 1.00 0.00 H new ATOM 0 HB3 GLN A 74 4.741 8.178 10.395 1.00 0.00 H new ATOM 0 HG2 GLN A 74 5.679 9.770 11.991 1.00 0.00 H new ATOM 0 HG3 GLN A 74 4.115 10.526 12.217 1.00 0.00 H new ATOM 0 HE21 GLN A 74 2.591 8.020 12.211 1.00 0.00 H new ATOM 0 HE22 GLN A 74 2.905 7.274 13.781 1.00 0.00 H new ATOM 1086 N VAL A 75 3.460 9.059 7.508 1.00 0.00 N ATOM 1087 CA VAL A 75 3.598 8.457 6.182 1.00 0.00 C ATOM 1088 C VAL A 75 4.106 9.474 5.169 1.00 0.00 C ATOM 1089 O VAL A 75 4.952 9.155 4.336 1.00 0.00 O ATOM 1090 CB VAL A 75 2.301 7.812 5.661 1.00 0.00 C ATOM 1091 CG1 VAL A 75 1.958 6.583 6.482 1.00 0.00 C ATOM 1092 CG2 VAL A 75 1.142 8.791 5.654 1.00 0.00 C ATOM 0 H VAL A 75 2.501 9.164 7.838 1.00 0.00 H new ATOM 0 HA VAL A 75 4.329 7.657 6.300 1.00 0.00 H new ATOM 0 HB VAL A 75 2.475 7.512 4.628 1.00 0.00 H new ATOM 0 HG11 VAL A 75 1.039 6.137 6.103 1.00 0.00 H new ATOM 0 HG12 VAL A 75 2.769 5.859 6.409 1.00 0.00 H new ATOM 0 HG13 VAL A 75 1.819 6.869 7.525 1.00 0.00 H new ATOM 0 HG21 VAL A 75 0.248 8.293 5.279 1.00 0.00 H new ATOM 0 HG22 VAL A 75 0.961 9.148 6.668 1.00 0.00 H new ATOM 0 HG23 VAL A 75 1.384 9.636 5.010 1.00 0.00 H new ATOM 1102 N VAL A 76 3.590 10.694 5.248 1.00 0.00 N ATOM 1103 CA VAL A 76 4.096 11.799 4.434 1.00 0.00 C ATOM 1104 C VAL A 76 5.596 11.985 4.669 1.00 0.00 C ATOM 1105 O VAL A 76 6.357 12.233 3.733 1.00 0.00 O ATOM 1106 CB VAL A 76 3.350 13.123 4.732 1.00 0.00 C ATOM 1107 CG1 VAL A 76 3.980 14.290 3.985 1.00 0.00 C ATOM 1108 CG2 VAL A 76 1.877 13.000 4.369 1.00 0.00 C ATOM 0 H VAL A 76 2.820 10.947 5.868 1.00 0.00 H new ATOM 0 HA VAL A 76 3.919 11.543 3.389 1.00 0.00 H new ATOM 0 HB VAL A 76 3.434 13.319 5.801 1.00 0.00 H new ATOM 0 HG11 VAL A 76 3.435 15.206 4.214 1.00 0.00 H new ATOM 0 HG12 VAL A 76 5.020 14.400 4.293 1.00 0.00 H new ATOM 0 HG13 VAL A 76 3.937 14.101 2.912 1.00 0.00 H new ATOM 0 HG21 VAL A 76 1.369 13.940 4.585 1.00 0.00 H new ATOM 0 HG22 VAL A 76 1.782 12.772 3.307 1.00 0.00 H new ATOM 0 HG23 VAL A 76 1.424 12.200 4.954 1.00 0.00 H new ATOM 1118 N SER A 77 6.015 11.833 5.921 1.00 0.00 N ATOM 1119 CA SER A 77 7.427 11.915 6.270 1.00 0.00 C ATOM 1120 C SER A 77 8.217 10.813 5.559 1.00 0.00 C ATOM 1121 O SER A 77 9.328 11.043 5.082 1.00 0.00 O ATOM 1122 CB SER A 77 7.602 11.806 7.787 1.00 0.00 C ATOM 1123 OG SER A 77 6.843 12.801 8.461 1.00 0.00 O ATOM 0 H SER A 77 5.395 11.652 6.711 1.00 0.00 H new ATOM 0 HA SER A 77 7.813 12.880 5.943 1.00 0.00 H new ATOM 0 HB2 SER A 77 7.290 10.817 8.122 1.00 0.00 H new ATOM 0 HB3 SER A 77 8.656 11.912 8.043 1.00 0.00 H new ATOM 0 HG SER A 77 5.888 12.596 8.379 1.00 0.00 H new ATOM 1129 N ARG A 78 7.622 9.625 5.462 1.00 0.00 N ATOM 1130 CA ARG A 78 8.248 8.511 4.758 1.00 0.00 C ATOM 1131 C ARG A 78 8.332 8.800 3.260 1.00 0.00 C ATOM 1132 O ARG A 78 9.300 8.424 2.599 1.00 0.00 O ATOM 1133 CB ARG A 78 7.482 7.210 4.995 1.00 0.00 C ATOM 1134 CG ARG A 78 7.331 6.843 6.461 1.00 0.00 C ATOM 1135 CD ARG A 78 6.945 5.382 6.623 1.00 0.00 C ATOM 1136 NE ARG A 78 6.787 4.987 8.027 1.00 0.00 N ATOM 1137 CZ ARG A 78 7.787 4.931 8.913 1.00 0.00 C ATOM 1138 NH1 ARG A 78 9.008 5.320 8.570 1.00 0.00 N ATOM 1139 NH2 ARG A 78 7.563 4.477 10.139 1.00 0.00 N ATOM 0 H ARG A 78 6.708 9.411 5.862 1.00 0.00 H new ATOM 0 HA ARG A 78 9.257 8.394 5.153 1.00 0.00 H new ATOM 0 HB2 ARG A 78 6.491 7.297 4.548 1.00 0.00 H new ATOM 0 HB3 ARG A 78 7.995 6.399 4.478 1.00 0.00 H new ATOM 0 HG2 ARG A 78 8.267 7.035 6.985 1.00 0.00 H new ATOM 0 HG3 ARG A 78 6.572 7.476 6.921 1.00 0.00 H new ATOM 0 HD2 ARG A 78 6.012 5.197 6.091 1.00 0.00 H new ATOM 0 HD3 ARG A 78 7.707 4.756 6.158 1.00 0.00 H new ATOM 0 HE ARG A 78 5.852 4.738 8.349 1.00 0.00 H new ATOM 0 HH11 ARG A 78 9.188 5.664 7.627 1.00 0.00 H new ATOM 0 HH12 ARG A 78 9.767 5.275 9.250 1.00 0.00 H new ATOM 0 HH21 ARG A 78 6.628 4.170 10.406 1.00 0.00 H new ATOM 0 HH22 ARG A 78 8.326 4.434 10.814 1.00 0.00 H new ATOM 1153 N ILE A 79 7.309 9.461 2.729 1.00 0.00 N ATOM 1154 CA ILE A 79 7.303 9.877 1.331 1.00 0.00 C ATOM 1155 C ILE A 79 8.434 10.872 1.077 1.00 0.00 C ATOM 1156 O ILE A 79 9.088 10.842 0.034 1.00 0.00 O ATOM 1157 CB ILE A 79 5.951 10.515 0.936 1.00 0.00 C ATOM 1158 CG1 ILE A 79 4.808 9.529 1.198 1.00 0.00 C ATOM 1159 CG2 ILE A 79 5.964 10.938 -0.528 1.00 0.00 C ATOM 1160 CD1 ILE A 79 3.431 10.109 0.954 1.00 0.00 C ATOM 0 H ILE A 79 6.470 9.721 3.248 1.00 0.00 H new ATOM 0 HA ILE A 79 7.451 8.988 0.718 1.00 0.00 H new ATOM 0 HB ILE A 79 5.795 11.404 1.546 1.00 0.00 H new ATOM 0 HG12 ILE A 79 4.942 8.655 0.561 1.00 0.00 H new ATOM 0 HG13 ILE A 79 4.869 9.183 2.230 1.00 0.00 H new ATOM 0 HG21 ILE A 79 5.004 11.385 -0.786 1.00 0.00 H new ATOM 0 HG22 ILE A 79 6.758 11.667 -0.689 1.00 0.00 H new ATOM 0 HG23 ILE A 79 6.139 10.065 -1.157 1.00 0.00 H new ATOM 0 HD11 ILE A 79 2.675 9.351 1.161 1.00 0.00 H new ATOM 0 HD12 ILE A 79 3.275 10.965 1.610 1.00 0.00 H new ATOM 0 HD13 ILE A 79 3.350 10.429 -0.085 1.00 0.00 H new ATOM 1172 N ARG A 80 8.670 11.737 2.056 1.00 0.00 N ATOM 1173 CA ARG A 80 9.765 12.701 1.992 1.00 0.00 C ATOM 1174 C ARG A 80 11.116 12.003 2.091 1.00 0.00 C ATOM 1175 O ARG A 80 12.127 12.527 1.626 1.00 0.00 O ATOM 1176 CB ARG A 80 9.640 13.735 3.116 1.00 0.00 C ATOM 1177 CG ARG A 80 8.876 14.998 2.738 1.00 0.00 C ATOM 1178 CD ARG A 80 7.480 14.697 2.223 1.00 0.00 C ATOM 1179 NE ARG A 80 6.686 15.914 2.064 1.00 0.00 N ATOM 1180 CZ ARG A 80 6.176 16.344 0.907 1.00 0.00 C ATOM 1181 NH1 ARG A 80 6.435 15.707 -0.233 1.00 0.00 N ATOM 1182 NH2 ARG A 80 5.433 17.438 0.886 1.00 0.00 N ATOM 0 H ARG A 80 8.114 11.791 2.910 1.00 0.00 H new ATOM 0 HA ARG A 80 9.702 13.208 1.029 1.00 0.00 H new ATOM 0 HB2 ARG A 80 9.144 13.268 3.967 1.00 0.00 H new ATOM 0 HB3 ARG A 80 10.640 14.017 3.445 1.00 0.00 H new ATOM 0 HG2 ARG A 80 8.807 15.651 3.608 1.00 0.00 H new ATOM 0 HG3 ARG A 80 9.433 15.541 1.975 1.00 0.00 H new ATOM 0 HD2 ARG A 80 7.549 14.181 1.266 1.00 0.00 H new ATOM 0 HD3 ARG A 80 6.975 14.021 2.914 1.00 0.00 H new ATOM 0 HE ARG A 80 6.509 16.475 2.897 1.00 0.00 H new ATOM 0 HH11 ARG A 80 7.030 14.879 -0.231 1.00 0.00 H new ATOM 0 HH12 ARG A 80 6.038 16.047 -1.109 1.00 0.00 H new ATOM 0 HH21 ARG A 80 5.252 17.948 1.750 1.00 0.00 H new ATOM 0 HH22 ARG A 80 5.041 17.771 0.005 1.00 0.00 H new ATOM 1196 N ALA A 81 11.126 10.822 2.699 1.00 0.00 N ATOM 1197 CA ALA A 81 12.354 10.059 2.876 1.00 0.00 C ATOM 1198 C ALA A 81 12.779 9.389 1.573 1.00 0.00 C ATOM 1199 O ALA A 81 13.933 8.980 1.425 1.00 0.00 O ATOM 1200 CB ALA A 81 12.176 9.022 3.974 1.00 0.00 C ATOM 0 H ALA A 81 10.293 10.372 3.079 1.00 0.00 H new ATOM 0 HA ALA A 81 13.143 10.751 3.170 1.00 0.00 H new ATOM 0 HB1 ALA A 81 13.101 8.459 4.096 1.00 0.00 H new ATOM 0 HB2 ALA A 81 11.930 9.522 4.911 1.00 0.00 H new ATOM 0 HB3 ALA A 81 11.369 8.341 3.704 1.00 0.00 H new ATOM 1206 N ALA A 82 11.841 9.260 0.641 1.00 0.00 N ATOM 1207 CA ALA A 82 12.138 8.716 -0.673 1.00 0.00 C ATOM 1208 C ALA A 82 13.133 9.612 -1.401 1.00 0.00 C ATOM 1209 O ALA A 82 12.960 10.833 -1.459 1.00 0.00 O ATOM 1210 CB ALA A 82 10.858 8.572 -1.479 1.00 0.00 C ATOM 0 H ALA A 82 10.866 9.527 0.775 1.00 0.00 H new ATOM 0 HA ALA A 82 12.586 7.729 -0.555 1.00 0.00 H new ATOM 0 HB1 ALA A 82 11.091 8.164 -2.462 1.00 0.00 H new ATOM 0 HB2 ALA A 82 10.175 7.900 -0.960 1.00 0.00 H new ATOM 0 HB3 ALA A 82 10.389 9.549 -1.594 1.00 0.00 H new ATOM 1216 N LEU A 83 14.175 9.000 -1.942 1.00 0.00 N ATOM 1217 CA LEU A 83 15.237 9.735 -2.609 1.00 0.00 C ATOM 1218 C LEU A 83 14.932 9.903 -4.090 1.00 0.00 C ATOM 1219 O LEU A 83 14.695 11.011 -4.566 1.00 0.00 O ATOM 1220 CB LEU A 83 16.568 9.005 -2.428 1.00 0.00 C ATOM 1221 CG LEU A 83 17.034 8.850 -0.977 1.00 0.00 C ATOM 1222 CD1 LEU A 83 18.302 8.014 -0.913 1.00 0.00 C ATOM 1223 CD2 LEU A 83 17.264 10.214 -0.337 1.00 0.00 C ATOM 0 H LEU A 83 14.308 7.989 -1.931 1.00 0.00 H new ATOM 0 HA LEU A 83 15.306 10.726 -2.159 1.00 0.00 H new ATOM 0 HB2 LEU A 83 16.484 8.014 -2.874 1.00 0.00 H new ATOM 0 HB3 LEU A 83 17.337 9.541 -2.985 1.00 0.00 H new ATOM 0 HG LEU A 83 16.251 8.337 -0.419 1.00 0.00 H new ATOM 0 HD11 LEU A 83 18.620 7.914 0.125 1.00 0.00 H new ATOM 0 HD12 LEU A 83 18.108 7.026 -1.330 1.00 0.00 H new ATOM 0 HD13 LEU A 83 19.089 8.502 -1.488 1.00 0.00 H new ATOM 0 HD21 LEU A 83 17.594 10.081 0.693 1.00 0.00 H new ATOM 0 HD22 LEU A 83 18.028 10.754 -0.896 1.00 0.00 H new ATOM 0 HD23 LEU A 83 16.334 10.783 -0.349 1.00 0.00 H new ATOM 1235 N ASN A 84 14.935 8.797 -4.812 1.00 0.00 N ATOM 1236 CA ASN A 84 14.662 8.819 -6.242 1.00 0.00 C ATOM 1237 C ASN A 84 13.355 8.105 -6.534 1.00 0.00 C ATOM 1238 O ASN A 84 12.699 8.373 -7.540 1.00 0.00 O ATOM 1239 CB ASN A 84 15.808 8.166 -7.027 1.00 0.00 C ATOM 1240 CG ASN A 84 16.031 6.710 -6.656 1.00 0.00 C ATOM 1241 OD1 ASN A 84 15.416 5.808 -7.222 1.00 0.00 O ATOM 1242 ND2 ASN A 84 16.931 6.470 -5.714 1.00 0.00 N ATOM 0 H ASN A 84 15.124 7.869 -4.433 1.00 0.00 H new ATOM 0 HA ASN A 84 14.579 9.858 -6.560 1.00 0.00 H new ATOM 0 HB2 ASN A 84 15.595 8.234 -8.094 1.00 0.00 H new ATOM 0 HB3 ASN A 84 16.727 8.725 -6.849 1.00 0.00 H new ATOM 0 HD21 ASN A 84 17.134 5.510 -5.435 1.00 0.00 H new ATOM 0 HD22 ASN A 84 17.421 7.245 -5.267 1.00 0.00 H new ATOM 1249 N ALA A 85 12.977 7.203 -5.644 1.00 0.00 N ATOM 1250 CA ALA A 85 11.757 6.437 -5.811 1.00 0.00 C ATOM 1251 C ALA A 85 11.179 6.043 -4.463 1.00 0.00 C ATOM 1252 O ALA A 85 11.891 6.000 -3.458 1.00 0.00 O ATOM 1253 CB ALA A 85 12.023 5.204 -6.662 1.00 0.00 C ATOM 0 H ALA A 85 13.500 6.984 -4.796 1.00 0.00 H new ATOM 0 HA ALA A 85 11.024 7.061 -6.322 1.00 0.00 H new ATOM 0 HB1 ALA A 85 11.099 4.637 -6.780 1.00 0.00 H new ATOM 0 HB2 ALA A 85 12.389 5.510 -7.642 1.00 0.00 H new ATOM 0 HB3 ALA A 85 12.772 4.580 -6.174 1.00 0.00 H new ATOM 1259 N VAL A 86 9.891 5.756 -4.442 1.00 0.00 N ATOM 1260 CA VAL A 86 9.220 5.358 -3.221 1.00 0.00 C ATOM 1261 C VAL A 86 8.418 4.087 -3.464 1.00 0.00 C ATOM 1262 O VAL A 86 7.865 3.891 -4.549 1.00 0.00 O ATOM 1263 CB VAL A 86 8.285 6.476 -2.696 1.00 0.00 C ATOM 1264 CG1 VAL A 86 7.115 6.712 -3.642 1.00 0.00 C ATOM 1265 CG2 VAL A 86 7.791 6.157 -1.292 1.00 0.00 C ATOM 0 H VAL A 86 9.286 5.792 -5.263 1.00 0.00 H new ATOM 0 HA VAL A 86 9.982 5.174 -2.464 1.00 0.00 H new ATOM 0 HB VAL A 86 8.866 7.397 -2.651 1.00 0.00 H new ATOM 0 HG11 VAL A 86 6.479 7.502 -3.244 1.00 0.00 H new ATOM 0 HG12 VAL A 86 7.492 7.008 -4.621 1.00 0.00 H new ATOM 0 HG13 VAL A 86 6.535 5.794 -3.740 1.00 0.00 H new ATOM 0 HG21 VAL A 86 7.137 6.957 -0.946 1.00 0.00 H new ATOM 0 HG22 VAL A 86 7.239 5.217 -1.305 1.00 0.00 H new ATOM 0 HG23 VAL A 86 8.643 6.068 -0.618 1.00 0.00 H new ATOM 1275 N ARG A 87 8.377 3.211 -2.477 1.00 0.00 N ATOM 1276 CA ARG A 87 7.565 2.015 -2.588 1.00 0.00 C ATOM 1277 C ARG A 87 6.261 2.236 -1.862 1.00 0.00 C ATOM 1278 O ARG A 87 6.253 2.677 -0.720 1.00 0.00 O ATOM 1279 CB ARG A 87 8.260 0.797 -1.987 1.00 0.00 C ATOM 1280 CG ARG A 87 9.745 0.711 -2.273 1.00 0.00 C ATOM 1281 CD ARG A 87 10.250 -0.704 -2.065 1.00 0.00 C ATOM 1282 NE ARG A 87 9.587 -1.373 -0.943 1.00 0.00 N ATOM 1283 CZ ARG A 87 9.828 -2.634 -0.586 1.00 0.00 C ATOM 1284 NH1 ARG A 87 10.794 -3.323 -1.176 1.00 0.00 N ATOM 1285 NH2 ARG A 87 9.105 -3.212 0.363 1.00 0.00 N ATOM 0 H ARG A 87 8.890 3.303 -1.600 1.00 0.00 H new ATOM 0 HA ARG A 87 7.397 1.822 -3.648 1.00 0.00 H new ATOM 0 HB2 ARG A 87 8.112 0.807 -0.907 1.00 0.00 H new ATOM 0 HB3 ARG A 87 7.778 -0.104 -2.367 1.00 0.00 H new ATOM 0 HG2 ARG A 87 9.942 1.026 -3.298 1.00 0.00 H new ATOM 0 HG3 ARG A 87 10.286 1.395 -1.620 1.00 0.00 H new ATOM 0 HD2 ARG A 87 10.090 -1.282 -2.975 1.00 0.00 H new ATOM 0 HD3 ARG A 87 11.325 -0.681 -1.887 1.00 0.00 H new ATOM 0 HE ARG A 87 8.902 -0.843 -0.404 1.00 0.00 H new ATOM 0 HH11 ARG A 87 11.357 -2.888 -1.907 1.00 0.00 H new ATOM 0 HH12 ARG A 87 10.974 -4.288 -0.899 1.00 0.00 H new ATOM 0 HH21 ARG A 87 8.359 -2.691 0.824 1.00 0.00 H new ATOM 0 HH22 ARG A 87 9.294 -4.178 0.632 1.00 0.00 H new ATOM 1299 N LEU A 88 5.167 1.974 -2.531 1.00 0.00 N ATOM 1300 CA LEU A 88 3.873 2.082 -1.903 1.00 0.00 C ATOM 1301 C LEU A 88 3.148 0.752 -1.987 1.00 0.00 C ATOM 1302 O LEU A 88 2.750 0.317 -3.068 1.00 0.00 O ATOM 1303 CB LEU A 88 3.053 3.196 -2.557 1.00 0.00 C ATOM 1304 CG LEU A 88 3.666 4.598 -2.446 1.00 0.00 C ATOM 1305 CD1 LEU A 88 2.830 5.607 -3.210 1.00 0.00 C ATOM 1306 CD2 LEU A 88 3.795 5.016 -0.987 1.00 0.00 C ATOM 0 H LEU A 88 5.145 1.685 -3.509 1.00 0.00 H new ATOM 0 HA LEU A 88 4.007 2.338 -0.852 1.00 0.00 H new ATOM 0 HB2 LEU A 88 2.918 2.957 -3.612 1.00 0.00 H new ATOM 0 HB3 LEU A 88 2.062 3.212 -2.104 1.00 0.00 H new ATOM 0 HG LEU A 88 4.663 4.568 -2.886 1.00 0.00 H new ATOM 0 HD11 LEU A 88 3.280 6.595 -3.120 1.00 0.00 H new ATOM 0 HD12 LEU A 88 2.787 5.322 -4.261 1.00 0.00 H new ATOM 0 HD13 LEU A 88 1.821 5.629 -2.799 1.00 0.00 H new ATOM 0 HD21 LEU A 88 4.232 6.013 -0.931 1.00 0.00 H new ATOM 0 HD22 LEU A 88 2.809 5.025 -0.523 1.00 0.00 H new ATOM 0 HD23 LEU A 88 4.437 4.309 -0.461 1.00 0.00 H new ATOM 1318 N LEU A 89 2.989 0.102 -0.852 1.00 0.00 N ATOM 1319 CA LEU A 89 2.308 -1.174 -0.810 1.00 0.00 C ATOM 1320 C LEU A 89 0.845 -0.962 -0.498 1.00 0.00 C ATOM 1321 O LEU A 89 0.503 -0.313 0.491 1.00 0.00 O ATOM 1322 CB LEU A 89 2.916 -2.081 0.252 1.00 0.00 C ATOM 1323 CG LEU A 89 2.167 -3.393 0.480 1.00 0.00 C ATOM 1324 CD1 LEU A 89 2.559 -4.431 -0.557 1.00 0.00 C ATOM 1325 CD2 LEU A 89 2.423 -3.905 1.878 1.00 0.00 C ATOM 0 H LEU A 89 3.322 0.437 0.052 1.00 0.00 H new ATOM 0 HA LEU A 89 2.418 -1.649 -1.785 1.00 0.00 H new ATOM 0 HB2 LEU A 89 3.943 -2.310 -0.031 1.00 0.00 H new ATOM 0 HB3 LEU A 89 2.959 -1.535 1.194 1.00 0.00 H new ATOM 0 HG LEU A 89 1.099 -3.203 0.371 1.00 0.00 H new ATOM 0 HD11 LEU A 89 2.012 -5.355 -0.372 1.00 0.00 H new ATOM 0 HD12 LEU A 89 2.318 -4.060 -1.553 1.00 0.00 H new ATOM 0 HD13 LEU A 89 3.630 -4.624 -0.492 1.00 0.00 H new ATOM 0 HD21 LEU A 89 1.884 -4.840 2.027 1.00 0.00 H new ATOM 0 HD22 LEU A 89 3.491 -4.077 2.013 1.00 0.00 H new ATOM 0 HD23 LEU A 89 2.079 -3.168 2.604 1.00 0.00 H new ATOM 1337 N VAL A 90 -0.012 -1.505 -1.339 1.00 0.00 N ATOM 1338 CA VAL A 90 -1.439 -1.361 -1.151 1.00 0.00 C ATOM 1339 C VAL A 90 -2.142 -2.705 -1.257 1.00 0.00 C ATOM 1340 O VAL A 90 -1.561 -3.692 -1.707 1.00 0.00 O ATOM 1341 CB VAL A 90 -2.055 -0.375 -2.169 1.00 0.00 C ATOM 1342 CG1 VAL A 90 -1.506 1.030 -1.967 1.00 0.00 C ATOM 1343 CG2 VAL A 90 -1.812 -0.845 -3.596 1.00 0.00 C ATOM 0 H VAL A 90 0.256 -2.050 -2.159 1.00 0.00 H new ATOM 0 HA VAL A 90 -1.586 -0.958 -0.149 1.00 0.00 H new ATOM 0 HB VAL A 90 -3.131 -0.347 -1.998 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -1.955 1.704 -2.696 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -1.745 1.373 -0.960 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -0.424 1.021 -2.100 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -2.255 -0.134 -4.294 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -0.740 -0.913 -3.779 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -2.267 -1.825 -3.739 1.00 0.00 H new ATOM 1353 N VAL A 91 -3.385 -2.736 -0.809 1.00 0.00 N ATOM 1354 CA VAL A 91 -4.208 -3.929 -0.891 1.00 0.00 C ATOM 1355 C VAL A 91 -5.674 -3.529 -1.069 1.00 0.00 C ATOM 1356 O VAL A 91 -6.132 -2.543 -0.483 1.00 0.00 O ATOM 1357 CB VAL A 91 -4.032 -4.812 0.370 1.00 0.00 C ATOM 1358 CG1 VAL A 91 -4.431 -4.059 1.629 1.00 0.00 C ATOM 1359 CG2 VAL A 91 -4.819 -6.107 0.240 1.00 0.00 C ATOM 0 H VAL A 91 -3.851 -1.937 -0.379 1.00 0.00 H new ATOM 0 HA VAL A 91 -3.891 -4.516 -1.753 1.00 0.00 H new ATOM 0 HB VAL A 91 -2.975 -5.065 0.454 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -4.297 -4.704 2.497 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -3.806 -3.172 1.736 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -5.477 -3.760 1.558 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -4.679 -6.709 1.138 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -5.878 -5.879 0.118 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -4.465 -6.662 -0.628 1.00 0.00 H new ATOM 1369 N ASP A 92 -6.392 -4.263 -1.912 1.00 0.00 N ATOM 1370 CA ASP A 92 -7.804 -3.983 -2.162 1.00 0.00 C ATOM 1371 C ASP A 92 -8.643 -4.449 -0.976 1.00 0.00 C ATOM 1372 O ASP A 92 -8.336 -5.452 -0.335 1.00 0.00 O ATOM 1373 CB ASP A 92 -8.283 -4.675 -3.450 1.00 0.00 C ATOM 1374 CG ASP A 92 -8.562 -6.155 -3.267 1.00 0.00 C ATOM 1375 OD1 ASP A 92 -9.710 -6.511 -2.913 1.00 0.00 O ATOM 1376 OD2 ASP A 92 -7.641 -6.971 -3.481 1.00 0.00 O ATOM 0 H ASP A 92 -6.021 -5.057 -2.434 1.00 0.00 H new ATOM 0 HA ASP A 92 -7.924 -2.907 -2.289 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -9.189 -4.182 -3.804 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -7.527 -4.548 -4.225 1.00 0.00 H new ATOM 1381 N PRO A 93 -9.721 -3.697 -0.679 1.00 0.00 N ATOM 1382 CA PRO A 93 -10.532 -3.863 0.542 1.00 0.00 C ATOM 1383 C PRO A 93 -11.079 -5.272 0.752 1.00 0.00 C ATOM 1384 O PRO A 93 -11.255 -5.697 1.892 1.00 0.00 O ATOM 1385 CB PRO A 93 -11.686 -2.879 0.339 1.00 0.00 C ATOM 1386 CG PRO A 93 -11.151 -1.860 -0.599 1.00 0.00 C ATOM 1387 CD PRO A 93 -10.237 -2.606 -1.525 1.00 0.00 C ATOM 0 HA PRO A 93 -9.925 -3.682 1.429 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -12.563 -3.377 -0.075 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -11.992 -2.427 1.283 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -11.956 -1.373 -1.150 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -10.613 -1.078 -0.063 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -10.770 -2.989 -2.395 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -9.434 -1.970 -1.897 1.00 0.00 H new ATOM 1395 N GLU A 94 -11.363 -5.987 -0.333 1.00 0.00 N ATOM 1396 CA GLU A 94 -11.891 -7.342 -0.227 1.00 0.00 C ATOM 1397 C GLU A 94 -10.805 -8.297 0.247 1.00 0.00 C ATOM 1398 O GLU A 94 -11.020 -9.091 1.165 1.00 0.00 O ATOM 1399 CB GLU A 94 -12.471 -7.813 -1.556 1.00 0.00 C ATOM 1400 CG GLU A 94 -13.733 -7.076 -1.965 1.00 0.00 C ATOM 1401 CD GLU A 94 -14.281 -7.567 -3.284 1.00 0.00 C ATOM 1402 OE1 GLU A 94 -14.953 -8.622 -3.297 1.00 0.00 O ATOM 1403 OE2 GLU A 94 -14.037 -6.904 -4.315 1.00 0.00 O ATOM 0 H GLU A 94 -11.237 -5.653 -1.289 1.00 0.00 H new ATOM 0 HA GLU A 94 -12.697 -7.334 0.507 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -11.719 -7.688 -2.335 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -12.688 -8.879 -1.490 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -14.490 -7.199 -1.191 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -13.521 -6.009 -2.037 1.00 0.00 H new ATOM 1410 N THR A 95 -9.640 -8.214 -0.378 1.00 0.00 N ATOM 1411 CA THR A 95 -8.488 -8.991 0.054 1.00 0.00 C ATOM 1412 C THR A 95 -8.066 -8.558 1.451 1.00 0.00 C ATOM 1413 O THR A 95 -7.804 -9.377 2.327 1.00 0.00 O ATOM 1414 CB THR A 95 -7.291 -8.802 -0.902 1.00 0.00 C ATOM 1415 OG1 THR A 95 -7.629 -9.250 -2.220 1.00 0.00 O ATOM 1416 CG2 THR A 95 -6.074 -9.560 -0.399 1.00 0.00 C ATOM 0 H THR A 95 -9.467 -7.616 -1.186 1.00 0.00 H new ATOM 0 HA THR A 95 -8.779 -10.041 0.052 1.00 0.00 H new ATOM 0 HB THR A 95 -7.051 -7.739 -0.937 1.00 0.00 H new ATOM 0 HG1 THR A 95 -7.938 -8.489 -2.755 1.00 0.00 H new ATOM 0 HG21 THR A 95 -5.243 -9.412 -1.088 1.00 0.00 H new ATOM 0 HG22 THR A 95 -5.797 -9.190 0.588 1.00 0.00 H new ATOM 0 HG23 THR A 95 -6.308 -10.623 -0.335 1.00 0.00 H new ATOM 1424 N ASP A 96 -8.027 -7.254 1.640 1.00 0.00 N ATOM 1425 CA ASP A 96 -7.562 -6.649 2.877 1.00 0.00 C ATOM 1426 C ASP A 96 -8.380 -7.091 4.087 1.00 0.00 C ATOM 1427 O ASP A 96 -7.821 -7.355 5.152 1.00 0.00 O ATOM 1428 CB ASP A 96 -7.620 -5.130 2.736 1.00 0.00 C ATOM 1429 CG ASP A 96 -7.357 -4.407 4.033 1.00 0.00 C ATOM 1430 OD1 ASP A 96 -6.247 -4.542 4.576 1.00 0.00 O ATOM 1431 OD2 ASP A 96 -8.267 -3.694 4.510 1.00 0.00 O ATOM 0 H ASP A 96 -8.319 -6.577 0.935 1.00 0.00 H new ATOM 0 HA ASP A 96 -6.538 -6.980 3.049 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -6.888 -4.811 1.994 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -8.602 -4.843 2.359 1.00 0.00 H new ATOM 1436 N GLU A 97 -9.693 -7.203 3.909 1.00 0.00 N ATOM 1437 CA GLU A 97 -10.595 -7.514 5.013 1.00 0.00 C ATOM 1438 C GLU A 97 -10.188 -8.830 5.669 1.00 0.00 C ATOM 1439 O GLU A 97 -10.016 -8.903 6.885 1.00 0.00 O ATOM 1440 CB GLU A 97 -12.035 -7.591 4.489 1.00 0.00 C ATOM 1441 CG GLU A 97 -13.115 -7.389 5.549 1.00 0.00 C ATOM 1442 CD GLU A 97 -13.327 -8.598 6.442 1.00 0.00 C ATOM 1443 OE1 GLU A 97 -13.923 -9.592 5.980 1.00 0.00 O ATOM 1444 OE2 GLU A 97 -12.907 -8.558 7.614 1.00 0.00 O ATOM 0 H GLU A 97 -10.157 -7.083 3.009 1.00 0.00 H new ATOM 0 HA GLU A 97 -10.535 -6.727 5.765 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -12.164 -6.838 3.711 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -12.184 -8.563 4.020 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -12.848 -6.533 6.169 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -14.055 -7.144 5.055 1.00 0.00 H new ATOM 1451 N GLN A 98 -9.994 -9.856 4.855 1.00 0.00 N ATOM 1452 CA GLN A 98 -9.558 -11.147 5.361 1.00 0.00 C ATOM 1453 C GLN A 98 -8.081 -11.116 5.756 1.00 0.00 C ATOM 1454 O GLN A 98 -7.716 -11.535 6.854 1.00 0.00 O ATOM 1455 CB GLN A 98 -9.815 -12.245 4.323 1.00 0.00 C ATOM 1456 CG GLN A 98 -9.454 -11.840 2.904 1.00 0.00 C ATOM 1457 CD GLN A 98 -9.556 -12.984 1.922 1.00 0.00 C ATOM 1458 OE1 GLN A 98 -8.586 -13.694 1.675 1.00 0.00 O ATOM 1459 NE2 GLN A 98 -10.734 -13.166 1.350 1.00 0.00 N ATOM 0 H GLN A 98 -10.131 -9.820 3.845 1.00 0.00 H new ATOM 0 HA GLN A 98 -10.139 -11.371 6.256 1.00 0.00 H new ATOM 0 HB2 GLN A 98 -9.242 -13.131 4.595 1.00 0.00 H new ATOM 0 HB3 GLN A 98 -10.868 -12.524 4.355 1.00 0.00 H new ATOM 0 HG2 GLN A 98 -10.112 -11.033 2.583 1.00 0.00 H new ATOM 0 HG3 GLN A 98 -8.438 -11.446 2.891 1.00 0.00 H new ATOM 0 HE21 GLN A 98 -11.515 -12.553 1.584 1.00 0.00 H new ATOM 0 HE22 GLN A 98 -10.862 -13.920 0.675 1.00 0.00 H new ATOM 1468 N LEU A 99 -7.253 -10.570 4.870 1.00 0.00 N ATOM 1469 CA LEU A 99 -5.796 -10.615 5.016 1.00 0.00 C ATOM 1470 C LEU A 99 -5.308 -9.967 6.312 1.00 0.00 C ATOM 1471 O LEU A 99 -4.377 -10.472 6.943 1.00 0.00 O ATOM 1472 CB LEU A 99 -5.128 -9.947 3.811 1.00 0.00 C ATOM 1473 CG LEU A 99 -4.689 -10.885 2.671 1.00 0.00 C ATOM 1474 CD1 LEU A 99 -3.435 -11.647 3.057 1.00 0.00 C ATOM 1475 CD2 LEU A 99 -5.791 -11.869 2.293 1.00 0.00 C ATOM 0 H LEU A 99 -7.569 -10.084 4.031 1.00 0.00 H new ATOM 0 HA LEU A 99 -5.514 -11.667 5.062 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -5.819 -9.210 3.401 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -4.252 -9.402 4.163 1.00 0.00 H new ATOM 0 HG LEU A 99 -4.479 -10.259 1.804 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -3.142 -12.304 2.238 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -2.630 -10.942 3.263 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -3.631 -12.243 3.948 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -5.442 -12.513 1.486 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -6.047 -12.479 3.159 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -6.673 -11.319 1.964 1.00 0.00 H new ATOM 1487 N GLN A 100 -5.925 -8.858 6.716 1.00 0.00 N ATOM 1488 CA GLN A 100 -5.493 -8.159 7.925 1.00 0.00 C ATOM 1489 C GLN A 100 -5.705 -9.021 9.167 1.00 0.00 C ATOM 1490 O GLN A 100 -4.852 -9.065 10.053 1.00 0.00 O ATOM 1491 CB GLN A 100 -6.215 -6.813 8.094 1.00 0.00 C ATOM 1492 CG GLN A 100 -7.722 -6.924 8.275 1.00 0.00 C ATOM 1493 CD GLN A 100 -8.343 -5.655 8.830 1.00 0.00 C ATOM 1494 OE1 GLN A 100 -7.852 -4.552 8.601 1.00 0.00 O ATOM 1495 NE2 GLN A 100 -9.430 -5.804 9.567 1.00 0.00 N ATOM 0 H GLN A 100 -6.714 -8.429 6.232 1.00 0.00 H new ATOM 0 HA GLN A 100 -4.427 -7.962 7.811 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -5.795 -6.296 8.957 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -6.011 -6.194 7.221 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -8.182 -7.159 7.315 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -7.943 -7.754 8.946 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -9.808 -6.736 9.735 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -9.891 -4.987 9.968 1.00 0.00 H new ATOM 1504 N LYS A 101 -6.831 -9.721 9.219 1.00 0.00 N ATOM 1505 CA LYS A 101 -7.184 -10.527 10.384 1.00 0.00 C ATOM 1506 C LYS A 101 -6.366 -11.810 10.424 1.00 0.00 C ATOM 1507 O LYS A 101 -5.989 -12.287 11.495 1.00 0.00 O ATOM 1508 CB LYS A 101 -8.676 -10.865 10.357 1.00 0.00 C ATOM 1509 CG LYS A 101 -9.572 -9.641 10.279 1.00 0.00 C ATOM 1510 CD LYS A 101 -11.037 -10.025 10.143 1.00 0.00 C ATOM 1511 CE LYS A 101 -11.273 -10.898 8.922 1.00 0.00 C ATOM 1512 NZ LYS A 101 -12.718 -11.082 8.644 1.00 0.00 N ATOM 0 H LYS A 101 -7.519 -9.748 8.466 1.00 0.00 H new ATOM 0 HA LYS A 101 -6.962 -9.946 11.279 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -8.879 -11.510 9.502 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -8.928 -11.434 11.252 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -9.437 -9.033 11.174 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -9.276 -9.027 9.428 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -11.360 -10.556 11.039 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -11.645 -9.123 10.070 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -10.791 -10.447 8.055 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -10.806 -11.871 9.076 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -12.838 -11.764 7.868 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -13.193 -11.441 9.497 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -13.138 -10.170 8.372 1.00 0.00 H new ATOM 1526 N LEU A 102 -6.087 -12.348 9.242 1.00 0.00 N ATOM 1527 CA LEU A 102 -5.364 -13.606 9.110 1.00 0.00 C ATOM 1528 C LEU A 102 -3.946 -13.501 9.668 1.00 0.00 C ATOM 1529 O LEU A 102 -3.376 -14.494 10.113 1.00 0.00 O ATOM 1530 CB LEU A 102 -5.315 -14.033 7.638 1.00 0.00 C ATOM 1531 CG LEU A 102 -6.678 -14.313 6.992 1.00 0.00 C ATOM 1532 CD1 LEU A 102 -6.530 -14.532 5.493 1.00 0.00 C ATOM 1533 CD2 LEU A 102 -7.339 -15.520 7.642 1.00 0.00 C ATOM 0 H LEU A 102 -6.354 -11.926 8.353 1.00 0.00 H new ATOM 0 HA LEU A 102 -5.898 -14.358 9.690 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -4.814 -13.252 7.066 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -4.702 -14.930 7.557 1.00 0.00 H new ATOM 0 HG LEU A 102 -7.314 -13.442 7.150 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -7.509 -14.729 5.056 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -6.101 -13.640 5.036 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -5.874 -15.384 5.313 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -8.305 -15.704 7.171 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -6.702 -16.395 7.516 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -7.485 -15.327 8.705 1.00 0.00 H new ATOM 1545 N GLY A 103 -3.386 -12.296 9.652 1.00 0.00 N ATOM 1546 CA GLY A 103 -2.024 -12.109 10.113 1.00 0.00 C ATOM 1547 C GLY A 103 -1.030 -12.635 9.100 1.00 0.00 C ATOM 1548 O GLY A 103 -0.424 -13.692 9.292 1.00 0.00 O ATOM 0 H GLY A 103 -3.850 -11.447 9.329 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -1.839 -11.050 10.292 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -1.885 -12.622 11.064 1.00 0.00 H new ATOM 1552 N VAL A 104 -0.870 -11.899 8.013 1.00 0.00 N ATOM 1553 CA VAL A 104 -0.063 -12.350 6.895 1.00 0.00 C ATOM 1554 C VAL A 104 1.068 -11.363 6.616 1.00 0.00 C ATOM 1555 O VAL A 104 0.957 -10.177 6.932 1.00 0.00 O ATOM 1556 CB VAL A 104 -0.934 -12.513 5.626 1.00 0.00 C ATOM 1557 CG1 VAL A 104 -0.115 -13.029 4.454 1.00 0.00 C ATOM 1558 CG2 VAL A 104 -2.110 -13.438 5.899 1.00 0.00 C ATOM 0 H VAL A 104 -1.292 -10.980 7.882 1.00 0.00 H new ATOM 0 HA VAL A 104 0.366 -13.317 7.158 1.00 0.00 H new ATOM 0 HB VAL A 104 -1.318 -11.528 5.359 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -0.757 -13.132 3.579 1.00 0.00 H new ATOM 0 HG12 VAL A 104 0.688 -12.326 4.234 1.00 0.00 H new ATOM 0 HG13 VAL A 104 0.312 -14.000 4.707 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -2.710 -13.540 4.995 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -1.740 -14.418 6.201 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -2.724 -13.020 6.697 1.00 0.00 H new ATOM 1568 N GLN A 105 2.159 -11.867 6.044 1.00 0.00 N ATOM 1569 CA GLN A 105 3.293 -11.042 5.632 1.00 0.00 C ATOM 1570 C GLN A 105 2.940 -10.186 4.404 1.00 0.00 C ATOM 1571 O GLN A 105 3.614 -10.237 3.369 1.00 0.00 O ATOM 1572 CB GLN A 105 4.501 -11.939 5.346 1.00 0.00 C ATOM 1573 CG GLN A 105 4.197 -13.099 4.407 1.00 0.00 C ATOM 1574 CD GLN A 105 5.368 -14.049 4.258 1.00 0.00 C ATOM 1575 OE1 GLN A 105 6.167 -14.215 5.177 1.00 0.00 O ATOM 1576 NE2 GLN A 105 5.473 -14.687 3.105 1.00 0.00 N ATOM 0 H GLN A 105 2.282 -12.861 5.853 1.00 0.00 H new ATOM 0 HA GLN A 105 3.543 -10.358 6.443 1.00 0.00 H new ATOM 0 HB2 GLN A 105 5.297 -11.333 4.914 1.00 0.00 H new ATOM 0 HB3 GLN A 105 4.878 -12.336 6.288 1.00 0.00 H new ATOM 0 HG2 GLN A 105 3.333 -13.648 4.782 1.00 0.00 H new ATOM 0 HG3 GLN A 105 3.925 -12.707 3.427 1.00 0.00 H new ATOM 0 HE21 GLN A 105 4.789 -14.522 2.367 1.00 0.00 H new ATOM 0 HE22 GLN A 105 6.238 -15.345 2.954 1.00 0.00 H new ATOM 1585 N VAL A 106 1.892 -9.384 4.555 1.00 0.00 N ATOM 1586 CA VAL A 106 1.365 -8.533 3.489 1.00 0.00 C ATOM 1587 C VAL A 106 2.379 -7.476 3.054 1.00 0.00 C ATOM 1588 O VAL A 106 2.391 -7.063 1.899 1.00 0.00 O ATOM 1589 CB VAL A 106 0.057 -7.839 3.963 1.00 0.00 C ATOM 1590 CG1 VAL A 106 -0.386 -6.726 3.015 1.00 0.00 C ATOM 1591 CG2 VAL A 106 -1.054 -8.866 4.121 1.00 0.00 C ATOM 0 H VAL A 106 1.376 -9.304 5.431 1.00 0.00 H new ATOM 0 HA VAL A 106 1.156 -9.171 2.630 1.00 0.00 H new ATOM 0 HB VAL A 106 0.267 -7.378 4.928 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -1.304 -6.273 3.390 1.00 0.00 H new ATOM 0 HG12 VAL A 106 0.395 -5.968 2.954 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -0.566 -7.142 2.024 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -1.965 -8.368 4.453 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -1.236 -9.355 3.164 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -0.758 -9.612 4.859 1.00 0.00 H new ATOM 1601 N ARG A 107 3.258 -7.091 3.973 1.00 0.00 N ATOM 1602 CA ARG A 107 4.133 -5.935 3.776 1.00 0.00 C ATOM 1603 C ARG A 107 5.062 -6.074 2.570 1.00 0.00 C ATOM 1604 O ARG A 107 5.508 -5.067 2.028 1.00 0.00 O ATOM 1605 CB ARG A 107 4.932 -5.645 5.048 1.00 0.00 C ATOM 1606 CG ARG A 107 5.802 -6.796 5.528 1.00 0.00 C ATOM 1607 CD ARG A 107 6.481 -6.438 6.838 1.00 0.00 C ATOM 1608 NE ARG A 107 7.376 -7.489 7.320 1.00 0.00 N ATOM 1609 CZ ARG A 107 8.120 -7.375 8.421 1.00 0.00 C ATOM 1610 NH1 ARG A 107 8.000 -6.306 9.201 1.00 0.00 N ATOM 1611 NH2 ARG A 107 8.958 -8.344 8.763 1.00 0.00 N ATOM 0 H ARG A 107 3.386 -7.564 4.868 1.00 0.00 H new ATOM 0 HA ARG A 107 3.482 -5.088 3.559 1.00 0.00 H new ATOM 0 HB2 ARG A 107 5.567 -4.777 4.872 1.00 0.00 H new ATOM 0 HB3 ARG A 107 4.237 -5.376 5.844 1.00 0.00 H new ATOM 0 HG2 ARG A 107 5.193 -7.690 5.660 1.00 0.00 H new ATOM 0 HG3 ARG A 107 6.553 -7.031 4.774 1.00 0.00 H new ATOM 0 HD2 ARG A 107 7.048 -5.516 6.708 1.00 0.00 H new ATOM 0 HD3 ARG A 107 5.721 -6.240 7.594 1.00 0.00 H new ATOM 0 HE ARG A 107 7.434 -8.356 6.786 1.00 0.00 H new ATOM 0 HH11 ARG A 107 7.337 -5.569 8.958 1.00 0.00 H new ATOM 0 HH12 ARG A 107 8.571 -6.222 10.042 1.00 0.00 H new ATOM 0 HH21 ARG A 107 9.035 -9.180 8.183 1.00 0.00 H new ATOM 0 HH22 ARG A 107 9.526 -8.254 9.606 1.00 0.00 H new ATOM 1625 N GLU A 108 5.329 -7.307 2.148 1.00 0.00 N ATOM 1626 CA GLU A 108 6.170 -7.568 0.976 1.00 0.00 C ATOM 1627 C GLU A 108 6.474 -9.046 0.863 1.00 0.00 C ATOM 1628 O GLU A 108 6.427 -9.617 -0.219 1.00 0.00 O ATOM 1629 CB GLU A 108 7.504 -6.817 1.057 1.00 0.00 C ATOM 1630 CG GLU A 108 8.436 -7.123 -0.105 1.00 0.00 C ATOM 1631 CD GLU A 108 9.884 -6.823 0.220 1.00 0.00 C ATOM 1632 OE1 GLU A 108 10.505 -7.613 0.960 1.00 0.00 O ATOM 1633 OE2 GLU A 108 10.412 -5.805 -0.261 1.00 0.00 O ATOM 0 H GLU A 108 4.974 -8.149 2.602 1.00 0.00 H new ATOM 0 HA GLU A 108 5.613 -7.222 0.105 1.00 0.00 H new ATOM 0 HB2 GLU A 108 7.309 -5.745 1.085 1.00 0.00 H new ATOM 0 HB3 GLU A 108 8.002 -7.075 1.992 1.00 0.00 H new ATOM 0 HG2 GLU A 108 8.338 -8.174 -0.378 1.00 0.00 H new ATOM 0 HG3 GLU A 108 8.133 -6.538 -0.974 1.00 0.00 H new ATOM 1640 N GLU A 109 6.751 -9.658 2.003 1.00 0.00 N ATOM 1641 CA GLU A 109 7.285 -11.014 2.055 1.00 0.00 C ATOM 1642 C GLU A 109 6.412 -12.009 1.288 1.00 0.00 C ATOM 1643 O GLU A 109 6.924 -12.958 0.697 1.00 0.00 O ATOM 1644 CB GLU A 109 7.437 -11.438 3.514 1.00 0.00 C ATOM 1645 CG GLU A 109 8.301 -10.482 4.323 1.00 0.00 C ATOM 1646 CD GLU A 109 8.335 -10.813 5.801 1.00 0.00 C ATOM 1647 OE1 GLU A 109 9.071 -11.744 6.194 1.00 0.00 O ATOM 1648 OE2 GLU A 109 7.644 -10.126 6.581 1.00 0.00 O ATOM 0 H GLU A 109 6.613 -9.231 2.919 1.00 0.00 H new ATOM 0 HA GLU A 109 8.260 -11.016 1.568 1.00 0.00 H new ATOM 0 HB2 GLU A 109 6.450 -11.504 3.972 1.00 0.00 H new ATOM 0 HB3 GLU A 109 7.874 -12.436 3.553 1.00 0.00 H new ATOM 0 HG2 GLU A 109 9.317 -10.500 3.930 1.00 0.00 H new ATOM 0 HG3 GLU A 109 7.927 -9.466 4.193 1.00 0.00 H new ATOM 1655 N LEU A 110 5.103 -11.777 1.270 1.00 0.00 N ATOM 1656 CA LEU A 110 4.190 -12.658 0.547 1.00 0.00 C ATOM 1657 C LEU A 110 4.363 -12.515 -0.963 1.00 0.00 C ATOM 1658 O LEU A 110 4.401 -13.508 -1.686 1.00 0.00 O ATOM 1659 CB LEU A 110 2.740 -12.341 0.926 1.00 0.00 C ATOM 1660 CG LEU A 110 1.679 -13.168 0.198 1.00 0.00 C ATOM 1661 CD1 LEU A 110 1.785 -14.637 0.580 1.00 0.00 C ATOM 1662 CD2 LEU A 110 0.290 -12.631 0.500 1.00 0.00 C ATOM 0 H LEU A 110 4.653 -10.994 1.743 1.00 0.00 H new ATOM 0 HA LEU A 110 4.426 -13.685 0.827 1.00 0.00 H new ATOM 0 HB2 LEU A 110 2.621 -12.491 1.999 1.00 0.00 H new ATOM 0 HB3 LEU A 110 2.553 -11.285 0.729 1.00 0.00 H new ATOM 0 HG LEU A 110 1.854 -13.085 -0.875 1.00 0.00 H new ATOM 0 HD11 LEU A 110 1.021 -15.207 0.051 1.00 0.00 H new ATOM 0 HD12 LEU A 110 2.771 -15.013 0.309 1.00 0.00 H new ATOM 0 HD13 LEU A 110 1.639 -14.745 1.655 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -0.454 -13.230 -0.025 1.00 0.00 H new ATOM 0 HD22 LEU A 110 0.105 -12.682 1.573 1.00 0.00 H new ATOM 0 HD23 LEU A 110 0.221 -11.595 0.169 1.00 0.00 H new ATOM 1674 N LEU A 111 4.513 -11.286 -1.428 1.00 0.00 N ATOM 1675 CA LEU A 111 4.603 -11.020 -2.858 1.00 0.00 C ATOM 1676 C LEU A 111 6.049 -11.060 -3.334 1.00 0.00 C ATOM 1677 O LEU A 111 6.326 -11.086 -4.532 1.00 0.00 O ATOM 1678 CB LEU A 111 3.925 -9.694 -3.232 1.00 0.00 C ATOM 1679 CG LEU A 111 4.227 -8.487 -2.351 1.00 0.00 C ATOM 1680 CD1 LEU A 111 4.092 -7.227 -3.174 1.00 0.00 C ATOM 1681 CD2 LEU A 111 3.280 -8.413 -1.155 1.00 0.00 C ATOM 0 H LEU A 111 4.575 -10.456 -0.839 1.00 0.00 H new ATOM 0 HA LEU A 111 4.062 -11.814 -3.373 1.00 0.00 H new ATOM 0 HB2 LEU A 111 4.209 -9.446 -4.255 1.00 0.00 H new ATOM 0 HB3 LEU A 111 2.847 -9.853 -3.230 1.00 0.00 H new ATOM 0 HG LEU A 111 5.243 -8.588 -1.971 1.00 0.00 H new ATOM 0 HD11 LEU A 111 4.307 -6.360 -2.550 1.00 0.00 H new ATOM 0 HD12 LEU A 111 4.796 -7.259 -4.006 1.00 0.00 H new ATOM 0 HD13 LEU A 111 3.076 -7.153 -3.561 1.00 0.00 H new ATOM 0 HD21 LEU A 111 3.526 -7.540 -0.550 1.00 0.00 H new ATOM 0 HD22 LEU A 111 2.252 -8.332 -1.509 1.00 0.00 H new ATOM 0 HD23 LEU A 111 3.385 -9.314 -0.551 1.00 0.00 H new