USER MOD reduce.3.24.130724 H: found=0, std=0, add=837, rem=0, adj=13 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 180:sc= 0.763 USER MOD Set 1.2: A 74 GLN : amide:sc= 0.293 X(o=1.1,f=0.88) USER MOD Set 2.1: A 37 GLN : amide:sc= -0.929 K(o=-0.47,f=-2.4) USER MOD Set 2.2: A 72 HIS : no HE2:sc= 0.461 K(o=-0.47,f=-5.8!) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 15 CYS SG : rot 45:sc= 0.288 USER MOD Single : A 16 CYS SG : rot 180:sc= -1.31 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 ASN : amide:sc= -0.337 K(o=-0.34,f=-3.1!) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 HIS : no HD1:sc= 0.127 K(o=0.13,f=-5.8!) USER MOD Single : A 29 HIS : no HD1:sc= -0.865 K(o=-0.86,f=-0.15) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ -144:sc= 0.0527 (180deg=0) USER MOD Single : A 38 TYR OH : rot 165:sc= 0 USER MOD Single : A 46 SER OG : rot -83:sc= 1.24 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 ASN : amide:sc= -1.79! K(o=-1.8!,f=-0.1) USER MOD Single : A 66 ASN : amide:sc= -0.141 K(o=-0.14,f=-0.73) USER MOD Single : A 69 LYS NZ :NH3+ 164:sc= 0.586 (180deg=0.00349) USER MOD Single : A 73 GLN : amide:sc= -1.33! K(o=-1.3!,f=-0.0049) USER MOD Single : A 77 SER OG : rot 75:sc= 0.785 USER MOD Single : A 84 ASN : amide:sc= 0 X(o=0,f=-0.062) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 GLN : amide:sc= -0.512 K(o=-0.51,f=-1.3) USER MOD Single : A 100 GLN : amide:sc= 0.765 K(o=0.77,f=-1.4!) USER MOD Single : A 101 LYS NZ :NH3+ 129:sc= 0.0616 (180deg=-0.233) USER MOD Single : A 105 GLN : amide:sc= -5.26! K(o=-5.3!,f=-1.2) USER MOD ----------------------------------------------------------------- ATOM 41 N PRO A 7 -6.623 -19.857 -0.702 1.00 0.00 N ATOM 42 CA PRO A 7 -5.819 -19.323 0.402 1.00 0.00 C ATOM 43 C PRO A 7 -5.386 -17.895 0.151 1.00 0.00 C ATOM 44 O PRO A 7 -5.069 -17.154 1.076 1.00 0.00 O ATOM 45 CB PRO A 7 -4.596 -20.242 0.441 1.00 0.00 C ATOM 46 CG PRO A 7 -4.515 -20.859 -0.915 1.00 0.00 C ATOM 47 CD PRO A 7 -5.920 -20.906 -1.453 1.00 0.00 C ATOM 0 HA PRO A 7 -6.381 -19.301 1.336 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -3.691 -19.680 0.671 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -4.703 -21.004 1.213 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -3.869 -20.273 -1.569 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -4.088 -21.860 -0.860 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -5.943 -20.713 -2.526 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -6.376 -21.884 -1.295 1.00 0.00 H new ATOM 55 N PHE A 8 -5.377 -17.520 -1.112 1.00 0.00 N ATOM 56 CA PHE A 8 -4.928 -16.211 -1.515 1.00 0.00 C ATOM 57 C PHE A 8 -5.688 -15.751 -2.737 1.00 0.00 C ATOM 58 O PHE A 8 -6.155 -16.567 -3.533 1.00 0.00 O ATOM 59 CB PHE A 8 -3.427 -16.235 -1.782 1.00 0.00 C ATOM 60 CG PHE A 8 -2.626 -16.026 -0.535 1.00 0.00 C ATOM 61 CD1 PHE A 8 -2.887 -14.939 0.280 1.00 0.00 C ATOM 62 CD2 PHE A 8 -1.641 -16.925 -0.160 1.00 0.00 C ATOM 63 CE1 PHE A 8 -2.178 -14.743 1.442 1.00 0.00 C ATOM 64 CE2 PHE A 8 -0.928 -16.734 1.007 1.00 0.00 C ATOM 65 CZ PHE A 8 -1.200 -15.641 1.807 1.00 0.00 C ATOM 0 H PHE A 8 -5.681 -18.115 -1.883 1.00 0.00 H new ATOM 0 HA PHE A 8 -5.122 -15.503 -0.710 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -3.155 -17.191 -2.230 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -3.176 -15.460 -2.507 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -3.657 -14.236 0.000 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -1.429 -17.781 -0.784 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -2.388 -13.887 2.066 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -0.160 -17.437 1.294 1.00 0.00 H new ATOM 0 HZ PHE A 8 -0.644 -15.491 2.721 1.00 0.00 H new ATOM 75 N THR A 9 -5.819 -14.445 -2.869 1.00 0.00 N ATOM 76 CA THR A 9 -6.610 -13.862 -3.925 1.00 0.00 C ATOM 77 C THR A 9 -6.387 -12.356 -3.972 1.00 0.00 C ATOM 78 O THR A 9 -6.496 -11.684 -2.951 1.00 0.00 O ATOM 79 CB THR A 9 -8.109 -14.189 -3.723 1.00 0.00 C ATOM 80 OG1 THR A 9 -8.900 -13.569 -4.741 1.00 0.00 O ATOM 81 CG2 THR A 9 -8.598 -13.761 -2.345 1.00 0.00 C ATOM 0 H THR A 9 -5.381 -13.765 -2.248 1.00 0.00 H new ATOM 0 HA THR A 9 -6.296 -14.289 -4.877 1.00 0.00 H new ATOM 0 HB THR A 9 -8.220 -15.271 -3.796 1.00 0.00 H new ATOM 0 HG1 THR A 9 -9.845 -13.787 -4.599 1.00 0.00 H new ATOM 0 HG21 THR A 9 -9.655 -14.007 -2.241 1.00 0.00 H new ATOM 0 HG22 THR A 9 -8.027 -14.283 -1.578 1.00 0.00 H new ATOM 0 HG23 THR A 9 -8.463 -12.686 -2.229 1.00 0.00 H new ATOM 89 N MET A 10 -6.023 -11.854 -5.154 1.00 0.00 N ATOM 90 CA MET A 10 -5.783 -10.422 -5.372 1.00 0.00 C ATOM 91 C MET A 10 -4.884 -9.854 -4.272 1.00 0.00 C ATOM 92 O MET A 10 -5.277 -8.964 -3.520 1.00 0.00 O ATOM 93 CB MET A 10 -7.110 -9.656 -5.430 1.00 0.00 C ATOM 94 CG MET A 10 -8.128 -10.280 -6.371 1.00 0.00 C ATOM 95 SD MET A 10 -7.480 -10.544 -8.035 1.00 0.00 S ATOM 96 CE MET A 10 -8.865 -11.386 -8.801 1.00 0.00 C ATOM 0 H MET A 10 -5.886 -12.426 -5.987 1.00 0.00 H new ATOM 0 HA MET A 10 -5.274 -10.302 -6.328 1.00 0.00 H new ATOM 0 HB2 MET A 10 -7.536 -9.606 -4.428 1.00 0.00 H new ATOM 0 HB3 MET A 10 -6.916 -8.631 -5.745 1.00 0.00 H new ATOM 0 HG2 MET A 10 -8.458 -11.234 -5.960 1.00 0.00 H new ATOM 0 HG3 MET A 10 -9.006 -9.636 -6.427 1.00 0.00 H new ATOM 0 HE1 MET A 10 -8.621 -11.619 -9.838 1.00 0.00 H new ATOM 0 HE2 MET A 10 -9.073 -12.310 -8.261 1.00 0.00 H new ATOM 0 HE3 MET A 10 -9.744 -10.742 -8.771 1.00 0.00 H new ATOM 106 N LEU A 11 -3.679 -10.395 -4.187 1.00 0.00 N ATOM 107 CA LEU A 11 -2.758 -10.063 -3.110 1.00 0.00 C ATOM 108 C LEU A 11 -2.117 -8.685 -3.298 1.00 0.00 C ATOM 109 O LEU A 11 -2.174 -8.106 -4.388 1.00 0.00 O ATOM 110 CB LEU A 11 -1.674 -11.154 -2.921 1.00 0.00 C ATOM 111 CG LEU A 11 -1.156 -11.906 -4.168 1.00 0.00 C ATOM 112 CD1 LEU A 11 -2.188 -12.897 -4.690 1.00 0.00 C ATOM 113 CD2 LEU A 11 -0.731 -10.943 -5.267 1.00 0.00 C ATOM 0 H LEU A 11 -3.313 -11.072 -4.857 1.00 0.00 H new ATOM 0 HA LEU A 11 -3.355 -10.023 -2.199 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -0.817 -10.688 -2.436 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -2.069 -11.896 -2.227 1.00 0.00 H new ATOM 0 HG LEU A 11 -0.275 -12.469 -3.858 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -1.791 -13.408 -5.567 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -2.414 -13.629 -3.915 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -3.099 -12.364 -4.962 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -0.373 -11.508 -6.127 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -1.583 -10.331 -5.564 1.00 0.00 H new ATOM 0 HD23 LEU A 11 0.067 -10.299 -4.898 1.00 0.00 H new ATOM 125 N PRO A 12 -1.506 -8.144 -2.221 1.00 0.00 N ATOM 126 CA PRO A 12 -0.840 -6.831 -2.232 1.00 0.00 C ATOM 127 C PRO A 12 0.249 -6.722 -3.292 1.00 0.00 C ATOM 128 O PRO A 12 0.758 -7.727 -3.795 1.00 0.00 O ATOM 129 CB PRO A 12 -0.212 -6.729 -0.836 1.00 0.00 C ATOM 130 CG PRO A 12 -0.174 -8.130 -0.341 1.00 0.00 C ATOM 131 CD PRO A 12 -1.412 -8.761 -0.890 1.00 0.00 C ATOM 0 HA PRO A 12 -1.548 -6.036 -2.466 1.00 0.00 H new ATOM 0 HB2 PRO A 12 0.788 -6.297 -0.881 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -0.805 -6.092 -0.180 1.00 0.00 H new ATOM 0 HG2 PRO A 12 0.721 -8.648 -0.687 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -0.162 -8.165 0.748 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -1.325 -9.846 -0.949 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -2.287 -8.544 -0.277 1.00 0.00 H new ATOM 139 N ARG A 13 0.612 -5.495 -3.611 1.00 0.00 N ATOM 140 CA ARG A 13 1.589 -5.232 -4.646 1.00 0.00 C ATOM 141 C ARG A 13 2.441 -4.032 -4.268 1.00 0.00 C ATOM 142 O ARG A 13 1.912 -2.968 -3.932 1.00 0.00 O ATOM 143 CB ARG A 13 0.859 -4.985 -5.963 1.00 0.00 C ATOM 144 CG ARG A 13 1.755 -4.670 -7.149 1.00 0.00 C ATOM 145 CD ARG A 13 0.918 -4.428 -8.397 1.00 0.00 C ATOM 146 NE ARG A 13 -0.013 -3.307 -8.224 1.00 0.00 N ATOM 147 CZ ARG A 13 -1.320 -3.443 -7.959 1.00 0.00 C ATOM 148 NH1 ARG A 13 -1.862 -4.648 -7.818 1.00 0.00 N ATOM 149 NH2 ARG A 13 -2.082 -2.367 -7.823 1.00 0.00 N ATOM 0 H ARG A 13 0.240 -4.658 -3.162 1.00 0.00 H new ATOM 0 HA ARG A 13 2.250 -6.091 -4.758 1.00 0.00 H new ATOM 0 HB2 ARG A 13 0.264 -5.867 -6.201 1.00 0.00 H new ATOM 0 HB3 ARG A 13 0.162 -4.158 -5.824 1.00 0.00 H new ATOM 0 HG2 ARG A 13 2.359 -3.789 -6.932 1.00 0.00 H new ATOM 0 HG3 ARG A 13 2.445 -5.496 -7.321 1.00 0.00 H new ATOM 0 HD2 ARG A 13 1.576 -4.226 -9.242 1.00 0.00 H new ATOM 0 HD3 ARG A 13 0.358 -5.331 -8.639 1.00 0.00 H new ATOM 0 HE ARG A 13 0.359 -2.361 -8.311 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -1.282 -5.482 -7.911 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -2.858 -4.739 -7.616 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -1.674 -1.437 -7.920 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -3.077 -2.469 -7.621 1.00 0.00 H new ATOM 163 N LEU A 14 3.753 -4.209 -4.301 1.00 0.00 N ATOM 164 CA LEU A 14 4.668 -3.117 -4.022 1.00 0.00 C ATOM 165 C LEU A 14 4.874 -2.312 -5.293 1.00 0.00 C ATOM 166 O LEU A 14 5.541 -2.759 -6.227 1.00 0.00 O ATOM 167 CB LEU A 14 6.008 -3.647 -3.501 1.00 0.00 C ATOM 168 CG LEU A 14 7.000 -2.577 -3.030 1.00 0.00 C ATOM 169 CD1 LEU A 14 6.468 -1.840 -1.807 1.00 0.00 C ATOM 170 CD2 LEU A 14 8.350 -3.203 -2.721 1.00 0.00 C ATOM 0 H LEU A 14 4.206 -5.097 -4.518 1.00 0.00 H new ATOM 0 HA LEU A 14 4.241 -2.479 -3.248 1.00 0.00 H new ATOM 0 HB2 LEU A 14 5.813 -4.327 -2.672 1.00 0.00 H new ATOM 0 HB3 LEU A 14 6.479 -4.233 -4.290 1.00 0.00 H new ATOM 0 HG LEU A 14 7.124 -1.854 -3.836 1.00 0.00 H new ATOM 0 HD11 LEU A 14 7.191 -1.087 -1.493 1.00 0.00 H new ATOM 0 HD12 LEU A 14 5.524 -1.356 -2.056 1.00 0.00 H new ATOM 0 HD13 LEU A 14 6.308 -2.550 -0.995 1.00 0.00 H new ATOM 0 HD21 LEU A 14 9.042 -2.430 -2.388 1.00 0.00 H new ATOM 0 HD22 LEU A 14 8.234 -3.949 -1.935 1.00 0.00 H new ATOM 0 HD23 LEU A 14 8.744 -3.680 -3.618 1.00 0.00 H new ATOM 182 N CYS A 15 4.275 -1.138 -5.322 1.00 0.00 N ATOM 183 CA CYS A 15 4.290 -0.293 -6.499 1.00 0.00 C ATOM 184 C CYS A 15 5.399 0.748 -6.396 1.00 0.00 C ATOM 185 O CYS A 15 5.374 1.610 -5.518 1.00 0.00 O ATOM 186 CB CYS A 15 2.929 0.390 -6.643 1.00 0.00 C ATOM 187 SG CYS A 15 1.528 -0.749 -6.533 1.00 0.00 S ATOM 0 H CYS A 15 3.765 -0.744 -4.532 1.00 0.00 H new ATOM 0 HA CYS A 15 4.484 -0.905 -7.380 1.00 0.00 H new ATOM 0 HB2 CYS A 15 2.830 1.150 -5.868 1.00 0.00 H new ATOM 0 HB3 CYS A 15 2.891 0.907 -7.602 1.00 0.00 H new ATOM 0 HG CYS A 15 1.713 -1.570 -5.542 1.00 0.00 H new ATOM 193 N CYS A 16 6.379 0.649 -7.279 1.00 0.00 N ATOM 194 CA CYS A 16 7.489 1.586 -7.292 1.00 0.00 C ATOM 195 C CYS A 16 7.268 2.654 -8.357 1.00 0.00 C ATOM 196 O CYS A 16 7.295 2.364 -9.553 1.00 0.00 O ATOM 197 CB CYS A 16 8.793 0.836 -7.564 1.00 0.00 C ATOM 198 SG CYS A 16 9.050 -0.599 -6.494 1.00 0.00 S ATOM 0 H CYS A 16 6.428 -0.073 -7.998 1.00 0.00 H new ATOM 0 HA CYS A 16 7.552 2.074 -6.319 1.00 0.00 H new ATOM 0 HB2 CYS A 16 8.802 0.508 -8.603 1.00 0.00 H new ATOM 0 HB3 CYS A 16 9.629 1.524 -7.440 1.00 0.00 H new ATOM 0 HG CYS A 16 10.177 -1.171 -6.799 1.00 0.00 H new ATOM 204 N LEU A 17 7.043 3.883 -7.921 1.00 0.00 N ATOM 205 CA LEU A 17 6.826 4.986 -8.844 1.00 0.00 C ATOM 206 C LEU A 17 7.861 6.076 -8.622 1.00 0.00 C ATOM 207 O LEU A 17 8.381 6.234 -7.518 1.00 0.00 O ATOM 208 CB LEU A 17 5.411 5.567 -8.716 1.00 0.00 C ATOM 209 CG LEU A 17 4.952 5.938 -7.306 1.00 0.00 C ATOM 210 CD1 LEU A 17 3.850 6.967 -7.384 1.00 0.00 C ATOM 211 CD2 LEU A 17 4.452 4.716 -6.552 1.00 0.00 C ATOM 0 H LEU A 17 7.006 4.142 -6.935 1.00 0.00 H new ATOM 0 HA LEU A 17 6.933 4.591 -9.854 1.00 0.00 H new ATOM 0 HB2 LEU A 17 5.350 6.458 -9.340 1.00 0.00 H new ATOM 0 HB3 LEU A 17 4.706 4.843 -9.125 1.00 0.00 H new ATOM 0 HG LEU A 17 5.806 6.349 -6.768 1.00 0.00 H new ATOM 0 HD11 LEU A 17 3.525 7.229 -6.377 1.00 0.00 H new ATOM 0 HD12 LEU A 17 4.220 7.859 -7.890 1.00 0.00 H new ATOM 0 HD13 LEU A 17 3.008 6.557 -7.942 1.00 0.00 H new ATOM 0 HD21 LEU A 17 4.132 5.011 -5.552 1.00 0.00 H new ATOM 0 HD22 LEU A 17 3.610 4.277 -7.088 1.00 0.00 H new ATOM 0 HD23 LEU A 17 5.255 3.983 -6.475 1.00 0.00 H new ATOM 223 N GLU A 18 8.135 6.835 -9.672 1.00 0.00 N ATOM 224 CA GLU A 18 9.204 7.820 -9.660 1.00 0.00 C ATOM 225 C GLU A 18 8.623 9.221 -9.610 1.00 0.00 C ATOM 226 O GLU A 18 7.546 9.471 -10.138 1.00 0.00 O ATOM 227 CB GLU A 18 10.072 7.661 -10.909 1.00 0.00 C ATOM 228 CG GLU A 18 10.679 6.276 -11.055 1.00 0.00 C ATOM 229 CD GLU A 18 11.419 6.098 -12.362 1.00 0.00 C ATOM 230 OE1 GLU A 18 12.622 6.426 -12.420 1.00 0.00 O ATOM 231 OE2 GLU A 18 10.795 5.636 -13.345 1.00 0.00 O ATOM 0 H GLU A 18 7.624 6.785 -10.553 1.00 0.00 H new ATOM 0 HA GLU A 18 9.820 7.662 -8.775 1.00 0.00 H new ATOM 0 HB2 GLU A 18 9.469 7.879 -11.790 1.00 0.00 H new ATOM 0 HB3 GLU A 18 10.874 8.399 -10.881 1.00 0.00 H new ATOM 0 HG2 GLU A 18 11.364 6.095 -10.227 1.00 0.00 H new ATOM 0 HG3 GLU A 18 9.889 5.528 -10.985 1.00 0.00 H new ATOM 238 N LYS A 19 9.333 10.122 -8.957 1.00 0.00 N ATOM 239 CA LYS A 19 8.884 11.496 -8.825 1.00 0.00 C ATOM 240 C LYS A 19 9.161 12.271 -10.109 1.00 0.00 C ATOM 241 O LYS A 19 10.313 12.427 -10.513 1.00 0.00 O ATOM 242 CB LYS A 19 9.582 12.174 -7.646 1.00 0.00 C ATOM 243 CG LYS A 19 8.861 13.411 -7.137 1.00 0.00 C ATOM 244 CD LYS A 19 9.679 14.130 -6.080 1.00 0.00 C ATOM 245 CE LYS A 19 10.850 14.865 -6.704 1.00 0.00 C ATOM 246 NZ LYS A 19 11.683 15.551 -5.685 1.00 0.00 N ATOM 0 H LYS A 19 10.227 9.926 -8.508 1.00 0.00 H new ATOM 0 HA LYS A 19 7.810 11.490 -8.642 1.00 0.00 H new ATOM 0 HB2 LYS A 19 9.675 11.457 -6.830 1.00 0.00 H new ATOM 0 HB3 LYS A 19 10.593 12.451 -7.944 1.00 0.00 H new ATOM 0 HG2 LYS A 19 8.663 14.087 -7.969 1.00 0.00 H new ATOM 0 HG3 LYS A 19 7.895 13.126 -6.721 1.00 0.00 H new ATOM 0 HD2 LYS A 19 9.046 14.837 -5.544 1.00 0.00 H new ATOM 0 HD3 LYS A 19 10.045 13.411 -5.347 1.00 0.00 H new ATOM 0 HE2 LYS A 19 11.466 14.159 -7.260 1.00 0.00 H new ATOM 0 HE3 LYS A 19 10.478 15.597 -7.421 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 12.472 16.041 -6.154 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 11.102 16.244 -5.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 12.060 14.850 -5.015 1.00 0.00 H new ATOM 260 N GLY A 20 8.103 12.751 -10.741 1.00 0.00 N ATOM 261 CA GLY A 20 8.240 13.520 -11.955 1.00 0.00 C ATOM 262 C GLY A 20 8.003 15.001 -11.721 1.00 0.00 C ATOM 263 O GLY A 20 8.220 15.495 -10.613 1.00 0.00 O ATOM 0 H GLY A 20 7.141 12.619 -10.429 1.00 0.00 H new ATOM 0 HA2 GLY A 20 9.239 13.373 -12.366 1.00 0.00 H new ATOM 0 HA3 GLY A 20 7.532 13.153 -12.698 1.00 0.00 H new ATOM 267 N PRO A 21 7.524 15.730 -12.745 1.00 0.00 N ATOM 268 CA PRO A 21 7.331 17.186 -12.670 1.00 0.00 C ATOM 269 C PRO A 21 6.183 17.596 -11.745 1.00 0.00 C ATOM 270 O PRO A 21 6.087 18.751 -11.334 1.00 0.00 O ATOM 271 CB PRO A 21 7.005 17.572 -14.115 1.00 0.00 C ATOM 272 CG PRO A 21 6.421 16.340 -14.712 1.00 0.00 C ATOM 273 CD PRO A 21 7.136 15.189 -14.063 1.00 0.00 C ATOM 0 HA PRO A 21 8.210 17.682 -12.258 1.00 0.00 H new ATOM 0 HB2 PRO A 21 6.301 18.403 -14.154 1.00 0.00 H new ATOM 0 HB3 PRO A 21 7.900 17.887 -14.652 1.00 0.00 H new ATOM 0 HG2 PRO A 21 5.348 16.287 -14.527 1.00 0.00 H new ATOM 0 HG3 PRO A 21 6.560 16.326 -15.793 1.00 0.00 H new ATOM 0 HD2 PRO A 21 6.489 14.317 -13.965 1.00 0.00 H new ATOM 0 HD3 PRO A 21 8.006 14.878 -14.642 1.00 0.00 H new ATOM 281 N ASN A 22 5.310 16.651 -11.426 1.00 0.00 N ATOM 282 CA ASN A 22 4.167 16.928 -10.561 1.00 0.00 C ATOM 283 C ASN A 22 4.218 16.061 -9.311 1.00 0.00 C ATOM 284 O ASN A 22 3.186 15.712 -8.733 1.00 0.00 O ATOM 285 CB ASN A 22 2.843 16.706 -11.311 1.00 0.00 C ATOM 286 CG ASN A 22 2.715 15.320 -11.929 1.00 0.00 C ATOM 287 OD1 ASN A 22 3.287 14.343 -11.446 1.00 0.00 O ATOM 288 ND2 ASN A 22 1.954 15.226 -13.009 1.00 0.00 N ATOM 0 H ASN A 22 5.369 15.686 -11.752 1.00 0.00 H new ATOM 0 HA ASN A 22 4.219 17.975 -10.261 1.00 0.00 H new ATOM 0 HB2 ASN A 22 2.014 16.865 -10.621 1.00 0.00 H new ATOM 0 HB3 ASN A 22 2.751 17.455 -12.098 1.00 0.00 H new ATOM 0 HD21 ASN A 22 1.828 14.323 -13.467 1.00 0.00 H new ATOM 0 HD22 ASN A 22 1.494 16.056 -13.383 1.00 0.00 H new ATOM 295 N GLY A 23 5.428 15.726 -8.887 1.00 0.00 N ATOM 296 CA GLY A 23 5.586 14.819 -7.778 1.00 0.00 C ATOM 297 C GLY A 23 5.384 13.392 -8.229 1.00 0.00 C ATOM 298 O GLY A 23 6.069 12.928 -9.128 1.00 0.00 O ATOM 0 H GLY A 23 6.299 16.067 -9.293 1.00 0.00 H new ATOM 0 HA2 GLY A 23 6.580 14.933 -7.346 1.00 0.00 H new ATOM 0 HA3 GLY A 23 4.869 15.064 -6.995 1.00 0.00 H new ATOM 302 N TYR A 24 4.437 12.695 -7.633 1.00 0.00 N ATOM 303 CA TYR A 24 4.161 11.326 -8.042 1.00 0.00 C ATOM 304 C TYR A 24 2.809 11.221 -8.737 1.00 0.00 C ATOM 305 O TYR A 24 2.507 10.219 -9.382 1.00 0.00 O ATOM 306 CB TYR A 24 4.224 10.382 -6.845 1.00 0.00 C ATOM 307 CG TYR A 24 5.600 10.262 -6.241 1.00 0.00 C ATOM 308 CD1 TYR A 24 6.516 9.357 -6.751 1.00 0.00 C ATOM 309 CD2 TYR A 24 5.984 11.047 -5.161 1.00 0.00 C ATOM 310 CE1 TYR A 24 7.777 9.236 -6.211 1.00 0.00 C ATOM 311 CE2 TYR A 24 7.246 10.932 -4.611 1.00 0.00 C ATOM 312 CZ TYR A 24 8.138 10.024 -5.141 1.00 0.00 C ATOM 313 OH TYR A 24 9.398 9.908 -4.605 1.00 0.00 O ATOM 0 H TYR A 24 3.851 13.044 -6.874 1.00 0.00 H new ATOM 0 HA TYR A 24 4.930 11.030 -8.756 1.00 0.00 H new ATOM 0 HB2 TYR A 24 3.530 10.732 -6.080 1.00 0.00 H new ATOM 0 HB3 TYR A 24 3.885 9.393 -7.155 1.00 0.00 H new ATOM 0 HD1 TYR A 24 6.236 8.734 -7.588 1.00 0.00 H new ATOM 0 HD2 TYR A 24 5.285 11.758 -4.745 1.00 0.00 H new ATOM 0 HE1 TYR A 24 8.479 8.527 -6.624 1.00 0.00 H new ATOM 0 HE2 TYR A 24 7.532 11.549 -3.772 1.00 0.00 H new ATOM 0 HH TYR A 24 9.494 10.534 -3.857 1.00 0.00 H new ATOM 323 N GLY A 25 2.005 12.270 -8.607 1.00 0.00 N ATOM 324 CA GLY A 25 0.734 12.323 -9.303 1.00 0.00 C ATOM 325 C GLY A 25 -0.363 11.534 -8.616 1.00 0.00 C ATOM 326 O GLY A 25 -1.242 10.985 -9.275 1.00 0.00 O ATOM 0 H GLY A 25 2.212 13.086 -8.031 1.00 0.00 H new ATOM 0 HA2 GLY A 25 0.421 13.363 -9.393 1.00 0.00 H new ATOM 0 HA3 GLY A 25 0.866 11.941 -10.315 1.00 0.00 H new ATOM 330 N PHE A 26 -0.327 11.477 -7.296 1.00 0.00 N ATOM 331 CA PHE A 26 -1.379 10.804 -6.551 1.00 0.00 C ATOM 332 C PHE A 26 -1.727 11.604 -5.306 1.00 0.00 C ATOM 333 O PHE A 26 -0.896 12.343 -4.779 1.00 0.00 O ATOM 334 CB PHE A 26 -0.967 9.370 -6.173 1.00 0.00 C ATOM 335 CG PHE A 26 -0.002 9.276 -5.018 1.00 0.00 C ATOM 336 CD1 PHE A 26 1.359 9.438 -5.212 1.00 0.00 C ATOM 337 CD2 PHE A 26 -0.464 9.020 -3.734 1.00 0.00 C ATOM 338 CE1 PHE A 26 2.241 9.349 -4.151 1.00 0.00 C ATOM 339 CE2 PHE A 26 0.414 8.930 -2.670 1.00 0.00 C ATOM 340 CZ PHE A 26 1.768 9.095 -2.879 1.00 0.00 C ATOM 0 H PHE A 26 0.411 11.884 -6.722 1.00 0.00 H new ATOM 0 HA PHE A 26 -2.260 10.738 -7.189 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -1.864 8.802 -5.927 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -0.517 8.894 -7.044 1.00 0.00 H new ATOM 0 HD1 PHE A 26 1.736 9.636 -6.204 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -1.523 8.890 -3.564 1.00 0.00 H new ATOM 0 HE1 PHE A 26 3.300 9.478 -4.317 1.00 0.00 H new ATOM 0 HE2 PHE A 26 0.041 8.731 -1.676 1.00 0.00 H new ATOM 0 HZ PHE A 26 2.456 9.026 -2.049 1.00 0.00 H new ATOM 350 N HIS A 27 -2.963 11.472 -4.862 1.00 0.00 N ATOM 351 CA HIS A 27 -3.418 12.139 -3.650 1.00 0.00 C ATOM 352 C HIS A 27 -3.694 11.093 -2.582 1.00 0.00 C ATOM 353 O HIS A 27 -4.453 10.154 -2.812 1.00 0.00 O ATOM 354 CB HIS A 27 -4.686 12.968 -3.913 1.00 0.00 C ATOM 355 CG HIS A 27 -4.490 14.129 -4.848 1.00 0.00 C ATOM 356 ND1 HIS A 27 -4.984 15.394 -4.602 1.00 0.00 N ATOM 357 CD2 HIS A 27 -3.878 14.201 -6.054 1.00 0.00 C ATOM 358 CE1 HIS A 27 -4.687 16.185 -5.616 1.00 0.00 C ATOM 359 NE2 HIS A 27 -4.015 15.486 -6.508 1.00 0.00 N ATOM 0 H HIS A 27 -3.675 10.906 -5.323 1.00 0.00 H new ATOM 0 HA HIS A 27 -2.638 12.821 -3.312 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -5.454 12.313 -4.324 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -5.063 13.344 -2.962 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -3.374 13.393 -6.564 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -4.950 17.229 -5.700 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -3.655 15.844 -7.393 1.00 0.00 H new ATOM 368 N LEU A 28 -3.073 11.250 -1.428 1.00 0.00 N ATOM 369 CA LEU A 28 -3.203 10.279 -0.353 1.00 0.00 C ATOM 370 C LEU A 28 -3.996 10.880 0.798 1.00 0.00 C ATOM 371 O LEU A 28 -3.714 11.999 1.228 1.00 0.00 O ATOM 372 CB LEU A 28 -1.817 9.854 0.137 1.00 0.00 C ATOM 373 CG LEU A 28 -1.803 8.750 1.196 1.00 0.00 C ATOM 374 CD1 LEU A 28 -2.252 7.424 0.599 1.00 0.00 C ATOM 375 CD2 LEU A 28 -0.416 8.623 1.806 1.00 0.00 C ATOM 0 H LEU A 28 -2.471 12.043 -1.209 1.00 0.00 H new ATOM 0 HA LEU A 28 -3.732 9.403 -0.730 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -1.235 9.518 -0.721 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -1.310 10.729 0.543 1.00 0.00 H new ATOM 0 HG LEU A 28 -2.505 9.019 1.985 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -2.234 6.653 1.370 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -3.265 7.525 0.210 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -1.579 7.143 -0.211 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -0.420 7.834 2.558 1.00 0.00 H new ATOM 0 HD22 LEU A 28 0.304 8.377 1.025 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -0.136 9.567 2.273 1.00 0.00 H new ATOM 387 N HIS A 29 -4.988 10.153 1.297 1.00 0.00 N ATOM 388 CA HIS A 29 -5.796 10.659 2.396 1.00 0.00 C ATOM 389 C HIS A 29 -6.078 9.562 3.418 1.00 0.00 C ATOM 390 O HIS A 29 -6.121 8.378 3.080 1.00 0.00 O ATOM 391 CB HIS A 29 -7.115 11.269 1.882 1.00 0.00 C ATOM 392 CG HIS A 29 -8.237 10.286 1.678 1.00 0.00 C ATOM 393 ND1 HIS A 29 -9.460 10.412 2.297 1.00 0.00 N ATOM 394 CD2 HIS A 29 -8.324 9.174 0.907 1.00 0.00 C ATOM 395 CE1 HIS A 29 -10.249 9.428 1.914 1.00 0.00 C ATOM 396 NE2 HIS A 29 -9.585 8.661 1.073 1.00 0.00 N ATOM 0 H HIS A 29 -5.249 9.225 0.963 1.00 0.00 H new ATOM 0 HA HIS A 29 -5.226 11.447 2.888 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -7.444 12.031 2.588 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -6.919 11.774 0.936 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -7.545 8.768 0.279 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -11.269 9.276 2.236 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -9.949 7.823 0.620 1.00 0.00 H new ATOM 405 N GLY A 30 -6.253 9.971 4.661 1.00 0.00 N ATOM 406 CA GLY A 30 -6.634 9.056 5.708 1.00 0.00 C ATOM 407 C GLY A 30 -8.073 9.257 6.110 1.00 0.00 C ATOM 408 O GLY A 30 -8.459 10.347 6.533 1.00 0.00 O ATOM 0 H GLY A 30 -6.135 10.937 4.966 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -6.488 8.030 5.369 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -5.988 9.201 6.574 1.00 0.00 H new ATOM 412 N GLU A 31 -8.870 8.217 5.965 1.00 0.00 N ATOM 413 CA GLU A 31 -10.293 8.307 6.243 1.00 0.00 C ATOM 414 C GLU A 31 -10.565 8.406 7.738 1.00 0.00 C ATOM 415 O GLU A 31 -10.007 7.648 8.534 1.00 0.00 O ATOM 416 CB GLU A 31 -11.024 7.102 5.671 1.00 0.00 C ATOM 417 CG GLU A 31 -11.043 7.051 4.159 1.00 0.00 C ATOM 418 CD GLU A 31 -11.947 5.956 3.639 1.00 0.00 C ATOM 419 OE1 GLU A 31 -13.121 5.906 4.064 1.00 0.00 O ATOM 420 OE2 GLU A 31 -11.490 5.155 2.800 1.00 0.00 O ATOM 0 H GLU A 31 -8.557 7.297 5.656 1.00 0.00 H new ATOM 0 HA GLU A 31 -10.662 9.215 5.766 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -10.555 6.193 6.049 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -12.051 7.106 6.037 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -11.377 8.012 3.768 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -10.030 6.891 3.789 1.00 0.00 H new ATOM 427 N LYS A 32 -11.426 9.348 8.100 1.00 0.00 N ATOM 428 CA LYS A 32 -11.868 9.522 9.479 1.00 0.00 C ATOM 429 C LYS A 32 -12.512 8.240 10.000 1.00 0.00 C ATOM 430 O LYS A 32 -13.261 7.574 9.283 1.00 0.00 O ATOM 431 CB LYS A 32 -12.869 10.674 9.552 1.00 0.00 C ATOM 432 CG LYS A 32 -13.422 10.940 10.941 1.00 0.00 C ATOM 433 CD LYS A 32 -14.466 12.039 10.902 1.00 0.00 C ATOM 434 CE LYS A 32 -15.007 12.362 12.283 1.00 0.00 C ATOM 435 NZ LYS A 32 -16.067 13.401 12.217 1.00 0.00 N ATOM 0 H LYS A 32 -11.838 10.014 7.446 1.00 0.00 H new ATOM 0 HA LYS A 32 -11.003 9.751 10.101 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -12.387 11.581 9.187 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -13.699 10.461 8.879 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -13.862 10.028 11.343 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -12.612 11.225 11.612 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -14.030 12.937 10.465 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -15.288 11.735 10.253 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -15.409 11.457 12.739 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -14.195 12.708 12.923 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -16.417 13.601 13.176 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -15.675 14.271 11.803 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -16.852 13.059 11.626 1.00 0.00 H new ATOM 449 N GLY A 33 -12.208 7.889 11.240 1.00 0.00 N ATOM 450 CA GLY A 33 -12.738 6.671 11.816 1.00 0.00 C ATOM 451 C GLY A 33 -11.788 5.508 11.633 1.00 0.00 C ATOM 452 O GLY A 33 -11.549 4.735 12.559 1.00 0.00 O ATOM 0 H GLY A 33 -11.602 8.427 11.859 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -12.927 6.823 12.879 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -13.696 6.435 11.352 1.00 0.00 H new ATOM 456 N LYS A 34 -11.241 5.392 10.434 1.00 0.00 N ATOM 457 CA LYS A 34 -10.260 4.362 10.135 1.00 0.00 C ATOM 458 C LYS A 34 -8.872 4.825 10.567 1.00 0.00 C ATOM 459 O LYS A 34 -8.688 5.977 10.960 1.00 0.00 O ATOM 460 CB LYS A 34 -10.268 4.021 8.638 1.00 0.00 C ATOM 461 CG LYS A 34 -11.415 3.105 8.205 1.00 0.00 C ATOM 462 CD LYS A 34 -12.778 3.790 8.262 1.00 0.00 C ATOM 463 CE LYS A 34 -12.876 4.940 7.270 1.00 0.00 C ATOM 464 NZ LYS A 34 -14.262 5.469 7.148 1.00 0.00 N ATOM 0 H LYS A 34 -11.462 6.003 9.647 1.00 0.00 H new ATOM 0 HA LYS A 34 -10.522 3.461 10.690 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -10.324 4.948 8.067 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -9.322 3.545 8.381 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -11.231 2.757 7.188 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -11.430 2.223 8.846 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -13.560 3.061 8.051 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -12.955 4.164 9.270 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -12.210 5.744 7.583 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -12.531 4.603 6.292 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -14.441 5.749 6.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -14.941 4.732 7.427 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -14.374 6.296 7.769 1.00 0.00 H new ATOM 478 N LEU A 35 -7.899 3.932 10.484 1.00 0.00 N ATOM 479 CA LEU A 35 -6.545 4.236 10.928 1.00 0.00 C ATOM 480 C LEU A 35 -5.534 3.867 9.847 1.00 0.00 C ATOM 481 O LEU A 35 -4.427 3.415 10.135 1.00 0.00 O ATOM 482 CB LEU A 35 -6.214 3.503 12.242 1.00 0.00 C ATOM 483 CG LEU A 35 -6.107 1.973 12.166 1.00 0.00 C ATOM 484 CD1 LEU A 35 -5.371 1.443 13.384 1.00 0.00 C ATOM 485 CD2 LEU A 35 -7.481 1.322 12.071 1.00 0.00 C ATOM 0 H LEU A 35 -8.020 2.990 10.113 1.00 0.00 H new ATOM 0 HA LEU A 35 -6.485 5.308 11.114 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -5.269 3.892 12.621 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -6.980 3.755 12.975 1.00 0.00 H new ATOM 0 HG LEU A 35 -5.550 1.721 11.263 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -5.300 0.357 13.322 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -4.369 1.871 13.419 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -5.915 1.720 14.287 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -7.368 0.239 12.019 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -8.069 1.583 12.951 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -7.991 1.677 11.175 1.00 0.00 H new ATOM 497 N GLY A 36 -5.928 4.066 8.598 1.00 0.00 N ATOM 498 CA GLY A 36 -5.058 3.748 7.486 1.00 0.00 C ATOM 499 C GLY A 36 -5.156 4.776 6.384 1.00 0.00 C ATOM 500 O GLY A 36 -6.068 5.607 6.383 1.00 0.00 O ATOM 0 H GLY A 36 -6.838 4.443 8.335 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -4.028 3.688 7.836 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -5.318 2.766 7.091 1.00 0.00 H new ATOM 504 N GLN A 37 -4.227 4.723 5.444 1.00 0.00 N ATOM 505 CA GLN A 37 -4.211 5.667 4.338 1.00 0.00 C ATOM 506 C GLN A 37 -4.729 5.006 3.070 1.00 0.00 C ATOM 507 O GLN A 37 -4.520 3.814 2.853 1.00 0.00 O ATOM 508 CB GLN A 37 -2.799 6.192 4.095 1.00 0.00 C ATOM 509 CG GLN A 37 -2.194 6.935 5.273 1.00 0.00 C ATOM 510 CD GLN A 37 -3.043 8.095 5.748 1.00 0.00 C ATOM 511 OE1 GLN A 37 -2.955 9.208 5.222 1.00 0.00 O ATOM 512 NE2 GLN A 37 -3.838 7.856 6.777 1.00 0.00 N ATOM 0 H GLN A 37 -3.473 4.036 5.424 1.00 0.00 H new ATOM 0 HA GLN A 37 -4.859 6.503 4.601 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -2.152 5.353 3.839 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -2.815 6.857 3.231 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -2.049 6.238 6.098 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -1.208 7.306 4.992 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -3.881 6.921 7.182 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -4.409 8.607 7.166 1.00 0.00 H new ATOM 521 N TYR A 38 -5.409 5.783 2.242 1.00 0.00 N ATOM 522 CA TYR A 38 -5.976 5.268 1.005 1.00 0.00 C ATOM 523 C TYR A 38 -5.685 6.215 -0.149 1.00 0.00 C ATOM 524 O TYR A 38 -5.528 7.427 0.051 1.00 0.00 O ATOM 525 CB TYR A 38 -7.490 5.097 1.141 1.00 0.00 C ATOM 526 CG TYR A 38 -7.919 4.252 2.322 1.00 0.00 C ATOM 527 CD1 TYR A 38 -8.011 2.870 2.213 1.00 0.00 C ATOM 528 CD2 TYR A 38 -8.240 4.838 3.541 1.00 0.00 C ATOM 529 CE1 TYR A 38 -8.412 2.097 3.283 1.00 0.00 C ATOM 530 CE2 TYR A 38 -8.641 4.070 4.617 1.00 0.00 C ATOM 531 CZ TYR A 38 -8.725 2.700 4.483 1.00 0.00 C ATOM 532 OH TYR A 38 -9.129 1.928 5.549 1.00 0.00 O ATOM 0 H TYR A 38 -5.582 6.775 2.404 1.00 0.00 H new ATOM 0 HA TYR A 38 -5.518 4.300 0.803 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -7.949 6.082 1.229 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -7.876 4.646 0.227 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -7.765 2.393 1.276 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -8.175 5.911 3.649 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -8.481 1.024 3.181 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -8.887 4.540 5.558 1.00 0.00 H new ATOM 0 HH TYR A 38 -9.085 2.458 6.372 1.00 0.00 H new ATOM 542 N ILE A 39 -5.618 5.658 -1.351 1.00 0.00 N ATOM 543 CA ILE A 39 -5.441 6.455 -2.555 1.00 0.00 C ATOM 544 C ILE A 39 -6.716 7.238 -2.842 1.00 0.00 C ATOM 545 O ILE A 39 -7.758 6.655 -3.134 1.00 0.00 O ATOM 546 CB ILE A 39 -5.105 5.577 -3.783 1.00 0.00 C ATOM 547 CG1 ILE A 39 -3.858 4.723 -3.523 1.00 0.00 C ATOM 548 CG2 ILE A 39 -4.903 6.450 -5.016 1.00 0.00 C ATOM 549 CD1 ILE A 39 -2.578 5.523 -3.423 1.00 0.00 C ATOM 0 H ILE A 39 -5.684 4.654 -1.517 1.00 0.00 H new ATOM 0 HA ILE A 39 -4.606 7.133 -2.381 1.00 0.00 H new ATOM 0 HB ILE A 39 -5.944 4.905 -3.961 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -3.999 4.164 -2.598 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -3.756 3.992 -4.325 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -4.667 5.820 -5.873 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -5.815 7.011 -5.218 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -4.082 7.145 -4.839 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -1.741 4.849 -3.238 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -2.412 6.061 -4.356 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -2.658 6.236 -2.602 1.00 0.00 H new ATOM 561 N ARG A 40 -6.632 8.554 -2.743 1.00 0.00 N ATOM 562 CA ARG A 40 -7.793 9.406 -2.936 1.00 0.00 C ATOM 563 C ARG A 40 -7.959 9.737 -4.413 1.00 0.00 C ATOM 564 O ARG A 40 -9.071 9.756 -4.934 1.00 0.00 O ATOM 565 CB ARG A 40 -7.644 10.693 -2.111 1.00 0.00 C ATOM 566 CG ARG A 40 -8.967 11.340 -1.709 1.00 0.00 C ATOM 567 CD ARG A 40 -9.641 12.061 -2.867 1.00 0.00 C ATOM 568 NE ARG A 40 -8.887 13.241 -3.288 1.00 0.00 N ATOM 569 CZ ARG A 40 -9.134 13.923 -4.405 1.00 0.00 C ATOM 570 NH1 ARG A 40 -10.092 13.530 -5.237 1.00 0.00 N ATOM 571 NH2 ARG A 40 -8.426 15.007 -4.686 1.00 0.00 N ATOM 0 H ARG A 40 -5.770 9.056 -2.530 1.00 0.00 H new ATOM 0 HA ARG A 40 -8.683 8.876 -2.597 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -7.074 10.468 -1.209 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -7.061 11.413 -2.685 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -9.639 10.574 -1.322 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -8.790 12.047 -0.899 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -9.745 11.377 -3.709 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -10.647 12.359 -2.573 1.00 0.00 H new ATOM 0 HE ARG A 40 -8.125 13.561 -2.690 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -10.645 12.700 -5.023 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -10.275 14.058 -6.090 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -7.694 15.318 -4.048 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -8.613 15.531 -5.541 1.00 0.00 H new ATOM 585 N LEU A 41 -6.845 9.985 -5.086 1.00 0.00 N ATOM 586 CA LEU A 41 -6.877 10.366 -6.490 1.00 0.00 C ATOM 587 C LEU A 41 -5.589 9.974 -7.195 1.00 0.00 C ATOM 588 O LEU A 41 -4.510 10.032 -6.608 1.00 0.00 O ATOM 589 CB LEU A 41 -7.088 11.874 -6.628 1.00 0.00 C ATOM 590 CG LEU A 41 -6.979 12.416 -8.056 1.00 0.00 C ATOM 591 CD1 LEU A 41 -8.133 11.920 -8.916 1.00 0.00 C ATOM 592 CD2 LEU A 41 -6.922 13.932 -8.051 1.00 0.00 C ATOM 0 H LEU A 41 -5.909 9.929 -4.683 1.00 0.00 H new ATOM 0 HA LEU A 41 -7.708 9.836 -6.956 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -8.073 12.125 -6.235 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -6.356 12.386 -6.004 1.00 0.00 H new ATOM 0 HG LEU A 41 -6.052 12.042 -8.490 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -8.032 12.319 -9.925 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -8.117 10.831 -8.953 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -9.077 12.255 -8.486 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -6.845 14.297 -9.075 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -7.828 14.329 -7.592 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -6.053 14.262 -7.482 1.00 0.00 H new ATOM 604 N VAL A 42 -5.719 9.570 -8.449 1.00 0.00 N ATOM 605 CA VAL A 42 -4.576 9.327 -9.306 1.00 0.00 C ATOM 606 C VAL A 42 -4.661 10.254 -10.507 1.00 0.00 C ATOM 607 O VAL A 42 -5.609 10.174 -11.285 1.00 0.00 O ATOM 608 CB VAL A 42 -4.512 7.863 -9.787 1.00 0.00 C ATOM 609 CG1 VAL A 42 -3.215 7.602 -10.531 1.00 0.00 C ATOM 610 CG2 VAL A 42 -4.664 6.903 -8.618 1.00 0.00 C ATOM 0 H VAL A 42 -6.619 9.402 -8.898 1.00 0.00 H new ATOM 0 HA VAL A 42 -3.671 9.520 -8.730 1.00 0.00 H new ATOM 0 HB VAL A 42 -5.341 7.693 -10.474 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -3.188 6.564 -10.862 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -3.153 8.261 -11.397 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -2.371 7.793 -9.869 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -4.616 5.877 -8.981 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -3.860 7.072 -7.901 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -5.625 7.071 -8.132 1.00 0.00 H new ATOM 620 N GLU A 43 -3.691 11.151 -10.629 1.00 0.00 N ATOM 621 CA GLU A 43 -3.682 12.145 -11.697 1.00 0.00 C ATOM 622 C GLU A 43 -3.330 11.474 -13.025 1.00 0.00 C ATOM 623 O GLU A 43 -2.199 11.031 -13.209 1.00 0.00 O ATOM 624 CB GLU A 43 -2.651 13.238 -11.379 1.00 0.00 C ATOM 625 CG GLU A 43 -2.747 13.792 -9.963 1.00 0.00 C ATOM 626 CD GLU A 43 -3.712 14.950 -9.826 1.00 0.00 C ATOM 627 OE1 GLU A 43 -4.781 14.925 -10.459 1.00 0.00 O ATOM 628 OE2 GLU A 43 -3.404 15.889 -9.056 1.00 0.00 O ATOM 0 H GLU A 43 -2.893 11.211 -9.996 1.00 0.00 H new ATOM 0 HA GLU A 43 -4.671 12.596 -11.775 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -1.650 12.834 -11.532 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -2.776 14.057 -12.087 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -3.055 12.992 -9.290 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -1.757 14.116 -9.641 1.00 0.00 H new ATOM 635 N PRO A 44 -4.285 11.379 -13.963 1.00 0.00 N ATOM 636 CA PRO A 44 -4.066 10.711 -15.252 1.00 0.00 C ATOM 637 C PRO A 44 -2.878 11.290 -16.010 1.00 0.00 C ATOM 638 O PRO A 44 -2.857 12.470 -16.355 1.00 0.00 O ATOM 639 CB PRO A 44 -5.361 10.959 -16.019 1.00 0.00 C ATOM 640 CG PRO A 44 -6.378 11.211 -14.967 1.00 0.00 C ATOM 641 CD PRO A 44 -5.654 11.903 -13.848 1.00 0.00 C ATOM 0 HA PRO A 44 -3.835 9.654 -15.122 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -5.266 11.812 -16.691 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -5.630 10.099 -16.632 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -7.189 11.831 -15.349 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -6.824 10.278 -14.624 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -5.682 12.987 -13.959 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -6.094 11.671 -12.878 1.00 0.00 H new ATOM 649 N GLY A 45 -1.904 10.443 -16.266 1.00 0.00 N ATOM 650 CA GLY A 45 -0.680 10.868 -16.912 1.00 0.00 C ATOM 651 C GLY A 45 0.503 10.855 -15.962 1.00 0.00 C ATOM 652 O GLY A 45 1.606 11.263 -16.325 1.00 0.00 O ATOM 0 H GLY A 45 -1.937 9.450 -16.035 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -0.472 10.214 -17.758 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -0.812 11.873 -17.312 1.00 0.00 H new ATOM 656 N SER A 46 0.278 10.379 -14.747 1.00 0.00 N ATOM 657 CA SER A 46 1.314 10.366 -13.723 1.00 0.00 C ATOM 658 C SER A 46 2.024 9.015 -13.670 1.00 0.00 C ATOM 659 O SER A 46 1.502 8.003 -14.149 1.00 0.00 O ATOM 660 CB SER A 46 0.689 10.660 -12.359 1.00 0.00 C ATOM 661 OG SER A 46 -0.289 9.687 -12.032 1.00 0.00 O ATOM 0 H SER A 46 -0.617 9.995 -14.444 1.00 0.00 H new ATOM 0 HA SER A 46 2.048 11.132 -13.974 1.00 0.00 H new ATOM 0 HB2 SER A 46 1.465 10.673 -11.594 1.00 0.00 H new ATOM 0 HB3 SER A 46 0.234 11.650 -12.369 1.00 0.00 H new ATOM 0 HG SER A 46 -1.138 9.919 -12.462 1.00 0.00 H new ATOM 667 N PRO A 47 3.232 8.988 -13.086 1.00 0.00 N ATOM 668 CA PRO A 47 3.970 7.744 -12.842 1.00 0.00 C ATOM 669 C PRO A 47 3.259 6.841 -11.838 1.00 0.00 C ATOM 670 O PRO A 47 3.539 5.644 -11.761 1.00 0.00 O ATOM 671 CB PRO A 47 5.312 8.222 -12.281 1.00 0.00 C ATOM 672 CG PRO A 47 5.039 9.584 -11.747 1.00 0.00 C ATOM 673 CD PRO A 47 3.990 10.171 -12.642 1.00 0.00 C ATOM 0 HA PRO A 47 4.068 7.144 -13.747 1.00 0.00 H new ATOM 0 HB2 PRO A 47 5.673 7.555 -11.498 1.00 0.00 H new ATOM 0 HB3 PRO A 47 6.078 8.247 -13.056 1.00 0.00 H new ATOM 0 HG2 PRO A 47 4.691 9.537 -10.715 1.00 0.00 H new ATOM 0 HG3 PRO A 47 5.942 10.194 -11.751 1.00 0.00 H new ATOM 0 HD2 PRO A 47 3.356 10.880 -12.109 1.00 0.00 H new ATOM 0 HD3 PRO A 47 4.431 10.707 -13.483 1.00 0.00 H new ATOM 681 N ALA A 48 2.329 7.418 -11.080 1.00 0.00 N ATOM 682 CA ALA A 48 1.551 6.661 -10.110 1.00 0.00 C ATOM 683 C ALA A 48 0.704 5.605 -10.810 1.00 0.00 C ATOM 684 O ALA A 48 0.553 4.485 -10.316 1.00 0.00 O ATOM 685 CB ALA A 48 0.668 7.593 -9.294 1.00 0.00 C ATOM 0 H ALA A 48 2.098 8.411 -11.121 1.00 0.00 H new ATOM 0 HA ALA A 48 2.241 6.157 -9.434 1.00 0.00 H new ATOM 0 HB1 ALA A 48 0.093 7.011 -8.574 1.00 0.00 H new ATOM 0 HB2 ALA A 48 1.291 8.313 -8.764 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -0.014 8.123 -9.959 1.00 0.00 H new ATOM 691 N GLU A 49 0.163 5.961 -11.971 1.00 0.00 N ATOM 692 CA GLU A 49 -0.627 5.025 -12.760 1.00 0.00 C ATOM 693 C GLU A 49 0.248 3.878 -13.235 1.00 0.00 C ATOM 694 O GLU A 49 -0.175 2.721 -13.252 1.00 0.00 O ATOM 695 CB GLU A 49 -1.236 5.707 -13.980 1.00 0.00 C ATOM 696 CG GLU A 49 -2.016 6.968 -13.673 1.00 0.00 C ATOM 697 CD GLU A 49 -2.720 7.493 -14.901 1.00 0.00 C ATOM 698 OE1 GLU A 49 -2.025 7.892 -15.855 1.00 0.00 O ATOM 699 OE2 GLU A 49 -3.964 7.499 -14.924 1.00 0.00 O ATOM 0 H GLU A 49 0.257 6.889 -12.385 1.00 0.00 H new ATOM 0 HA GLU A 49 -1.429 4.652 -12.123 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -0.437 5.951 -14.680 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -1.896 5.001 -14.483 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -2.748 6.764 -12.892 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -1.340 7.730 -13.285 1.00 0.00 H new ATOM 706 N LYS A 50 1.475 4.222 -13.606 1.00 0.00 N ATOM 707 CA LYS A 50 2.432 3.259 -14.135 1.00 0.00 C ATOM 708 C LYS A 50 2.792 2.222 -13.077 1.00 0.00 C ATOM 709 O LYS A 50 3.054 1.061 -13.394 1.00 0.00 O ATOM 710 CB LYS A 50 3.702 3.975 -14.608 1.00 0.00 C ATOM 711 CG LYS A 50 3.441 5.152 -15.534 1.00 0.00 C ATOM 712 CD LYS A 50 4.740 5.808 -15.974 1.00 0.00 C ATOM 713 CE LYS A 50 4.487 7.102 -16.730 1.00 0.00 C ATOM 714 NZ LYS A 50 5.749 7.702 -17.242 1.00 0.00 N ATOM 0 H LYS A 50 1.834 5.175 -13.549 1.00 0.00 H new ATOM 0 HA LYS A 50 1.970 2.752 -14.982 1.00 0.00 H new ATOM 0 HB2 LYS A 50 4.254 4.327 -13.737 1.00 0.00 H new ATOM 0 HB3 LYS A 50 4.341 3.257 -15.121 1.00 0.00 H new ATOM 0 HG2 LYS A 50 2.888 4.813 -16.410 1.00 0.00 H new ATOM 0 HG3 LYS A 50 2.815 5.885 -15.026 1.00 0.00 H new ATOM 0 HD2 LYS A 50 5.359 6.012 -15.100 1.00 0.00 H new ATOM 0 HD3 LYS A 50 5.299 5.120 -16.607 1.00 0.00 H new ATOM 0 HE2 LYS A 50 3.812 6.909 -17.564 1.00 0.00 H new ATOM 0 HE3 LYS A 50 3.987 7.814 -16.074 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 5.533 8.583 -17.751 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 6.383 7.910 -16.444 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 6.214 7.033 -17.889 1.00 0.00 H new ATOM 728 N ALA A 51 2.797 2.648 -11.819 1.00 0.00 N ATOM 729 CA ALA A 51 3.126 1.757 -10.715 1.00 0.00 C ATOM 730 C ALA A 51 1.938 0.875 -10.348 1.00 0.00 C ATOM 731 O ALA A 51 2.093 -0.163 -9.706 1.00 0.00 O ATOM 732 CB ALA A 51 3.585 2.556 -9.509 1.00 0.00 C ATOM 0 H ALA A 51 2.577 3.604 -11.539 1.00 0.00 H new ATOM 0 HA ALA A 51 3.941 1.108 -11.036 1.00 0.00 H new ATOM 0 HB1 ALA A 51 3.827 1.876 -8.693 1.00 0.00 H new ATOM 0 HB2 ALA A 51 4.469 3.136 -9.772 1.00 0.00 H new ATOM 0 HB3 ALA A 51 2.789 3.231 -9.195 1.00 0.00 H new ATOM 738 N GLY A 52 0.754 1.285 -10.781 1.00 0.00 N ATOM 739 CA GLY A 52 -0.439 0.504 -10.528 1.00 0.00 C ATOM 740 C GLY A 52 -1.203 0.970 -9.306 1.00 0.00 C ATOM 741 O GLY A 52 -1.737 0.156 -8.558 1.00 0.00 O ATOM 0 H GLY A 52 0.599 2.147 -11.304 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -1.092 0.555 -11.399 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -0.161 -0.542 -10.399 1.00 0.00 H new ATOM 745 N LEU A 53 -1.254 2.274 -9.094 1.00 0.00 N ATOM 746 CA LEU A 53 -2.020 2.829 -7.988 1.00 0.00 C ATOM 747 C LEU A 53 -3.439 3.145 -8.439 1.00 0.00 C ATOM 748 O LEU A 53 -3.641 3.787 -9.473 1.00 0.00 O ATOM 749 CB LEU A 53 -1.350 4.092 -7.449 1.00 0.00 C ATOM 750 CG LEU A 53 0.051 3.891 -6.872 1.00 0.00 C ATOM 751 CD1 LEU A 53 0.631 5.224 -6.425 1.00 0.00 C ATOM 752 CD2 LEU A 53 0.011 2.906 -5.711 1.00 0.00 C ATOM 0 H LEU A 53 -0.776 2.967 -9.670 1.00 0.00 H new ATOM 0 HA LEU A 53 -2.057 2.088 -7.189 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -1.292 4.825 -8.254 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -1.987 4.519 -6.674 1.00 0.00 H new ATOM 0 HG LEU A 53 0.694 3.477 -7.649 1.00 0.00 H new ATOM 0 HD11 LEU A 53 1.629 5.068 -6.016 1.00 0.00 H new ATOM 0 HD12 LEU A 53 0.690 5.899 -7.278 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -0.010 5.662 -5.660 1.00 0.00 H new ATOM 0 HD21 LEU A 53 1.016 2.774 -5.311 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -0.643 3.292 -4.929 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -0.369 1.946 -6.061 1.00 0.00 H new ATOM 764 N LEU A 54 -4.420 2.687 -7.677 1.00 0.00 N ATOM 765 CA LEU A 54 -5.812 2.941 -7.997 1.00 0.00 C ATOM 766 C LEU A 54 -6.511 3.554 -6.788 1.00 0.00 C ATOM 767 O LEU A 54 -6.233 3.185 -5.646 1.00 0.00 O ATOM 768 CB LEU A 54 -6.488 1.630 -8.432 1.00 0.00 C ATOM 769 CG LEU A 54 -7.870 1.761 -9.083 1.00 0.00 C ATOM 770 CD1 LEU A 54 -8.112 0.602 -10.037 1.00 0.00 C ATOM 771 CD2 LEU A 54 -8.970 1.798 -8.030 1.00 0.00 C ATOM 0 H LEU A 54 -4.275 2.136 -6.831 1.00 0.00 H new ATOM 0 HA LEU A 54 -5.882 3.649 -8.823 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -5.827 1.120 -9.133 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -6.582 0.987 -7.557 1.00 0.00 H new ATOM 0 HG LEU A 54 -7.893 2.698 -9.639 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -9.096 0.706 -10.493 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -7.349 0.606 -10.815 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -8.064 -0.338 -9.487 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -9.939 1.891 -8.520 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -8.946 0.878 -7.446 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -8.813 2.651 -7.370 1.00 0.00 H new ATOM 783 N ALA A 55 -7.402 4.508 -7.045 1.00 0.00 N ATOM 784 CA ALA A 55 -8.104 5.214 -5.981 1.00 0.00 C ATOM 785 C ALA A 55 -9.033 4.277 -5.216 1.00 0.00 C ATOM 786 O ALA A 55 -10.168 4.033 -5.626 1.00 0.00 O ATOM 787 CB ALA A 55 -8.877 6.395 -6.551 1.00 0.00 C ATOM 0 H ALA A 55 -7.655 4.810 -7.986 1.00 0.00 H new ATOM 0 HA ALA A 55 -7.362 5.591 -5.277 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -9.396 6.913 -5.745 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -8.185 7.082 -7.037 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -9.604 6.036 -7.280 1.00 0.00 H new ATOM 793 N GLY A 56 -8.534 3.758 -4.108 1.00 0.00 N ATOM 794 CA GLY A 56 -9.290 2.820 -3.308 1.00 0.00 C ATOM 795 C GLY A 56 -8.382 1.851 -2.585 1.00 0.00 C ATOM 796 O GLY A 56 -8.732 1.335 -1.520 1.00 0.00 O ATOM 0 H GLY A 56 -7.606 3.973 -3.744 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -9.895 3.364 -2.583 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -9.979 2.267 -3.947 1.00 0.00 H new ATOM 800 N ASP A 57 -7.205 1.618 -3.159 1.00 0.00 N ATOM 801 CA ASP A 57 -6.220 0.715 -2.567 1.00 0.00 C ATOM 802 C ASP A 57 -5.741 1.247 -1.222 1.00 0.00 C ATOM 803 O ASP A 57 -5.524 2.454 -1.060 1.00 0.00 O ATOM 804 CB ASP A 57 -5.017 0.531 -3.498 1.00 0.00 C ATOM 805 CG ASP A 57 -5.386 -0.067 -4.843 1.00 0.00 C ATOM 806 OD1 ASP A 57 -6.131 -1.073 -4.880 1.00 0.00 O ATOM 807 OD2 ASP A 57 -4.930 0.470 -5.875 1.00 0.00 O ATOM 0 H ASP A 57 -6.908 2.044 -4.037 1.00 0.00 H new ATOM 0 HA ASP A 57 -6.705 -0.250 -2.419 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -4.538 1.497 -3.657 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -4.284 -0.112 -3.011 1.00 0.00 H new ATOM 812 N ARG A 58 -5.588 0.349 -0.256 1.00 0.00 N ATOM 813 CA ARG A 58 -5.107 0.726 1.064 1.00 0.00 C ATOM 814 C ARG A 58 -3.589 0.752 1.084 1.00 0.00 C ATOM 815 O ARG A 58 -2.936 -0.180 0.617 1.00 0.00 O ATOM 816 CB ARG A 58 -5.607 -0.244 2.141 1.00 0.00 C ATOM 817 CG ARG A 58 -5.083 0.094 3.531 1.00 0.00 C ATOM 818 CD ARG A 58 -5.392 -0.998 4.537 1.00 0.00 C ATOM 819 NE ARG A 58 -4.904 -0.659 5.878 1.00 0.00 N ATOM 820 CZ ARG A 58 -5.190 -1.364 6.972 1.00 0.00 C ATOM 821 NH1 ARG A 58 -5.876 -2.490 6.879 1.00 0.00 N ATOM 822 NH2 ARG A 58 -4.760 -0.967 8.162 1.00 0.00 N ATOM 0 H ARG A 58 -5.791 -0.645 -0.364 1.00 0.00 H new ATOM 0 HA ARG A 58 -5.497 1.720 1.282 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -6.697 -0.232 2.156 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -5.303 -1.258 1.880 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -4.005 0.249 3.484 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -5.525 1.032 3.867 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -6.469 -1.164 4.574 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -4.936 -1.933 4.210 1.00 0.00 H new ATOM 0 HE ARG A 58 -4.311 0.165 5.979 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -6.189 -2.823 5.967 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -6.092 -3.026 7.719 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -4.205 -0.115 8.246 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -4.984 -1.513 8.994 1.00 0.00 H new ATOM 836 N LEU A 59 -3.039 1.825 1.623 1.00 0.00 N ATOM 837 CA LEU A 59 -1.599 1.938 1.794 1.00 0.00 C ATOM 838 C LEU A 59 -1.150 1.088 2.980 1.00 0.00 C ATOM 839 O LEU A 59 -1.563 1.326 4.114 1.00 0.00 O ATOM 840 CB LEU A 59 -1.198 3.399 2.007 1.00 0.00 C ATOM 841 CG LEU A 59 0.305 3.651 2.126 1.00 0.00 C ATOM 842 CD1 LEU A 59 1.015 3.233 0.849 1.00 0.00 C ATOM 843 CD2 LEU A 59 0.570 5.115 2.437 1.00 0.00 C ATOM 0 H LEU A 59 -3.568 2.633 1.951 1.00 0.00 H new ATOM 0 HA LEU A 59 -1.108 1.575 0.891 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -1.585 3.990 1.177 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -1.684 3.764 2.912 1.00 0.00 H new ATOM 0 HG LEU A 59 0.698 3.050 2.946 1.00 0.00 H new ATOM 0 HD11 LEU A 59 2.084 3.419 0.950 1.00 0.00 H new ATOM 0 HD12 LEU A 59 0.846 2.171 0.670 1.00 0.00 H new ATOM 0 HD13 LEU A 59 0.624 3.809 0.010 1.00 0.00 H new ATOM 0 HD21 LEU A 59 1.644 5.281 2.519 1.00 0.00 H new ATOM 0 HD22 LEU A 59 0.167 5.736 1.637 1.00 0.00 H new ATOM 0 HD23 LEU A 59 0.089 5.380 3.379 1.00 0.00 H new ATOM 855 N VAL A 60 -0.323 0.089 2.705 1.00 0.00 N ATOM 856 CA VAL A 60 0.128 -0.843 3.727 1.00 0.00 C ATOM 857 C VAL A 60 1.562 -0.539 4.161 1.00 0.00 C ATOM 858 O VAL A 60 1.907 -0.669 5.338 1.00 0.00 O ATOM 859 CB VAL A 60 0.039 -2.300 3.217 1.00 0.00 C ATOM 860 CG1 VAL A 60 0.493 -3.286 4.281 1.00 0.00 C ATOM 861 CG2 VAL A 60 -1.376 -2.620 2.765 1.00 0.00 C ATOM 0 H VAL A 60 0.051 -0.097 1.775 1.00 0.00 H new ATOM 0 HA VAL A 60 -0.529 -0.725 4.589 1.00 0.00 H new ATOM 0 HB VAL A 60 0.709 -2.397 2.363 1.00 0.00 H new ATOM 0 HG11 VAL A 60 0.419 -4.301 3.892 1.00 0.00 H new ATOM 0 HG12 VAL A 60 1.527 -3.077 4.553 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -0.141 -3.188 5.162 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -1.420 -3.649 2.409 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -2.062 -2.496 3.603 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -1.662 -1.945 1.958 1.00 0.00 H new ATOM 871 N GLU A 61 2.395 -0.117 3.215 1.00 0.00 N ATOM 872 CA GLU A 61 3.799 0.148 3.507 1.00 0.00 C ATOM 873 C GLU A 61 4.367 1.212 2.566 1.00 0.00 C ATOM 874 O GLU A 61 3.913 1.354 1.429 1.00 0.00 O ATOM 875 CB GLU A 61 4.584 -1.165 3.400 1.00 0.00 C ATOM 876 CG GLU A 61 6.080 -1.034 3.600 1.00 0.00 C ATOM 877 CD GLU A 61 6.683 -2.289 4.190 1.00 0.00 C ATOM 878 OE1 GLU A 61 6.140 -2.788 5.198 1.00 0.00 O ATOM 879 OE2 GLU A 61 7.699 -2.780 3.660 1.00 0.00 O ATOM 0 H GLU A 61 2.124 0.048 2.245 1.00 0.00 H new ATOM 0 HA GLU A 61 3.890 0.540 4.520 1.00 0.00 H new ATOM 0 HB2 GLU A 61 4.194 -1.865 4.138 1.00 0.00 H new ATOM 0 HB3 GLU A 61 4.401 -1.602 2.418 1.00 0.00 H new ATOM 0 HG2 GLU A 61 6.556 -0.817 2.644 1.00 0.00 H new ATOM 0 HG3 GLU A 61 6.286 -0.189 4.257 1.00 0.00 H new ATOM 886 N VAL A 62 5.368 1.951 3.053 1.00 0.00 N ATOM 887 CA VAL A 62 5.993 3.027 2.285 1.00 0.00 C ATOM 888 C VAL A 62 7.512 2.847 2.251 1.00 0.00 C ATOM 889 O VAL A 62 8.170 2.894 3.294 1.00 0.00 O ATOM 890 CB VAL A 62 5.664 4.420 2.871 1.00 0.00 C ATOM 891 CG1 VAL A 62 6.280 5.522 2.019 1.00 0.00 C ATOM 892 CG2 VAL A 62 4.162 4.622 2.992 1.00 0.00 C ATOM 0 H VAL A 62 5.764 1.820 3.984 1.00 0.00 H new ATOM 0 HA VAL A 62 5.589 2.973 1.274 1.00 0.00 H new ATOM 0 HB VAL A 62 6.096 4.472 3.871 1.00 0.00 H new ATOM 0 HG11 VAL A 62 6.036 6.494 2.449 1.00 0.00 H new ATOM 0 HG12 VAL A 62 7.363 5.399 1.992 1.00 0.00 H new ATOM 0 HG13 VAL A 62 5.882 5.464 1.006 1.00 0.00 H new ATOM 0 HG21 VAL A 62 3.960 5.610 3.407 1.00 0.00 H new ATOM 0 HG22 VAL A 62 3.703 4.542 2.006 1.00 0.00 H new ATOM 0 HG23 VAL A 62 3.744 3.860 3.650 1.00 0.00 H new ATOM 902 N ASN A 63 8.046 2.643 1.046 1.00 0.00 N ATOM 903 CA ASN A 63 9.476 2.387 0.805 1.00 0.00 C ATOM 904 C ASN A 63 9.888 1.026 1.351 1.00 0.00 C ATOM 905 O ASN A 63 10.332 0.152 0.606 1.00 0.00 O ATOM 906 CB ASN A 63 10.379 3.486 1.391 1.00 0.00 C ATOM 907 CG ASN A 63 10.344 4.773 0.585 1.00 0.00 C ATOM 908 OD1 ASN A 63 11.000 4.883 -0.450 1.00 0.00 O ATOM 909 ND2 ASN A 63 9.618 5.768 1.071 1.00 0.00 N ATOM 0 H ASN A 63 7.490 2.650 0.191 1.00 0.00 H new ATOM 0 HA ASN A 63 9.612 2.393 -0.276 1.00 0.00 H new ATOM 0 HB2 ASN A 63 10.069 3.696 2.415 1.00 0.00 H new ATOM 0 HB3 ASN A 63 11.405 3.120 1.437 1.00 0.00 H new ATOM 0 HD21 ASN A 63 9.590 6.664 0.584 1.00 0.00 H new ATOM 0 HD22 ASN A 63 9.087 5.639 1.932 1.00 0.00 H new ATOM 916 N GLY A 64 9.731 0.868 2.649 1.00 0.00 N ATOM 917 CA GLY A 64 10.030 -0.383 3.320 1.00 0.00 C ATOM 918 C GLY A 64 9.671 -0.307 4.790 1.00 0.00 C ATOM 919 O GLY A 64 10.262 -0.996 5.626 1.00 0.00 O ATOM 0 H GLY A 64 9.392 1.603 3.270 1.00 0.00 H new ATOM 0 HA2 GLY A 64 9.477 -1.195 2.848 1.00 0.00 H new ATOM 0 HA3 GLY A 64 11.090 -0.614 3.212 1.00 0.00 H new ATOM 923 N GLU A 65 8.705 0.548 5.101 1.00 0.00 N ATOM 924 CA GLU A 65 8.288 0.779 6.472 1.00 0.00 C ATOM 925 C GLU A 65 6.783 0.562 6.594 1.00 0.00 C ATOM 926 O GLU A 65 6.008 1.128 5.817 1.00 0.00 O ATOM 927 CB GLU A 65 8.664 2.202 6.892 1.00 0.00 C ATOM 928 CG GLU A 65 9.297 2.282 8.267 1.00 0.00 C ATOM 929 CD GLU A 65 8.397 1.749 9.359 1.00 0.00 C ATOM 930 OE1 GLU A 65 7.529 2.502 9.832 1.00 0.00 O ATOM 931 OE2 GLU A 65 8.559 0.578 9.752 1.00 0.00 O ATOM 0 H GLU A 65 8.192 1.097 4.411 1.00 0.00 H new ATOM 0 HA GLU A 65 8.796 0.076 7.132 1.00 0.00 H new ATOM 0 HB2 GLU A 65 9.355 2.618 6.159 1.00 0.00 H new ATOM 0 HB3 GLU A 65 7.770 2.825 6.876 1.00 0.00 H new ATOM 0 HG2 GLU A 65 10.231 1.719 8.265 1.00 0.00 H new ATOM 0 HG3 GLU A 65 9.550 3.319 8.485 1.00 0.00 H new ATOM 938 N ASN A 66 6.379 -0.248 7.563 1.00 0.00 N ATOM 939 CA ASN A 66 4.980 -0.628 7.722 1.00 0.00 C ATOM 940 C ASN A 66 4.135 0.564 8.155 1.00 0.00 C ATOM 941 O ASN A 66 4.435 1.215 9.156 1.00 0.00 O ATOM 942 CB ASN A 66 4.854 -1.750 8.753 1.00 0.00 C ATOM 943 CG ASN A 66 3.449 -2.309 8.836 1.00 0.00 C ATOM 944 OD1 ASN A 66 2.618 -1.837 9.615 1.00 0.00 O ATOM 945 ND2 ASN A 66 3.175 -3.316 8.027 1.00 0.00 N ATOM 0 H ASN A 66 7.005 -0.658 8.256 1.00 0.00 H new ATOM 0 HA ASN A 66 4.614 -0.979 6.757 1.00 0.00 H new ATOM 0 HB2 ASN A 66 5.546 -2.553 8.498 1.00 0.00 H new ATOM 0 HB3 ASN A 66 5.150 -1.374 9.732 1.00 0.00 H new ATOM 0 HD21 ASN A 66 2.245 -3.735 8.031 1.00 0.00 H new ATOM 0 HD22 ASN A 66 3.893 -3.675 7.398 1.00 0.00 H new ATOM 952 N VAL A 67 3.080 0.852 7.398 1.00 0.00 N ATOM 953 CA VAL A 67 2.212 1.985 7.704 1.00 0.00 C ATOM 954 C VAL A 67 0.745 1.563 7.772 1.00 0.00 C ATOM 955 O VAL A 67 -0.157 2.382 7.583 1.00 0.00 O ATOM 956 CB VAL A 67 2.368 3.124 6.671 1.00 0.00 C ATOM 957 CG1 VAL A 67 3.805 3.614 6.629 1.00 0.00 C ATOM 958 CG2 VAL A 67 1.908 2.686 5.288 1.00 0.00 C ATOM 0 H VAL A 67 2.806 0.319 6.572 1.00 0.00 H new ATOM 0 HA VAL A 67 2.522 2.355 8.681 1.00 0.00 H new ATOM 0 HB VAL A 67 1.730 3.949 6.986 1.00 0.00 H new ATOM 0 HG11 VAL A 67 3.895 4.416 5.896 1.00 0.00 H new ATOM 0 HG12 VAL A 67 4.091 3.988 7.612 1.00 0.00 H new ATOM 0 HG13 VAL A 67 4.462 2.791 6.349 1.00 0.00 H new ATOM 0 HG21 VAL A 67 2.031 3.510 4.586 1.00 0.00 H new ATOM 0 HG22 VAL A 67 2.505 1.836 4.958 1.00 0.00 H new ATOM 0 HG23 VAL A 67 0.858 2.397 5.328 1.00 0.00 H new ATOM 968 N GLU A 68 0.517 0.283 8.060 1.00 0.00 N ATOM 969 CA GLU A 68 -0.833 -0.267 8.151 1.00 0.00 C ATOM 970 C GLU A 68 -1.711 0.534 9.103 1.00 0.00 C ATOM 971 O GLU A 68 -2.854 0.869 8.780 1.00 0.00 O ATOM 972 CB GLU A 68 -0.789 -1.707 8.651 1.00 0.00 C ATOM 973 CG GLU A 68 -0.232 -2.703 7.657 1.00 0.00 C ATOM 974 CD GLU A 68 -0.173 -4.099 8.235 1.00 0.00 C ATOM 975 OE1 GLU A 68 -1.161 -4.524 8.867 1.00 0.00 O ATOM 976 OE2 GLU A 68 0.875 -4.763 8.091 1.00 0.00 O ATOM 0 H GLU A 68 1.257 -0.397 8.236 1.00 0.00 H new ATOM 0 HA GLU A 68 -1.257 -0.220 7.148 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -0.187 -1.744 9.559 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -1.798 -2.013 8.925 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -0.851 -2.707 6.760 1.00 0.00 H new ATOM 0 HG3 GLU A 68 0.768 -2.393 7.353 1.00 0.00 H new ATOM 983 N LYS A 69 -1.177 0.823 10.280 1.00 0.00 N ATOM 984 CA LYS A 69 -1.959 1.442 11.339 1.00 0.00 C ATOM 985 C LYS A 69 -1.486 2.875 11.576 1.00 0.00 C ATOM 986 O LYS A 69 -1.897 3.529 12.539 1.00 0.00 O ATOM 987 CB LYS A 69 -1.821 0.644 12.644 1.00 0.00 C ATOM 988 CG LYS A 69 -1.758 -0.875 12.478 1.00 0.00 C ATOM 989 CD LYS A 69 -3.000 -1.444 11.813 1.00 0.00 C ATOM 990 CE LYS A 69 -3.048 -2.965 11.929 1.00 0.00 C ATOM 991 NZ LYS A 69 -1.851 -3.630 11.334 1.00 0.00 N ATOM 0 H LYS A 69 -0.204 0.639 10.526 1.00 0.00 H new ATOM 0 HA LYS A 69 -3.004 1.450 11.030 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -0.919 0.974 13.159 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -2.664 0.888 13.290 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -0.881 -1.136 11.885 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -1.630 -1.338 13.456 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -3.890 -1.014 12.273 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -3.015 -1.157 10.761 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -3.127 -3.242 12.980 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -3.946 -3.334 11.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -1.797 -4.613 11.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -1.929 -3.623 10.297 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -0.992 -3.119 11.620 1.00 0.00 H new ATOM 1005 N GLU A 70 -0.629 3.360 10.692 1.00 0.00 N ATOM 1006 CA GLU A 70 0.030 4.642 10.893 1.00 0.00 C ATOM 1007 C GLU A 70 -0.801 5.803 10.361 1.00 0.00 C ATOM 1008 O GLU A 70 -1.667 5.633 9.501 1.00 0.00 O ATOM 1009 CB GLU A 70 1.417 4.621 10.252 1.00 0.00 C ATOM 1010 CG GLU A 70 2.541 4.495 11.271 1.00 0.00 C ATOM 1011 CD GLU A 70 2.227 3.510 12.385 1.00 0.00 C ATOM 1012 OE1 GLU A 70 1.567 3.911 13.374 1.00 0.00 O ATOM 1013 OE2 GLU A 70 2.650 2.338 12.294 1.00 0.00 O ATOM 0 H GLU A 70 -0.373 2.885 9.827 1.00 0.00 H new ATOM 0 HA GLU A 70 0.137 4.799 11.966 1.00 0.00 H new ATOM 0 HB2 GLU A 70 1.475 3.788 9.551 1.00 0.00 H new ATOM 0 HB3 GLU A 70 1.558 5.535 9.674 1.00 0.00 H new ATOM 0 HG2 GLU A 70 3.452 4.180 10.762 1.00 0.00 H new ATOM 0 HG3 GLU A 70 2.741 5.474 11.706 1.00 0.00 H new ATOM 1020 N THR A 71 -0.524 6.986 10.891 1.00 0.00 N ATOM 1021 CA THR A 71 -1.312 8.169 10.601 1.00 0.00 C ATOM 1022 C THR A 71 -0.845 8.865 9.331 1.00 0.00 C ATOM 1023 O THR A 71 0.225 8.554 8.800 1.00 0.00 O ATOM 1024 CB THR A 71 -1.240 9.172 11.765 1.00 0.00 C ATOM 1025 OG1 THR A 71 0.132 9.471 12.049 1.00 0.00 O ATOM 1026 CG2 THR A 71 -1.910 8.611 13.009 1.00 0.00 C ATOM 0 H THR A 71 0.252 7.150 11.532 1.00 0.00 H new ATOM 0 HA THR A 71 -2.339 7.832 10.461 1.00 0.00 H new ATOM 0 HB THR A 71 -1.766 10.081 11.474 1.00 0.00 H new ATOM 0 HG1 THR A 71 0.181 10.111 12.790 1.00 0.00 H new ATOM 0 HG21 THR A 71 -1.845 9.340 13.817 1.00 0.00 H new ATOM 0 HG22 THR A 71 -2.957 8.400 12.794 1.00 0.00 H new ATOM 0 HG23 THR A 71 -1.408 7.691 13.309 1.00 0.00 H new ATOM 1034 N HIS A 72 -1.637 9.819 8.862 1.00 0.00 N ATOM 1035 CA HIS A 72 -1.300 10.588 7.674 1.00 0.00 C ATOM 1036 C HIS A 72 0.055 11.273 7.834 1.00 0.00 C ATOM 1037 O HIS A 72 0.890 11.233 6.937 1.00 0.00 O ATOM 1038 CB HIS A 72 -2.391 11.625 7.389 1.00 0.00 C ATOM 1039 CG HIS A 72 -2.171 12.400 6.127 1.00 0.00 C ATOM 1040 ND1 HIS A 72 -2.591 11.960 4.891 1.00 0.00 N ATOM 1041 CD2 HIS A 72 -1.572 13.594 5.915 1.00 0.00 C ATOM 1042 CE1 HIS A 72 -2.261 12.850 3.974 1.00 0.00 C ATOM 1043 NE2 HIS A 72 -1.641 13.849 4.572 1.00 0.00 N ATOM 0 H HIS A 72 -2.525 10.080 9.291 1.00 0.00 H new ATOM 0 HA HIS A 72 -1.235 9.902 6.829 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -3.355 11.119 7.330 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -2.447 12.320 8.227 1.00 0.00 H new ATOM 0 HD1 HIS A 72 -3.081 11.083 4.712 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -1.123 14.228 6.665 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -2.464 12.774 2.916 1.00 0.00 H new ATOM 1052 N GLN A 73 0.279 11.889 8.979 1.00 0.00 N ATOM 1053 CA GLN A 73 1.531 12.591 9.219 1.00 0.00 C ATOM 1054 C GLN A 73 2.708 11.616 9.262 1.00 0.00 C ATOM 1055 O GLN A 73 3.793 11.909 8.752 1.00 0.00 O ATOM 1056 CB GLN A 73 1.455 13.378 10.523 1.00 0.00 C ATOM 1057 CG GLN A 73 2.614 14.341 10.708 1.00 0.00 C ATOM 1058 CD GLN A 73 2.581 15.048 12.049 1.00 0.00 C ATOM 1059 OE1 GLN A 73 3.047 16.178 12.180 1.00 0.00 O ATOM 1060 NE2 GLN A 73 2.031 14.388 13.054 1.00 0.00 N ATOM 0 H GLN A 73 -0.383 11.919 9.754 1.00 0.00 H new ATOM 0 HA GLN A 73 1.692 13.285 8.394 1.00 0.00 H new ATOM 0 HB2 GLN A 73 0.519 13.936 10.549 1.00 0.00 H new ATOM 0 HB3 GLN A 73 1.433 12.680 11.360 1.00 0.00 H new ATOM 0 HG2 GLN A 73 3.553 13.795 10.613 1.00 0.00 H new ATOM 0 HG3 GLN A 73 2.595 15.083 9.910 1.00 0.00 H new ATOM 0 HE21 GLN A 73 1.655 13.452 12.904 1.00 0.00 H new ATOM 0 HE22 GLN A 73 1.982 14.815 13.979 1.00 0.00 H new ATOM 1069 N GLN A 74 2.483 10.450 9.857 1.00 0.00 N ATOM 1070 CA GLN A 74 3.535 9.450 9.984 1.00 0.00 C ATOM 1071 C GLN A 74 3.937 8.887 8.626 1.00 0.00 C ATOM 1072 O GLN A 74 5.120 8.639 8.380 1.00 0.00 O ATOM 1073 CB GLN A 74 3.101 8.318 10.913 1.00 0.00 C ATOM 1074 CG GLN A 74 3.123 8.701 12.383 1.00 0.00 C ATOM 1075 CD GLN A 74 2.669 7.571 13.281 1.00 0.00 C ATOM 1076 OE1 GLN A 74 3.471 6.752 13.720 1.00 0.00 O ATOM 1077 NE2 GLN A 74 1.382 7.529 13.567 1.00 0.00 N ATOM 0 H GLN A 74 1.586 10.175 10.257 1.00 0.00 H new ATOM 0 HA GLN A 74 4.404 9.946 10.417 1.00 0.00 H new ATOM 0 HB2 GLN A 74 2.093 8.002 10.643 1.00 0.00 H new ATOM 0 HB3 GLN A 74 3.756 7.460 10.759 1.00 0.00 H new ATOM 0 HG2 GLN A 74 4.133 9.000 12.663 1.00 0.00 H new ATOM 0 HG3 GLN A 74 2.480 9.567 12.540 1.00 0.00 H new ATOM 0 HE21 GLN A 74 0.750 8.230 13.180 1.00 0.00 H new ATOM 0 HE22 GLN A 74 1.018 6.795 14.175 1.00 0.00 H new ATOM 1086 N VAL A 75 2.964 8.679 7.746 1.00 0.00 N ATOM 1087 CA VAL A 75 3.267 8.154 6.421 1.00 0.00 C ATOM 1088 C VAL A 75 3.997 9.183 5.568 1.00 0.00 C ATOM 1089 O VAL A 75 4.965 8.852 4.890 1.00 0.00 O ATOM 1090 CB VAL A 75 2.024 7.652 5.658 1.00 0.00 C ATOM 1091 CG1 VAL A 75 1.412 6.456 6.367 1.00 0.00 C ATOM 1092 CG2 VAL A 75 0.991 8.747 5.463 1.00 0.00 C ATOM 0 H VAL A 75 1.976 8.862 7.921 1.00 0.00 H new ATOM 0 HA VAL A 75 3.914 7.294 6.597 1.00 0.00 H new ATOM 0 HB VAL A 75 2.354 7.343 4.666 1.00 0.00 H new ATOM 0 HG11 VAL A 75 0.536 6.115 5.815 1.00 0.00 H new ATOM 0 HG12 VAL A 75 2.144 5.650 6.420 1.00 0.00 H new ATOM 0 HG13 VAL A 75 1.116 6.743 7.376 1.00 0.00 H new ATOM 0 HG21 VAL A 75 0.134 8.347 4.921 1.00 0.00 H new ATOM 0 HG22 VAL A 75 0.665 9.117 6.435 1.00 0.00 H new ATOM 0 HG23 VAL A 75 1.431 9.565 4.892 1.00 0.00 H new ATOM 1102 N VAL A 76 3.533 10.426 5.617 1.00 0.00 N ATOM 1103 CA VAL A 76 4.162 11.521 4.876 1.00 0.00 C ATOM 1104 C VAL A 76 5.648 11.625 5.215 1.00 0.00 C ATOM 1105 O VAL A 76 6.485 11.805 4.331 1.00 0.00 O ATOM 1106 CB VAL A 76 3.468 12.875 5.156 1.00 0.00 C ATOM 1107 CG1 VAL A 76 4.216 14.023 4.491 1.00 0.00 C ATOM 1108 CG2 VAL A 76 2.025 12.846 4.678 1.00 0.00 C ATOM 0 H VAL A 76 2.719 10.705 6.164 1.00 0.00 H new ATOM 0 HA VAL A 76 4.052 11.293 3.816 1.00 0.00 H new ATOM 0 HB VAL A 76 3.479 13.038 6.234 1.00 0.00 H new ATOM 0 HG11 VAL A 76 3.706 14.962 4.705 1.00 0.00 H new ATOM 0 HG12 VAL A 76 5.234 14.067 4.878 1.00 0.00 H new ATOM 0 HG13 VAL A 76 4.245 13.863 3.413 1.00 0.00 H new ATOM 0 HG21 VAL A 76 1.554 13.807 4.884 1.00 0.00 H new ATOM 0 HG22 VAL A 76 2.001 12.652 3.606 1.00 0.00 H new ATOM 0 HG23 VAL A 76 1.484 12.058 5.201 1.00 0.00 H new ATOM 1118 N SER A 77 5.968 11.489 6.495 1.00 0.00 N ATOM 1119 CA SER A 77 7.354 11.527 6.944 1.00 0.00 C ATOM 1120 C SER A 77 8.172 10.411 6.288 1.00 0.00 C ATOM 1121 O SER A 77 9.314 10.621 5.880 1.00 0.00 O ATOM 1122 CB SER A 77 7.403 11.415 8.468 1.00 0.00 C ATOM 1123 OG SER A 77 6.619 12.435 9.070 1.00 0.00 O ATOM 0 H SER A 77 5.286 11.351 7.241 1.00 0.00 H new ATOM 0 HA SER A 77 7.796 12.478 6.645 1.00 0.00 H new ATOM 0 HB2 SER A 77 7.036 10.436 8.778 1.00 0.00 H new ATOM 0 HB3 SER A 77 8.435 11.492 8.811 1.00 0.00 H new ATOM 0 HG SER A 77 5.668 12.217 8.974 1.00 0.00 H new ATOM 1129 N ARG A 78 7.574 9.230 6.177 1.00 0.00 N ATOM 1130 CA ARG A 78 8.202 8.108 5.491 1.00 0.00 C ATOM 1131 C ARG A 78 8.307 8.360 3.987 1.00 0.00 C ATOM 1132 O ARG A 78 9.275 7.952 3.352 1.00 0.00 O ATOM 1133 CB ARG A 78 7.411 6.835 5.767 1.00 0.00 C ATOM 1134 CG ARG A 78 7.567 6.347 7.192 1.00 0.00 C ATOM 1135 CD ARG A 78 6.346 5.577 7.649 1.00 0.00 C ATOM 1136 NE ARG A 78 6.585 4.885 8.907 1.00 0.00 N ATOM 1137 CZ ARG A 78 6.393 5.410 10.112 1.00 0.00 C ATOM 1138 NH1 ARG A 78 5.970 6.661 10.249 1.00 0.00 N ATOM 1139 NH2 ARG A 78 6.636 4.677 11.183 1.00 0.00 N ATOM 0 H ARG A 78 6.650 9.025 6.556 1.00 0.00 H new ATOM 0 HA ARG A 78 9.216 7.994 5.873 1.00 0.00 H new ATOM 0 HB2 ARG A 78 6.356 7.017 5.563 1.00 0.00 H new ATOM 0 HB3 ARG A 78 7.738 6.053 5.082 1.00 0.00 H new ATOM 0 HG2 ARG A 78 8.449 5.711 7.266 1.00 0.00 H new ATOM 0 HG3 ARG A 78 7.731 7.198 7.854 1.00 0.00 H new ATOM 0 HD2 ARG A 78 5.506 6.262 7.764 1.00 0.00 H new ATOM 0 HD3 ARG A 78 6.065 4.854 6.884 1.00 0.00 H new ATOM 0 HE ARG A 78 6.926 3.925 8.860 1.00 0.00 H new ATOM 0 HH11 ARG A 78 5.788 7.231 9.423 1.00 0.00 H new ATOM 0 HH12 ARG A 78 5.827 7.052 11.180 1.00 0.00 H new ATOM 0 HH21 ARG A 78 6.968 3.718 11.080 1.00 0.00 H new ATOM 0 HH22 ARG A 78 6.492 5.070 12.113 1.00 0.00 H new ATOM 1153 N ILE A 79 7.303 9.025 3.422 1.00 0.00 N ATOM 1154 CA ILE A 79 7.317 9.377 2.005 1.00 0.00 C ATOM 1155 C ILE A 79 8.479 10.320 1.700 1.00 0.00 C ATOM 1156 O ILE A 79 9.102 10.230 0.644 1.00 0.00 O ATOM 1157 CB ILE A 79 5.987 10.040 1.572 1.00 0.00 C ATOM 1158 CG1 ILE A 79 4.817 9.076 1.786 1.00 0.00 C ATOM 1159 CG2 ILE A 79 6.049 10.479 0.114 1.00 0.00 C ATOM 1160 CD1 ILE A 79 3.460 9.686 1.498 1.00 0.00 C ATOM 0 H ILE A 79 6.469 9.331 3.924 1.00 0.00 H new ATOM 0 HA ILE A 79 7.441 8.453 1.441 1.00 0.00 H new ATOM 0 HB ILE A 79 5.831 10.925 2.189 1.00 0.00 H new ATOM 0 HG12 ILE A 79 4.956 8.204 1.147 1.00 0.00 H new ATOM 0 HG13 ILE A 79 4.834 8.722 2.817 1.00 0.00 H new ATOM 0 HG21 ILE A 79 5.103 10.942 -0.167 1.00 0.00 H new ATOM 0 HG22 ILE A 79 6.858 11.198 -0.015 1.00 0.00 H new ATOM 0 HG23 ILE A 79 6.231 9.611 -0.520 1.00 0.00 H new ATOM 0 HD11 ILE A 79 2.682 8.942 1.672 1.00 0.00 H new ATOM 0 HD12 ILE A 79 3.298 10.541 2.155 1.00 0.00 H new ATOM 0 HD13 ILE A 79 3.422 10.014 0.459 1.00 0.00 H new ATOM 1172 N ARG A 80 8.782 11.206 2.647 1.00 0.00 N ATOM 1173 CA ARG A 80 9.887 12.155 2.493 1.00 0.00 C ATOM 1174 C ARG A 80 11.221 11.428 2.345 1.00 0.00 C ATOM 1175 O ARG A 80 12.173 11.970 1.785 1.00 0.00 O ATOM 1176 CB ARG A 80 9.958 13.105 3.692 1.00 0.00 C ATOM 1177 CG ARG A 80 8.712 13.952 3.889 1.00 0.00 C ATOM 1178 CD ARG A 80 8.431 14.827 2.682 1.00 0.00 C ATOM 1179 NE ARG A 80 7.273 15.692 2.896 1.00 0.00 N ATOM 1180 CZ ARG A 80 6.549 16.232 1.918 1.00 0.00 C ATOM 1181 NH1 ARG A 80 6.860 16.004 0.644 1.00 0.00 N ATOM 1182 NH2 ARG A 80 5.520 17.013 2.222 1.00 0.00 N ATOM 0 H ARG A 80 8.278 11.288 3.530 1.00 0.00 H new ATOM 0 HA ARG A 80 9.697 12.732 1.588 1.00 0.00 H new ATOM 0 HB2 ARG A 80 10.133 12.520 4.595 1.00 0.00 H new ATOM 0 HB3 ARG A 80 10.817 13.765 3.568 1.00 0.00 H new ATOM 0 HG2 ARG A 80 7.856 13.303 4.075 1.00 0.00 H new ATOM 0 HG3 ARG A 80 8.834 14.579 4.772 1.00 0.00 H new ATOM 0 HD2 ARG A 80 9.307 15.439 2.465 1.00 0.00 H new ATOM 0 HD3 ARG A 80 8.258 14.197 1.809 1.00 0.00 H new ATOM 0 HE ARG A 80 7.002 15.895 3.858 1.00 0.00 H new ATOM 0 HH11 ARG A 80 7.658 15.412 0.412 1.00 0.00 H new ATOM 0 HH12 ARG A 80 6.301 16.421 -0.100 1.00 0.00 H new ATOM 0 HH21 ARG A 80 5.289 17.195 3.199 1.00 0.00 H new ATOM 0 HH22 ARG A 80 4.960 17.431 1.479 1.00 0.00 H new ATOM 1196 N ALA A 81 11.278 10.195 2.836 1.00 0.00 N ATOM 1197 CA ALA A 81 12.499 9.402 2.778 1.00 0.00 C ATOM 1198 C ALA A 81 12.743 8.856 1.374 1.00 0.00 C ATOM 1199 O ALA A 81 13.790 8.266 1.099 1.00 0.00 O ATOM 1200 CB ALA A 81 12.440 8.268 3.788 1.00 0.00 C ATOM 0 H ALA A 81 10.490 9.723 3.280 1.00 0.00 H new ATOM 0 HA ALA A 81 13.335 10.055 3.029 1.00 0.00 H new ATOM 0 HB1 ALA A 81 13.359 7.684 3.733 1.00 0.00 H new ATOM 0 HB2 ALA A 81 12.331 8.680 4.791 1.00 0.00 H new ATOM 0 HB3 ALA A 81 11.588 7.626 3.565 1.00 0.00 H new ATOM 1206 N ALA A 82 11.777 9.048 0.487 1.00 0.00 N ATOM 1207 CA ALA A 82 11.939 8.664 -0.903 1.00 0.00 C ATOM 1208 C ALA A 82 12.825 9.673 -1.610 1.00 0.00 C ATOM 1209 O ALA A 82 12.488 10.853 -1.711 1.00 0.00 O ATOM 1210 CB ALA A 82 10.590 8.568 -1.591 1.00 0.00 C ATOM 0 H ALA A 82 10.874 9.468 0.708 1.00 0.00 H new ATOM 0 HA ALA A 82 12.411 7.683 -0.947 1.00 0.00 H new ATOM 0 HB1 ALA A 82 10.732 8.279 -2.632 1.00 0.00 H new ATOM 0 HB2 ALA A 82 9.977 7.820 -1.087 1.00 0.00 H new ATOM 0 HB3 ALA A 82 10.090 9.536 -1.548 1.00 0.00 H new ATOM 1216 N LEU A 83 13.966 9.193 -2.080 1.00 0.00 N ATOM 1217 CA LEU A 83 14.964 10.045 -2.711 1.00 0.00 C ATOM 1218 C LEU A 83 14.457 10.586 -4.040 1.00 0.00 C ATOM 1219 O LEU A 83 14.364 11.798 -4.233 1.00 0.00 O ATOM 1220 CB LEU A 83 16.267 9.271 -2.922 1.00 0.00 C ATOM 1221 CG LEU A 83 16.938 8.758 -1.644 1.00 0.00 C ATOM 1222 CD1 LEU A 83 18.213 8.003 -1.981 1.00 0.00 C ATOM 1223 CD2 LEU A 83 17.234 9.911 -0.694 1.00 0.00 C ATOM 0 H LEU A 83 14.226 8.208 -2.036 1.00 0.00 H new ATOM 0 HA LEU A 83 15.156 10.889 -2.048 1.00 0.00 H new ATOM 0 HB2 LEU A 83 16.064 8.420 -3.573 1.00 0.00 H new ATOM 0 HB3 LEU A 83 16.971 9.914 -3.449 1.00 0.00 H new ATOM 0 HG LEU A 83 16.252 8.073 -1.146 1.00 0.00 H new ATOM 0 HD11 LEU A 83 18.678 7.645 -1.062 1.00 0.00 H new ATOM 0 HD12 LEU A 83 17.975 7.154 -2.622 1.00 0.00 H new ATOM 0 HD13 LEU A 83 18.903 8.668 -2.501 1.00 0.00 H new ATOM 0 HD21 LEU A 83 17.710 9.526 0.208 1.00 0.00 H new ATOM 0 HD22 LEU A 83 17.901 10.622 -1.182 1.00 0.00 H new ATOM 0 HD23 LEU A 83 16.303 10.411 -0.427 1.00 0.00 H new ATOM 1235 N ASN A 84 14.146 9.685 -4.958 1.00 0.00 N ATOM 1236 CA ASN A 84 13.598 10.079 -6.250 1.00 0.00 C ATOM 1237 C ASN A 84 12.340 9.283 -6.560 1.00 0.00 C ATOM 1238 O ASN A 84 11.519 9.692 -7.377 1.00 0.00 O ATOM 1239 CB ASN A 84 14.631 9.876 -7.367 1.00 0.00 C ATOM 1240 CG ASN A 84 14.793 8.420 -7.778 1.00 0.00 C ATOM 1241 OD1 ASN A 84 14.117 7.945 -8.691 1.00 0.00 O ATOM 1242 ND2 ASN A 84 15.689 7.706 -7.115 1.00 0.00 N ATOM 0 H ASN A 84 14.262 8.679 -4.835 1.00 0.00 H new ATOM 0 HA ASN A 84 13.345 11.138 -6.198 1.00 0.00 H new ATOM 0 HB2 ASN A 84 14.335 10.461 -8.237 1.00 0.00 H new ATOM 0 HB3 ASN A 84 15.595 10.263 -7.036 1.00 0.00 H new ATOM 0 HD21 ASN A 84 15.839 6.726 -7.355 1.00 0.00 H new ATOM 0 HD22 ASN A 84 16.230 8.136 -6.364 1.00 0.00 H new ATOM 1249 N ALA A 85 12.182 8.153 -5.894 1.00 0.00 N ATOM 1250 CA ALA A 85 11.064 7.270 -6.156 1.00 0.00 C ATOM 1251 C ALA A 85 10.589 6.636 -4.864 1.00 0.00 C ATOM 1252 O ALA A 85 11.388 6.361 -3.969 1.00 0.00 O ATOM 1253 CB ALA A 85 11.461 6.204 -7.165 1.00 0.00 C ATOM 0 H ALA A 85 12.817 7.826 -5.166 1.00 0.00 H new ATOM 0 HA ALA A 85 10.244 7.851 -6.578 1.00 0.00 H new ATOM 0 HB1 ALA A 85 10.612 5.547 -7.353 1.00 0.00 H new ATOM 0 HB2 ALA A 85 11.765 6.680 -8.097 1.00 0.00 H new ATOM 0 HB3 ALA A 85 12.291 5.619 -6.769 1.00 0.00 H new ATOM 1259 N VAL A 86 9.294 6.410 -4.769 1.00 0.00 N ATOM 1260 CA VAL A 86 8.710 5.855 -3.562 1.00 0.00 C ATOM 1261 C VAL A 86 8.084 4.495 -3.851 1.00 0.00 C ATOM 1262 O VAL A 86 7.516 4.269 -4.923 1.00 0.00 O ATOM 1263 CB VAL A 86 7.654 6.809 -2.947 1.00 0.00 C ATOM 1264 CG1 VAL A 86 6.470 6.990 -3.883 1.00 0.00 C ATOM 1265 CG2 VAL A 86 7.193 6.310 -1.587 1.00 0.00 C ATOM 0 H VAL A 86 8.624 6.602 -5.514 1.00 0.00 H new ATOM 0 HA VAL A 86 9.513 5.732 -2.835 1.00 0.00 H new ATOM 0 HB VAL A 86 8.127 7.781 -2.808 1.00 0.00 H new ATOM 0 HG11 VAL A 86 5.745 7.664 -3.426 1.00 0.00 H new ATOM 0 HG12 VAL A 86 6.814 7.413 -4.827 1.00 0.00 H new ATOM 0 HG13 VAL A 86 6.001 6.024 -4.068 1.00 0.00 H new ATOM 0 HG21 VAL A 86 6.453 6.998 -1.179 1.00 0.00 H new ATOM 0 HG22 VAL A 86 6.749 5.320 -1.694 1.00 0.00 H new ATOM 0 HG23 VAL A 86 8.047 6.253 -0.912 1.00 0.00 H new ATOM 1275 N ARG A 87 8.228 3.584 -2.907 1.00 0.00 N ATOM 1276 CA ARG A 87 7.632 2.265 -3.020 1.00 0.00 C ATOM 1277 C ARG A 87 6.379 2.193 -2.170 1.00 0.00 C ATOM 1278 O ARG A 87 6.435 2.340 -0.956 1.00 0.00 O ATOM 1279 CB ARG A 87 8.624 1.192 -2.578 1.00 0.00 C ATOM 1280 CG ARG A 87 9.877 1.140 -3.434 1.00 0.00 C ATOM 1281 CD ARG A 87 10.836 0.075 -2.943 1.00 0.00 C ATOM 1282 NE ARG A 87 11.982 -0.078 -3.833 1.00 0.00 N ATOM 1283 CZ ARG A 87 13.138 -0.623 -3.470 1.00 0.00 C ATOM 1284 NH1 ARG A 87 13.328 -1.014 -2.215 1.00 0.00 N ATOM 1285 NH2 ARG A 87 14.108 -0.771 -4.362 1.00 0.00 N ATOM 0 H ARG A 87 8.756 3.734 -2.048 1.00 0.00 H new ATOM 0 HA ARG A 87 7.369 2.087 -4.063 1.00 0.00 H new ATOM 0 HB2 ARG A 87 8.908 1.375 -1.542 1.00 0.00 H new ATOM 0 HB3 ARG A 87 8.133 0.219 -2.607 1.00 0.00 H new ATOM 0 HG2 ARG A 87 9.604 0.937 -4.470 1.00 0.00 H new ATOM 0 HG3 ARG A 87 10.371 2.112 -3.419 1.00 0.00 H new ATOM 0 HD2 ARG A 87 11.185 0.334 -1.943 1.00 0.00 H new ATOM 0 HD3 ARG A 87 10.311 -0.877 -2.861 1.00 0.00 H new ATOM 0 HE ARG A 87 11.890 0.254 -4.793 1.00 0.00 H new ATOM 0 HH11 ARG A 87 12.585 -0.896 -1.526 1.00 0.00 H new ATOM 0 HH12 ARG A 87 14.217 -1.432 -1.940 1.00 0.00 H new ATOM 0 HH21 ARG A 87 13.966 -0.467 -5.325 1.00 0.00 H new ATOM 0 HH22 ARG A 87 14.996 -1.189 -4.085 1.00 0.00 H new ATOM 1299 N LEU A 88 5.251 1.987 -2.805 1.00 0.00 N ATOM 1300 CA LEU A 88 3.993 1.937 -2.089 1.00 0.00 C ATOM 1301 C LEU A 88 3.404 0.539 -2.132 1.00 0.00 C ATOM 1302 O LEU A 88 3.112 0.007 -3.201 1.00 0.00 O ATOM 1303 CB LEU A 88 3.011 2.952 -2.672 1.00 0.00 C ATOM 1304 CG LEU A 88 3.470 4.410 -2.592 1.00 0.00 C ATOM 1305 CD1 LEU A 88 2.473 5.323 -3.285 1.00 0.00 C ATOM 1306 CD2 LEU A 88 3.661 4.838 -1.144 1.00 0.00 C ATOM 0 H LEU A 88 5.175 1.851 -3.813 1.00 0.00 H new ATOM 0 HA LEU A 88 4.180 2.193 -1.046 1.00 0.00 H new ATOM 0 HB2 LEU A 88 2.828 2.700 -3.717 1.00 0.00 H new ATOM 0 HB3 LEU A 88 2.059 2.857 -2.150 1.00 0.00 H new ATOM 0 HG LEU A 88 4.429 4.491 -3.103 1.00 0.00 H new ATOM 0 HD11 LEU A 88 2.817 6.355 -3.217 1.00 0.00 H new ATOM 0 HD12 LEU A 88 2.386 5.037 -4.333 1.00 0.00 H new ATOM 0 HD13 LEU A 88 1.500 5.232 -2.802 1.00 0.00 H new ATOM 0 HD21 LEU A 88 3.987 5.878 -1.112 1.00 0.00 H new ATOM 0 HD22 LEU A 88 2.718 4.737 -0.607 1.00 0.00 H new ATOM 0 HD23 LEU A 88 4.415 4.206 -0.674 1.00 0.00 H new ATOM 1318 N LEU A 89 3.237 -0.055 -0.964 1.00 0.00 N ATOM 1319 CA LEU A 89 2.646 -1.377 -0.860 1.00 0.00 C ATOM 1320 C LEU A 89 1.160 -1.208 -0.625 1.00 0.00 C ATOM 1321 O LEU A 89 0.748 -0.638 0.384 1.00 0.00 O ATOM 1322 CB LEU A 89 3.289 -2.150 0.300 1.00 0.00 C ATOM 1323 CG LEU A 89 3.141 -3.684 0.286 1.00 0.00 C ATOM 1324 CD1 LEU A 89 1.709 -4.141 0.488 1.00 0.00 C ATOM 1325 CD2 LEU A 89 3.704 -4.270 -0.991 1.00 0.00 C ATOM 0 H LEU A 89 3.504 0.359 -0.071 1.00 0.00 H new ATOM 0 HA LEU A 89 2.816 -1.943 -1.776 1.00 0.00 H new ATOM 0 HB2 LEU A 89 4.353 -1.912 0.317 1.00 0.00 H new ATOM 0 HB3 LEU A 89 2.864 -1.777 1.232 1.00 0.00 H new ATOM 0 HG LEU A 89 3.717 -4.055 1.134 1.00 0.00 H new ATOM 0 HD11 LEU A 89 1.668 -5.230 0.468 1.00 0.00 H new ATOM 0 HD12 LEU A 89 1.345 -3.782 1.450 1.00 0.00 H new ATOM 0 HD13 LEU A 89 1.083 -3.740 -0.309 1.00 0.00 H new ATOM 0 HD21 LEU A 89 3.588 -5.354 -0.976 1.00 0.00 H new ATOM 0 HD22 LEU A 89 3.169 -3.859 -1.847 1.00 0.00 H new ATOM 0 HD23 LEU A 89 4.762 -4.020 -1.071 1.00 0.00 H new ATOM 1337 N VAL A 90 0.362 -1.675 -1.564 1.00 0.00 N ATOM 1338 CA VAL A 90 -1.078 -1.502 -1.478 1.00 0.00 C ATOM 1339 C VAL A 90 -1.809 -2.793 -1.795 1.00 0.00 C ATOM 1340 O VAL A 90 -1.287 -3.668 -2.492 1.00 0.00 O ATOM 1341 CB VAL A 90 -1.601 -0.385 -2.415 1.00 0.00 C ATOM 1342 CG1 VAL A 90 -1.011 0.965 -2.043 1.00 0.00 C ATOM 1343 CG2 VAL A 90 -1.312 -0.709 -3.873 1.00 0.00 C ATOM 0 H VAL A 90 0.682 -2.176 -2.393 1.00 0.00 H new ATOM 0 HA VAL A 90 -1.280 -1.208 -0.448 1.00 0.00 H new ATOM 0 HB VAL A 90 -2.682 -0.331 -2.287 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -1.396 1.729 -2.718 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -1.288 1.213 -1.018 1.00 0.00 H new ATOM 0 HG13 VAL A 90 0.075 0.923 -2.125 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -1.691 0.093 -4.506 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -0.236 -0.808 -4.017 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -1.802 -1.645 -4.142 1.00 0.00 H new ATOM 1353 N VAL A 91 -3.005 -2.903 -1.251 1.00 0.00 N ATOM 1354 CA VAL A 91 -3.859 -4.052 -1.469 1.00 0.00 C ATOM 1355 C VAL A 91 -5.318 -3.609 -1.418 1.00 0.00 C ATOM 1356 O VAL A 91 -5.644 -2.622 -0.746 1.00 0.00 O ATOM 1357 CB VAL A 91 -3.589 -5.142 -0.405 1.00 0.00 C ATOM 1358 CG1 VAL A 91 -3.831 -4.600 0.997 1.00 0.00 C ATOM 1359 CG2 VAL A 91 -4.430 -6.388 -0.663 1.00 0.00 C ATOM 0 H VAL A 91 -3.413 -2.194 -0.642 1.00 0.00 H new ATOM 0 HA VAL A 91 -3.643 -4.478 -2.449 1.00 0.00 H new ATOM 0 HB VAL A 91 -2.541 -5.431 -0.481 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -3.635 -5.384 1.729 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -3.165 -3.757 1.181 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -4.866 -4.271 1.086 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -4.217 -7.135 0.102 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -5.488 -6.126 -0.630 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -4.187 -6.794 -1.645 1.00 0.00 H new ATOM 1369 N ASP A 92 -6.176 -4.301 -2.158 1.00 0.00 N ATOM 1370 CA ASP A 92 -7.608 -4.042 -2.117 1.00 0.00 C ATOM 1371 C ASP A 92 -8.128 -4.212 -0.692 1.00 0.00 C ATOM 1372 O ASP A 92 -7.931 -5.253 -0.065 1.00 0.00 O ATOM 1373 CB ASP A 92 -8.350 -4.983 -3.070 1.00 0.00 C ATOM 1374 CG ASP A 92 -8.082 -4.666 -4.529 1.00 0.00 C ATOM 1375 OD1 ASP A 92 -7.073 -5.156 -5.078 1.00 0.00 O ATOM 1376 OD2 ASP A 92 -8.885 -3.921 -5.133 1.00 0.00 O ATOM 0 H ASP A 92 -5.902 -5.049 -2.796 1.00 0.00 H new ATOM 0 HA ASP A 92 -7.788 -3.016 -2.438 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -8.052 -6.011 -2.865 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -9.421 -4.917 -2.879 1.00 0.00 H new ATOM 1381 N PRO A 93 -8.800 -3.164 -0.178 1.00 0.00 N ATOM 1382 CA PRO A 93 -9.174 -3.044 1.240 1.00 0.00 C ATOM 1383 C PRO A 93 -9.989 -4.219 1.765 1.00 0.00 C ATOM 1384 O PRO A 93 -9.801 -4.652 2.901 1.00 0.00 O ATOM 1385 CB PRO A 93 -10.008 -1.756 1.295 1.00 0.00 C ATOM 1386 CG PRO A 93 -10.377 -1.463 -0.118 1.00 0.00 C ATOM 1387 CD PRO A 93 -9.260 -2.005 -0.955 1.00 0.00 C ATOM 0 HA PRO A 93 -8.284 -3.029 1.870 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -10.896 -1.889 1.913 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -9.436 -0.936 1.730 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -11.325 -1.933 -0.380 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -10.499 -0.391 -0.276 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -9.603 -2.295 -1.948 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -8.466 -1.271 -1.094 1.00 0.00 H new ATOM 1395 N GLU A 94 -10.889 -4.733 0.939 1.00 0.00 N ATOM 1396 CA GLU A 94 -11.729 -5.851 1.341 1.00 0.00 C ATOM 1397 C GLU A 94 -10.888 -7.113 1.486 1.00 0.00 C ATOM 1398 O GLU A 94 -11.085 -7.908 2.410 1.00 0.00 O ATOM 1399 CB GLU A 94 -12.835 -6.081 0.316 1.00 0.00 C ATOM 1400 CG GLU A 94 -13.721 -4.869 0.089 1.00 0.00 C ATOM 1401 CD GLU A 94 -14.678 -5.071 -1.063 1.00 0.00 C ATOM 1402 OE1 GLU A 94 -14.215 -5.090 -2.222 1.00 0.00 O ATOM 1403 OE2 GLU A 94 -15.894 -5.221 -0.818 1.00 0.00 O ATOM 0 H GLU A 94 -11.056 -4.395 -0.009 1.00 0.00 H new ATOM 0 HA GLU A 94 -12.185 -5.613 2.302 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -12.384 -6.372 -0.632 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -13.454 -6.916 0.644 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -14.287 -4.659 0.997 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -13.098 -3.997 -0.107 1.00 0.00 H new ATOM 1410 N THR A 95 -9.941 -7.272 0.572 1.00 0.00 N ATOM 1411 CA THR A 95 -9.069 -8.432 0.551 1.00 0.00 C ATOM 1412 C THR A 95 -8.074 -8.397 1.703 1.00 0.00 C ATOM 1413 O THR A 95 -7.745 -9.434 2.280 1.00 0.00 O ATOM 1414 CB THR A 95 -8.299 -8.524 -0.773 1.00 0.00 C ATOM 1415 OG1 THR A 95 -9.206 -8.367 -1.872 1.00 0.00 O ATOM 1416 CG2 THR A 95 -7.590 -9.864 -0.879 1.00 0.00 C ATOM 0 H THR A 95 -9.758 -6.600 -0.173 1.00 0.00 H new ATOM 0 HA THR A 95 -9.707 -9.309 0.657 1.00 0.00 H new ATOM 0 HB THR A 95 -7.554 -7.729 -0.803 1.00 0.00 H new ATOM 0 HG1 THR A 95 -8.711 -8.425 -2.716 1.00 0.00 H new ATOM 0 HG21 THR A 95 -7.048 -9.915 -1.823 1.00 0.00 H new ATOM 0 HG22 THR A 95 -6.889 -9.971 -0.052 1.00 0.00 H new ATOM 0 HG23 THR A 95 -8.324 -10.668 -0.838 1.00 0.00 H new ATOM 1424 N ASP A 96 -7.601 -7.206 2.041 1.00 0.00 N ATOM 1425 CA ASP A 96 -6.619 -7.057 3.107 1.00 0.00 C ATOM 1426 C ASP A 96 -7.140 -7.643 4.409 1.00 0.00 C ATOM 1427 O ASP A 96 -6.451 -8.414 5.073 1.00 0.00 O ATOM 1428 CB ASP A 96 -6.289 -5.579 3.310 1.00 0.00 C ATOM 1429 CG ASP A 96 -5.543 -5.319 4.605 1.00 0.00 C ATOM 1430 OD1 ASP A 96 -4.331 -5.606 4.671 1.00 0.00 O ATOM 1431 OD2 ASP A 96 -6.177 -4.825 5.563 1.00 0.00 O ATOM 0 H ASP A 96 -7.879 -6.332 1.595 1.00 0.00 H new ATOM 0 HA ASP A 96 -5.718 -7.597 2.817 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -5.688 -5.227 2.472 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -7.213 -5.001 3.305 1.00 0.00 H new ATOM 1436 N GLU A 97 -8.381 -7.324 4.735 1.00 0.00 N ATOM 1437 CA GLU A 97 -8.978 -7.771 5.981 1.00 0.00 C ATOM 1438 C GLU A 97 -9.144 -9.290 6.006 1.00 0.00 C ATOM 1439 O GLU A 97 -8.929 -9.924 7.040 1.00 0.00 O ATOM 1440 CB GLU A 97 -10.325 -7.087 6.194 1.00 0.00 C ATOM 1441 CG GLU A 97 -10.238 -5.570 6.207 1.00 0.00 C ATOM 1442 CD GLU A 97 -11.571 -4.918 6.491 1.00 0.00 C ATOM 1443 OE1 GLU A 97 -12.560 -5.264 5.814 1.00 0.00 O ATOM 1444 OE2 GLU A 97 -11.642 -4.063 7.399 1.00 0.00 O ATOM 0 H GLU A 97 -8.996 -6.756 4.152 1.00 0.00 H new ATOM 0 HA GLU A 97 -8.306 -7.496 6.794 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -11.010 -7.397 5.405 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -10.751 -7.427 7.138 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -9.516 -5.257 6.961 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -9.865 -5.222 5.244 1.00 0.00 H new ATOM 1451 N GLN A 98 -9.529 -9.876 4.873 1.00 0.00 N ATOM 1452 CA GLN A 98 -9.730 -11.322 4.806 1.00 0.00 C ATOM 1453 C GLN A 98 -8.391 -12.063 4.840 1.00 0.00 C ATOM 1454 O GLN A 98 -8.267 -13.094 5.495 1.00 0.00 O ATOM 1455 CB GLN A 98 -10.552 -11.729 3.572 1.00 0.00 C ATOM 1456 CG GLN A 98 -9.870 -11.461 2.244 1.00 0.00 C ATOM 1457 CD GLN A 98 -10.760 -11.751 1.056 1.00 0.00 C ATOM 1458 OE1 GLN A 98 -11.501 -10.882 0.590 1.00 0.00 O ATOM 1459 NE2 GLN A 98 -10.691 -12.970 0.555 1.00 0.00 N ATOM 0 H GLN A 98 -9.706 -9.379 4.000 1.00 0.00 H new ATOM 0 HA GLN A 98 -10.303 -11.611 5.687 1.00 0.00 H new ATOM 0 HB2 GLN A 98 -10.782 -12.792 3.639 1.00 0.00 H new ATOM 0 HB3 GLN A 98 -11.502 -11.195 3.592 1.00 0.00 H new ATOM 0 HG2 GLN A 98 -9.553 -10.419 2.208 1.00 0.00 H new ATOM 0 HG3 GLN A 98 -8.969 -12.071 2.174 1.00 0.00 H new ATOM 0 HE21 GLN A 98 -10.064 -13.658 0.972 1.00 0.00 H new ATOM 0 HE22 GLN A 98 -11.265 -13.224 -0.249 1.00 0.00 H new ATOM 1468 N LEU A 99 -7.385 -11.527 4.145 1.00 0.00 N ATOM 1469 CA LEU A 99 -6.071 -12.162 4.105 1.00 0.00 C ATOM 1470 C LEU A 99 -5.370 -12.043 5.460 1.00 0.00 C ATOM 1471 O LEU A 99 -4.637 -12.943 5.870 1.00 0.00 O ATOM 1472 CB LEU A 99 -5.195 -11.567 2.994 1.00 0.00 C ATOM 1473 CG LEU A 99 -5.674 -11.828 1.557 1.00 0.00 C ATOM 1474 CD1 LEU A 99 -4.661 -11.302 0.554 1.00 0.00 C ATOM 1475 CD2 LEU A 99 -5.917 -13.314 1.319 1.00 0.00 C ATOM 0 H LEU A 99 -7.456 -10.663 3.608 1.00 0.00 H new ATOM 0 HA LEU A 99 -6.222 -13.218 3.883 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -5.130 -10.490 3.146 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -4.186 -11.966 3.099 1.00 0.00 H new ATOM 0 HG LEU A 99 -6.617 -11.299 1.420 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -5.017 -11.496 -0.458 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -4.533 -10.229 0.695 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -3.705 -11.804 0.705 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -6.255 -13.468 0.294 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -4.991 -13.865 1.482 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -6.679 -13.673 2.010 1.00 0.00 H new ATOM 1487 N GLN A 100 -5.601 -10.933 6.157 1.00 0.00 N ATOM 1488 CA GLN A 100 -5.051 -10.745 7.498 1.00 0.00 C ATOM 1489 C GLN A 100 -5.662 -11.740 8.479 1.00 0.00 C ATOM 1490 O GLN A 100 -4.993 -12.200 9.403 1.00 0.00 O ATOM 1491 CB GLN A 100 -5.252 -9.314 8.003 1.00 0.00 C ATOM 1492 CG GLN A 100 -4.381 -8.291 7.291 1.00 0.00 C ATOM 1493 CD GLN A 100 -4.235 -7.000 8.071 1.00 0.00 C ATOM 1494 OE1 GLN A 100 -4.266 -6.997 9.303 1.00 0.00 O ATOM 1495 NE2 GLN A 100 -4.067 -5.896 7.367 1.00 0.00 N ATOM 0 H GLN A 100 -6.163 -10.152 5.817 1.00 0.00 H new ATOM 0 HA GLN A 100 -3.978 -10.927 7.432 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -6.299 -9.037 7.879 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -5.038 -9.281 9.071 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -3.394 -8.719 7.118 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -4.810 -8.073 6.313 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -4.047 -5.939 6.348 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -3.957 -5.000 7.842 1.00 0.00 H new ATOM 1504 N LYS A 101 -6.937 -12.067 8.277 1.00 0.00 N ATOM 1505 CA LYS A 101 -7.615 -13.068 9.103 1.00 0.00 C ATOM 1506 C LYS A 101 -6.949 -14.434 8.967 1.00 0.00 C ATOM 1507 O LYS A 101 -7.141 -15.316 9.806 1.00 0.00 O ATOM 1508 CB LYS A 101 -9.097 -13.178 8.733 1.00 0.00 C ATOM 1509 CG LYS A 101 -9.918 -11.968 9.138 1.00 0.00 C ATOM 1510 CD LYS A 101 -11.376 -12.134 8.746 1.00 0.00 C ATOM 1511 CE LYS A 101 -12.200 -10.927 9.156 1.00 0.00 C ATOM 1512 NZ LYS A 101 -11.731 -9.685 8.490 1.00 0.00 N ATOM 0 H LYS A 101 -7.522 -11.655 7.550 1.00 0.00 H new ATOM 0 HA LYS A 101 -7.536 -12.740 10.139 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -9.184 -13.321 7.656 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -9.516 -14.066 9.207 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -9.844 -11.819 10.215 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -9.511 -11.075 8.664 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -11.450 -12.278 7.668 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -11.781 -13.030 9.216 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -13.247 -11.100 8.906 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -12.147 -10.801 10.237 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -12.539 -9.203 8.046 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -11.297 -9.056 9.195 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -11.029 -9.926 7.762 1.00 0.00 H new ATOM 1526 N LEU A 102 -6.182 -14.607 7.899 1.00 0.00 N ATOM 1527 CA LEU A 102 -5.457 -15.848 7.666 1.00 0.00 C ATOM 1528 C LEU A 102 -4.118 -15.834 8.405 1.00 0.00 C ATOM 1529 O LEU A 102 -3.435 -16.854 8.494 1.00 0.00 O ATOM 1530 CB LEU A 102 -5.246 -16.052 6.166 1.00 0.00 C ATOM 1531 CG LEU A 102 -6.527 -16.018 5.330 1.00 0.00 C ATOM 1532 CD1 LEU A 102 -6.199 -16.016 3.849 1.00 0.00 C ATOM 1533 CD2 LEU A 102 -7.420 -17.199 5.676 1.00 0.00 C ATOM 0 H LEU A 102 -6.046 -13.899 7.177 1.00 0.00 H new ATOM 0 HA LEU A 102 -6.046 -16.680 8.052 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -4.569 -15.280 5.800 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -4.751 -17.011 6.009 1.00 0.00 H new ATOM 0 HG LEU A 102 -7.064 -15.099 5.563 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -7.123 -15.992 3.272 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -5.599 -15.138 3.610 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -5.639 -16.917 3.599 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -8.327 -17.159 5.072 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -6.889 -18.129 5.472 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -7.686 -17.157 6.732 1.00 0.00 H new ATOM 1545 N GLY A 103 -3.754 -14.671 8.940 1.00 0.00 N ATOM 1546 CA GLY A 103 -2.541 -14.556 9.732 1.00 0.00 C ATOM 1547 C GLY A 103 -1.318 -14.212 8.904 1.00 0.00 C ATOM 1548 O GLY A 103 -0.191 -14.268 9.398 1.00 0.00 O ATOM 0 H GLY A 103 -4.280 -13.803 8.838 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -2.683 -13.790 10.494 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -2.365 -15.496 10.255 1.00 0.00 H new ATOM 1552 N VAL A 104 -1.533 -13.835 7.653 1.00 0.00 N ATOM 1553 CA VAL A 104 -0.429 -13.560 6.744 1.00 0.00 C ATOM 1554 C VAL A 104 -0.061 -12.080 6.759 1.00 0.00 C ATOM 1555 O VAL A 104 -0.932 -11.211 6.778 1.00 0.00 O ATOM 1556 CB VAL A 104 -0.772 -13.985 5.301 1.00 0.00 C ATOM 1557 CG1 VAL A 104 0.451 -13.873 4.402 1.00 0.00 C ATOM 1558 CG2 VAL A 104 -1.331 -15.400 5.284 1.00 0.00 C ATOM 0 H VAL A 104 -2.459 -13.712 7.244 1.00 0.00 H new ATOM 0 HA VAL A 104 0.423 -14.144 7.091 1.00 0.00 H new ATOM 0 HB VAL A 104 -1.536 -13.311 4.914 1.00 0.00 H new ATOM 0 HG11 VAL A 104 0.187 -14.177 3.389 1.00 0.00 H new ATOM 0 HG12 VAL A 104 0.801 -12.841 4.391 1.00 0.00 H new ATOM 0 HG13 VAL A 104 1.242 -14.520 4.781 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -1.568 -15.685 4.259 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -0.590 -16.089 5.690 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -2.236 -15.441 5.891 1.00 0.00 H new ATOM 1568 N GLN A 105 1.240 -11.807 6.754 1.00 0.00 N ATOM 1569 CA GLN A 105 1.745 -10.440 6.768 1.00 0.00 C ATOM 1570 C GLN A 105 1.640 -9.819 5.376 1.00 0.00 C ATOM 1571 O GLN A 105 2.500 -10.037 4.516 1.00 0.00 O ATOM 1572 CB GLN A 105 3.199 -10.403 7.252 1.00 0.00 C ATOM 1573 CG GLN A 105 3.417 -11.026 8.627 1.00 0.00 C ATOM 1574 CD GLN A 105 3.469 -12.547 8.602 1.00 0.00 C ATOM 1575 OE1 GLN A 105 3.093 -13.207 9.569 1.00 0.00 O ATOM 1576 NE2 GLN A 105 3.952 -13.113 7.505 1.00 0.00 N ATOM 0 H GLN A 105 1.968 -12.521 6.740 1.00 0.00 H new ATOM 0 HA GLN A 105 1.135 -9.860 7.460 1.00 0.00 H new ATOM 0 HB2 GLN A 105 3.825 -10.923 6.527 1.00 0.00 H new ATOM 0 HB3 GLN A 105 3.535 -9.366 7.278 1.00 0.00 H new ATOM 0 HG2 GLN A 105 4.348 -10.645 9.046 1.00 0.00 H new ATOM 0 HG3 GLN A 105 2.614 -10.708 9.293 1.00 0.00 H new ATOM 0 HE21 GLN A 105 4.254 -12.533 6.722 1.00 0.00 H new ATOM 0 HE22 GLN A 105 4.021 -14.129 7.443 1.00 0.00 H new ATOM 1585 N VAL A 106 0.587 -9.041 5.178 1.00 0.00 N ATOM 1586 CA VAL A 106 0.264 -8.447 3.882 1.00 0.00 C ATOM 1587 C VAL A 106 1.314 -7.419 3.441 1.00 0.00 C ATOM 1588 O VAL A 106 1.473 -7.158 2.250 1.00 0.00 O ATOM 1589 CB VAL A 106 -1.140 -7.784 3.934 1.00 0.00 C ATOM 1590 CG1 VAL A 106 -1.520 -7.140 2.606 1.00 0.00 C ATOM 1591 CG2 VAL A 106 -2.186 -8.810 4.338 1.00 0.00 C ATOM 0 H VAL A 106 -0.075 -8.800 5.916 1.00 0.00 H new ATOM 0 HA VAL A 106 0.262 -9.251 3.146 1.00 0.00 H new ATOM 0 HB VAL A 106 -1.101 -6.991 4.680 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -2.509 -6.689 2.690 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -0.791 -6.370 2.353 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -1.532 -7.899 1.824 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -3.167 -8.336 4.372 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -2.200 -9.621 3.610 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -1.942 -9.210 5.322 1.00 0.00 H new ATOM 1601 N ARG A 107 2.055 -6.877 4.405 1.00 0.00 N ATOM 1602 CA ARG A 107 2.994 -5.780 4.140 1.00 0.00 C ATOM 1603 C ARG A 107 4.077 -6.153 3.126 1.00 0.00 C ATOM 1604 O ARG A 107 4.496 -5.316 2.336 1.00 0.00 O ATOM 1605 CB ARG A 107 3.659 -5.311 5.438 1.00 0.00 C ATOM 1606 CG ARG A 107 4.393 -6.414 6.186 1.00 0.00 C ATOM 1607 CD ARG A 107 5.429 -5.846 7.143 1.00 0.00 C ATOM 1608 NE ARG A 107 6.431 -5.056 6.431 1.00 0.00 N ATOM 1609 CZ ARG A 107 7.728 -5.351 6.378 1.00 0.00 C ATOM 1610 NH1 ARG A 107 8.216 -6.383 7.052 1.00 0.00 N ATOM 1611 NH2 ARG A 107 8.541 -4.606 5.644 1.00 0.00 N ATOM 0 H ARG A 107 2.026 -7.177 5.379 1.00 0.00 H new ATOM 0 HA ARG A 107 2.402 -4.972 3.710 1.00 0.00 H new ATOM 0 HB2 ARG A 107 4.363 -4.512 5.206 1.00 0.00 H new ATOM 0 HB3 ARG A 107 2.898 -4.886 6.092 1.00 0.00 H new ATOM 0 HG2 ARG A 107 3.675 -7.018 6.742 1.00 0.00 H new ATOM 0 HG3 ARG A 107 4.881 -7.077 5.471 1.00 0.00 H new ATOM 0 HD2 ARG A 107 4.935 -5.224 7.890 1.00 0.00 H new ATOM 0 HD3 ARG A 107 5.918 -6.660 7.679 1.00 0.00 H new ATOM 0 HE ARG A 107 6.114 -4.220 5.940 1.00 0.00 H new ATOM 0 HH11 ARG A 107 7.596 -6.961 7.619 1.00 0.00 H new ATOM 0 HH12 ARG A 107 9.212 -6.599 7.003 1.00 0.00 H new ATOM 0 HH21 ARG A 107 8.172 -3.810 5.123 1.00 0.00 H new ATOM 0 HH22 ARG A 107 9.536 -4.828 5.600 1.00 0.00 H new ATOM 1625 N GLU A 108 4.529 -7.397 3.146 1.00 0.00 N ATOM 1626 CA GLU A 108 5.573 -7.831 2.223 1.00 0.00 C ATOM 1627 C GLU A 108 5.678 -9.344 2.194 1.00 0.00 C ATOM 1628 O GLU A 108 5.864 -9.946 1.135 1.00 0.00 O ATOM 1629 CB GLU A 108 6.940 -7.250 2.605 1.00 0.00 C ATOM 1630 CG GLU A 108 8.071 -7.777 1.731 1.00 0.00 C ATOM 1631 CD GLU A 108 9.447 -7.373 2.213 1.00 0.00 C ATOM 1632 OE1 GLU A 108 9.579 -6.947 3.380 1.00 0.00 O ATOM 1633 OE2 GLU A 108 10.413 -7.497 1.427 1.00 0.00 O ATOM 0 H GLU A 108 4.195 -8.120 3.783 1.00 0.00 H new ATOM 0 HA GLU A 108 5.292 -7.463 1.236 1.00 0.00 H new ATOM 0 HB2 GLU A 108 6.903 -6.163 2.527 1.00 0.00 H new ATOM 0 HB3 GLU A 108 7.152 -7.487 3.648 1.00 0.00 H new ATOM 0 HG2 GLU A 108 8.013 -8.865 1.693 1.00 0.00 H new ATOM 0 HG3 GLU A 108 7.931 -7.415 0.713 1.00 0.00 H new ATOM 1640 N GLU A 109 5.558 -9.956 3.367 1.00 0.00 N ATOM 1641 CA GLU A 109 5.707 -11.400 3.504 1.00 0.00 C ATOM 1642 C GLU A 109 4.756 -12.150 2.588 1.00 0.00 C ATOM 1643 O GLU A 109 5.072 -13.234 2.120 1.00 0.00 O ATOM 1644 CB GLU A 109 5.480 -11.823 4.953 1.00 0.00 C ATOM 1645 CG GLU A 109 6.522 -11.279 5.912 1.00 0.00 C ATOM 1646 CD GLU A 109 7.920 -11.707 5.527 1.00 0.00 C ATOM 1647 OE1 GLU A 109 8.291 -12.862 5.820 1.00 0.00 O ATOM 1648 OE2 GLU A 109 8.646 -10.899 4.908 1.00 0.00 O ATOM 0 H GLU A 109 5.357 -9.471 4.241 1.00 0.00 H new ATOM 0 HA GLU A 109 6.726 -11.655 3.211 1.00 0.00 H new ATOM 0 HB2 GLU A 109 4.493 -11.486 5.271 1.00 0.00 H new ATOM 0 HB3 GLU A 109 5.479 -12.912 5.010 1.00 0.00 H new ATOM 0 HG2 GLU A 109 6.467 -10.191 5.929 1.00 0.00 H new ATOM 0 HG3 GLU A 109 6.302 -11.625 6.922 1.00 0.00 H new ATOM 1655 N LEU A 110 3.601 -11.558 2.324 1.00 0.00 N ATOM 1656 CA LEU A 110 2.624 -12.162 1.433 1.00 0.00 C ATOM 1657 C LEU A 110 3.181 -12.232 0.011 1.00 0.00 C ATOM 1658 O LEU A 110 3.022 -13.237 -0.676 1.00 0.00 O ATOM 1659 CB LEU A 110 1.330 -11.344 1.460 1.00 0.00 C ATOM 1660 CG LEU A 110 0.042 -12.135 1.232 1.00 0.00 C ATOM 1661 CD1 LEU A 110 -1.162 -11.304 1.637 1.00 0.00 C ATOM 1662 CD2 LEU A 110 -0.081 -12.562 -0.221 1.00 0.00 C ATOM 0 H LEU A 110 3.318 -10.659 2.715 1.00 0.00 H new ATOM 0 HA LEU A 110 2.409 -13.176 1.769 1.00 0.00 H new ATOM 0 HB2 LEU A 110 1.260 -10.841 2.424 1.00 0.00 H new ATOM 0 HB3 LEU A 110 1.397 -10.567 0.699 1.00 0.00 H new ATOM 0 HG LEU A 110 0.078 -13.032 1.850 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -2.073 -11.878 1.470 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -1.086 -11.043 2.693 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -1.193 -10.393 1.040 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -1.005 -13.123 -0.358 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -0.094 -11.679 -0.860 1.00 0.00 H new ATOM 0 HD23 LEU A 110 0.768 -13.191 -0.489 1.00 0.00 H new ATOM 1674 N LEU A 111 3.874 -11.176 -0.403 1.00 0.00 N ATOM 1675 CA LEU A 111 4.438 -11.105 -1.748 1.00 0.00 C ATOM 1676 C LEU A 111 5.584 -12.101 -1.897 1.00 0.00 C ATOM 1677 O LEU A 111 5.832 -12.629 -2.982 1.00 0.00 O ATOM 1678 CB LEU A 111 4.942 -9.689 -2.071 1.00 0.00 C ATOM 1679 CG LEU A 111 3.871 -8.592 -2.164 1.00 0.00 C ATOM 1680 CD1 LEU A 111 3.439 -8.116 -0.782 1.00 0.00 C ATOM 1681 CD2 LEU A 111 4.390 -7.422 -2.986 1.00 0.00 C ATOM 0 H LEU A 111 4.059 -10.356 0.174 1.00 0.00 H new ATOM 0 HA LEU A 111 3.644 -11.357 -2.451 1.00 0.00 H new ATOM 0 HB2 LEU A 111 5.663 -9.400 -1.307 1.00 0.00 H new ATOM 0 HB3 LEU A 111 5.479 -9.725 -3.019 1.00 0.00 H new ATOM 0 HG LEU A 111 2.997 -9.017 -2.658 1.00 0.00 H new ATOM 0 HD11 LEU A 111 2.681 -7.340 -0.885 1.00 0.00 H new ATOM 0 HD12 LEU A 111 3.026 -8.954 -0.221 1.00 0.00 H new ATOM 0 HD13 LEU A 111 4.301 -7.713 -0.250 1.00 0.00 H new ATOM 0 HD21 LEU A 111 3.623 -6.650 -3.045 1.00 0.00 H new ATOM 0 HD22 LEU A 111 5.282 -7.011 -2.512 1.00 0.00 H new ATOM 0 HD23 LEU A 111 4.638 -7.765 -3.990 1.00 0.00 H new