USER MOD reduce.3.24.130724 H: found=0, std=0, add=561, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 560 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 NoAdj-H: A 60 ASNHD21 : A 60 ASN ND2 : A 77 CECE :(H bumps) USER MOD Set 1.1: A 28 THR OG1 : rot -134:sc= 0.209! USER MOD Set 1.2: A 29 THR OG1 : rot 180:sc= 0.125 USER MOD Single : A 0 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 0 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 GLN : amide:sc= -0.101 K(o=-0.1,f=-2!) USER MOD Single : A 5 THR OG1 : rot -68:sc= 0.276 USER MOD Single : A 8 GLN : amide:sc= -2.67! C(o=-2.7!,f=-2.4!) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot 78:sc= -1.82 USER MOD Single : A 30 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.016) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= -1.16 K(o=-1.2,f=-3.6!) USER MOD Single : A 42 ASN : amide:sc= -0.0635 K(o=-0.063,f=-1.2!) USER MOD Single : A 44 THR OG1 : rot -170:sc= 0.107 USER MOD Single : A 49 GLN : amide:sc= -0.0971 K(o=-0.097,f=-0.85) USER MOD Single : A 51 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 53 ASN : amide:sc= -0.234 K(o=-0.23,f=-1.7!) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0.0251 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 MET CE :methyl -126:sc= -0.0151 (180deg=-0.155) USER MOD Single : A 72 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 0 -9.929 -24.014 6.880 1.00 0.00 N ATOM 2 CA MET A 0 -10.338 -25.232 6.203 1.00 0.00 C ATOM 3 C MET A 0 -10.360 -25.036 4.686 1.00 0.00 C ATOM 4 O MET A 0 -9.757 -25.813 3.947 1.00 0.00 O ATOM 5 CB MET A 0 -11.732 -25.641 6.685 1.00 0.00 C ATOM 6 CG MET A 0 -11.643 -26.711 7.775 1.00 0.00 C ATOM 7 SD MET A 0 -13.259 -27.005 8.474 1.00 0.00 S ATOM 8 CE MET A 0 -12.805 -27.372 10.161 1.00 0.00 C ATOM 0 H1 MET A 0 -9.922 -24.174 7.908 1.00 0.00 H new ATOM 0 H2 MET A 0 -8.975 -23.745 6.565 1.00 0.00 H new ATOM 0 H3 MET A 0 -10.597 -23.250 6.653 1.00 0.00 H new ATOM 0 HA MET A 0 -9.618 -26.015 6.439 1.00 0.00 H new ATOM 0 HB2 MET A 0 -12.258 -24.768 7.070 1.00 0.00 H new ATOM 0 HB3 MET A 0 -12.315 -26.020 5.845 1.00 0.00 H new ATOM 0 HG2 MET A 0 -11.245 -27.636 7.357 1.00 0.00 H new ATOM 0 HG3 MET A 0 -10.953 -26.391 8.555 1.00 0.00 H new ATOM 0 HE1 MET A 0 -13.703 -27.581 10.742 1.00 0.00 H new ATOM 0 HE2 MET A 0 -12.149 -28.242 10.180 1.00 0.00 H new ATOM 0 HE3 MET A 0 -12.285 -26.517 10.592 1.00 0.00 H new ATOM 18 N ALA A 1 -11.061 -23.992 4.266 1.00 0.00 N ATOM 19 CA ALA A 1 -11.169 -23.684 2.851 1.00 0.00 C ATOM 20 C ALA A 1 -11.380 -22.178 2.676 1.00 0.00 C ATOM 21 O ALA A 1 -11.349 -21.427 3.649 1.00 0.00 O ATOM 22 CB ALA A 1 -12.301 -24.507 2.233 1.00 0.00 C ATOM 0 H ALA A 1 -11.559 -23.349 4.882 1.00 0.00 H new ATOM 0 HA ALA A 1 -10.250 -23.951 2.329 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -12.381 -24.275 1.171 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -12.089 -25.569 2.358 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -13.240 -24.264 2.730 1.00 0.00 H new ATOM 28 N ASP A 2 -11.589 -21.783 1.429 1.00 0.00 N ATOM 29 CA ASP A 2 -11.805 -20.381 1.114 1.00 0.00 C ATOM 30 C ASP A 2 -13.247 -20.186 0.641 1.00 0.00 C ATOM 31 O ASP A 2 -14.035 -21.130 0.631 1.00 0.00 O ATOM 32 CB ASP A 2 -10.873 -19.918 -0.007 1.00 0.00 C ATOM 33 CG ASP A 2 -9.737 -18.993 0.437 1.00 0.00 C ATOM 34 OD1 ASP A 2 -10.050 -18.007 1.138 1.00 0.00 O ATOM 35 OD2 ASP A 2 -8.582 -19.294 0.065 1.00 0.00 O ATOM 0 H ASP A 2 -11.613 -22.409 0.624 1.00 0.00 H new ATOM 0 HA ASP A 2 -11.604 -19.798 2.013 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -10.440 -20.797 -0.485 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -11.466 -19.403 -0.763 1.00 0.00 H new ATOM 40 N GLN A 3 -13.549 -18.953 0.259 1.00 0.00 N ATOM 41 CA GLN A 3 -14.882 -18.621 -0.214 1.00 0.00 C ATOM 42 C GLN A 3 -14.962 -17.137 -0.578 1.00 0.00 C ATOM 43 O GLN A 3 -14.363 -16.297 0.092 1.00 0.00 O ATOM 44 CB GLN A 3 -15.941 -18.989 0.828 1.00 0.00 C ATOM 45 CG GLN A 3 -17.218 -19.495 0.155 1.00 0.00 C ATOM 46 CD GLN A 3 -18.031 -20.370 1.112 1.00 0.00 C ATOM 47 OE1 GLN A 3 -17.564 -20.794 2.156 1.00 0.00 O ATOM 48 NE2 GLN A 3 -19.271 -20.616 0.698 1.00 0.00 N ATOM 0 H GLN A 3 -12.893 -18.172 0.268 1.00 0.00 H new ATOM 0 HA GLN A 3 -15.084 -19.206 -1.111 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -15.549 -19.756 1.495 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -16.170 -18.118 1.443 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -17.822 -18.648 -0.171 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -16.962 -20.066 -0.737 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -19.599 -20.230 -0.187 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -19.894 -21.191 1.266 1.00 0.00 H new ATOM 57 N LEU A 4 -15.707 -16.860 -1.637 1.00 0.00 N ATOM 58 CA LEU A 4 -15.874 -15.492 -2.098 1.00 0.00 C ATOM 59 C LEU A 4 -16.433 -14.639 -0.958 1.00 0.00 C ATOM 60 O LEU A 4 -16.510 -15.094 0.183 1.00 0.00 O ATOM 61 CB LEU A 4 -16.725 -15.454 -3.369 1.00 0.00 C ATOM 62 CG LEU A 4 -17.940 -16.385 -3.390 1.00 0.00 C ATOM 63 CD1 LEU A 4 -19.214 -15.615 -3.744 1.00 0.00 C ATOM 64 CD2 LEU A 4 -17.706 -17.569 -4.330 1.00 0.00 C ATOM 0 H LEU A 4 -16.202 -17.560 -2.190 1.00 0.00 H new ATOM 0 HA LEU A 4 -14.911 -15.064 -2.375 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -17.072 -14.432 -3.520 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -16.087 -15.702 -4.217 1.00 0.00 H new ATOM 0 HG LEU A 4 -18.077 -16.791 -2.388 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -20.062 -16.299 -3.752 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -19.385 -14.834 -3.003 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -19.104 -15.162 -4.729 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -18.584 -18.215 -4.327 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -17.530 -17.202 -5.341 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -16.838 -18.135 -3.993 1.00 0.00 H new ATOM 76 N THR A 5 -16.809 -13.417 -1.305 1.00 0.00 N ATOM 77 CA THR A 5 -17.359 -12.496 -0.324 1.00 0.00 C ATOM 78 C THR A 5 -16.353 -12.254 0.802 1.00 0.00 C ATOM 79 O THR A 5 -15.145 -12.363 0.596 1.00 0.00 O ATOM 80 CB THR A 5 -18.692 -13.066 0.163 1.00 0.00 C ATOM 81 OG1 THR A 5 -18.330 -13.918 1.246 1.00 0.00 O ATOM 82 CG2 THR A 5 -19.334 -14.009 -0.856 1.00 0.00 C ATOM 0 H THR A 5 -16.744 -13.043 -2.252 1.00 0.00 H new ATOM 0 HA THR A 5 -17.549 -11.517 -0.763 1.00 0.00 H new ATOM 0 HB THR A 5 -19.378 -12.248 0.381 1.00 0.00 H new ATOM 0 HG1 THR A 5 -17.835 -14.691 0.903 1.00 0.00 H new ATOM 0 HG21 THR A 5 -20.277 -14.385 -0.460 1.00 0.00 H new ATOM 0 HG22 THR A 5 -19.520 -13.469 -1.785 1.00 0.00 H new ATOM 0 HG23 THR A 5 -18.663 -14.846 -1.051 1.00 0.00 H new ATOM 90 N GLU A 6 -16.888 -11.929 1.970 1.00 0.00 N ATOM 91 CA GLU A 6 -16.052 -11.670 3.130 1.00 0.00 C ATOM 92 C GLU A 6 -14.827 -12.587 3.117 1.00 0.00 C ATOM 93 O GLU A 6 -13.693 -12.113 3.076 1.00 0.00 O ATOM 94 CB GLU A 6 -16.847 -11.835 4.427 1.00 0.00 C ATOM 95 CG GLU A 6 -17.785 -10.647 4.650 1.00 0.00 C ATOM 96 CD GLU A 6 -18.241 -10.575 6.108 1.00 0.00 C ATOM 97 OE1 GLU A 6 -19.183 -11.324 6.446 1.00 0.00 O ATOM 98 OE2 GLU A 6 -17.638 -9.772 6.853 1.00 0.00 O ATOM 0 H GLU A 6 -17.890 -11.839 2.138 1.00 0.00 H new ATOM 0 HA GLU A 6 -15.708 -10.637 3.082 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -17.426 -12.758 4.388 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -16.161 -11.924 5.269 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -17.277 -9.722 4.378 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -18.654 -10.737 3.998 1.00 0.00 H new ATOM 105 N GLU A 7 -15.098 -13.883 3.154 1.00 0.00 N ATOM 106 CA GLU A 7 -14.032 -14.871 3.146 1.00 0.00 C ATOM 107 C GLU A 7 -12.931 -14.457 2.168 1.00 0.00 C ATOM 108 O GLU A 7 -11.748 -14.510 2.501 1.00 0.00 O ATOM 109 CB GLU A 7 -14.575 -16.260 2.806 1.00 0.00 C ATOM 110 CG GLU A 7 -15.138 -16.949 4.050 1.00 0.00 C ATOM 111 CD GLU A 7 -14.373 -18.239 4.356 1.00 0.00 C ATOM 112 OE1 GLU A 7 -13.136 -18.143 4.505 1.00 0.00 O ATOM 113 OE2 GLU A 7 -15.044 -19.291 4.434 1.00 0.00 O ATOM 0 H GLU A 7 -16.040 -14.272 3.190 1.00 0.00 H new ATOM 0 HA GLU A 7 -13.601 -14.920 4.146 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -15.355 -16.174 2.049 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -13.780 -16.870 2.377 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -15.076 -16.274 4.904 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -16.193 -17.175 3.899 1.00 0.00 H new ATOM 120 N GLN A 8 -13.360 -14.054 0.981 1.00 0.00 N ATOM 121 CA GLN A 8 -12.425 -13.631 -0.048 1.00 0.00 C ATOM 122 C GLN A 8 -11.426 -12.623 0.524 1.00 0.00 C ATOM 123 O GLN A 8 -10.216 -12.803 0.397 1.00 0.00 O ATOM 124 CB GLN A 8 -13.164 -13.047 -1.254 1.00 0.00 C ATOM 125 CG GLN A 8 -12.350 -13.228 -2.536 1.00 0.00 C ATOM 126 CD GLN A 8 -13.111 -14.082 -3.553 1.00 0.00 C ATOM 127 OE1 GLN A 8 -12.715 -15.184 -3.895 1.00 0.00 O ATOM 128 NE2 GLN A 8 -14.221 -13.514 -4.014 1.00 0.00 N ATOM 0 H GLN A 8 -14.342 -14.011 0.709 1.00 0.00 H new ATOM 0 HA GLN A 8 -11.872 -14.506 -0.391 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -14.133 -13.535 -1.362 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -13.357 -11.987 -1.088 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -12.126 -12.253 -2.969 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -11.396 -13.699 -2.302 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -14.495 -12.588 -3.685 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -14.799 -14.004 -4.697 1.00 0.00 H new ATOM 137 N ILE A 9 -11.970 -11.584 1.141 1.00 0.00 N ATOM 138 CA ILE A 9 -11.142 -10.548 1.733 1.00 0.00 C ATOM 139 C ILE A 9 -10.030 -11.199 2.559 1.00 0.00 C ATOM 140 O ILE A 9 -8.868 -10.807 2.460 1.00 0.00 O ATOM 141 CB ILE A 9 -12.002 -9.563 2.527 1.00 0.00 C ATOM 142 CG1 ILE A 9 -11.575 -8.119 2.255 1.00 0.00 C ATOM 143 CG2 ILE A 9 -11.979 -9.896 4.020 1.00 0.00 C ATOM 144 CD1 ILE A 9 -12.420 -7.498 1.141 1.00 0.00 C ATOM 0 H ILE A 9 -12.974 -11.438 1.243 1.00 0.00 H new ATOM 0 HA ILE A 9 -10.658 -9.957 0.956 1.00 0.00 H new ATOM 0 HB ILE A 9 -13.034 -9.662 2.191 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -11.676 -7.528 3.165 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -10.522 -8.094 1.975 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -12.598 -9.181 4.562 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -12.368 -10.903 4.174 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -10.955 -9.842 4.389 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -12.096 -6.472 0.968 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -12.297 -8.077 0.226 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -13.470 -7.502 1.435 1.00 0.00 H new ATOM 156 N ALA A 10 -10.426 -12.181 3.354 1.00 0.00 N ATOM 157 CA ALA A 10 -9.478 -12.890 4.197 1.00 0.00 C ATOM 158 C ALA A 10 -8.181 -13.117 3.418 1.00 0.00 C ATOM 159 O ALA A 10 -7.091 -13.030 3.981 1.00 0.00 O ATOM 160 CB ALA A 10 -10.104 -14.199 4.681 1.00 0.00 C ATOM 0 H ALA A 10 -11.391 -12.503 3.433 1.00 0.00 H new ATOM 0 HA ALA A 10 -9.234 -12.300 5.080 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -9.393 -14.731 5.313 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -11.006 -13.981 5.253 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -10.360 -14.819 3.822 1.00 0.00 H new ATOM 166 N GLU A 11 -8.341 -13.405 2.135 1.00 0.00 N ATOM 167 CA GLU A 11 -7.197 -13.645 1.273 1.00 0.00 C ATOM 168 C GLU A 11 -6.454 -12.336 0.999 1.00 0.00 C ATOM 169 O GLU A 11 -5.232 -12.272 1.129 1.00 0.00 O ATOM 170 CB GLU A 11 -7.625 -14.315 -0.034 1.00 0.00 C ATOM 171 CG GLU A 11 -8.346 -15.637 0.238 1.00 0.00 C ATOM 172 CD GLU A 11 -8.889 -16.243 -1.057 1.00 0.00 C ATOM 173 OE1 GLU A 11 -8.090 -16.907 -1.752 1.00 0.00 O ATOM 174 OE2 GLU A 11 -10.092 -16.028 -1.324 1.00 0.00 O ATOM 0 H GLU A 11 -9.247 -13.478 1.671 1.00 0.00 H new ATOM 0 HA GLU A 11 -6.518 -14.325 1.787 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -8.281 -13.647 -0.591 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -6.750 -14.496 -0.658 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -7.660 -16.339 0.712 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -9.165 -15.471 0.937 1.00 0.00 H new ATOM 181 N PHE A 12 -7.222 -11.323 0.626 1.00 0.00 N ATOM 182 CA PHE A 12 -6.652 -10.019 0.334 1.00 0.00 C ATOM 183 C PHE A 12 -5.712 -9.568 1.453 1.00 0.00 C ATOM 184 O PHE A 12 -4.758 -8.830 1.207 1.00 0.00 O ATOM 185 CB PHE A 12 -7.818 -9.033 0.236 1.00 0.00 C ATOM 186 CG PHE A 12 -8.501 -9.010 -1.134 1.00 0.00 C ATOM 187 CD1 PHE A 12 -9.341 -10.018 -1.491 1.00 0.00 C ATOM 188 CD2 PHE A 12 -8.267 -7.982 -1.993 1.00 0.00 C ATOM 189 CE1 PHE A 12 -9.975 -9.997 -2.762 1.00 0.00 C ATOM 190 CE2 PHE A 12 -8.900 -7.961 -3.264 1.00 0.00 C ATOM 191 CZ PHE A 12 -9.741 -8.969 -3.622 1.00 0.00 C ATOM 0 H PHE A 12 -8.235 -11.379 0.519 1.00 0.00 H new ATOM 0 HA PHE A 12 -6.077 -10.063 -0.591 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -8.558 -9.285 0.995 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -7.454 -8.032 0.466 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -9.526 -10.834 -0.808 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -7.600 -7.182 -1.709 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -10.643 -10.797 -3.046 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -8.714 -7.145 -3.947 1.00 0.00 H new ATOM 0 HZ PHE A 12 -10.223 -8.953 -4.589 1.00 0.00 H new ATOM 201 N LYS A 13 -6.012 -10.031 2.657 1.00 0.00 N ATOM 202 CA LYS A 13 -5.205 -9.684 3.815 1.00 0.00 C ATOM 203 C LYS A 13 -3.723 -9.793 3.449 1.00 0.00 C ATOM 204 O LYS A 13 -2.967 -8.838 3.619 1.00 0.00 O ATOM 205 CB LYS A 13 -5.605 -10.536 5.021 1.00 0.00 C ATOM 206 CG LYS A 13 -6.956 -10.091 5.583 1.00 0.00 C ATOM 207 CD LYS A 13 -7.051 -10.387 7.081 1.00 0.00 C ATOM 208 CE LYS A 13 -7.830 -11.679 7.337 1.00 0.00 C ATOM 209 NZ LYS A 13 -7.442 -12.269 8.637 1.00 0.00 N ATOM 0 H LYS A 13 -6.803 -10.644 2.856 1.00 0.00 H new ATOM 0 HA LYS A 13 -5.386 -8.650 4.110 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -5.656 -11.585 4.729 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -4.842 -10.458 5.795 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -7.092 -9.023 5.410 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -7.760 -10.604 5.056 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -6.049 -10.473 7.503 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -7.541 -9.556 7.589 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -8.900 -11.473 7.329 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -7.637 -12.392 6.535 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -7.980 -13.145 8.795 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -6.424 -12.484 8.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -7.649 -11.593 9.400 1.00 0.00 H new ATOM 223 N GLU A 14 -3.353 -10.964 2.953 1.00 0.00 N ATOM 224 CA GLU A 14 -1.976 -11.210 2.561 1.00 0.00 C ATOM 225 C GLU A 14 -1.508 -10.144 1.569 1.00 0.00 C ATOM 226 O GLU A 14 -0.399 -9.624 1.687 1.00 0.00 O ATOM 227 CB GLU A 14 -1.814 -12.614 1.975 1.00 0.00 C ATOM 228 CG GLU A 14 -2.228 -13.682 2.989 1.00 0.00 C ATOM 229 CD GLU A 14 -1.448 -14.980 2.768 1.00 0.00 C ATOM 230 OE1 GLU A 14 -1.807 -15.703 1.813 1.00 0.00 O ATOM 231 OE2 GLU A 14 -0.509 -15.219 3.558 1.00 0.00 O ATOM 0 H GLU A 14 -3.983 -11.754 2.813 1.00 0.00 H new ATOM 0 HA GLU A 14 -1.350 -11.150 3.451 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -2.420 -12.708 1.074 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -0.777 -12.771 1.679 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -2.052 -13.316 4.000 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -3.297 -13.877 2.902 1.00 0.00 H new ATOM 238 N ALA A 15 -2.376 -9.850 0.612 1.00 0.00 N ATOM 239 CA ALA A 15 -2.066 -8.855 -0.400 1.00 0.00 C ATOM 240 C ALA A 15 -1.556 -7.583 0.280 1.00 0.00 C ATOM 241 O ALA A 15 -0.470 -7.099 -0.035 1.00 0.00 O ATOM 242 CB ALA A 15 -3.304 -8.599 -1.261 1.00 0.00 C ATOM 0 H ALA A 15 -3.294 -10.284 0.516 1.00 0.00 H new ATOM 0 HA ALA A 15 -1.277 -9.214 -1.061 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -3.071 -7.852 -2.020 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -3.608 -9.527 -1.746 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -4.116 -8.235 -0.632 1.00 0.00 H new ATOM 248 N PHE A 16 -2.364 -7.078 1.200 1.00 0.00 N ATOM 249 CA PHE A 16 -2.008 -5.871 1.928 1.00 0.00 C ATOM 250 C PHE A 16 -0.627 -6.007 2.573 1.00 0.00 C ATOM 251 O PHE A 16 0.098 -5.023 2.710 1.00 0.00 O ATOM 252 CB PHE A 16 -3.055 -5.687 3.028 1.00 0.00 C ATOM 253 CG PHE A 16 -2.899 -4.390 3.825 1.00 0.00 C ATOM 254 CD1 PHE A 16 -2.989 -3.189 3.194 1.00 0.00 C ATOM 255 CD2 PHE A 16 -2.669 -4.439 5.165 1.00 0.00 C ATOM 256 CE1 PHE A 16 -2.843 -1.986 3.934 1.00 0.00 C ATOM 257 CE2 PHE A 16 -2.524 -3.236 5.905 1.00 0.00 C ATOM 258 CZ PHE A 16 -2.614 -2.035 5.274 1.00 0.00 C ATOM 0 H PHE A 16 -3.264 -7.482 1.458 1.00 0.00 H new ATOM 0 HA PHE A 16 -1.979 -5.021 1.247 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -4.047 -5.708 2.578 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -2.999 -6.532 3.714 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -3.171 -3.150 2.130 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -2.597 -5.393 5.666 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -2.914 -1.032 3.433 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -2.342 -3.275 6.969 1.00 0.00 H new ATOM 0 HZ PHE A 16 -2.504 -1.120 5.837 1.00 0.00 H new ATOM 268 N SER A 17 -0.305 -7.235 2.952 1.00 0.00 N ATOM 269 CA SER A 17 0.976 -7.513 3.579 1.00 0.00 C ATOM 270 C SER A 17 2.115 -7.189 2.610 1.00 0.00 C ATOM 271 O SER A 17 3.042 -6.458 2.957 1.00 0.00 O ATOM 272 CB SER A 17 1.063 -8.972 4.032 1.00 0.00 C ATOM 273 OG SER A 17 1.544 -9.088 5.368 1.00 0.00 O ATOM 0 H SER A 17 -0.909 -8.049 2.837 1.00 0.00 H new ATOM 0 HA SER A 17 1.068 -6.881 4.462 1.00 0.00 H new ATOM 0 HB2 SER A 17 0.078 -9.433 3.960 1.00 0.00 H new ATOM 0 HB3 SER A 17 1.722 -9.522 3.360 1.00 0.00 H new ATOM 0 HG SER A 17 1.583 -10.034 5.620 1.00 0.00 H new ATOM 279 N LEU A 18 2.008 -7.748 1.414 1.00 0.00 N ATOM 280 CA LEU A 18 3.017 -7.528 0.392 1.00 0.00 C ATOM 281 C LEU A 18 3.525 -6.088 0.484 1.00 0.00 C ATOM 282 O LEU A 18 4.723 -5.857 0.639 1.00 0.00 O ATOM 283 CB LEU A 18 2.472 -7.901 -0.989 1.00 0.00 C ATOM 284 CG LEU A 18 3.083 -9.143 -1.639 1.00 0.00 C ATOM 285 CD1 LEU A 18 2.205 -10.374 -1.403 1.00 0.00 C ATOM 286 CD2 LEU A 18 3.353 -8.908 -3.126 1.00 0.00 C ATOM 0 H LEU A 18 1.238 -8.353 1.130 1.00 0.00 H new ATOM 0 HA LEU A 18 3.875 -8.180 0.557 1.00 0.00 H new ATOM 0 HB2 LEU A 18 1.396 -8.052 -0.904 1.00 0.00 H new ATOM 0 HB3 LEU A 18 2.623 -7.054 -1.658 1.00 0.00 H new ATOM 0 HG LEU A 18 4.045 -9.338 -1.165 1.00 0.00 H new ATOM 0 HD11 LEU A 18 2.662 -11.243 -1.876 1.00 0.00 H new ATOM 0 HD12 LEU A 18 2.108 -10.552 -0.332 1.00 0.00 H new ATOM 0 HD13 LEU A 18 1.218 -10.205 -1.833 1.00 0.00 H new ATOM 0 HD21 LEU A 18 3.787 -9.807 -3.563 1.00 0.00 H new ATOM 0 HD22 LEU A 18 2.417 -8.673 -3.633 1.00 0.00 H new ATOM 0 HD23 LEU A 18 4.047 -8.076 -3.243 1.00 0.00 H new ATOM 298 N PHE A 19 2.588 -5.157 0.386 1.00 0.00 N ATOM 299 CA PHE A 19 2.925 -3.745 0.457 1.00 0.00 C ATOM 300 C PHE A 19 3.345 -3.352 1.875 1.00 0.00 C ATOM 301 O PHE A 19 4.295 -2.591 2.056 1.00 0.00 O ATOM 302 CB PHE A 19 1.666 -2.964 0.076 1.00 0.00 C ATOM 303 CG PHE A 19 1.382 -2.937 -1.427 1.00 0.00 C ATOM 304 CD1 PHE A 19 0.685 -3.952 -2.006 1.00 0.00 C ATOM 305 CD2 PHE A 19 1.825 -1.898 -2.185 1.00 0.00 C ATOM 306 CE1 PHE A 19 0.421 -3.927 -3.401 1.00 0.00 C ATOM 307 CE2 PHE A 19 1.561 -1.873 -3.580 1.00 0.00 C ATOM 308 CZ PHE A 19 0.865 -2.888 -4.158 1.00 0.00 C ATOM 0 H PHE A 19 1.595 -5.353 0.258 1.00 0.00 H new ATOM 0 HA PHE A 19 3.757 -3.527 -0.213 1.00 0.00 H new ATOM 0 HB2 PHE A 19 0.810 -3.402 0.589 1.00 0.00 H new ATOM 0 HB3 PHE A 19 1.764 -1.940 0.435 1.00 0.00 H new ATOM 0 HD1 PHE A 19 0.332 -4.777 -1.404 1.00 0.00 H new ATOM 0 HD2 PHE A 19 2.378 -1.092 -1.726 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -0.132 -4.733 -3.861 1.00 0.00 H new ATOM 0 HE2 PHE A 19 1.913 -1.048 -4.182 1.00 0.00 H new ATOM 0 HZ PHE A 19 0.665 -2.869 -5.219 1.00 0.00 H new ATOM 318 N ASP A 20 2.618 -3.889 2.843 1.00 0.00 N ATOM 319 CA ASP A 20 2.903 -3.604 4.239 1.00 0.00 C ATOM 320 C ASP A 20 4.089 -4.455 4.697 1.00 0.00 C ATOM 321 O ASP A 20 3.918 -5.613 5.074 1.00 0.00 O ATOM 322 CB ASP A 20 1.705 -3.946 5.127 1.00 0.00 C ATOM 323 CG ASP A 20 2.033 -4.141 6.609 1.00 0.00 C ATOM 324 OD1 ASP A 20 2.753 -3.274 7.149 1.00 0.00 O ATOM 325 OD2 ASP A 20 1.556 -5.152 7.167 1.00 0.00 O ATOM 0 H ASP A 20 1.832 -4.520 2.688 1.00 0.00 H new ATOM 0 HA ASP A 20 3.125 -2.541 4.327 1.00 0.00 H new ATOM 0 HB2 ASP A 20 0.965 -3.151 5.036 1.00 0.00 H new ATOM 0 HB3 ASP A 20 1.241 -4.857 4.750 1.00 0.00 H new ATOM 330 N LYS A 21 5.266 -3.847 4.648 1.00 0.00 N ATOM 331 CA LYS A 21 6.480 -4.535 5.054 1.00 0.00 C ATOM 332 C LYS A 21 6.750 -4.255 6.533 1.00 0.00 C ATOM 333 O LYS A 21 7.874 -4.421 7.005 1.00 0.00 O ATOM 334 CB LYS A 21 7.643 -4.155 4.134 1.00 0.00 C ATOM 335 CG LYS A 21 8.118 -5.363 3.324 1.00 0.00 C ATOM 336 CD LYS A 21 9.337 -6.017 3.978 1.00 0.00 C ATOM 337 CE LYS A 21 9.194 -7.540 4.004 1.00 0.00 C ATOM 338 NZ LYS A 21 9.279 -8.045 5.393 1.00 0.00 N ATOM 0 H LYS A 21 5.404 -2.887 4.334 1.00 0.00 H new ATOM 0 HA LYS A 21 6.360 -5.613 4.951 1.00 0.00 H new ATOM 0 HB2 LYS A 21 7.331 -3.359 3.458 1.00 0.00 H new ATOM 0 HB3 LYS A 21 8.469 -3.764 4.728 1.00 0.00 H new ATOM 0 HG2 LYS A 21 7.311 -6.091 3.242 1.00 0.00 H new ATOM 0 HG3 LYS A 21 8.369 -5.050 2.311 1.00 0.00 H new ATOM 0 HD2 LYS A 21 10.239 -5.742 3.431 1.00 0.00 H new ATOM 0 HD3 LYS A 21 9.454 -5.642 4.995 1.00 0.00 H new ATOM 0 HE2 LYS A 21 8.240 -7.829 3.563 1.00 0.00 H new ATOM 0 HE3 LYS A 21 9.976 -7.995 3.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 9.180 -9.080 5.393 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 10.200 -7.785 5.801 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 8.517 -7.625 5.962 1.00 0.00 H new ATOM 352 N ASP A 22 5.700 -3.836 7.224 1.00 0.00 N ATOM 353 CA ASP A 22 5.810 -3.532 8.641 1.00 0.00 C ATOM 354 C ASP A 22 4.970 -4.531 9.439 1.00 0.00 C ATOM 355 O ASP A 22 5.187 -4.714 10.636 1.00 0.00 O ATOM 356 CB ASP A 22 5.287 -2.126 8.945 1.00 0.00 C ATOM 357 CG ASP A 22 6.369 -1.061 9.137 1.00 0.00 C ATOM 358 OD1 ASP A 22 7.555 -1.454 9.149 1.00 0.00 O ATOM 359 OD2 ASP A 22 5.984 0.121 9.267 1.00 0.00 O ATOM 0 H ASP A 22 4.769 -3.700 6.829 1.00 0.00 H new ATOM 0 HA ASP A 22 6.862 -3.593 8.918 1.00 0.00 H new ATOM 0 HB2 ASP A 22 4.632 -1.814 8.131 1.00 0.00 H new ATOM 0 HB3 ASP A 22 4.676 -2.169 9.847 1.00 0.00 H new ATOM 364 N GLY A 23 4.028 -5.152 8.744 1.00 0.00 N ATOM 365 CA GLY A 23 3.154 -6.128 9.373 1.00 0.00 C ATOM 366 C GLY A 23 2.403 -5.511 10.554 1.00 0.00 C ATOM 367 O GLY A 23 1.853 -6.228 11.388 1.00 0.00 O ATOM 0 H GLY A 23 3.851 -4.998 7.751 1.00 0.00 H new ATOM 0 HA2 GLY A 23 2.440 -6.507 8.642 1.00 0.00 H new ATOM 0 HA3 GLY A 23 3.741 -6.980 9.716 1.00 0.00 H new ATOM 371 N ASP A 24 2.404 -4.186 10.588 1.00 0.00 N ATOM 372 CA ASP A 24 1.729 -3.464 11.653 1.00 0.00 C ATOM 373 C ASP A 24 0.236 -3.367 11.331 1.00 0.00 C ATOM 374 O ASP A 24 -0.597 -3.343 12.236 1.00 0.00 O ATOM 375 CB ASP A 24 2.277 -2.042 11.788 1.00 0.00 C ATOM 376 CG ASP A 24 2.270 -1.221 10.496 1.00 0.00 C ATOM 377 OD1 ASP A 24 1.808 -1.775 9.475 1.00 0.00 O ATOM 378 OD2 ASP A 24 2.726 -0.059 10.560 1.00 0.00 O ATOM 0 H ASP A 24 2.862 -3.594 9.895 1.00 0.00 H new ATOM 0 HA ASP A 24 1.896 -4.004 12.585 1.00 0.00 H new ATOM 0 HB2 ASP A 24 1.692 -1.513 12.540 1.00 0.00 H new ATOM 0 HB3 ASP A 24 3.300 -2.097 12.161 1.00 0.00 H new ATOM 383 N GLY A 25 -0.056 -3.314 10.040 1.00 0.00 N ATOM 384 CA GLY A 25 -1.434 -3.220 9.588 1.00 0.00 C ATOM 385 C GLY A 25 -1.675 -1.912 8.832 1.00 0.00 C ATOM 386 O GLY A 25 -2.819 -1.501 8.643 1.00 0.00 O ATOM 0 H GLY A 25 0.638 -3.334 9.293 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -1.667 -4.066 8.941 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -2.106 -3.279 10.444 1.00 0.00 H new ATOM 390 N THR A 26 -0.578 -1.293 8.419 1.00 0.00 N ATOM 391 CA THR A 26 -0.656 -0.040 7.688 1.00 0.00 C ATOM 392 C THR A 26 0.385 -0.012 6.567 1.00 0.00 C ATOM 393 O THR A 26 1.427 -0.657 6.666 1.00 0.00 O ATOM 394 CB THR A 26 -0.498 1.104 8.692 1.00 0.00 C ATOM 395 OG1 THR A 26 0.555 0.671 9.549 1.00 0.00 O ATOM 396 CG2 THR A 26 -1.706 1.236 9.622 1.00 0.00 C ATOM 0 H THR A 26 0.369 -1.636 8.577 1.00 0.00 H new ATOM 0 HA THR A 26 -1.622 0.071 7.196 1.00 0.00 H new ATOM 0 HB THR A 26 -0.349 2.041 8.155 1.00 0.00 H new ATOM 0 HG1 THR A 26 1.416 0.798 9.099 1.00 0.00 H new ATOM 0 HG21 THR A 26 -1.543 2.062 10.315 1.00 0.00 H new ATOM 0 HG22 THR A 26 -2.601 1.429 9.031 1.00 0.00 H new ATOM 0 HG23 THR A 26 -1.835 0.311 10.184 1.00 0.00 H new ATOM 404 N ILE A 27 0.066 0.743 5.525 1.00 0.00 N ATOM 405 CA ILE A 27 0.960 0.864 4.386 1.00 0.00 C ATOM 406 C ILE A 27 1.314 2.337 4.176 1.00 0.00 C ATOM 407 O ILE A 27 0.511 3.103 3.645 1.00 0.00 O ATOM 408 CB ILE A 27 0.349 0.196 3.153 1.00 0.00 C ATOM 409 CG1 ILE A 27 0.058 -1.283 3.418 1.00 0.00 C ATOM 410 CG2 ILE A 27 1.240 0.393 1.925 1.00 0.00 C ATOM 411 CD1 ILE A 27 -0.605 -1.937 2.203 1.00 0.00 C ATOM 0 H ILE A 27 -0.799 1.277 5.446 1.00 0.00 H new ATOM 0 HA ILE A 27 1.894 0.336 4.576 1.00 0.00 H new ATOM 0 HB ILE A 27 -0.605 0.679 2.940 1.00 0.00 H new ATOM 0 HG12 ILE A 27 0.986 -1.803 3.655 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -0.592 -1.379 4.288 1.00 0.00 H new ATOM 0 HG21 ILE A 27 0.783 -0.092 1.062 1.00 0.00 H new ATOM 0 HG22 ILE A 27 1.354 1.458 1.725 1.00 0.00 H new ATOM 0 HG23 ILE A 27 2.219 -0.047 2.112 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -0.801 -2.988 2.417 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -1.545 -1.430 1.984 1.00 0.00 H new ATOM 0 HD13 ILE A 27 0.058 -1.860 1.341 1.00 0.00 H new ATOM 423 N THR A 28 2.518 2.690 4.603 1.00 0.00 N ATOM 424 CA THR A 28 2.988 4.058 4.468 1.00 0.00 C ATOM 425 C THR A 28 3.475 4.316 3.041 1.00 0.00 C ATOM 426 O THR A 28 3.035 3.655 2.102 1.00 0.00 O ATOM 427 CB THR A 28 4.064 4.295 5.529 1.00 0.00 C ATOM 428 OG1 THR A 28 4.439 5.657 5.346 1.00 0.00 O ATOM 429 CG2 THR A 28 5.349 3.514 5.245 1.00 0.00 C ATOM 0 H THR A 28 3.182 2.052 5.043 1.00 0.00 H new ATOM 0 HA THR A 28 2.182 4.772 4.637 1.00 0.00 H new ATOM 0 HB THR A 28 3.676 4.013 6.508 1.00 0.00 H new ATOM 0 HG1 THR A 28 5.416 5.731 5.352 1.00 0.00 H new ATOM 0 HG21 THR A 28 6.079 3.718 6.028 1.00 0.00 H new ATOM 0 HG22 THR A 28 5.129 2.447 5.223 1.00 0.00 H new ATOM 0 HG23 THR A 28 5.755 3.820 4.281 1.00 0.00 H new ATOM 437 N THR A 29 4.378 5.279 2.922 1.00 0.00 N ATOM 438 CA THR A 29 4.929 5.633 1.626 1.00 0.00 C ATOM 439 C THR A 29 6.033 4.650 1.230 1.00 0.00 C ATOM 440 O THR A 29 5.916 3.952 0.224 1.00 0.00 O ATOM 441 CB THR A 29 5.405 7.085 1.694 1.00 0.00 C ATOM 442 OG1 THR A 29 6.047 7.181 2.962 1.00 0.00 O ATOM 443 CG2 THR A 29 4.244 8.077 1.789 1.00 0.00 C ATOM 0 H THR A 29 4.742 5.825 3.703 1.00 0.00 H new ATOM 0 HA THR A 29 4.175 5.560 0.843 1.00 0.00 H new ATOM 0 HB THR A 29 6.006 7.312 0.813 1.00 0.00 H new ATOM 0 HG1 THR A 29 6.388 8.091 3.088 1.00 0.00 H new ATOM 0 HG21 THR A 29 4.636 9.093 1.835 1.00 0.00 H new ATOM 0 HG22 THR A 29 3.605 7.974 0.912 1.00 0.00 H new ATOM 0 HG23 THR A 29 3.663 7.872 2.688 1.00 0.00 H new ATOM 451 N LYS A 30 7.080 4.627 2.042 1.00 0.00 N ATOM 452 CA LYS A 30 8.204 3.742 1.789 1.00 0.00 C ATOM 453 C LYS A 30 7.681 2.340 1.469 1.00 0.00 C ATOM 454 O LYS A 30 7.986 1.786 0.414 1.00 0.00 O ATOM 455 CB LYS A 30 9.189 3.778 2.959 1.00 0.00 C ATOM 456 CG LYS A 30 10.611 3.465 2.490 1.00 0.00 C ATOM 457 CD LYS A 30 11.635 3.810 3.573 1.00 0.00 C ATOM 458 CE LYS A 30 12.713 2.730 3.672 1.00 0.00 C ATOM 459 NZ LYS A 30 12.180 1.527 4.350 1.00 0.00 N ATOM 0 H LYS A 30 7.173 5.207 2.876 1.00 0.00 H new ATOM 0 HA LYS A 30 8.766 4.080 0.919 1.00 0.00 H new ATOM 0 HB2 LYS A 30 9.166 4.762 3.428 1.00 0.00 H new ATOM 0 HB3 LYS A 30 8.885 3.056 3.717 1.00 0.00 H new ATOM 0 HG2 LYS A 30 10.689 2.408 2.235 1.00 0.00 H new ATOM 0 HG3 LYS A 30 10.831 4.029 1.584 1.00 0.00 H new ATOM 0 HD2 LYS A 30 12.098 4.771 3.348 1.00 0.00 H new ATOM 0 HD3 LYS A 30 11.132 3.916 4.534 1.00 0.00 H new ATOM 0 HE2 LYS A 30 13.065 2.467 2.675 1.00 0.00 H new ATOM 0 HE3 LYS A 30 13.572 3.114 4.222 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 12.961 0.873 4.561 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 11.713 1.806 5.236 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 11.491 1.055 3.730 1.00 0.00 H new ATOM 473 N GLU A 31 6.903 1.806 2.399 1.00 0.00 N ATOM 474 CA GLU A 31 6.335 0.480 2.229 1.00 0.00 C ATOM 475 C GLU A 31 5.658 0.364 0.862 1.00 0.00 C ATOM 476 O GLU A 31 5.589 -0.723 0.289 1.00 0.00 O ATOM 477 CB GLU A 31 5.354 0.155 3.356 1.00 0.00 C ATOM 478 CG GLU A 31 6.052 0.184 4.717 1.00 0.00 C ATOM 479 CD GLU A 31 5.046 -0.006 5.854 1.00 0.00 C ATOM 480 OE1 GLU A 31 4.059 -0.736 5.622 1.00 0.00 O ATOM 481 OE2 GLU A 31 5.288 0.584 6.930 1.00 0.00 O ATOM 0 H GLU A 31 6.653 2.268 3.273 1.00 0.00 H new ATOM 0 HA GLU A 31 7.144 -0.249 2.275 1.00 0.00 H new ATOM 0 HB2 GLU A 31 4.535 0.874 3.348 1.00 0.00 H new ATOM 0 HB3 GLU A 31 4.916 -0.829 3.189 1.00 0.00 H new ATOM 0 HG2 GLU A 31 6.807 -0.601 4.759 1.00 0.00 H new ATOM 0 HG3 GLU A 31 6.573 1.133 4.842 1.00 0.00 H new ATOM 488 N LEU A 32 5.175 1.498 0.378 1.00 0.00 N ATOM 489 CA LEU A 32 4.506 1.538 -0.911 1.00 0.00 C ATOM 490 C LEU A 32 5.554 1.614 -2.023 1.00 0.00 C ATOM 491 O LEU A 32 5.402 0.983 -3.069 1.00 0.00 O ATOM 492 CB LEU A 32 3.484 2.676 -0.950 1.00 0.00 C ATOM 493 CG LEU A 32 2.222 2.417 -1.776 1.00 0.00 C ATOM 494 CD1 LEU A 32 1.099 1.858 -0.900 1.00 0.00 C ATOM 495 CD2 LEU A 32 1.790 3.678 -2.527 1.00 0.00 C ATOM 0 H LEU A 32 5.234 2.397 0.856 1.00 0.00 H new ATOM 0 HA LEU A 32 3.936 0.623 -1.072 1.00 0.00 H new ATOM 0 HB2 LEU A 32 3.184 2.904 0.073 1.00 0.00 H new ATOM 0 HB3 LEU A 32 3.976 3.566 -1.344 1.00 0.00 H new ATOM 0 HG LEU A 32 2.453 1.660 -2.525 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.214 1.683 -1.511 1.00 0.00 H new ATOM 0 HD12 LEU A 32 1.421 0.919 -0.451 1.00 0.00 H new ATOM 0 HD13 LEU A 32 0.861 2.574 -0.113 1.00 0.00 H new ATOM 0 HD21 LEU A 32 0.891 3.467 -3.106 1.00 0.00 H new ATOM 0 HD22 LEU A 32 1.582 4.474 -1.812 1.00 0.00 H new ATOM 0 HD23 LEU A 32 2.589 3.993 -3.199 1.00 0.00 H new ATOM 507 N GLY A 33 6.594 2.392 -1.760 1.00 0.00 N ATOM 508 CA GLY A 33 7.667 2.559 -2.726 1.00 0.00 C ATOM 509 C GLY A 33 8.636 1.376 -2.678 1.00 0.00 C ATOM 510 O GLY A 33 9.692 1.408 -3.309 1.00 0.00 O ATOM 0 H GLY A 33 6.716 2.914 -0.892 1.00 0.00 H new ATOM 0 HA2 GLY A 33 7.248 2.650 -3.728 1.00 0.00 H new ATOM 0 HA3 GLY A 33 8.206 3.484 -2.520 1.00 0.00 H new ATOM 514 N THR A 34 8.243 0.360 -1.924 1.00 0.00 N ATOM 515 CA THR A 34 9.064 -0.831 -1.785 1.00 0.00 C ATOM 516 C THR A 34 8.607 -1.911 -2.768 1.00 0.00 C ATOM 517 O THR A 34 9.320 -2.233 -3.718 1.00 0.00 O ATOM 518 CB THR A 34 9.008 -1.277 -0.323 1.00 0.00 C ATOM 519 OG1 THR A 34 10.242 -0.823 0.226 1.00 0.00 O ATOM 520 CG2 THR A 34 9.070 -2.798 -0.172 1.00 0.00 C ATOM 0 H THR A 34 7.367 0.337 -1.403 1.00 0.00 H new ATOM 0 HA THR A 34 10.104 -0.625 -2.037 1.00 0.00 H new ATOM 0 HB THR A 34 8.092 -0.904 0.135 1.00 0.00 H new ATOM 0 HG1 THR A 34 10.289 -1.069 1.173 1.00 0.00 H new ATOM 0 HG21 THR A 34 9.027 -3.061 0.885 1.00 0.00 H new ATOM 0 HG22 THR A 34 8.226 -3.250 -0.693 1.00 0.00 H new ATOM 0 HG23 THR A 34 10.001 -3.168 -0.600 1.00 0.00 H new ATOM 528 N VAL A 35 7.422 -2.441 -2.506 1.00 0.00 N ATOM 529 CA VAL A 35 6.861 -3.478 -3.355 1.00 0.00 C ATOM 530 C VAL A 35 7.037 -3.080 -4.822 1.00 0.00 C ATOM 531 O VAL A 35 7.194 -3.940 -5.688 1.00 0.00 O ATOM 532 CB VAL A 35 5.401 -3.733 -2.976 1.00 0.00 C ATOM 533 CG1 VAL A 35 4.592 -4.196 -4.189 1.00 0.00 C ATOM 534 CG2 VAL A 35 5.300 -4.743 -1.831 1.00 0.00 C ATOM 0 H VAL A 35 6.834 -2.172 -1.717 1.00 0.00 H new ATOM 0 HA VAL A 35 7.390 -4.420 -3.207 1.00 0.00 H new ATOM 0 HB VAL A 35 4.976 -2.791 -2.630 1.00 0.00 H new ATOM 0 HG11 VAL A 35 3.558 -4.370 -3.892 1.00 0.00 H new ATOM 0 HG12 VAL A 35 4.623 -3.428 -4.962 1.00 0.00 H new ATOM 0 HG13 VAL A 35 5.018 -5.120 -4.579 1.00 0.00 H new ATOM 0 HG21 VAL A 35 4.252 -4.906 -1.581 1.00 0.00 H new ATOM 0 HG22 VAL A 35 5.751 -5.687 -2.137 1.00 0.00 H new ATOM 0 HG23 VAL A 35 5.825 -4.357 -0.958 1.00 0.00 H new ATOM 544 N MET A 36 7.005 -1.777 -5.056 1.00 0.00 N ATOM 545 CA MET A 36 7.159 -1.254 -6.403 1.00 0.00 C ATOM 546 C MET A 36 8.392 -1.850 -7.085 1.00 0.00 C ATOM 547 O MET A 36 8.415 -2.010 -8.305 1.00 0.00 O ATOM 548 CB MET A 36 7.291 0.269 -6.349 1.00 0.00 C ATOM 549 CG MET A 36 5.987 0.916 -5.879 1.00 0.00 C ATOM 550 SD MET A 36 5.255 1.850 -7.212 1.00 0.00 S ATOM 551 CE MET A 36 3.552 1.338 -7.051 1.00 0.00 C ATOM 0 H MET A 36 6.875 -1.067 -4.335 1.00 0.00 H new ATOM 0 HA MET A 36 6.278 -1.530 -6.982 1.00 0.00 H new ATOM 0 HB2 MET A 36 8.101 0.544 -5.674 1.00 0.00 H new ATOM 0 HB3 MET A 36 7.555 0.650 -7.336 1.00 0.00 H new ATOM 0 HG2 MET A 36 5.293 0.148 -5.538 1.00 0.00 H new ATOM 0 HG3 MET A 36 6.182 1.570 -5.029 1.00 0.00 H new ATOM 0 HE1 MET A 36 2.950 1.832 -7.814 1.00 0.00 H new ATOM 0 HE2 MET A 36 3.483 0.258 -7.178 1.00 0.00 H new ATOM 0 HE3 MET A 36 3.182 1.612 -6.063 1.00 0.00 H new ATOM 561 N ARG A 37 9.387 -2.163 -6.268 1.00 0.00 N ATOM 562 CA ARG A 37 10.621 -2.738 -6.777 1.00 0.00 C ATOM 563 C ARG A 37 10.327 -4.024 -7.552 1.00 0.00 C ATOM 564 O ARG A 37 11.049 -4.368 -8.487 1.00 0.00 O ATOM 565 CB ARG A 37 11.595 -3.048 -5.638 1.00 0.00 C ATOM 566 CG ARG A 37 11.157 -4.294 -4.866 1.00 0.00 C ATOM 567 CD ARG A 37 11.532 -4.183 -3.387 1.00 0.00 C ATOM 568 NE ARG A 37 10.473 -4.787 -2.549 1.00 0.00 N ATOM 569 CZ ARG A 37 10.687 -5.330 -1.343 1.00 0.00 C ATOM 570 NH1 ARG A 37 11.924 -5.347 -0.826 1.00 0.00 N ATOM 571 NH2 ARG A 37 9.666 -5.855 -0.653 1.00 0.00 N ATOM 0 H ARG A 37 9.364 -2.029 -5.257 1.00 0.00 H new ATOM 0 HA ARG A 37 11.079 -2.006 -7.442 1.00 0.00 H new ATOM 0 HB2 ARG A 37 12.596 -3.199 -6.042 1.00 0.00 H new ATOM 0 HB3 ARG A 37 11.650 -2.196 -4.960 1.00 0.00 H new ATOM 0 HG2 ARG A 37 10.079 -4.426 -4.963 1.00 0.00 H new ATOM 0 HG3 ARG A 37 11.626 -5.178 -5.298 1.00 0.00 H new ATOM 0 HD2 ARG A 37 12.482 -4.686 -3.206 1.00 0.00 H new ATOM 0 HD3 ARG A 37 11.669 -3.136 -3.116 1.00 0.00 H new ATOM 0 HE ARG A 37 9.520 -4.790 -2.912 1.00 0.00 H new ATOM 0 HH11 ARG A 37 12.702 -4.947 -1.351 1.00 0.00 H new ATOM 0 HH12 ARG A 37 12.087 -5.760 0.092 1.00 0.00 H new ATOM 0 HH21 ARG A 37 8.725 -5.842 -1.046 1.00 0.00 H new ATOM 0 HH22 ARG A 37 9.830 -6.268 0.265 1.00 0.00 H new ATOM 585 N SER A 38 9.266 -4.699 -7.135 1.00 0.00 N ATOM 586 CA SER A 38 8.868 -5.940 -7.778 1.00 0.00 C ATOM 587 C SER A 38 8.386 -5.659 -9.203 1.00 0.00 C ATOM 588 O SER A 38 8.679 -6.421 -10.123 1.00 0.00 O ATOM 589 CB SER A 38 7.775 -6.649 -6.977 1.00 0.00 C ATOM 590 OG SER A 38 8.247 -7.100 -5.711 1.00 0.00 O ATOM 0 H SER A 38 8.670 -4.410 -6.360 1.00 0.00 H new ATOM 0 HA SER A 38 9.735 -6.599 -7.818 1.00 0.00 H new ATOM 0 HB2 SER A 38 6.935 -5.970 -6.830 1.00 0.00 H new ATOM 0 HB3 SER A 38 7.401 -7.499 -7.548 1.00 0.00 H new ATOM 0 HG SER A 38 7.519 -7.546 -5.230 1.00 0.00 H new ATOM 596 N LEU A 39 7.654 -4.563 -9.340 1.00 0.00 N ATOM 597 CA LEU A 39 7.128 -4.172 -10.637 1.00 0.00 C ATOM 598 C LEU A 39 8.227 -3.470 -11.438 1.00 0.00 C ATOM 599 O LEU A 39 8.086 -3.263 -12.642 1.00 0.00 O ATOM 600 CB LEU A 39 5.858 -3.335 -10.470 1.00 0.00 C ATOM 601 CG LEU A 39 4.563 -3.973 -10.975 1.00 0.00 C ATOM 602 CD1 LEU A 39 4.086 -5.073 -10.024 1.00 0.00 C ATOM 603 CD2 LEU A 39 3.485 -2.913 -11.212 1.00 0.00 C ATOM 0 H LEU A 39 7.413 -3.934 -8.574 1.00 0.00 H new ATOM 0 HA LEU A 39 6.830 -5.051 -11.208 1.00 0.00 H new ATOM 0 HB2 LEU A 39 5.737 -3.102 -9.412 1.00 0.00 H new ATOM 0 HB3 LEU A 39 6.000 -2.388 -10.990 1.00 0.00 H new ATOM 0 HG LEU A 39 4.767 -4.445 -11.936 1.00 0.00 H new ATOM 0 HD11 LEU A 39 3.164 -5.510 -10.407 1.00 0.00 H new ATOM 0 HD12 LEU A 39 4.850 -5.846 -9.950 1.00 0.00 H new ATOM 0 HD13 LEU A 39 3.904 -4.647 -9.037 1.00 0.00 H new ATOM 0 HD21 LEU A 39 2.575 -3.394 -11.571 1.00 0.00 H new ATOM 0 HD22 LEU A 39 3.276 -2.391 -10.278 1.00 0.00 H new ATOM 0 HD23 LEU A 39 3.835 -2.198 -11.956 1.00 0.00 H new ATOM 615 N GLY A 40 9.296 -3.123 -10.736 1.00 0.00 N ATOM 616 CA GLY A 40 10.418 -2.449 -11.367 1.00 0.00 C ATOM 617 C GLY A 40 10.251 -0.929 -11.302 1.00 0.00 C ATOM 618 O GLY A 40 10.841 -0.202 -12.100 1.00 0.00 O ATOM 0 H GLY A 40 9.409 -3.296 -9.737 1.00 0.00 H new ATOM 0 HA2 GLY A 40 11.345 -2.738 -10.873 1.00 0.00 H new ATOM 0 HA3 GLY A 40 10.499 -2.766 -12.407 1.00 0.00 H new ATOM 622 N GLN A 41 9.444 -0.495 -10.345 1.00 0.00 N ATOM 623 CA GLN A 41 9.192 0.925 -10.166 1.00 0.00 C ATOM 624 C GLN A 41 9.887 1.432 -8.901 1.00 0.00 C ATOM 625 O GLN A 41 10.492 0.653 -8.166 1.00 0.00 O ATOM 626 CB GLN A 41 7.690 1.214 -10.121 1.00 0.00 C ATOM 627 CG GLN A 41 7.053 1.020 -11.498 1.00 0.00 C ATOM 628 CD GLN A 41 5.609 0.528 -11.369 1.00 0.00 C ATOM 629 OE1 GLN A 41 5.165 -0.364 -12.073 1.00 0.00 O ATOM 630 NE2 GLN A 41 4.904 1.159 -10.434 1.00 0.00 N ATOM 0 H GLN A 41 8.956 -1.101 -9.686 1.00 0.00 H new ATOM 0 HA GLN A 41 9.605 1.458 -11.022 1.00 0.00 H new ATOM 0 HB2 GLN A 41 7.211 0.554 -9.398 1.00 0.00 H new ATOM 0 HB3 GLN A 41 7.523 2.236 -9.780 1.00 0.00 H new ATOM 0 HG2 GLN A 41 7.073 1.961 -12.048 1.00 0.00 H new ATOM 0 HG3 GLN A 41 7.636 0.302 -12.075 1.00 0.00 H new ATOM 0 HE21 GLN A 41 5.338 1.897 -9.880 1.00 0.00 H new ATOM 0 HE22 GLN A 41 3.930 0.905 -10.271 1.00 0.00 H new ATOM 639 N ASN A 42 9.776 2.735 -8.685 1.00 0.00 N ATOM 640 CA ASN A 42 10.386 3.355 -7.521 1.00 0.00 C ATOM 641 C ASN A 42 10.151 4.866 -7.572 1.00 0.00 C ATOM 642 O ASN A 42 11.079 5.633 -7.825 1.00 0.00 O ATOM 643 CB ASN A 42 11.896 3.111 -7.495 1.00 0.00 C ATOM 644 CG ASN A 42 12.447 3.236 -6.073 1.00 0.00 C ATOM 645 OD1 ASN A 42 11.788 2.924 -5.094 1.00 0.00 O ATOM 646 ND2 ASN A 42 13.689 3.707 -6.013 1.00 0.00 N ATOM 0 H ASN A 42 9.273 3.378 -9.296 1.00 0.00 H new ATOM 0 HA ASN A 42 9.935 2.918 -6.630 1.00 0.00 H new ATOM 0 HB2 ASN A 42 12.114 2.118 -7.887 1.00 0.00 H new ATOM 0 HB3 ASN A 42 12.395 3.828 -8.147 1.00 0.00 H new ATOM 0 HD21 ASN A 42 14.146 3.826 -5.109 1.00 0.00 H new ATOM 0 HD22 ASN A 42 14.185 3.949 -6.871 1.00 0.00 H new ATOM 653 N PRO A 43 8.874 5.258 -7.321 1.00 0.00 N ATOM 654 CA PRO A 43 8.506 6.664 -7.336 1.00 0.00 C ATOM 655 C PRO A 43 9.008 7.375 -6.078 1.00 0.00 C ATOM 656 O PRO A 43 9.413 6.727 -5.114 1.00 0.00 O ATOM 657 CB PRO A 43 6.991 6.672 -7.458 1.00 0.00 C ATOM 658 CG PRO A 43 6.531 5.285 -7.041 1.00 0.00 C ATOM 659 CD PRO A 43 7.749 4.377 -7.018 1.00 0.00 C ATOM 0 HA PRO A 43 8.962 7.210 -8.162 1.00 0.00 H new ATOM 0 HB2 PRO A 43 6.552 7.438 -6.818 1.00 0.00 H new ATOM 0 HB3 PRO A 43 6.683 6.895 -8.479 1.00 0.00 H new ATOM 0 HG2 PRO A 43 6.061 5.318 -6.058 1.00 0.00 H new ATOM 0 HG3 PRO A 43 5.785 4.905 -7.738 1.00 0.00 H new ATOM 0 HD2 PRO A 43 7.870 3.901 -6.045 1.00 0.00 H new ATOM 0 HD3 PRO A 43 7.662 3.579 -7.755 1.00 0.00 H new ATOM 667 N THR A 44 8.965 8.698 -6.128 1.00 0.00 N ATOM 668 CA THR A 44 9.410 9.505 -5.005 1.00 0.00 C ATOM 669 C THR A 44 8.358 9.500 -3.894 1.00 0.00 C ATOM 670 O THR A 44 7.267 8.960 -4.070 1.00 0.00 O ATOM 671 CB THR A 44 9.735 10.906 -5.527 1.00 0.00 C ATOM 672 OG1 THR A 44 8.462 11.531 -5.659 1.00 0.00 O ATOM 673 CG2 THR A 44 10.289 10.884 -6.953 1.00 0.00 C ATOM 0 H THR A 44 8.628 9.232 -6.929 1.00 0.00 H new ATOM 0 HA THR A 44 10.314 9.092 -4.556 1.00 0.00 H new ATOM 0 HB THR A 44 10.457 11.383 -4.864 1.00 0.00 H new ATOM 0 HG1 THR A 44 8.563 12.380 -6.138 1.00 0.00 H new ATOM 0 HG21 THR A 44 10.503 11.903 -7.276 1.00 0.00 H new ATOM 0 HG22 THR A 44 11.206 10.295 -6.978 1.00 0.00 H new ATOM 0 HG23 THR A 44 9.553 10.438 -7.622 1.00 0.00 H new ATOM 681 N GLU A 45 8.723 10.107 -2.774 1.00 0.00 N ATOM 682 CA GLU A 45 7.824 10.179 -1.635 1.00 0.00 C ATOM 683 C GLU A 45 6.676 11.148 -1.925 1.00 0.00 C ATOM 684 O GLU A 45 5.702 11.206 -1.176 1.00 0.00 O ATOM 685 CB GLU A 45 8.577 10.586 -0.367 1.00 0.00 C ATOM 686 CG GLU A 45 8.312 9.596 0.769 1.00 0.00 C ATOM 687 CD GLU A 45 8.752 10.177 2.115 1.00 0.00 C ATOM 688 OE1 GLU A 45 9.970 10.418 2.258 1.00 0.00 O ATOM 689 OE2 GLU A 45 7.860 10.366 2.970 1.00 0.00 O ATOM 0 H GLU A 45 9.629 10.553 -2.631 1.00 0.00 H new ATOM 0 HA GLU A 45 7.403 9.188 -1.466 1.00 0.00 H new ATOM 0 HB2 GLU A 45 9.646 10.631 -0.573 1.00 0.00 H new ATOM 0 HB3 GLU A 45 8.269 11.586 -0.062 1.00 0.00 H new ATOM 0 HG2 GLU A 45 7.250 9.352 0.804 1.00 0.00 H new ATOM 0 HG3 GLU A 45 8.847 8.666 0.578 1.00 0.00 H new ATOM 696 N ALA A 46 6.828 11.886 -3.015 1.00 0.00 N ATOM 697 CA ALA A 46 5.816 12.850 -3.414 1.00 0.00 C ATOM 698 C ALA A 46 4.669 12.119 -4.114 1.00 0.00 C ATOM 699 O ALA A 46 3.511 12.258 -3.725 1.00 0.00 O ATOM 700 CB ALA A 46 6.453 13.921 -4.302 1.00 0.00 C ATOM 0 H ALA A 46 7.637 11.836 -3.634 1.00 0.00 H new ATOM 0 HA ALA A 46 5.401 13.354 -2.541 1.00 0.00 H new ATOM 0 HB1 ALA A 46 5.694 14.644 -4.601 1.00 0.00 H new ATOM 0 HB2 ALA A 46 7.242 14.431 -3.748 1.00 0.00 H new ATOM 0 HB3 ALA A 46 6.878 13.452 -5.190 1.00 0.00 H new ATOM 706 N GLU A 47 5.032 11.356 -5.135 1.00 0.00 N ATOM 707 CA GLU A 47 4.048 10.602 -5.893 1.00 0.00 C ATOM 708 C GLU A 47 3.240 9.696 -4.961 1.00 0.00 C ATOM 709 O GLU A 47 2.015 9.791 -4.906 1.00 0.00 O ATOM 710 CB GLU A 47 4.716 9.790 -7.004 1.00 0.00 C ATOM 711 CG GLU A 47 3.672 9.187 -7.946 1.00 0.00 C ATOM 712 CD GLU A 47 3.897 9.655 -9.385 1.00 0.00 C ATOM 713 OE1 GLU A 47 3.321 10.707 -9.737 1.00 0.00 O ATOM 714 OE2 GLU A 47 4.641 8.950 -10.101 1.00 0.00 O ATOM 0 H GLU A 47 5.994 11.244 -5.455 1.00 0.00 H new ATOM 0 HA GLU A 47 3.364 11.307 -6.365 1.00 0.00 H new ATOM 0 HB2 GLU A 47 5.395 10.429 -7.569 1.00 0.00 H new ATOM 0 HB3 GLU A 47 5.318 8.994 -6.566 1.00 0.00 H new ATOM 0 HG2 GLU A 47 3.722 8.099 -7.902 1.00 0.00 H new ATOM 0 HG3 GLU A 47 2.673 9.474 -7.619 1.00 0.00 H new ATOM 721 N LEU A 48 3.959 8.839 -4.252 1.00 0.00 N ATOM 722 CA LEU A 48 3.325 7.917 -3.325 1.00 0.00 C ATOM 723 C LEU A 48 2.286 8.671 -2.493 1.00 0.00 C ATOM 724 O LEU A 48 1.107 8.320 -2.499 1.00 0.00 O ATOM 725 CB LEU A 48 4.378 7.192 -2.485 1.00 0.00 C ATOM 726 CG LEU A 48 5.359 6.307 -3.256 1.00 0.00 C ATOM 727 CD1 LEU A 48 6.740 6.315 -2.597 1.00 0.00 C ATOM 728 CD2 LEU A 48 4.809 4.888 -3.416 1.00 0.00 C ATOM 0 H LEU A 48 4.975 8.763 -4.301 1.00 0.00 H new ATOM 0 HA LEU A 48 2.793 7.136 -3.869 1.00 0.00 H new ATOM 0 HB2 LEU A 48 4.950 7.938 -1.932 1.00 0.00 H new ATOM 0 HB3 LEU A 48 3.864 6.574 -1.749 1.00 0.00 H new ATOM 0 HG LEU A 48 5.477 6.721 -4.257 1.00 0.00 H new ATOM 0 HD11 LEU A 48 7.418 5.678 -3.165 1.00 0.00 H new ATOM 0 HD12 LEU A 48 7.129 7.333 -2.579 1.00 0.00 H new ATOM 0 HD13 LEU A 48 6.659 5.939 -1.577 1.00 0.00 H new ATOM 0 HD21 LEU A 48 5.526 4.280 -3.968 1.00 0.00 H new ATOM 0 HD22 LEU A 48 4.642 4.449 -2.432 1.00 0.00 H new ATOM 0 HD23 LEU A 48 3.866 4.923 -3.962 1.00 0.00 H new ATOM 740 N GLN A 49 2.762 9.693 -1.796 1.00 0.00 N ATOM 741 CA GLN A 49 1.889 10.499 -0.960 1.00 0.00 C ATOM 742 C GLN A 49 0.548 10.729 -1.660 1.00 0.00 C ATOM 743 O GLN A 49 -0.509 10.579 -1.049 1.00 0.00 O ATOM 744 CB GLN A 49 2.553 11.829 -0.597 1.00 0.00 C ATOM 745 CG GLN A 49 2.088 12.317 0.776 1.00 0.00 C ATOM 746 CD GLN A 49 2.879 11.639 1.896 1.00 0.00 C ATOM 747 OE1 GLN A 49 4.093 11.528 1.854 1.00 0.00 O ATOM 748 NE2 GLN A 49 2.125 11.194 2.898 1.00 0.00 N ATOM 0 H GLN A 49 3.741 9.981 -1.793 1.00 0.00 H new ATOM 0 HA GLN A 49 1.704 9.957 -0.032 1.00 0.00 H new ATOM 0 HB2 GLN A 49 3.637 11.711 -0.597 1.00 0.00 H new ATOM 0 HB3 GLN A 49 2.314 12.577 -1.353 1.00 0.00 H new ATOM 0 HG2 GLN A 49 2.211 13.398 0.842 1.00 0.00 H new ATOM 0 HG3 GLN A 49 1.025 12.109 0.899 1.00 0.00 H new ATOM 0 HE21 GLN A 49 1.113 11.320 2.870 1.00 0.00 H new ATOM 0 HE22 GLN A 49 2.559 10.727 3.694 1.00 0.00 H new ATOM 757 N ASP A 50 0.634 11.090 -2.932 1.00 0.00 N ATOM 758 CA ASP A 50 -0.559 11.342 -3.721 1.00 0.00 C ATOM 759 C ASP A 50 -1.350 10.041 -3.872 1.00 0.00 C ATOM 760 O ASP A 50 -2.574 10.037 -3.752 1.00 0.00 O ATOM 761 CB ASP A 50 -0.198 11.840 -5.122 1.00 0.00 C ATOM 762 CG ASP A 50 -0.822 13.182 -5.511 1.00 0.00 C ATOM 763 OD1 ASP A 50 -1.968 13.152 -6.009 1.00 0.00 O ATOM 764 OD2 ASP A 50 -0.138 14.208 -5.303 1.00 0.00 O ATOM 0 H ASP A 50 1.512 11.214 -3.436 1.00 0.00 H new ATOM 0 HA ASP A 50 -1.148 12.103 -3.208 1.00 0.00 H new ATOM 0 HB2 ASP A 50 0.886 11.926 -5.193 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -0.506 11.089 -5.849 1.00 0.00 H new ATOM 769 N MET A 51 -0.618 8.967 -4.132 1.00 0.00 N ATOM 770 CA MET A 51 -1.236 7.663 -4.300 1.00 0.00 C ATOM 771 C MET A 51 -1.918 7.209 -3.008 1.00 0.00 C ATOM 772 O MET A 51 -3.006 6.636 -3.045 1.00 0.00 O ATOM 773 CB MET A 51 -0.170 6.641 -4.702 1.00 0.00 C ATOM 774 CG MET A 51 0.551 7.075 -5.980 1.00 0.00 C ATOM 775 SD MET A 51 2.060 6.142 -6.176 1.00 0.00 S ATOM 776 CE MET A 51 1.924 5.689 -7.897 1.00 0.00 C ATOM 0 H MET A 51 0.397 8.974 -4.230 1.00 0.00 H new ATOM 0 HA MET A 51 -1.993 7.738 -5.081 1.00 0.00 H new ATOM 0 HB2 MET A 51 0.552 6.526 -3.894 1.00 0.00 H new ATOM 0 HB3 MET A 51 -0.634 5.667 -4.855 1.00 0.00 H new ATOM 0 HG2 MET A 51 -0.097 6.921 -6.843 1.00 0.00 H new ATOM 0 HG3 MET A 51 0.776 8.141 -5.937 1.00 0.00 H new ATOM 0 HE1 MET A 51 2.792 5.097 -8.187 1.00 0.00 H new ATOM 0 HE2 MET A 51 1.018 5.102 -8.048 1.00 0.00 H new ATOM 0 HE3 MET A 51 1.879 6.590 -8.508 1.00 0.00 H new ATOM 786 N ILE A 52 -1.250 7.481 -1.897 1.00 0.00 N ATOM 787 CA ILE A 52 -1.778 7.108 -0.596 1.00 0.00 C ATOM 788 C ILE A 52 -2.970 8.005 -0.257 1.00 0.00 C ATOM 789 O ILE A 52 -3.861 7.604 0.490 1.00 0.00 O ATOM 790 CB ILE A 52 -0.670 7.132 0.459 1.00 0.00 C ATOM 791 CG1 ILE A 52 0.367 6.040 0.191 1.00 0.00 C ATOM 792 CG2 ILE A 52 -1.254 7.034 1.870 1.00 0.00 C ATOM 793 CD1 ILE A 52 1.177 5.732 1.452 1.00 0.00 C ATOM 0 H ILE A 52 -0.347 7.955 -1.871 1.00 0.00 H new ATOM 0 HA ILE A 52 -2.146 6.082 -0.615 1.00 0.00 H new ATOM 0 HB ILE A 52 -0.154 8.090 0.390 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -0.133 5.135 -0.154 1.00 0.00 H new ATOM 0 HG13 ILE A 52 1.037 6.358 -0.608 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -0.445 7.053 2.601 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -1.923 7.877 2.046 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -1.811 6.102 1.969 1.00 0.00 H new ATOM 0 HD11 ILE A 52 1.907 4.952 1.234 1.00 0.00 H new ATOM 0 HD12 ILE A 52 1.695 6.633 1.781 1.00 0.00 H new ATOM 0 HD13 ILE A 52 0.507 5.391 2.241 1.00 0.00 H new ATOM 805 N ASN A 53 -2.948 9.203 -0.823 1.00 0.00 N ATOM 806 CA ASN A 53 -4.016 10.160 -0.591 1.00 0.00 C ATOM 807 C ASN A 53 -5.119 9.949 -1.629 1.00 0.00 C ATOM 808 O ASN A 53 -6.064 10.733 -1.705 1.00 0.00 O ATOM 809 CB ASN A 53 -3.507 11.597 -0.727 1.00 0.00 C ATOM 810 CG ASN A 53 -2.638 11.986 0.471 1.00 0.00 C ATOM 811 OD1 ASN A 53 -2.613 11.323 1.494 1.00 0.00 O ATOM 812 ND2 ASN A 53 -1.929 13.096 0.286 1.00 0.00 N ATOM 0 H ASN A 53 -2.207 9.532 -1.442 1.00 0.00 H new ATOM 0 HA ASN A 53 -4.394 10.005 0.420 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -2.931 11.697 -1.647 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -4.353 12.280 -0.805 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -1.317 13.440 1.026 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -1.997 13.603 -0.596 1.00 0.00 H new ATOM 819 N GLU A 54 -4.963 8.886 -2.404 1.00 0.00 N ATOM 820 CA GLU A 54 -5.935 8.562 -3.435 1.00 0.00 C ATOM 821 C GLU A 54 -6.942 7.536 -2.911 1.00 0.00 C ATOM 822 O GLU A 54 -8.021 7.375 -3.479 1.00 0.00 O ATOM 823 CB GLU A 54 -5.242 8.053 -4.701 1.00 0.00 C ATOM 824 CG GLU A 54 -4.558 9.198 -5.449 1.00 0.00 C ATOM 825 CD GLU A 54 -5.078 9.303 -6.885 1.00 0.00 C ATOM 826 OE1 GLU A 54 -4.900 8.313 -7.626 1.00 0.00 O ATOM 827 OE2 GLU A 54 -5.642 10.371 -7.208 1.00 0.00 O ATOM 0 H GLU A 54 -4.178 8.238 -2.339 1.00 0.00 H new ATOM 0 HA GLU A 54 -6.475 9.472 -3.697 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -4.505 7.295 -4.437 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -5.973 7.574 -5.352 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -4.735 10.137 -4.925 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -3.480 9.038 -5.460 1.00 0.00 H new ATOM 834 N VAL A 55 -6.554 6.869 -1.834 1.00 0.00 N ATOM 835 CA VAL A 55 -7.409 5.863 -1.228 1.00 0.00 C ATOM 836 C VAL A 55 -7.734 6.276 0.209 1.00 0.00 C ATOM 837 O VAL A 55 -8.865 6.113 0.665 1.00 0.00 O ATOM 838 CB VAL A 55 -6.746 4.487 -1.320 1.00 0.00 C ATOM 839 CG1 VAL A 55 -7.234 3.725 -2.554 1.00 0.00 C ATOM 840 CG2 VAL A 55 -5.221 4.612 -1.319 1.00 0.00 C ATOM 0 H VAL A 55 -5.658 7.006 -1.365 1.00 0.00 H new ATOM 0 HA VAL A 55 -8.354 5.789 -1.767 1.00 0.00 H new ATOM 0 HB VAL A 55 -7.035 3.916 -0.438 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -6.748 2.750 -2.596 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -8.314 3.589 -2.494 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -6.989 4.292 -3.452 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -4.775 3.620 -1.385 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -4.904 5.210 -2.173 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -4.896 5.095 -0.398 1.00 0.00 H new ATOM 850 N ASP A 56 -6.721 6.801 0.883 1.00 0.00 N ATOM 851 CA ASP A 56 -6.885 7.238 2.259 1.00 0.00 C ATOM 852 C ASP A 56 -7.738 8.508 2.289 1.00 0.00 C ATOM 853 O ASP A 56 -7.231 9.606 2.064 1.00 0.00 O ATOM 854 CB ASP A 56 -5.533 7.561 2.899 1.00 0.00 C ATOM 855 CG ASP A 56 -5.610 8.171 4.300 1.00 0.00 C ATOM 856 OD1 ASP A 56 -6.653 7.957 4.956 1.00 0.00 O ATOM 857 OD2 ASP A 56 -4.625 8.838 4.684 1.00 0.00 O ATOM 0 H ASP A 56 -5.784 6.933 0.502 1.00 0.00 H new ATOM 0 HA ASP A 56 -7.363 6.431 2.814 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -4.944 6.645 2.950 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -4.995 8.250 2.248 1.00 0.00 H new ATOM 862 N ALA A 57 -9.019 8.316 2.567 1.00 0.00 N ATOM 863 CA ALA A 57 -9.947 9.432 2.629 1.00 0.00 C ATOM 864 C ALA A 57 -9.935 10.022 4.041 1.00 0.00 C ATOM 865 O ALA A 57 -10.535 11.068 4.285 1.00 0.00 O ATOM 866 CB ALA A 57 -11.340 8.962 2.205 1.00 0.00 C ATOM 0 H ALA A 57 -9.436 7.404 2.752 1.00 0.00 H new ATOM 0 HA ALA A 57 -9.645 10.221 1.940 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -12.036 9.799 2.252 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -11.300 8.579 1.185 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -11.677 8.172 2.876 1.00 0.00 H new ATOM 872 N ASP A 58 -9.245 9.327 4.933 1.00 0.00 N ATOM 873 CA ASP A 58 -9.147 9.768 6.313 1.00 0.00 C ATOM 874 C ASP A 58 -8.049 10.827 6.429 1.00 0.00 C ATOM 875 O ASP A 58 -8.134 11.727 7.264 1.00 0.00 O ATOM 876 CB ASP A 58 -8.783 8.606 7.239 1.00 0.00 C ATOM 877 CG ASP A 58 -7.340 8.613 7.748 1.00 0.00 C ATOM 878 OD1 ASP A 58 -6.985 9.596 8.435 1.00 0.00 O ATOM 879 OD2 ASP A 58 -6.624 7.636 7.440 1.00 0.00 O ATOM 0 H ASP A 58 -8.748 8.461 4.726 1.00 0.00 H new ATOM 0 HA ASP A 58 -10.116 10.173 6.607 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -9.455 8.620 8.097 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -8.961 7.670 6.710 1.00 0.00 H new ATOM 884 N GLY A 59 -7.043 10.686 5.578 1.00 0.00 N ATOM 885 CA GLY A 59 -5.929 11.619 5.574 1.00 0.00 C ATOM 886 C GLY A 59 -5.015 11.387 6.779 1.00 0.00 C ATOM 887 O GLY A 59 -4.427 12.329 7.307 1.00 0.00 O ATOM 0 H GLY A 59 -6.976 9.939 4.886 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -5.358 11.505 4.653 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -6.306 12.641 5.591 1.00 0.00 H new ATOM 891 N ASN A 60 -4.924 10.126 7.178 1.00 0.00 N ATOM 892 CA ASN A 60 -4.091 9.758 8.311 1.00 0.00 C ATOM 893 C ASN A 60 -2.620 9.813 7.896 1.00 0.00 C ATOM 894 O ASN A 60 -1.735 9.914 8.744 1.00 0.00 O ATOM 895 CB ASN A 60 -4.398 8.335 8.780 1.00 0.00 C ATOM 896 CG ASN A 60 -4.137 7.322 7.663 1.00 0.00 C ATOM 897 OD1 ASN A 60 -3.643 7.648 6.596 1.00 0.00 O ATOM 898 ND2 ASN A 60 -4.495 6.077 7.967 1.00 0.00 N ATOM 0 H ASN A 60 -5.413 9.347 6.737 1.00 0.00 H new ATOM 0 HA ASN A 60 -4.296 10.457 9.122 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -3.783 8.093 9.647 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -5.438 8.270 9.099 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -4.903 5.872 8.879 1.00 0.00 H new ATOM 905 N GLY A 61 -2.403 9.745 6.590 1.00 0.00 N ATOM 906 CA GLY A 61 -1.054 9.785 6.052 1.00 0.00 C ATOM 907 C GLY A 61 -0.597 8.393 5.613 1.00 0.00 C ATOM 908 O GLY A 61 0.257 8.264 4.737 1.00 0.00 O ATOM 0 H GLY A 61 -3.139 9.662 5.889 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -1.017 10.468 5.203 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -0.370 10.175 6.805 1.00 0.00 H new ATOM 912 N THR A 62 -1.186 7.386 6.241 1.00 0.00 N ATOM 913 CA THR A 62 -0.850 6.008 5.925 1.00 0.00 C ATOM 914 C THR A 62 -2.036 5.309 5.257 1.00 0.00 C ATOM 915 O THR A 62 -3.082 5.920 5.046 1.00 0.00 O ATOM 916 CB THR A 62 -0.391 5.326 7.216 1.00 0.00 C ATOM 917 OG1 THR A 62 0.479 4.289 6.770 1.00 0.00 O ATOM 918 CG2 THR A 62 -1.527 4.581 7.921 1.00 0.00 C ATOM 0 H THR A 62 -1.894 7.497 6.967 1.00 0.00 H new ATOM 0 HA THR A 62 -0.034 5.955 5.204 1.00 0.00 H new ATOM 0 HB THR A 62 0.028 6.072 7.891 1.00 0.00 H new ATOM 0 HG1 THR A 62 0.824 3.796 7.544 1.00 0.00 H new ATOM 0 HG21 THR A 62 -1.147 4.116 8.831 1.00 0.00 H new ATOM 0 HG22 THR A 62 -2.320 5.284 8.177 1.00 0.00 H new ATOM 0 HG23 THR A 62 -1.924 3.812 7.258 1.00 0.00 H new ATOM 926 N ILE A 63 -1.833 4.038 4.944 1.00 0.00 N ATOM 927 CA ILE A 63 -2.873 3.249 4.305 1.00 0.00 C ATOM 928 C ILE A 63 -3.168 2.015 5.158 1.00 0.00 C ATOM 929 O ILE A 63 -2.252 1.388 5.688 1.00 0.00 O ATOM 930 CB ILE A 63 -2.485 2.921 2.862 1.00 0.00 C ATOM 931 CG1 ILE A 63 -2.295 4.198 2.041 1.00 0.00 C ATOM 932 CG2 ILE A 63 -3.502 1.974 2.222 1.00 0.00 C ATOM 933 CD1 ILE A 63 -3.391 4.337 0.982 1.00 0.00 C ATOM 0 H ILE A 63 -0.964 3.535 5.121 1.00 0.00 H new ATOM 0 HA ILE A 63 -3.799 3.820 4.240 1.00 0.00 H new ATOM 0 HB ILE A 63 -1.527 2.402 2.876 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -2.310 5.065 2.701 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -1.318 4.182 1.558 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -3.202 1.757 1.197 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -3.544 1.046 2.792 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -4.486 2.443 2.221 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -3.233 5.253 0.412 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -3.357 3.480 0.309 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -4.365 4.377 1.470 1.00 0.00 H new ATOM 945 N ASP A 64 -4.451 1.701 5.265 1.00 0.00 N ATOM 946 CA ASP A 64 -4.879 0.553 6.045 1.00 0.00 C ATOM 947 C ASP A 64 -5.243 -0.594 5.100 1.00 0.00 C ATOM 948 O ASP A 64 -4.966 -0.528 3.903 1.00 0.00 O ATOM 949 CB ASP A 64 -6.115 0.885 6.883 1.00 0.00 C ATOM 950 CG ASP A 64 -5.951 2.071 7.836 1.00 0.00 C ATOM 951 OD1 ASP A 64 -4.837 2.208 8.385 1.00 0.00 O ATOM 952 OD2 ASP A 64 -6.944 2.814 7.994 1.00 0.00 O ATOM 0 H ASP A 64 -5.208 2.223 4.824 1.00 0.00 H new ATOM 0 HA ASP A 64 -4.060 0.272 6.707 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -6.947 1.092 6.210 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -6.387 0.005 7.466 1.00 0.00 H new ATOM 957 N PHE A 65 -5.857 -1.618 5.673 1.00 0.00 N ATOM 958 CA PHE A 65 -6.262 -2.778 4.896 1.00 0.00 C ATOM 959 C PHE A 65 -7.524 -2.481 4.084 1.00 0.00 C ATOM 960 O PHE A 65 -7.609 -2.835 2.910 1.00 0.00 O ATOM 961 CB PHE A 65 -6.562 -3.900 5.891 1.00 0.00 C ATOM 962 CG PHE A 65 -7.250 -5.117 5.268 1.00 0.00 C ATOM 963 CD1 PHE A 65 -6.694 -5.736 4.192 1.00 0.00 C ATOM 964 CD2 PHE A 65 -8.418 -5.579 5.790 1.00 0.00 C ATOM 965 CE1 PHE A 65 -7.333 -6.864 3.614 1.00 0.00 C ATOM 966 CE2 PHE A 65 -9.057 -6.707 5.212 1.00 0.00 C ATOM 967 CZ PHE A 65 -8.501 -7.326 4.136 1.00 0.00 C ATOM 0 H PHE A 65 -6.084 -1.669 6.666 1.00 0.00 H new ATOM 0 HA PHE A 65 -5.471 -3.053 4.199 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -5.629 -4.220 6.354 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -7.194 -3.506 6.687 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -5.767 -5.369 3.778 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -8.859 -5.087 6.644 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -6.892 -7.356 2.760 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -9.984 -7.074 5.626 1.00 0.00 H new ATOM 0 HZ PHE A 65 -8.987 -8.184 3.696 1.00 0.00 H new ATOM 977 N PRO A 66 -8.499 -1.816 4.761 1.00 0.00 N ATOM 978 CA PRO A 66 -9.753 -1.467 4.116 1.00 0.00 C ATOM 979 C PRO A 66 -9.568 -0.289 3.157 1.00 0.00 C ATOM 980 O PRO A 66 -10.325 -0.138 2.199 1.00 0.00 O ATOM 981 CB PRO A 66 -10.710 -1.159 5.256 1.00 0.00 C ATOM 982 CG PRO A 66 -9.838 -0.895 6.472 1.00 0.00 C ATOM 983 CD PRO A 66 -8.433 -1.380 6.153 1.00 0.00 C ATOM 0 HA PRO A 66 -10.143 -2.272 3.493 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -11.329 -0.292 5.023 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -11.387 -1.995 5.435 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -9.829 0.168 6.712 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -10.232 -1.415 7.345 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -7.700 -0.584 6.284 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -8.137 -2.198 6.811 1.00 0.00 H new ATOM 991 N GLU A 67 -8.556 0.515 3.447 1.00 0.00 N ATOM 992 CA GLU A 67 -8.261 1.674 2.622 1.00 0.00 C ATOM 993 C GLU A 67 -7.487 1.253 1.371 1.00 0.00 C ATOM 994 O GLU A 67 -7.494 1.961 0.365 1.00 0.00 O ATOM 995 CB GLU A 67 -7.487 2.729 3.416 1.00 0.00 C ATOM 996 CG GLU A 67 -8.084 2.911 4.813 1.00 0.00 C ATOM 997 CD GLU A 67 -8.943 4.176 4.881 1.00 0.00 C ATOM 998 OE1 GLU A 67 -10.127 4.079 4.493 1.00 0.00 O ATOM 999 OE2 GLU A 67 -8.396 5.210 5.321 1.00 0.00 O ATOM 0 H GLU A 67 -7.930 0.387 4.242 1.00 0.00 H new ATOM 0 HA GLU A 67 -9.204 2.121 2.308 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -6.442 2.432 3.499 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -7.507 3.679 2.881 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -8.689 2.042 5.070 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -7.283 2.971 5.550 1.00 0.00 H new ATOM 1006 N PHE A 68 -6.838 0.102 1.475 1.00 0.00 N ATOM 1007 CA PHE A 68 -6.061 -0.422 0.364 1.00 0.00 C ATOM 1008 C PHE A 68 -6.902 -1.369 -0.494 1.00 0.00 C ATOM 1009 O PHE A 68 -6.679 -1.484 -1.698 1.00 0.00 O ATOM 1010 CB PHE A 68 -4.890 -1.201 0.966 1.00 0.00 C ATOM 1011 CG PHE A 68 -4.446 -2.401 0.128 1.00 0.00 C ATOM 1012 CD1 PHE A 68 -5.168 -3.553 0.153 1.00 0.00 C ATOM 1013 CD2 PHE A 68 -3.327 -2.317 -0.641 1.00 0.00 C ATOM 1014 CE1 PHE A 68 -4.756 -4.667 -0.625 1.00 0.00 C ATOM 1015 CE2 PHE A 68 -2.914 -3.431 -1.419 1.00 0.00 C ATOM 1016 CZ PHE A 68 -3.637 -4.582 -1.394 1.00 0.00 C ATOM 0 H PHE A 68 -6.834 -0.482 2.311 1.00 0.00 H new ATOM 0 HA PHE A 68 -5.721 0.396 -0.272 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -4.044 -0.526 1.092 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -5.171 -1.549 1.960 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -6.055 -3.621 0.765 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -2.752 -1.403 -0.660 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -5.331 -5.581 -0.606 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -2.026 -3.364 -2.030 1.00 0.00 H new ATOM 0 HZ PHE A 68 -3.323 -5.430 -1.985 1.00 0.00 H new ATOM 1026 N LEU A 69 -7.851 -2.024 0.160 1.00 0.00 N ATOM 1027 CA LEU A 69 -8.725 -2.958 -0.528 1.00 0.00 C ATOM 1028 C LEU A 69 -9.356 -2.263 -1.737 1.00 0.00 C ATOM 1029 O LEU A 69 -9.545 -2.881 -2.784 1.00 0.00 O ATOM 1030 CB LEU A 69 -9.748 -3.549 0.443 1.00 0.00 C ATOM 1031 CG LEU A 69 -9.227 -4.634 1.388 1.00 0.00 C ATOM 1032 CD1 LEU A 69 -9.941 -4.574 2.740 1.00 0.00 C ATOM 1033 CD2 LEU A 69 -9.332 -6.018 0.745 1.00 0.00 C ATOM 0 H LEU A 69 -8.033 -1.926 1.159 1.00 0.00 H new ATOM 0 HA LEU A 69 -8.154 -3.805 -0.908 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -10.159 -2.738 1.044 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -10.572 -3.965 -0.137 1.00 0.00 H new ATOM 0 HG LEU A 69 -8.170 -4.445 1.574 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -9.552 -5.356 3.392 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -9.770 -3.600 3.199 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -11.011 -4.723 2.593 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -8.955 -6.771 1.438 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -10.375 -6.232 0.509 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -8.741 -6.040 -0.171 1.00 0.00 H new ATOM 1045 N THR A 70 -9.664 -0.988 -1.552 1.00 0.00 N ATOM 1046 CA THR A 70 -10.270 -0.203 -2.615 1.00 0.00 C ATOM 1047 C THR A 70 -9.330 -0.122 -3.819 1.00 0.00 C ATOM 1048 O THR A 70 -9.779 -0.152 -4.964 1.00 0.00 O ATOM 1049 CB THR A 70 -10.640 1.165 -2.039 1.00 0.00 C ATOM 1050 OG1 THR A 70 -10.756 2.004 -3.185 1.00 0.00 O ATOM 1051 CG2 THR A 70 -9.498 1.791 -1.235 1.00 0.00 C ATOM 0 H THR A 70 -9.506 -0.479 -0.683 1.00 0.00 H new ATOM 0 HA THR A 70 -11.181 -0.673 -2.985 1.00 0.00 H new ATOM 0 HB THR A 70 -11.520 1.065 -1.403 1.00 0.00 H new ATOM 0 HG1 THR A 70 -10.996 2.911 -2.903 1.00 0.00 H new ATOM 0 HG21 THR A 70 -9.814 2.760 -0.849 1.00 0.00 H new ATOM 0 HG22 THR A 70 -9.237 1.137 -0.403 1.00 0.00 H new ATOM 0 HG23 THR A 70 -8.629 1.923 -1.879 1.00 0.00 H new ATOM 1059 N MET A 71 -8.043 -0.019 -3.520 1.00 0.00 N ATOM 1060 CA MET A 71 -7.036 0.067 -4.564 1.00 0.00 C ATOM 1061 C MET A 71 -7.095 -1.155 -5.484 1.00 0.00 C ATOM 1062 O MET A 71 -6.903 -1.036 -6.693 1.00 0.00 O ATOM 1063 CB MET A 71 -5.648 0.162 -3.928 1.00 0.00 C ATOM 1064 CG MET A 71 -4.933 1.443 -4.362 1.00 0.00 C ATOM 1065 SD MET A 71 -3.368 1.042 -5.121 1.00 0.00 S ATOM 1066 CE MET A 71 -3.916 0.663 -6.777 1.00 0.00 C ATOM 0 H MET A 71 -7.675 0.007 -2.569 1.00 0.00 H new ATOM 0 HA MET A 71 -7.233 0.957 -5.161 1.00 0.00 H new ATOM 0 HB2 MET A 71 -5.739 0.142 -2.842 1.00 0.00 H new ATOM 0 HB3 MET A 71 -5.053 -0.705 -4.214 1.00 0.00 H new ATOM 0 HG2 MET A 71 -5.556 1.997 -5.065 1.00 0.00 H new ATOM 0 HG3 MET A 71 -4.773 2.090 -3.499 1.00 0.00 H new ATOM 0 HE1 MET A 71 -3.557 -0.326 -7.062 1.00 0.00 H new ATOM 0 HE2 MET A 71 -5.005 0.678 -6.812 1.00 0.00 H new ATOM 0 HE3 MET A 71 -3.520 1.406 -7.470 1.00 0.00 H new ATOM 1076 N MET A 72 -7.360 -2.302 -4.876 1.00 0.00 N ATOM 1077 CA MET A 72 -7.446 -3.544 -5.624 1.00 0.00 C ATOM 1078 C MET A 72 -8.704 -3.573 -6.495 1.00 0.00 C ATOM 1079 O MET A 72 -8.640 -3.926 -7.672 1.00 0.00 O ATOM 1080 CB MET A 72 -7.469 -4.725 -4.653 1.00 0.00 C ATOM 1081 CG MET A 72 -6.234 -4.717 -3.749 1.00 0.00 C ATOM 1082 SD MET A 72 -5.302 -6.222 -3.975 1.00 0.00 S ATOM 1083 CE MET A 72 -4.031 -5.635 -5.083 1.00 0.00 C ATOM 0 H MET A 72 -7.518 -2.397 -3.873 1.00 0.00 H new ATOM 0 HA MET A 72 -6.575 -3.616 -6.275 1.00 0.00 H new ATOM 0 HB2 MET A 72 -8.371 -4.681 -4.043 1.00 0.00 H new ATOM 0 HB3 MET A 72 -7.508 -5.660 -5.213 1.00 0.00 H new ATOM 0 HG2 MET A 72 -5.609 -3.854 -3.981 1.00 0.00 H new ATOM 0 HG3 MET A 72 -6.537 -4.620 -2.706 1.00 0.00 H new ATOM 0 HE1 MET A 72 -3.356 -6.455 -5.329 1.00 0.00 H new ATOM 0 HE2 MET A 72 -4.491 -5.257 -5.996 1.00 0.00 H new ATOM 0 HE3 MET A 72 -3.470 -4.834 -4.601 1.00 0.00 H new ATOM 1093 N ALA A 73 -9.817 -3.198 -5.883 1.00 0.00 N ATOM 1094 CA ALA A 73 -11.088 -3.177 -6.587 1.00 0.00 C ATOM 1095 C ALA A 73 -10.922 -2.423 -7.908 1.00 0.00 C ATOM 1096 O ALA A 73 -11.438 -2.849 -8.940 1.00 0.00 O ATOM 1097 CB ALA A 73 -12.159 -2.554 -5.690 1.00 0.00 C ATOM 0 H ALA A 73 -9.865 -2.906 -4.907 1.00 0.00 H new ATOM 0 HA ALA A 73 -11.412 -4.190 -6.824 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -13.112 -2.538 -6.218 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -12.259 -3.144 -4.779 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -11.870 -1.535 -5.433 1.00 0.00 H new ATOM 1103 N ARG A 74 -10.199 -1.314 -7.832 1.00 0.00 N ATOM 1104 CA ARG A 74 -9.959 -0.496 -9.009 1.00 0.00 C ATOM 1105 C ARG A 74 -9.630 -1.382 -10.212 1.00 0.00 C ATOM 1106 O ARG A 74 -10.528 -1.817 -10.931 1.00 0.00 O ATOM 1107 CB ARG A 74 -8.806 0.482 -8.773 1.00 0.00 C ATOM 1108 CG ARG A 74 -9.239 1.630 -7.860 1.00 0.00 C ATOM 1109 CD ARG A 74 -9.190 2.968 -8.600 1.00 0.00 C ATOM 1110 NE ARG A 74 -7.819 3.524 -8.548 1.00 0.00 N ATOM 1111 CZ ARG A 74 -7.528 4.821 -8.717 1.00 0.00 C ATOM 1112 NH1 ARG A 74 -8.509 5.704 -8.949 1.00 0.00 N ATOM 1113 NH2 ARG A 74 -6.255 5.236 -8.653 1.00 0.00 N ATOM 0 H ARG A 74 -9.772 -0.964 -6.974 1.00 0.00 H new ATOM 0 HA ARG A 74 -10.867 0.072 -9.210 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -7.963 -0.045 -8.326 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -8.462 0.881 -9.727 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -10.250 1.448 -7.496 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -8.588 1.670 -6.986 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -9.497 2.831 -9.637 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -9.893 3.669 -8.149 1.00 0.00 H new ATOM 0 HE ARG A 74 -7.048 2.880 -8.373 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -9.478 5.389 -8.997 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -8.287 6.691 -9.078 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -5.508 4.564 -8.476 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -6.033 6.223 -8.782 1.00 0.00 H new ATOM 1127 N LYS A 75 -8.339 -1.621 -10.395 1.00 0.00 N ATOM 1128 CA LYS A 75 -7.881 -2.446 -11.500 1.00 0.00 C ATOM 1129 C LYS A 75 -8.408 -3.871 -11.319 1.00 0.00 C ATOM 1130 O LYS A 75 -8.026 -4.563 -10.377 1.00 0.00 O ATOM 1131 CB LYS A 75 -6.358 -2.366 -11.632 1.00 0.00 C ATOM 1132 CG LYS A 75 -5.724 -3.753 -11.519 1.00 0.00 C ATOM 1133 CD LYS A 75 -4.240 -3.710 -11.887 1.00 0.00 C ATOM 1134 CE LYS A 75 -3.450 -2.868 -10.882 1.00 0.00 C ATOM 1135 NZ LYS A 75 -2.911 -1.654 -11.533 1.00 0.00 N ATOM 1136 OXT LYS A 75 -9.277 -4.267 -12.238 1.00 0.00 O ATOM 0 H LYS A 75 -7.597 -1.258 -9.797 1.00 0.00 H new ATOM 0 HA LYS A 75 -8.280 -2.075 -12.444 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -6.096 -1.919 -12.591 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -5.956 -1.714 -10.856 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -5.839 -4.127 -10.502 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -6.245 -4.449 -12.176 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -3.839 -4.723 -11.913 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -4.122 -3.294 -12.888 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -4.094 -2.586 -10.049 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -2.633 -3.458 -10.467 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -2.378 -1.094 -10.837 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -2.280 -1.929 -12.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -3.696 -1.084 -11.908 1.00 0.00 H new TER 1150 LYS A 75 HETATM 1151 CE CE A 76 3.487 -0.424 7.806 1.00 0.00 CE HETATM 1152 CE CE A 77 -5.663 5.706 6.274 1.00 0.00 CE