USER MOD reduce.3.24.130724 H: found=0, std=0, add=561, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 561 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 : A 24 ASNHD21 : A 24 ASN OD1 : A 76 CACA :(metal ligand) USER MOD NoAdj : A 24 ASNHD22 : A 24 ASN OD1 : A 76 CACA :(metal ligand) USER MOD Single : A 1 SER N :NH3+ -110:sc= 0.132 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ -173:sc= 1.13 (180deg=1.07) USER MOD Single : A 6 THR OG1 : rot 41:sc= 0.0521 USER MOD Single : A 8 SER OG : rot 180:sc= 0.134 USER MOD Single : A 21 LYS NZ :NH3+ 140:sc= -0.491 (180deg=-2.35!) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot -81:sc= 0.571 USER MOD Single : A 34 HIS : no HD1:sc=-0.000695 X(o=-0.0007,f=0) USER MOD Single : A 36 MET CE :methyl 159:sc= 0 (180deg=-0.489) USER MOD Single : A 37 THR OG1 : rot 86:sc= 0.798 USER MOD Single : A 38 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 114:sc= -0.057 USER MOD Single : A 51 MET CE :methyl -164:sc= -0.0486 (180deg=-0.412) USER MOD Single : A 62 GLN : amide:sc= -1.12 K(o=-1.1,f=-0.04) USER MOD Single : A 64 ASN : amide:sc= -0.979 K(o=-0.98,f=-11!) USER MOD Single : A 65 TYR OH : rot -20:sc= 0.393 USER MOD Single : A 70 GLN : amide:sc= -0.241 X(o=-0.24,f=-0.56) USER MOD Single : A 71 HIS : no HD1:sc= 0 X(o=0,f=-0.042) USER MOD Single : A 72 MET CE :methyl -178:sc= 0 (180deg=-0.00537) USER MOD Single : A 73 THR OG1 : rot -76:sc= 0.499 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 14.912 24.435 -11.045 1.00 0.00 N ATOM 2 CA SER A 1 13.889 23.488 -10.559 1.00 0.00 C ATOM 3 C SER A 1 12.915 24.217 -9.627 1.00 0.00 C ATOM 4 O SER A 1 13.171 25.357 -9.227 1.00 0.00 O ATOM 5 CB SER A 1 14.577 22.313 -9.840 1.00 0.00 C ATOM 6 OG SER A 1 13.685 21.236 -9.618 1.00 0.00 O ATOM 0 H1 SER A 1 14.761 24.619 -12.057 1.00 0.00 H new ATOM 0 H2 SER A 1 14.838 25.327 -10.516 1.00 0.00 H new ATOM 0 H3 SER A 1 15.858 24.026 -10.905 1.00 0.00 H new ATOM 0 HA SER A 1 13.321 23.089 -11.399 1.00 0.00 H new ATOM 0 HB2 SER A 1 15.422 21.968 -10.435 1.00 0.00 H new ATOM 0 HB3 SER A 1 14.978 22.655 -8.886 1.00 0.00 H new ATOM 0 HG SER A 1 14.157 20.509 -9.162 1.00 0.00 H new ATOM 14 N LEU A 2 11.794 23.576 -9.316 1.00 0.00 N ATOM 15 CA LEU A 2 10.834 24.121 -8.377 1.00 0.00 C ATOM 16 C LEU A 2 10.689 23.188 -7.180 1.00 0.00 C ATOM 17 O LEU A 2 10.069 22.121 -7.270 1.00 0.00 O ATOM 18 CB LEU A 2 9.475 24.355 -9.058 1.00 0.00 C ATOM 19 CG LEU A 2 8.372 24.952 -8.168 1.00 0.00 C ATOM 20 CD1 LEU A 2 8.738 26.354 -7.694 1.00 0.00 C ATOM 21 CD2 LEU A 2 7.049 24.969 -8.911 1.00 0.00 C ATOM 0 H LEU A 2 11.531 22.671 -9.707 1.00 0.00 H new ATOM 0 HA LEU A 2 11.199 25.086 -8.024 1.00 0.00 H new ATOM 0 HB2 LEU A 2 9.627 25.018 -9.910 1.00 0.00 H new ATOM 0 HB3 LEU A 2 9.120 23.404 -9.454 1.00 0.00 H new ATOM 0 HG LEU A 2 8.272 24.320 -7.286 1.00 0.00 H new ATOM 0 HD11 LEU A 2 7.937 26.747 -7.067 1.00 0.00 H new ATOM 0 HD12 LEU A 2 9.663 26.314 -7.118 1.00 0.00 H new ATOM 0 HD13 LEU A 2 8.876 27.005 -8.557 1.00 0.00 H new ATOM 0 HD21 LEU A 2 6.277 25.394 -8.270 1.00 0.00 H new ATOM 0 HD22 LEU A 2 7.146 25.574 -9.812 1.00 0.00 H new ATOM 0 HD23 LEU A 2 6.773 23.951 -9.186 1.00 0.00 H new ATOM 33 N MET A 3 11.292 23.589 -6.070 1.00 0.00 N ATOM 34 CA MET A 3 11.160 22.858 -4.823 1.00 0.00 C ATOM 35 C MET A 3 10.007 23.451 -4.018 1.00 0.00 C ATOM 36 O MET A 3 10.056 24.608 -3.599 1.00 0.00 O ATOM 37 CB MET A 3 12.467 22.908 -4.018 1.00 0.00 C ATOM 38 CG MET A 3 12.439 22.071 -2.745 1.00 0.00 C ATOM 39 SD MET A 3 13.949 22.216 -1.773 1.00 0.00 S ATOM 40 CE MET A 3 13.596 21.069 -0.441 1.00 0.00 C ATOM 0 H MET A 3 11.879 24.421 -6.010 1.00 0.00 H new ATOM 0 HA MET A 3 10.949 21.811 -5.041 1.00 0.00 H new ATOM 0 HB2 MET A 3 13.285 22.563 -4.650 1.00 0.00 H new ATOM 0 HB3 MET A 3 12.682 23.944 -3.756 1.00 0.00 H new ATOM 0 HG2 MET A 3 11.590 22.377 -2.134 1.00 0.00 H new ATOM 0 HG3 MET A 3 12.282 21.025 -3.008 1.00 0.00 H new ATOM 0 HE1 MET A 3 14.438 21.044 0.250 1.00 0.00 H new ATOM 0 HE2 MET A 3 12.701 21.392 0.090 1.00 0.00 H new ATOM 0 HE3 MET A 3 13.434 20.073 -0.852 1.00 0.00 H new ATOM 50 N LYS A 4 8.965 22.657 -3.837 1.00 0.00 N ATOM 51 CA LYS A 4 7.789 23.070 -3.087 1.00 0.00 C ATOM 52 C LYS A 4 7.869 22.579 -1.645 1.00 0.00 C ATOM 53 O LYS A 4 8.904 22.057 -1.214 1.00 0.00 O ATOM 54 CB LYS A 4 6.528 22.544 -3.773 1.00 0.00 C ATOM 55 CG LYS A 4 6.239 23.215 -5.114 1.00 0.00 C ATOM 56 CD LYS A 4 5.271 22.399 -5.967 1.00 0.00 C ATOM 57 CE LYS A 4 5.904 21.088 -6.420 1.00 0.00 C ATOM 58 NZ LYS A 4 4.991 20.269 -7.253 1.00 0.00 N ATOM 0 H LYS A 4 8.910 21.708 -4.206 1.00 0.00 H new ATOM 0 HA LYS A 4 7.748 24.159 -3.065 1.00 0.00 H new ATOM 0 HB2 LYS A 4 6.629 21.470 -3.928 1.00 0.00 H new ATOM 0 HB3 LYS A 4 5.675 22.692 -3.111 1.00 0.00 H new ATOM 0 HG2 LYS A 4 5.821 24.207 -4.940 1.00 0.00 H new ATOM 0 HG3 LYS A 4 7.173 23.354 -5.658 1.00 0.00 H new ATOM 0 HD2 LYS A 4 4.366 22.191 -5.396 1.00 0.00 H new ATOM 0 HD3 LYS A 4 4.971 22.981 -6.838 1.00 0.00 H new ATOM 0 HE2 LYS A 4 6.810 21.303 -6.986 1.00 0.00 H new ATOM 0 HE3 LYS A 4 6.204 20.513 -5.544 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 5.425 19.341 -7.434 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 4.089 20.138 -6.753 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 4.818 20.753 -8.157 1.00 0.00 H new ATOM 72 N ASP A 5 6.786 22.784 -0.896 1.00 0.00 N ATOM 73 CA ASP A 5 6.719 22.388 0.514 1.00 0.00 C ATOM 74 C ASP A 5 6.602 20.880 0.646 1.00 0.00 C ATOM 75 O ASP A 5 7.239 20.283 1.515 1.00 0.00 O ATOM 76 CB ASP A 5 5.515 23.039 1.201 1.00 0.00 C ATOM 77 CG ASP A 5 5.504 24.552 1.106 1.00 0.00 C ATOM 78 OD1 ASP A 5 4.942 25.078 0.124 1.00 0.00 O ATOM 79 OD2 ASP A 5 6.040 25.222 2.007 1.00 0.00 O ATOM 0 H ASP A 5 5.935 23.226 -1.244 1.00 0.00 H new ATOM 0 HA ASP A 5 7.639 22.723 0.993 1.00 0.00 H new ATOM 0 HB2 ASP A 5 4.599 22.649 0.756 1.00 0.00 H new ATOM 0 HB3 ASP A 5 5.507 22.750 2.252 1.00 0.00 H new ATOM 84 N THR A 6 5.801 20.295 -0.267 1.00 0.00 N ATOM 85 CA THR A 6 5.502 18.857 -0.350 1.00 0.00 C ATOM 86 C THR A 6 5.083 18.246 0.992 1.00 0.00 C ATOM 87 O THR A 6 5.877 17.613 1.691 1.00 0.00 O ATOM 88 CB THR A 6 6.632 18.015 -1.028 1.00 0.00 C ATOM 89 OG1 THR A 6 7.914 18.236 -0.416 1.00 0.00 O ATOM 90 CG2 THR A 6 6.726 18.337 -2.511 1.00 0.00 C ATOM 0 H THR A 6 5.328 20.834 -0.993 1.00 0.00 H new ATOM 0 HA THR A 6 4.637 18.803 -1.011 1.00 0.00 H new ATOM 0 HB THR A 6 6.364 16.967 -0.893 1.00 0.00 H new ATOM 0 HG1 THR A 6 7.809 18.277 0.557 1.00 0.00 H new ATOM 0 HG21 THR A 6 7.518 17.740 -2.963 1.00 0.00 H new ATOM 0 HG22 THR A 6 5.777 18.106 -2.994 1.00 0.00 H new ATOM 0 HG23 THR A 6 6.951 19.396 -2.640 1.00 0.00 H new ATOM 98 N ASP A 7 3.849 18.533 1.383 1.00 0.00 N ATOM 99 CA ASP A 7 3.203 17.842 2.508 1.00 0.00 C ATOM 100 C ASP A 7 1.861 17.265 2.072 1.00 0.00 C ATOM 101 O ASP A 7 1.269 16.443 2.770 1.00 0.00 O ATOM 102 CB ASP A 7 2.975 18.779 3.700 1.00 0.00 C ATOM 103 CG ASP A 7 4.261 19.236 4.362 1.00 0.00 C ATOM 104 OD1 ASP A 7 4.755 18.529 5.259 1.00 0.00 O ATOM 105 OD2 ASP A 7 4.774 20.314 4.004 1.00 0.00 O ATOM 0 H ASP A 7 3.266 19.243 0.939 1.00 0.00 H new ATOM 0 HA ASP A 7 3.874 17.042 2.820 1.00 0.00 H new ATOM 0 HB2 ASP A 7 2.418 19.653 3.364 1.00 0.00 H new ATOM 0 HB3 ASP A 7 2.355 18.271 4.439 1.00 0.00 H new ATOM 110 N SER A 8 1.402 17.699 0.899 1.00 0.00 N ATOM 111 CA SER A 8 0.104 17.319 0.362 1.00 0.00 C ATOM 112 C SER A 8 0.237 16.012 -0.448 1.00 0.00 C ATOM 113 O SER A 8 1.103 15.187 -0.154 1.00 0.00 O ATOM 114 CB SER A 8 -0.407 18.486 -0.507 1.00 0.00 C ATOM 115 OG SER A 8 -1.806 18.406 -0.724 1.00 0.00 O ATOM 0 H SER A 8 1.928 18.329 0.293 1.00 0.00 H new ATOM 0 HA SER A 8 -0.614 17.129 1.160 1.00 0.00 H new ATOM 0 HB2 SER A 8 -0.168 19.432 -0.022 1.00 0.00 H new ATOM 0 HB3 SER A 8 0.111 18.479 -1.466 1.00 0.00 H new ATOM 0 HG SER A 8 -2.095 19.162 -1.277 1.00 0.00 H new ATOM 121 N GLU A 9 -0.606 15.847 -1.479 1.00 0.00 N ATOM 122 CA GLU A 9 -0.630 14.659 -2.349 1.00 0.00 C ATOM 123 C GLU A 9 0.698 14.440 -3.110 1.00 0.00 C ATOM 124 O GLU A 9 0.989 13.329 -3.547 1.00 0.00 O ATOM 125 CB GLU A 9 -1.801 14.783 -3.336 1.00 0.00 C ATOM 126 CG GLU A 9 -1.805 16.083 -4.141 1.00 0.00 C ATOM 127 CD GLU A 9 -3.083 16.296 -4.916 1.00 0.00 C ATOM 128 OE1 GLU A 9 -4.022 16.892 -4.358 1.00 0.00 O ATOM 129 OE2 GLU A 9 -3.156 15.871 -6.080 1.00 0.00 O ATOM 0 H GLU A 9 -1.302 16.547 -1.737 1.00 0.00 H new ATOM 0 HA GLU A 9 -0.763 13.785 -1.712 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -1.770 13.941 -4.027 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -2.737 14.708 -2.783 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -1.654 16.923 -3.463 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -0.964 16.077 -4.834 1.00 0.00 H new ATOM 136 N GLU A 10 1.496 15.508 -3.220 1.00 0.00 N ATOM 137 CA GLU A 10 2.805 15.486 -3.878 1.00 0.00 C ATOM 138 C GLU A 10 3.834 14.706 -3.050 1.00 0.00 C ATOM 139 O GLU A 10 4.718 14.050 -3.599 1.00 0.00 O ATOM 140 CB GLU A 10 3.298 16.920 -4.069 1.00 0.00 C ATOM 141 CG GLU A 10 2.234 17.871 -4.608 1.00 0.00 C ATOM 142 CD GLU A 10 2.744 19.284 -4.768 1.00 0.00 C ATOM 143 OE1 GLU A 10 3.338 19.820 -3.813 1.00 0.00 O ATOM 144 OE2 GLU A 10 2.546 19.867 -5.850 1.00 0.00 O ATOM 0 H GLU A 10 1.246 16.425 -2.849 1.00 0.00 H new ATOM 0 HA GLU A 10 2.693 14.990 -4.842 1.00 0.00 H new ATOM 0 HB2 GLU A 10 3.661 17.300 -3.114 1.00 0.00 H new ATOM 0 HB3 GLU A 10 4.147 16.914 -4.753 1.00 0.00 H new ATOM 0 HG2 GLU A 10 1.880 17.505 -5.572 1.00 0.00 H new ATOM 0 HG3 GLU A 10 1.378 17.872 -3.933 1.00 0.00 H new ATOM 151 N GLU A 11 3.694 14.770 -1.721 1.00 0.00 N ATOM 152 CA GLU A 11 4.574 14.049 -0.806 1.00 0.00 C ATOM 153 C GLU A 11 4.096 12.607 -0.646 1.00 0.00 C ATOM 154 O GLU A 11 4.891 11.706 -0.377 1.00 0.00 O ATOM 155 CB GLU A 11 4.610 14.745 0.552 1.00 0.00 C ATOM 156 CG GLU A 11 5.711 14.247 1.479 1.00 0.00 C ATOM 157 CD GLU A 11 5.172 13.689 2.774 1.00 0.00 C ATOM 158 OE1 GLU A 11 4.781 12.508 2.797 1.00 0.00 O ATOM 159 OE2 GLU A 11 5.153 14.422 3.775 1.00 0.00 O ATOM 0 H GLU A 11 2.972 15.320 -1.256 1.00 0.00 H new ATOM 0 HA GLU A 11 5.582 14.042 -1.221 1.00 0.00 H new ATOM 0 HB2 GLU A 11 4.739 15.816 0.396 1.00 0.00 H new ATOM 0 HB3 GLU A 11 3.647 14.608 1.044 1.00 0.00 H new ATOM 0 HG2 GLU A 11 6.290 13.477 0.969 1.00 0.00 H new ATOM 0 HG3 GLU A 11 6.395 15.067 1.698 1.00 0.00 H new ATOM 166 N ILE A 12 2.794 12.396 -0.861 1.00 0.00 N ATOM 167 CA ILE A 12 2.180 11.062 -0.815 1.00 0.00 C ATOM 168 C ILE A 12 2.715 10.190 -1.977 1.00 0.00 C ATOM 169 O ILE A 12 2.688 8.973 -1.905 1.00 0.00 O ATOM 170 CB ILE A 12 0.624 11.130 -0.853 1.00 0.00 C ATOM 171 CG1 ILE A 12 0.062 12.185 0.129 1.00 0.00 C ATOM 172 CG2 ILE A 12 0.004 9.773 -0.542 1.00 0.00 C ATOM 173 CD1 ILE A 12 0.391 11.959 1.596 1.00 0.00 C ATOM 0 H ILE A 12 2.134 13.145 -1.072 1.00 0.00 H new ATOM 0 HA ILE A 12 2.457 10.605 0.135 1.00 0.00 H new ATOM 0 HB ILE A 12 0.355 11.426 -1.867 1.00 0.00 H new ATOM 0 HG12 ILE A 12 0.440 13.165 -0.163 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -1.022 12.216 0.019 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -1.083 9.853 -0.576 1.00 0.00 H new ATOM 0 HG22 ILE A 12 0.337 9.043 -1.280 1.00 0.00 H new ATOM 0 HG23 ILE A 12 0.313 9.451 0.452 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -0.051 12.755 2.195 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -0.012 10.998 1.916 1.00 0.00 H new ATOM 0 HD13 ILE A 12 1.473 11.961 1.731 1.00 0.00 H new ATOM 185 N ARG A 13 3.204 10.845 -3.041 1.00 0.00 N ATOM 186 CA ARG A 13 3.884 10.162 -4.157 1.00 0.00 C ATOM 187 C ARG A 13 5.187 9.491 -3.703 1.00 0.00 C ATOM 188 O ARG A 13 5.507 8.382 -4.140 1.00 0.00 O ATOM 189 CB ARG A 13 4.204 11.163 -5.273 1.00 0.00 C ATOM 190 CG ARG A 13 2.978 11.864 -5.808 1.00 0.00 C ATOM 191 CD ARG A 13 3.285 12.821 -6.938 1.00 0.00 C ATOM 192 NE ARG A 13 2.049 13.357 -7.518 1.00 0.00 N ATOM 193 CZ ARG A 13 1.990 14.237 -8.519 1.00 0.00 C ATOM 194 NH1 ARG A 13 3.104 14.729 -9.053 1.00 0.00 N ATOM 195 NH2 ARG A 13 0.809 14.613 -8.995 1.00 0.00 N ATOM 0 H ARG A 13 3.141 11.857 -3.154 1.00 0.00 H new ATOM 0 HA ARG A 13 3.207 9.392 -4.525 1.00 0.00 H new ATOM 0 HB2 ARG A 13 4.905 11.907 -4.896 1.00 0.00 H new ATOM 0 HB3 ARG A 13 4.702 10.641 -6.090 1.00 0.00 H new ATOM 0 HG2 ARG A 13 2.264 11.118 -6.156 1.00 0.00 H new ATOM 0 HG3 ARG A 13 2.497 12.411 -4.997 1.00 0.00 H new ATOM 0 HD2 ARG A 13 3.904 13.639 -6.569 1.00 0.00 H new ATOM 0 HD3 ARG A 13 3.861 12.308 -7.708 1.00 0.00 H new ATOM 0 HE ARG A 13 1.166 13.032 -7.125 1.00 0.00 H new ATOM 0 HH11 ARG A 13 4.013 14.434 -8.698 1.00 0.00 H new ATOM 0 HH12 ARG A 13 3.049 15.401 -9.818 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -0.048 14.229 -8.595 1.00 0.00 H new ATOM 0 HH22 ARG A 13 0.758 15.286 -9.760 1.00 0.00 H new ATOM 209 N GLU A 14 5.923 10.161 -2.806 1.00 0.00 N ATOM 210 CA GLU A 14 7.179 9.632 -2.273 1.00 0.00 C ATOM 211 C GLU A 14 6.898 8.610 -1.164 1.00 0.00 C ATOM 212 O GLU A 14 7.672 7.680 -0.959 1.00 0.00 O ATOM 213 CB GLU A 14 8.065 10.777 -1.763 1.00 0.00 C ATOM 214 CG GLU A 14 9.471 10.334 -1.376 1.00 0.00 C ATOM 215 CD GLU A 14 10.332 11.458 -0.856 1.00 0.00 C ATOM 216 OE1 GLU A 14 10.316 11.711 0.363 1.00 0.00 O ATOM 217 OE2 GLU A 14 11.053 12.076 -1.660 1.00 0.00 O ATOM 0 H GLU A 14 5.665 11.075 -2.435 1.00 0.00 H new ATOM 0 HA GLU A 14 7.716 9.122 -3.072 1.00 0.00 H new ATOM 0 HB2 GLU A 14 8.134 11.543 -2.535 1.00 0.00 H new ATOM 0 HB3 GLU A 14 7.587 11.238 -0.898 1.00 0.00 H new ATOM 0 HG2 GLU A 14 9.402 9.557 -0.615 1.00 0.00 H new ATOM 0 HG3 GLU A 14 9.955 9.887 -2.245 1.00 0.00 H new ATOM 224 N ALA A 15 5.760 8.765 -0.484 1.00 0.00 N ATOM 225 CA ALA A 15 5.314 7.795 0.517 1.00 0.00 C ATOM 226 C ALA A 15 4.797 6.522 -0.155 1.00 0.00 C ATOM 227 O ALA A 15 4.852 5.437 0.418 1.00 0.00 O ATOM 228 CB ALA A 15 4.234 8.409 1.397 1.00 0.00 C ATOM 0 H ALA A 15 5.129 9.556 -0.609 1.00 0.00 H new ATOM 0 HA ALA A 15 6.166 7.527 1.142 1.00 0.00 H new ATOM 0 HB1 ALA A 15 3.910 7.678 2.138 1.00 0.00 H new ATOM 0 HB2 ALA A 15 4.634 9.287 1.904 1.00 0.00 H new ATOM 0 HB3 ALA A 15 3.384 8.701 0.780 1.00 0.00 H new ATOM 234 N PHE A 16 4.324 6.678 -1.389 1.00 0.00 N ATOM 235 CA PHE A 16 3.818 5.579 -2.191 1.00 0.00 C ATOM 236 C PHE A 16 4.959 4.678 -2.661 1.00 0.00 C ATOM 237 O PHE A 16 4.818 3.463 -2.666 1.00 0.00 O ATOM 238 CB PHE A 16 3.039 6.134 -3.398 1.00 0.00 C ATOM 239 CG PHE A 16 2.444 5.082 -4.285 1.00 0.00 C ATOM 240 CD1 PHE A 16 1.338 4.369 -3.875 1.00 0.00 C ATOM 241 CD2 PHE A 16 3.004 4.792 -5.517 1.00 0.00 C ATOM 242 CE1 PHE A 16 0.800 3.389 -4.669 1.00 0.00 C ATOM 243 CE2 PHE A 16 2.467 3.812 -6.316 1.00 0.00 C ATOM 244 CZ PHE A 16 1.364 3.108 -5.887 1.00 0.00 C ATOM 0 H PHE A 16 4.283 7.582 -1.860 1.00 0.00 H new ATOM 0 HA PHE A 16 3.147 4.978 -1.577 1.00 0.00 H new ATOM 0 HB2 PHE A 16 2.240 6.780 -3.034 1.00 0.00 H new ATOM 0 HB3 PHE A 16 3.708 6.757 -3.992 1.00 0.00 H new ATOM 0 HD1 PHE A 16 0.890 4.585 -2.917 1.00 0.00 H new ATOM 0 HD2 PHE A 16 3.871 5.341 -5.853 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -0.067 2.839 -4.335 1.00 0.00 H new ATOM 0 HE2 PHE A 16 2.908 3.594 -7.277 1.00 0.00 H new ATOM 0 HZ PHE A 16 0.943 2.334 -6.511 1.00 0.00 H new ATOM 254 N ARG A 17 6.093 5.287 -3.024 1.00 0.00 N ATOM 255 CA ARG A 17 7.244 4.549 -3.554 1.00 0.00 C ATOM 256 C ARG A 17 8.027 3.802 -2.464 1.00 0.00 C ATOM 257 O ARG A 17 8.896 2.995 -2.783 1.00 0.00 O ATOM 258 CB ARG A 17 8.146 5.447 -4.414 1.00 0.00 C ATOM 259 CG ARG A 17 8.826 6.599 -3.707 1.00 0.00 C ATOM 260 CD ARG A 17 10.293 6.304 -3.494 1.00 0.00 C ATOM 261 NE ARG A 17 10.575 5.690 -2.193 1.00 0.00 N ATOM 262 CZ ARG A 17 11.282 6.261 -1.209 1.00 0.00 C ATOM 263 NH1 ARG A 17 11.798 7.486 -1.358 1.00 0.00 N ATOM 264 NH2 ARG A 17 11.487 5.594 -0.080 1.00 0.00 N ATOM 0 H ARG A 17 6.238 6.295 -2.960 1.00 0.00 H new ATOM 0 HA ARG A 17 6.843 3.777 -4.210 1.00 0.00 H new ATOM 0 HB2 ARG A 17 8.916 4.823 -4.867 1.00 0.00 H new ATOM 0 HB3 ARG A 17 7.546 5.853 -5.228 1.00 0.00 H new ATOM 0 HG2 ARG A 17 8.715 7.510 -4.295 1.00 0.00 H new ATOM 0 HG3 ARG A 17 8.343 6.779 -2.747 1.00 0.00 H new ATOM 0 HD2 ARG A 17 10.642 5.640 -4.285 1.00 0.00 H new ATOM 0 HD3 ARG A 17 10.860 7.231 -3.582 1.00 0.00 H new ATOM 0 HE ARG A 17 10.204 4.755 -2.024 1.00 0.00 H new ATOM 0 HH11 ARG A 17 11.655 7.997 -2.229 1.00 0.00 H new ATOM 0 HH12 ARG A 17 12.334 7.909 -0.601 1.00 0.00 H new ATOM 0 HH21 ARG A 17 11.107 4.654 0.033 1.00 0.00 H new ATOM 0 HH22 ARG A 17 12.024 6.021 0.674 1.00 0.00 H new ATOM 278 N VAL A 18 7.787 4.132 -1.180 1.00 0.00 N ATOM 279 CA VAL A 18 8.337 3.327 -0.077 1.00 0.00 C ATOM 280 C VAL A 18 7.622 1.996 -0.052 1.00 0.00 C ATOM 281 O VAL A 18 8.249 0.937 -0.018 1.00 0.00 O ATOM 282 CB VAL A 18 8.141 3.933 1.338 1.00 0.00 C ATOM 283 CG1 VAL A 18 9.188 3.407 2.315 1.00 0.00 C ATOM 284 CG2 VAL A 18 8.131 5.435 1.328 1.00 0.00 C ATOM 0 H VAL A 18 7.228 4.933 -0.887 1.00 0.00 H new ATOM 0 HA VAL A 18 9.407 3.265 -0.274 1.00 0.00 H new ATOM 0 HB VAL A 18 7.157 3.610 1.678 1.00 0.00 H new ATOM 0 HG11 VAL A 18 9.024 3.850 3.297 1.00 0.00 H new ATOM 0 HG12 VAL A 18 9.106 2.323 2.388 1.00 0.00 H new ATOM 0 HG13 VAL A 18 10.184 3.672 1.959 1.00 0.00 H new ATOM 0 HG21 VAL A 18 7.991 5.805 2.344 1.00 0.00 H new ATOM 0 HG22 VAL A 18 9.079 5.803 0.936 1.00 0.00 H new ATOM 0 HG23 VAL A 18 7.316 5.789 0.697 1.00 0.00 H new ATOM 294 N PHE A 19 6.291 2.087 -0.099 1.00 0.00 N ATOM 295 CA PHE A 19 5.437 0.938 0.080 1.00 0.00 C ATOM 296 C PHE A 19 5.385 0.061 -1.176 1.00 0.00 C ATOM 297 O PHE A 19 5.298 -1.164 -1.075 1.00 0.00 O ATOM 298 CB PHE A 19 4.036 1.370 0.515 1.00 0.00 C ATOM 299 CG PHE A 19 3.958 1.791 1.960 1.00 0.00 C ATOM 300 CD1 PHE A 19 3.993 0.845 2.971 1.00 0.00 C ATOM 301 CD2 PHE A 19 3.859 3.125 2.309 1.00 0.00 C ATOM 302 CE1 PHE A 19 3.928 1.225 4.299 1.00 0.00 C ATOM 303 CE2 PHE A 19 3.793 3.512 3.634 1.00 0.00 C ATOM 304 CZ PHE A 19 3.828 2.559 4.630 1.00 0.00 C ATOM 0 H PHE A 19 5.789 2.960 -0.262 1.00 0.00 H new ATOM 0 HA PHE A 19 5.868 0.328 0.874 1.00 0.00 H new ATOM 0 HB2 PHE A 19 3.708 2.197 -0.114 1.00 0.00 H new ATOM 0 HB3 PHE A 19 3.342 0.547 0.347 1.00 0.00 H new ATOM 0 HD1 PHE A 19 4.072 -0.202 2.719 1.00 0.00 H new ATOM 0 HD2 PHE A 19 3.833 3.877 1.534 1.00 0.00 H new ATOM 0 HE1 PHE A 19 3.956 0.476 5.077 1.00 0.00 H new ATOM 0 HE2 PHE A 19 3.714 4.559 3.889 1.00 0.00 H new ATOM 0 HZ PHE A 19 3.777 2.857 5.667 1.00 0.00 H new ATOM 314 N ASP A 20 5.446 0.694 -2.348 1.00 0.00 N ATOM 315 CA ASP A 20 5.576 -0.019 -3.613 1.00 0.00 C ATOM 316 C ASP A 20 7.053 -0.321 -3.865 1.00 0.00 C ATOM 317 O ASP A 20 7.854 0.573 -4.149 1.00 0.00 O ATOM 318 CB ASP A 20 4.984 0.783 -4.798 1.00 0.00 C ATOM 319 CG ASP A 20 4.797 -0.063 -6.064 1.00 0.00 C ATOM 320 OD1 ASP A 20 5.639 -0.894 -6.394 1.00 0.00 O ATOM 321 OD2 ASP A 20 3.780 0.054 -6.723 1.00 0.00 O ATOM 0 H ASP A 20 5.407 1.709 -2.444 1.00 0.00 H new ATOM 0 HA ASP A 20 5.009 -0.947 -3.541 1.00 0.00 H new ATOM 0 HB2 ASP A 20 4.022 1.200 -4.502 1.00 0.00 H new ATOM 0 HB3 ASP A 20 5.640 1.624 -5.024 1.00 0.00 H new ATOM 326 N LYS A 21 7.387 -1.589 -3.752 1.00 0.00 N ATOM 327 CA LYS A 21 8.757 -2.072 -3.871 1.00 0.00 C ATOM 328 C LYS A 21 9.259 -2.163 -5.320 1.00 0.00 C ATOM 329 O LYS A 21 10.464 -2.074 -5.563 1.00 0.00 O ATOM 330 CB LYS A 21 8.877 -3.430 -3.180 1.00 0.00 C ATOM 331 CG LYS A 21 8.712 -3.373 -1.662 1.00 0.00 C ATOM 332 CD LYS A 21 9.761 -2.492 -0.972 1.00 0.00 C ATOM 333 CE LYS A 21 11.139 -3.148 -0.857 1.00 0.00 C ATOM 334 NZ LYS A 21 11.889 -3.187 -2.142 1.00 0.00 N ATOM 0 H LYS A 21 6.708 -2.329 -3.572 1.00 0.00 H new ATOM 0 HA LYS A 21 9.395 -1.336 -3.382 1.00 0.00 H new ATOM 0 HB2 LYS A 21 8.125 -4.103 -3.592 1.00 0.00 H new ATOM 0 HB3 LYS A 21 9.851 -3.860 -3.413 1.00 0.00 H new ATOM 0 HG2 LYS A 21 7.717 -2.995 -1.425 1.00 0.00 H new ATOM 0 HG3 LYS A 21 8.774 -4.384 -1.258 1.00 0.00 H new ATOM 0 HD2 LYS A 21 9.859 -1.558 -1.526 1.00 0.00 H new ATOM 0 HD3 LYS A 21 9.407 -2.235 0.026 1.00 0.00 H new ATOM 0 HE2 LYS A 21 11.729 -2.607 -0.118 1.00 0.00 H new ATOM 0 HE3 LYS A 21 11.018 -4.166 -0.485 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 12.892 -2.978 -1.965 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 11.802 -4.132 -2.566 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 11.498 -2.478 -2.794 1.00 0.00 H new ATOM 348 N ASP A 22 8.350 -2.350 -6.268 1.00 0.00 N ATOM 349 CA ASP A 22 8.733 -2.573 -7.670 1.00 0.00 C ATOM 350 C ASP A 22 8.518 -1.330 -8.551 1.00 0.00 C ATOM 351 O ASP A 22 9.012 -1.275 -9.679 1.00 0.00 O ATOM 352 CB ASP A 22 7.960 -3.775 -8.243 1.00 0.00 C ATOM 353 CG ASP A 22 6.464 -3.723 -7.959 1.00 0.00 C ATOM 354 OD1 ASP A 22 5.785 -2.830 -8.468 1.00 0.00 O ATOM 355 OD2 ASP A 22 5.960 -4.555 -7.194 1.00 0.00 O ATOM 0 H ASP A 22 7.344 -2.353 -6.100 1.00 0.00 H new ATOM 0 HA ASP A 22 9.802 -2.785 -7.680 1.00 0.00 H new ATOM 0 HB2 ASP A 22 8.116 -3.818 -9.321 1.00 0.00 H new ATOM 0 HB3 ASP A 22 8.370 -4.694 -7.825 1.00 0.00 H new ATOM 360 N GLY A 23 7.810 -0.339 -8.012 1.00 0.00 N ATOM 361 CA GLY A 23 7.566 0.922 -8.701 1.00 0.00 C ATOM 362 C GLY A 23 6.630 0.824 -9.908 1.00 0.00 C ATOM 363 O GLY A 23 6.866 1.509 -10.903 1.00 0.00 O ATOM 0 H GLY A 23 7.390 -0.390 -7.084 1.00 0.00 H new ATOM 0 HA2 GLY A 23 7.145 1.633 -7.990 1.00 0.00 H new ATOM 0 HA3 GLY A 23 8.521 1.330 -9.032 1.00 0.00 H new ATOM 367 N ASN A 24 5.582 -0.007 -9.846 1.00 0.00 N ATOM 368 CA ASN A 24 4.662 -0.134 -10.991 1.00 0.00 C ATOM 369 C ASN A 24 3.413 0.745 -10.831 1.00 0.00 C ATOM 370 O ASN A 24 2.722 1.031 -11.812 1.00 0.00 O ATOM 371 CB ASN A 24 4.236 -1.601 -11.236 1.00 0.00 C ATOM 372 CG ASN A 24 3.216 -2.144 -10.233 1.00 0.00 C ATOM 373 OD1 ASN A 24 3.247 -1.832 -9.040 1.00 0.00 O ATOM 374 ND2 ASN A 24 2.294 -2.951 -10.711 1.00 0.00 N ATOM 0 H ASN A 24 5.351 -0.588 -9.040 1.00 0.00 H new ATOM 0 HA ASN A 24 5.221 0.214 -11.860 1.00 0.00 H new ATOM 0 HB2 ASN A 24 3.818 -1.681 -12.239 1.00 0.00 H new ATOM 0 HB3 ASN A 24 5.124 -2.233 -11.209 1.00 0.00 H new ATOM 0 HD21 ASN A 24 1.581 -3.335 -10.091 1.00 0.00 H new ATOM 0 HD22 ASN A 24 2.292 -3.193 -11.702 1.00 0.00 H new ATOM 381 N GLY A 25 3.129 1.172 -9.602 1.00 0.00 N ATOM 382 CA GLY A 25 1.940 1.961 -9.349 1.00 0.00 C ATOM 383 C GLY A 25 0.847 1.187 -8.628 1.00 0.00 C ATOM 384 O GLY A 25 -0.285 1.643 -8.588 1.00 0.00 O ATOM 0 H GLY A 25 3.702 0.984 -8.779 1.00 0.00 H new ATOM 0 HA2 GLY A 25 2.211 2.833 -8.754 1.00 0.00 H new ATOM 0 HA3 GLY A 25 1.549 2.331 -10.297 1.00 0.00 H new ATOM 388 N TYR A 26 1.191 0.024 -8.059 1.00 0.00 N ATOM 389 CA TYR A 26 0.264 -0.798 -7.262 1.00 0.00 C ATOM 390 C TYR A 26 0.989 -1.435 -6.073 1.00 0.00 C ATOM 391 O TYR A 26 2.037 -2.063 -6.244 1.00 0.00 O ATOM 392 CB TYR A 26 -0.363 -1.937 -8.093 1.00 0.00 C ATOM 393 CG TYR A 26 -1.377 -1.502 -9.127 1.00 0.00 C ATOM 394 CD1 TYR A 26 -2.722 -1.403 -8.803 1.00 0.00 C ATOM 395 CD2 TYR A 26 -0.991 -1.190 -10.423 1.00 0.00 C ATOM 396 CE1 TYR A 26 -3.652 -1.006 -9.740 1.00 0.00 C ATOM 397 CE2 TYR A 26 -1.911 -0.789 -11.362 1.00 0.00 C ATOM 398 CZ TYR A 26 -3.240 -0.700 -11.018 1.00 0.00 C ATOM 399 OH TYR A 26 -4.161 -0.299 -11.956 1.00 0.00 O ATOM 0 H TYR A 26 2.125 -0.377 -8.138 1.00 0.00 H new ATOM 0 HA TYR A 26 -0.522 -0.125 -6.920 1.00 0.00 H new ATOM 0 HB2 TYR A 26 0.437 -2.478 -8.598 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -0.842 -2.640 -7.412 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -3.046 -1.641 -7.801 1.00 0.00 H new ATOM 0 HD2 TYR A 26 0.051 -1.264 -10.699 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -4.696 -0.935 -9.474 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -1.592 -0.545 -12.365 1.00 0.00 H new ATOM 0 HH TYR A 26 -3.706 -0.120 -12.806 1.00 0.00 H new ATOM 409 N ILE A 27 0.419 -1.295 -4.885 1.00 0.00 N ATOM 410 CA ILE A 27 0.948 -1.923 -3.676 1.00 0.00 C ATOM 411 C ILE A 27 0.185 -3.218 -3.416 1.00 0.00 C ATOM 412 O ILE A 27 -1.019 -3.196 -3.164 1.00 0.00 O ATOM 413 CB ILE A 27 0.819 -1.000 -2.428 1.00 0.00 C ATOM 414 CG1 ILE A 27 1.438 0.371 -2.704 1.00 0.00 C ATOM 415 CG2 ILE A 27 1.487 -1.639 -1.205 1.00 0.00 C ATOM 416 CD1 ILE A 27 1.120 1.409 -1.649 1.00 0.00 C ATOM 0 H ILE A 27 -0.424 -0.743 -4.729 1.00 0.00 H new ATOM 0 HA ILE A 27 2.008 -2.117 -3.838 1.00 0.00 H new ATOM 0 HB ILE A 27 -0.242 -0.870 -2.217 1.00 0.00 H new ATOM 0 HG12 ILE A 27 2.520 0.262 -2.779 1.00 0.00 H new ATOM 0 HG13 ILE A 27 1.086 0.730 -3.671 1.00 0.00 H new ATOM 0 HG21 ILE A 27 1.384 -0.976 -0.346 1.00 0.00 H new ATOM 0 HG22 ILE A 27 1.008 -2.593 -0.986 1.00 0.00 H new ATOM 0 HG23 ILE A 27 2.545 -1.803 -1.412 1.00 0.00 H new ATOM 0 HD11 ILE A 27 1.593 2.354 -1.914 1.00 0.00 H new ATOM 0 HD12 ILE A 27 0.041 1.548 -1.589 1.00 0.00 H new ATOM 0 HD13 ILE A 27 1.497 1.073 -0.683 1.00 0.00 H new ATOM 428 N SER A 28 0.882 -4.333 -3.508 1.00 0.00 N ATOM 429 CA SER A 28 0.290 -5.631 -3.251 1.00 0.00 C ATOM 430 C SER A 28 0.438 -6.019 -1.774 1.00 0.00 C ATOM 431 O SER A 28 1.030 -5.277 -0.978 1.00 0.00 O ATOM 432 CB SER A 28 0.956 -6.677 -4.149 1.00 0.00 C ATOM 433 OG SER A 28 2.346 -6.760 -3.900 1.00 0.00 O ATOM 0 H SER A 28 1.869 -4.365 -3.762 1.00 0.00 H new ATOM 0 HA SER A 28 -0.775 -5.585 -3.476 1.00 0.00 H new ATOM 0 HB2 SER A 28 0.496 -7.650 -3.980 1.00 0.00 H new ATOM 0 HB3 SER A 28 0.787 -6.422 -5.195 1.00 0.00 H new ATOM 0 HG SER A 28 2.807 -6.037 -4.374 1.00 0.00 H new ATOM 439 N ALA A 29 -0.104 -7.190 -1.420 1.00 0.00 N ATOM 440 CA ALA A 29 0.004 -7.733 -0.068 1.00 0.00 C ATOM 441 C ALA A 29 1.446 -8.125 0.292 1.00 0.00 C ATOM 442 O ALA A 29 1.816 -8.090 1.454 1.00 0.00 O ATOM 443 CB ALA A 29 -0.924 -8.926 0.092 1.00 0.00 C ATOM 0 H ALA A 29 -0.628 -7.784 -2.063 1.00 0.00 H new ATOM 0 HA ALA A 29 -0.295 -6.945 0.623 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -0.835 -9.323 1.103 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -1.953 -8.613 -0.086 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -0.650 -9.699 -0.626 1.00 0.00 H new ATOM 449 N ALA A 30 2.262 -8.474 -0.702 1.00 0.00 N ATOM 450 CA ALA A 30 3.664 -8.802 -0.452 1.00 0.00 C ATOM 451 C ALA A 30 4.507 -7.539 -0.238 1.00 0.00 C ATOM 452 O ALA A 30 5.501 -7.563 0.494 1.00 0.00 O ATOM 453 CB ALA A 30 4.222 -9.625 -1.598 1.00 0.00 C ATOM 0 H ALA A 30 1.979 -8.537 -1.680 1.00 0.00 H new ATOM 0 HA ALA A 30 3.713 -9.391 0.464 1.00 0.00 H new ATOM 0 HB1 ALA A 30 5.267 -9.863 -1.400 1.00 0.00 H new ATOM 0 HB2 ALA A 30 3.651 -10.549 -1.694 1.00 0.00 H new ATOM 0 HB3 ALA A 30 4.149 -9.055 -2.524 1.00 0.00 H new ATOM 459 N GLU A 31 4.090 -6.432 -0.858 1.00 0.00 N ATOM 460 CA GLU A 31 4.827 -5.169 -0.786 1.00 0.00 C ATOM 461 C GLU A 31 4.587 -4.441 0.532 1.00 0.00 C ATOM 462 O GLU A 31 5.539 -3.968 1.157 1.00 0.00 O ATOM 463 CB GLU A 31 4.455 -4.278 -1.964 1.00 0.00 C ATOM 464 CG GLU A 31 4.937 -4.821 -3.290 1.00 0.00 C ATOM 465 CD GLU A 31 4.446 -4.001 -4.448 1.00 0.00 C ATOM 466 OE1 GLU A 31 5.106 -3.042 -4.820 1.00 0.00 O ATOM 467 OE2 GLU A 31 3.397 -4.322 -5.013 1.00 0.00 O ATOM 0 H GLU A 31 3.240 -6.386 -1.419 1.00 0.00 H new ATOM 0 HA GLU A 31 5.890 -5.404 -0.835 1.00 0.00 H new ATOM 0 HB2 GLU A 31 3.372 -4.162 -1.997 1.00 0.00 H new ATOM 0 HB3 GLU A 31 4.877 -3.285 -1.809 1.00 0.00 H new ATOM 0 HG2 GLU A 31 6.027 -4.843 -3.298 1.00 0.00 H new ATOM 0 HG3 GLU A 31 4.597 -5.850 -3.405 1.00 0.00 H new ATOM 474 N LEU A 32 3.321 -4.386 0.966 1.00 0.00 N ATOM 475 CA LEU A 32 2.959 -3.762 2.244 1.00 0.00 C ATOM 476 C LEU A 32 3.519 -4.578 3.418 1.00 0.00 C ATOM 477 O LEU A 32 3.958 -4.004 4.407 1.00 0.00 O ATOM 478 CB LEU A 32 1.430 -3.625 2.362 1.00 0.00 C ATOM 479 CG LEU A 32 0.920 -2.871 3.604 1.00 0.00 C ATOM 480 CD1 LEU A 32 1.294 -1.403 3.535 1.00 0.00 C ATOM 481 CD2 LEU A 32 -0.582 -3.016 3.754 1.00 0.00 C ATOM 0 H LEU A 32 2.529 -4.767 0.449 1.00 0.00 H new ATOM 0 HA LEU A 32 3.398 -2.765 2.278 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.060 -3.115 1.473 1.00 0.00 H new ATOM 0 HB3 LEU A 32 0.993 -4.624 2.361 1.00 0.00 H new ATOM 0 HG LEU A 32 1.398 -3.315 4.477 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.923 -0.891 4.423 1.00 0.00 H new ATOM 0 HD12 LEU A 32 2.379 -1.306 3.486 1.00 0.00 H new ATOM 0 HD13 LEU A 32 0.849 -0.956 2.646 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -0.913 -2.473 4.639 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -1.077 -2.609 2.872 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -0.837 -4.071 3.858 1.00 0.00 H new ATOM 493 N ARG A 33 3.538 -5.912 3.263 1.00 0.00 N ATOM 494 CA ARG A 33 4.099 -6.841 4.261 1.00 0.00 C ATOM 495 C ARG A 33 5.578 -6.558 4.524 1.00 0.00 C ATOM 496 O ARG A 33 6.006 -6.503 5.676 1.00 0.00 O ATOM 497 CB ARG A 33 3.922 -8.268 3.744 1.00 0.00 C ATOM 498 CG ARG A 33 4.387 -9.379 4.669 1.00 0.00 C ATOM 499 CD ARG A 33 4.211 -10.717 3.973 1.00 0.00 C ATOM 500 NE ARG A 33 4.785 -11.846 4.712 1.00 0.00 N ATOM 501 CZ ARG A 33 5.762 -12.632 4.234 1.00 0.00 C ATOM 502 NH1 ARG A 33 6.385 -12.327 3.088 1.00 0.00 N ATOM 503 NH2 ARG A 33 6.129 -13.714 4.911 1.00 0.00 N ATOM 0 H ARG A 33 3.163 -6.380 2.438 1.00 0.00 H new ATOM 0 HA ARG A 33 3.571 -6.708 5.205 1.00 0.00 H new ATOM 0 HB2 ARG A 33 2.866 -8.424 3.525 1.00 0.00 H new ATOM 0 HB3 ARG A 33 4.460 -8.360 2.801 1.00 0.00 H new ATOM 0 HG2 ARG A 33 5.433 -9.230 4.938 1.00 0.00 H new ATOM 0 HG3 ARG A 33 3.814 -9.360 5.596 1.00 0.00 H new ATOM 0 HD2 ARG A 33 3.147 -10.899 3.818 1.00 0.00 H new ATOM 0 HD3 ARG A 33 4.673 -10.667 2.987 1.00 0.00 H new ATOM 0 HE ARG A 33 4.420 -12.045 5.644 1.00 0.00 H new ATOM 0 HH11 ARG A 33 6.118 -11.490 2.569 1.00 0.00 H new ATOM 0 HH12 ARG A 33 7.126 -12.932 2.734 1.00 0.00 H new ATOM 0 HH21 ARG A 33 5.669 -13.945 5.791 1.00 0.00 H new ATOM 0 HH22 ARG A 33 6.871 -14.314 4.551 1.00 0.00 H new ATOM 517 N HIS A 34 6.331 -6.333 3.441 1.00 0.00 N ATOM 518 CA HIS A 34 7.771 -6.104 3.504 1.00 0.00 C ATOM 519 C HIS A 34 8.098 -4.792 4.230 1.00 0.00 C ATOM 520 O HIS A 34 8.996 -4.761 5.066 1.00 0.00 O ATOM 521 CB HIS A 34 8.350 -6.085 2.078 1.00 0.00 C ATOM 522 CG HIS A 34 9.851 -6.175 1.986 1.00 0.00 C ATOM 523 ND1 HIS A 34 10.518 -7.336 1.668 1.00 0.00 N ATOM 524 CD2 HIS A 34 10.812 -5.230 2.154 1.00 0.00 C ATOM 525 CE1 HIS A 34 11.818 -7.105 1.639 1.00 0.00 C ATOM 526 NE2 HIS A 34 12.020 -5.837 1.931 1.00 0.00 N ATOM 0 H HIS A 34 5.953 -6.305 2.494 1.00 0.00 H new ATOM 0 HA HIS A 34 8.225 -6.916 4.072 1.00 0.00 H new ATOM 0 HB2 HIS A 34 7.919 -6.915 1.518 1.00 0.00 H new ATOM 0 HB3 HIS A 34 8.028 -5.167 1.586 1.00 0.00 H new ATOM 0 HD2 HIS A 34 10.654 -4.194 2.415 1.00 0.00 H new ATOM 0 HE1 HIS A 34 12.584 -7.832 1.414 1.00 0.00 H new ATOM 0 HE2 HIS A 34 12.930 -5.380 1.983 1.00 0.00 H new ATOM 535 N VAL A 35 7.356 -3.729 3.916 1.00 0.00 N ATOM 536 CA VAL A 35 7.672 -2.390 4.423 1.00 0.00 C ATOM 537 C VAL A 35 7.183 -2.203 5.866 1.00 0.00 C ATOM 538 O VAL A 35 7.825 -1.505 6.641 1.00 0.00 O ATOM 539 CB VAL A 35 7.109 -1.281 3.487 1.00 0.00 C ATOM 540 CG1 VAL A 35 7.544 0.113 3.924 1.00 0.00 C ATOM 541 CG2 VAL A 35 7.560 -1.529 2.058 1.00 0.00 C ATOM 0 H VAL A 35 6.533 -3.768 3.314 1.00 0.00 H new ATOM 0 HA VAL A 35 8.758 -2.294 4.432 1.00 0.00 H new ATOM 0 HB VAL A 35 6.022 -1.326 3.548 1.00 0.00 H new ATOM 0 HG11 VAL A 35 7.128 0.855 3.242 1.00 0.00 H new ATOM 0 HG12 VAL A 35 7.184 0.307 4.934 1.00 0.00 H new ATOM 0 HG13 VAL A 35 8.632 0.176 3.909 1.00 0.00 H new ATOM 0 HG21 VAL A 35 7.161 -0.748 1.410 1.00 0.00 H new ATOM 0 HG22 VAL A 35 8.649 -1.517 2.013 1.00 0.00 H new ATOM 0 HG23 VAL A 35 7.194 -2.500 1.724 1.00 0.00 H new ATOM 551 N MET A 36 6.083 -2.869 6.233 1.00 0.00 N ATOM 552 CA MET A 36 5.599 -2.867 7.626 1.00 0.00 C ATOM 553 C MET A 36 6.594 -3.547 8.557 1.00 0.00 C ATOM 554 O MET A 36 6.893 -3.039 9.632 1.00 0.00 O ATOM 555 CB MET A 36 4.258 -3.576 7.738 1.00 0.00 C ATOM 556 CG MET A 36 3.087 -2.769 7.224 1.00 0.00 C ATOM 557 SD MET A 36 2.722 -1.344 8.252 1.00 0.00 S ATOM 558 CE MET A 36 1.279 -0.722 7.410 1.00 0.00 C ATOM 0 H MET A 36 5.510 -3.416 5.591 1.00 0.00 H new ATOM 0 HA MET A 36 5.485 -1.824 7.922 1.00 0.00 H new ATOM 0 HB2 MET A 36 4.308 -4.515 7.186 1.00 0.00 H new ATOM 0 HB3 MET A 36 4.080 -3.830 8.783 1.00 0.00 H new ATOM 0 HG2 MET A 36 3.300 -2.434 6.209 1.00 0.00 H new ATOM 0 HG3 MET A 36 2.206 -3.409 7.171 1.00 0.00 H new ATOM 0 HE1 MET A 36 0.706 -0.089 8.088 1.00 0.00 H new ATOM 0 HE2 MET A 36 1.587 -0.138 6.543 1.00 0.00 H new ATOM 0 HE3 MET A 36 0.660 -1.558 7.084 1.00 0.00 H new ATOM 568 N THR A 37 7.117 -4.690 8.108 1.00 0.00 N ATOM 569 CA THR A 37 8.157 -5.437 8.830 1.00 0.00 C ATOM 570 C THR A 37 9.474 -4.630 8.904 1.00 0.00 C ATOM 571 O THR A 37 10.198 -4.693 9.901 1.00 0.00 O ATOM 572 CB THR A 37 8.381 -6.813 8.149 1.00 0.00 C ATOM 573 OG1 THR A 37 7.135 -7.519 8.098 1.00 0.00 O ATOM 574 CG2 THR A 37 9.404 -7.676 8.880 1.00 0.00 C ATOM 0 H THR A 37 6.833 -5.127 7.231 1.00 0.00 H new ATOM 0 HA THR A 37 7.822 -5.603 9.854 1.00 0.00 H new ATOM 0 HB THR A 37 8.770 -6.619 7.149 1.00 0.00 H new ATOM 0 HG1 THR A 37 6.640 -7.252 7.295 1.00 0.00 H new ATOM 0 HG21 THR A 37 9.519 -8.626 8.357 1.00 0.00 H new ATOM 0 HG22 THR A 37 10.363 -7.159 8.907 1.00 0.00 H new ATOM 0 HG23 THR A 37 9.062 -7.861 9.898 1.00 0.00 H new ATOM 582 N ASN A 38 9.730 -3.830 7.863 1.00 0.00 N ATOM 583 CA ASN A 38 10.896 -2.942 7.797 1.00 0.00 C ATOM 584 C ASN A 38 10.782 -1.777 8.800 1.00 0.00 C ATOM 585 O ASN A 38 11.784 -1.341 9.368 1.00 0.00 O ATOM 586 CB ASN A 38 11.048 -2.435 6.349 1.00 0.00 C ATOM 587 CG ASN A 38 12.118 -1.374 6.160 1.00 0.00 C ATOM 588 OD1 ASN A 38 13.298 -1.687 6.035 1.00 0.00 O ATOM 589 ND2 ASN A 38 11.701 -0.118 6.084 1.00 0.00 N ATOM 0 H ASN A 38 9.131 -3.780 7.039 1.00 0.00 H new ATOM 0 HA ASN A 38 11.790 -3.498 8.080 1.00 0.00 H new ATOM 0 HB2 ASN A 38 11.277 -3.283 5.703 1.00 0.00 H new ATOM 0 HB3 ASN A 38 10.092 -2.031 6.017 1.00 0.00 H new ATOM 0 HD21 ASN A 38 12.371 0.632 5.916 1.00 0.00 H new ATOM 0 HD22 ASN A 38 10.710 0.098 6.194 1.00 0.00 H new ATOM 596 N LEU A 39 9.553 -1.310 9.043 1.00 0.00 N ATOM 597 CA LEU A 39 9.302 -0.214 9.986 1.00 0.00 C ATOM 598 C LEU A 39 9.271 -0.708 11.439 1.00 0.00 C ATOM 599 O LEU A 39 9.297 0.099 12.371 1.00 0.00 O ATOM 600 CB LEU A 39 7.977 0.490 9.650 1.00 0.00 C ATOM 601 CG LEU A 39 7.923 1.178 8.281 1.00 0.00 C ATOM 602 CD1 LEU A 39 6.517 1.671 7.990 1.00 0.00 C ATOM 603 CD2 LEU A 39 8.915 2.332 8.212 1.00 0.00 C ATOM 0 H LEU A 39 8.712 -1.676 8.597 1.00 0.00 H new ATOM 0 HA LEU A 39 10.125 0.493 9.887 1.00 0.00 H new ATOM 0 HB2 LEU A 39 7.173 -0.244 9.700 1.00 0.00 H new ATOM 0 HB3 LEU A 39 7.776 1.235 10.420 1.00 0.00 H new ATOM 0 HG LEU A 39 8.200 0.446 7.523 1.00 0.00 H new ATOM 0 HD11 LEU A 39 6.496 2.157 7.014 1.00 0.00 H new ATOM 0 HD12 LEU A 39 5.828 0.826 7.989 1.00 0.00 H new ATOM 0 HD13 LEU A 39 6.216 2.384 8.757 1.00 0.00 H new ATOM 0 HD21 LEU A 39 8.857 2.803 7.231 1.00 0.00 H new ATOM 0 HD22 LEU A 39 8.674 3.065 8.982 1.00 0.00 H new ATOM 0 HD23 LEU A 39 9.925 1.954 8.374 1.00 0.00 H new ATOM 615 N GLY A 40 9.212 -2.030 11.623 1.00 0.00 N ATOM 616 CA GLY A 40 9.202 -2.608 12.957 1.00 0.00 C ATOM 617 C GLY A 40 7.820 -3.035 13.403 1.00 0.00 C ATOM 618 O GLY A 40 7.656 -3.590 14.488 1.00 0.00 O ATOM 0 H GLY A 40 9.171 -2.712 10.865 1.00 0.00 H new ATOM 0 HA2 GLY A 40 9.868 -3.471 12.979 1.00 0.00 H new ATOM 0 HA3 GLY A 40 9.599 -1.881 13.666 1.00 0.00 H new ATOM 622 N GLU A 41 6.833 -2.790 12.552 1.00 0.00 N ATOM 623 CA GLU A 41 5.441 -3.109 12.853 1.00 0.00 C ATOM 624 C GLU A 41 5.125 -4.579 12.575 1.00 0.00 C ATOM 625 O GLU A 41 4.171 -5.107 13.137 1.00 0.00 O ATOM 626 CB GLU A 41 4.522 -2.205 12.038 1.00 0.00 C ATOM 627 CG GLU A 41 4.665 -0.733 12.389 1.00 0.00 C ATOM 628 CD GLU A 41 3.845 0.166 11.495 1.00 0.00 C ATOM 629 OE1 GLU A 41 2.664 0.407 11.806 1.00 0.00 O ATOM 630 OE2 GLU A 41 4.391 0.654 10.491 1.00 0.00 O ATOM 0 H GLU A 41 6.972 -2.365 11.635 1.00 0.00 H new ATOM 0 HA GLU A 41 5.274 -2.936 13.916 1.00 0.00 H new ATOM 0 HB2 GLU A 41 4.736 -2.341 10.978 1.00 0.00 H new ATOM 0 HB3 GLU A 41 3.488 -2.511 12.197 1.00 0.00 H new ATOM 0 HG2 GLU A 41 4.363 -0.581 13.425 1.00 0.00 H new ATOM 0 HG3 GLU A 41 5.715 -0.448 12.318 1.00 0.00 H new ATOM 637 N LYS A 42 5.974 -5.206 11.725 1.00 0.00 N ATOM 638 CA LYS A 42 5.930 -6.640 11.332 1.00 0.00 C ATOM 639 C LYS A 42 4.510 -7.200 11.131 1.00 0.00 C ATOM 640 O LYS A 42 4.001 -8.009 11.917 1.00 0.00 O ATOM 641 CB LYS A 42 6.796 -7.536 12.255 1.00 0.00 C ATOM 642 CG LYS A 42 6.538 -7.410 13.752 1.00 0.00 C ATOM 643 CD LYS A 42 7.469 -8.298 14.541 1.00 0.00 C ATOM 644 CE LYS A 42 7.265 -8.142 16.039 1.00 0.00 C ATOM 645 NZ LYS A 42 8.216 -8.988 16.803 1.00 0.00 N ATOM 0 H LYS A 42 6.741 -4.707 11.274 1.00 0.00 H new ATOM 0 HA LYS A 42 6.384 -6.671 10.342 1.00 0.00 H new ATOM 0 HB2 LYS A 42 6.640 -8.576 11.967 1.00 0.00 H new ATOM 0 HB3 LYS A 42 7.845 -7.307 12.068 1.00 0.00 H new ATOM 0 HG2 LYS A 42 6.671 -6.373 14.061 1.00 0.00 H new ATOM 0 HG3 LYS A 42 5.504 -7.678 13.970 1.00 0.00 H new ATOM 0 HD2 LYS A 42 7.305 -9.338 14.258 1.00 0.00 H new ATOM 0 HD3 LYS A 42 8.502 -8.058 14.288 1.00 0.00 H new ATOM 0 HE2 LYS A 42 7.398 -7.097 16.320 1.00 0.00 H new ATOM 0 HE3 LYS A 42 6.242 -8.414 16.299 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 8.053 -8.860 17.822 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 8.071 -9.987 16.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 9.191 -8.710 16.571 1.00 0.00 H new ATOM 659 N LEU A 43 3.882 -6.730 10.071 1.00 0.00 N ATOM 660 CA LEU A 43 2.513 -7.090 9.755 1.00 0.00 C ATOM 661 C LEU A 43 2.511 -8.399 8.968 1.00 0.00 C ATOM 662 O LEU A 43 3.200 -8.507 7.947 1.00 0.00 O ATOM 663 CB LEU A 43 1.885 -5.956 8.936 1.00 0.00 C ATOM 664 CG LEU A 43 0.412 -5.652 9.196 1.00 0.00 C ATOM 665 CD1 LEU A 43 0.206 -5.154 10.619 1.00 0.00 C ATOM 666 CD2 LEU A 43 -0.094 -4.620 8.201 1.00 0.00 C ATOM 0 H LEU A 43 4.307 -6.087 9.403 1.00 0.00 H new ATOM 0 HA LEU A 43 1.930 -7.233 10.665 1.00 0.00 H new ATOM 0 HB2 LEU A 43 2.457 -5.047 9.121 1.00 0.00 H new ATOM 0 HB3 LEU A 43 2.001 -6.196 7.879 1.00 0.00 H new ATOM 0 HG LEU A 43 -0.156 -6.574 9.070 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -0.851 -4.944 10.781 1.00 0.00 H new ATOM 0 HD12 LEU A 43 0.536 -5.918 11.323 1.00 0.00 H new ATOM 0 HD13 LEU A 43 0.785 -4.243 10.773 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -1.146 -4.411 8.396 1.00 0.00 H new ATOM 0 HD22 LEU A 43 0.483 -3.701 8.304 1.00 0.00 H new ATOM 0 HD23 LEU A 43 0.017 -5.006 7.188 1.00 0.00 H new ATOM 678 N THR A 44 1.771 -9.394 9.460 1.00 0.00 N ATOM 679 CA THR A 44 1.728 -10.715 8.826 1.00 0.00 C ATOM 680 C THR A 44 0.765 -10.720 7.642 1.00 0.00 C ATOM 681 O THR A 44 0.072 -9.735 7.423 1.00 0.00 O ATOM 682 CB THR A 44 1.325 -11.820 9.829 1.00 0.00 C ATOM 683 OG1 THR A 44 0.045 -11.541 10.406 1.00 0.00 O ATOM 684 CG2 THR A 44 2.365 -11.959 10.927 1.00 0.00 C ATOM 0 H THR A 44 1.193 -9.311 10.296 1.00 0.00 H new ATOM 0 HA THR A 44 2.735 -10.929 8.469 1.00 0.00 H new ATOM 0 HB THR A 44 1.266 -12.760 9.281 1.00 0.00 H new ATOM 0 HG1 THR A 44 -0.599 -12.221 10.118 1.00 0.00 H new ATOM 0 HG21 THR A 44 2.059 -12.742 11.621 1.00 0.00 H new ATOM 0 HG22 THR A 44 3.327 -12.220 10.486 1.00 0.00 H new ATOM 0 HG23 THR A 44 2.456 -11.015 11.464 1.00 0.00 H new ATOM 692 N ASP A 45 0.714 -11.845 6.915 1.00 0.00 N ATOM 693 CA ASP A 45 -0.062 -11.966 5.663 1.00 0.00 C ATOM 694 C ASP A 45 -1.551 -11.635 5.837 1.00 0.00 C ATOM 695 O ASP A 45 -2.143 -10.983 4.977 1.00 0.00 O ATOM 696 CB ASP A 45 0.070 -13.384 5.088 1.00 0.00 C ATOM 697 CG ASP A 45 1.468 -13.703 4.598 1.00 0.00 C ATOM 698 OD1 ASP A 45 1.778 -13.413 3.429 1.00 0.00 O ATOM 699 OD2 ASP A 45 2.262 -14.258 5.385 1.00 0.00 O ATOM 0 H ASP A 45 1.208 -12.699 7.174 1.00 0.00 H new ATOM 0 HA ASP A 45 0.359 -11.232 4.976 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -0.213 -14.107 5.853 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -0.633 -13.501 4.263 1.00 0.00 H new ATOM 704 N GLU A 46 -2.135 -12.052 6.963 1.00 0.00 N ATOM 705 CA GLU A 46 -3.560 -11.842 7.238 1.00 0.00 C ATOM 706 C GLU A 46 -3.840 -10.386 7.622 1.00 0.00 C ATOM 707 O GLU A 46 -4.878 -9.826 7.260 1.00 0.00 O ATOM 708 CB GLU A 46 -4.045 -12.753 8.378 1.00 0.00 C ATOM 709 CG GLU A 46 -3.476 -14.167 8.374 1.00 0.00 C ATOM 710 CD GLU A 46 -2.313 -14.317 9.338 1.00 0.00 C ATOM 711 OE1 GLU A 46 -1.159 -14.026 8.951 1.00 0.00 O ATOM 712 OE2 GLU A 46 -2.558 -14.703 10.491 1.00 0.00 O ATOM 0 H GLU A 46 -1.637 -12.542 7.706 1.00 0.00 H new ATOM 0 HA GLU A 46 -4.099 -12.087 6.323 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -3.794 -12.282 9.328 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -5.132 -12.817 8.331 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -4.261 -14.874 8.641 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -3.147 -14.422 7.367 1.00 0.00 H new ATOM 719 N GLU A 47 -2.894 -9.785 8.346 1.00 0.00 N ATOM 720 CA GLU A 47 -3.023 -8.410 8.829 1.00 0.00 C ATOM 721 C GLU A 47 -2.848 -7.413 7.682 1.00 0.00 C ATOM 722 O GLU A 47 -3.528 -6.387 7.633 1.00 0.00 O ATOM 723 CB GLU A 47 -1.983 -8.120 9.913 1.00 0.00 C ATOM 724 CG GLU A 47 -2.020 -9.064 11.102 1.00 0.00 C ATOM 725 CD GLU A 47 -3.305 -8.990 11.893 1.00 0.00 C ATOM 726 OE1 GLU A 47 -3.437 -8.092 12.745 1.00 0.00 O ATOM 727 OE2 GLU A 47 -4.184 -9.837 11.671 1.00 0.00 O ATOM 0 H GLU A 47 -2.019 -10.237 8.613 1.00 0.00 H new ATOM 0 HA GLU A 47 -4.022 -8.298 9.250 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -0.990 -8.162 9.465 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -2.128 -7.101 10.272 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -1.879 -10.085 10.749 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -1.183 -8.836 11.762 1.00 0.00 H new ATOM 734 N VAL A 48 -1.923 -7.740 6.768 1.00 0.00 N ATOM 735 CA VAL A 48 -1.663 -6.946 5.567 1.00 0.00 C ATOM 736 C VAL A 48 -2.866 -6.981 4.629 1.00 0.00 C ATOM 737 O VAL A 48 -3.217 -5.963 4.057 1.00 0.00 O ATOM 738 CB VAL A 48 -0.390 -7.444 4.816 1.00 0.00 C ATOM 739 CG1 VAL A 48 -0.190 -6.737 3.490 1.00 0.00 C ATOM 740 CG2 VAL A 48 0.842 -7.237 5.660 1.00 0.00 C ATOM 0 H VAL A 48 -1.333 -8.568 6.845 1.00 0.00 H new ATOM 0 HA VAL A 48 -1.489 -5.919 5.887 1.00 0.00 H new ATOM 0 HB VAL A 48 -0.543 -8.506 4.624 1.00 0.00 H new ATOM 0 HG11 VAL A 48 0.709 -7.119 3.006 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -1.052 -6.917 2.848 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -0.083 -5.666 3.661 1.00 0.00 H new ATOM 0 HG21 VAL A 48 1.718 -7.591 5.117 1.00 0.00 H new ATOM 0 HG22 VAL A 48 0.957 -6.176 5.882 1.00 0.00 H new ATOM 0 HG23 VAL A 48 0.743 -7.794 6.592 1.00 0.00 H new ATOM 750 N ASP A 49 -3.500 -8.158 4.515 1.00 0.00 N ATOM 751 CA ASP A 49 -4.691 -8.350 3.672 1.00 0.00 C ATOM 752 C ASP A 49 -5.825 -7.387 4.042 1.00 0.00 C ATOM 753 O ASP A 49 -6.458 -6.797 3.162 1.00 0.00 O ATOM 754 CB ASP A 49 -5.178 -9.797 3.798 1.00 0.00 C ATOM 755 CG ASP A 49 -6.470 -10.059 3.042 1.00 0.00 C ATOM 756 OD1 ASP A 49 -6.429 -10.160 1.802 1.00 0.00 O ATOM 757 OD2 ASP A 49 -7.529 -10.180 3.693 1.00 0.00 O ATOM 0 H ASP A 49 -3.202 -9.002 5.004 1.00 0.00 H new ATOM 0 HA ASP A 49 -4.406 -8.136 2.642 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -4.404 -10.468 3.426 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -5.326 -10.034 4.852 1.00 0.00 H new ATOM 762 N GLU A 50 -6.033 -7.202 5.346 1.00 0.00 N ATOM 763 CA GLU A 50 -7.101 -6.348 5.851 1.00 0.00 C ATOM 764 C GLU A 50 -6.746 -4.861 5.732 1.00 0.00 C ATOM 765 O GLU A 50 -7.633 -4.030 5.588 1.00 0.00 O ATOM 766 CB GLU A 50 -7.446 -6.737 7.290 1.00 0.00 C ATOM 767 CG GLU A 50 -7.915 -8.185 7.407 1.00 0.00 C ATOM 768 CD GLU A 50 -8.430 -8.556 8.784 1.00 0.00 C ATOM 769 OE1 GLU A 50 -9.551 -8.140 9.141 1.00 0.00 O ATOM 770 OE2 GLU A 50 -7.724 -9.285 9.506 1.00 0.00 O ATOM 0 H GLU A 50 -5.468 -7.638 6.075 1.00 0.00 H new ATOM 0 HA GLU A 50 -7.985 -6.503 5.233 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -6.571 -6.590 7.923 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -8.226 -6.074 7.665 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -8.704 -8.361 6.676 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -7.088 -8.846 7.149 1.00 0.00 H new ATOM 777 N MET A 51 -5.450 -4.536 5.741 1.00 0.00 N ATOM 778 CA MET A 51 -4.996 -3.159 5.503 1.00 0.00 C ATOM 779 C MET A 51 -5.064 -2.807 4.014 1.00 0.00 C ATOM 780 O MET A 51 -5.331 -1.654 3.662 1.00 0.00 O ATOM 781 CB MET A 51 -3.567 -2.959 6.015 1.00 0.00 C ATOM 782 CG MET A 51 -3.434 -3.028 7.527 1.00 0.00 C ATOM 783 SD MET A 51 -4.373 -1.749 8.387 1.00 0.00 S ATOM 784 CE MET A 51 -3.526 -0.269 7.835 1.00 0.00 C ATOM 0 H MET A 51 -4.698 -5.204 5.910 1.00 0.00 H new ATOM 0 HA MET A 51 -5.664 -2.495 6.051 1.00 0.00 H new ATOM 0 HB2 MET A 51 -2.923 -3.718 5.569 1.00 0.00 H new ATOM 0 HB3 MET A 51 -3.202 -1.991 5.673 1.00 0.00 H new ATOM 0 HG2 MET A 51 -3.769 -4.007 7.870 1.00 0.00 H new ATOM 0 HG3 MET A 51 -2.382 -2.939 7.796 1.00 0.00 H new ATOM 0 HE1 MET A 51 -3.793 0.566 8.483 1.00 0.00 H new ATOM 0 HE2 MET A 51 -2.449 -0.430 7.875 1.00 0.00 H new ATOM 0 HE3 MET A 51 -3.821 -0.042 6.811 1.00 0.00 H new ATOM 794 N ILE A 52 -4.824 -3.810 3.159 1.00 0.00 N ATOM 795 CA ILE A 52 -4.913 -3.664 1.704 1.00 0.00 C ATOM 796 C ILE A 52 -6.353 -3.371 1.278 1.00 0.00 C ATOM 797 O ILE A 52 -6.576 -2.426 0.545 1.00 0.00 O ATOM 798 CB ILE A 52 -4.352 -4.929 0.952 1.00 0.00 C ATOM 799 CG1 ILE A 52 -2.810 -4.987 1.016 1.00 0.00 C ATOM 800 CG2 ILE A 52 -4.809 -4.999 -0.507 1.00 0.00 C ATOM 801 CD1 ILE A 52 -2.099 -3.793 0.399 1.00 0.00 C ATOM 0 H ILE A 52 -4.562 -4.748 3.461 1.00 0.00 H new ATOM 0 HA ILE A 52 -4.288 -2.817 1.421 1.00 0.00 H new ATOM 0 HB ILE A 52 -4.764 -5.793 1.473 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -2.507 -5.073 2.060 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -2.474 -5.893 0.511 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -4.393 -5.890 -0.976 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -5.897 -5.043 -0.546 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -4.463 -4.113 -1.040 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -1.021 -3.924 0.492 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -2.366 -3.715 -0.655 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -2.400 -2.883 0.917 1.00 0.00 H new ATOM 813 N ARG A 53 -7.317 -4.147 1.787 1.00 0.00 N ATOM 814 CA ARG A 53 -8.725 -4.001 1.387 1.00 0.00 C ATOM 815 C ARG A 53 -9.366 -2.717 1.950 1.00 0.00 C ATOM 816 O ARG A 53 -10.340 -2.212 1.382 1.00 0.00 O ATOM 817 CB ARG A 53 -9.541 -5.243 1.790 1.00 0.00 C ATOM 818 CG ARG A 53 -9.566 -5.531 3.286 1.00 0.00 C ATOM 819 CD ARG A 53 -10.317 -6.808 3.612 1.00 0.00 C ATOM 820 NE ARG A 53 -11.755 -6.699 3.338 1.00 0.00 N ATOM 821 CZ ARG A 53 -12.580 -7.741 3.182 1.00 0.00 C ATOM 822 NH1 ARG A 53 -12.111 -8.988 3.169 1.00 0.00 N ATOM 823 NH2 ARG A 53 -13.879 -7.526 3.005 1.00 0.00 N ATOM 0 H ARG A 53 -7.150 -4.881 2.475 1.00 0.00 H new ATOM 0 HA ARG A 53 -8.739 -3.913 0.301 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -10.566 -5.116 1.441 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -9.133 -6.112 1.273 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -8.544 -5.608 3.656 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -10.032 -4.695 3.807 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -9.900 -7.630 3.029 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -10.168 -7.055 4.663 1.00 0.00 H new ATOM 0 HE ARG A 53 -12.153 -5.763 3.261 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -11.111 -9.158 3.279 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -12.752 -9.773 3.049 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -14.241 -6.572 2.989 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -14.515 -8.315 2.885 1.00 0.00 H new ATOM 837 N GLU A 54 -8.800 -2.188 3.043 1.00 0.00 N ATOM 838 CA GLU A 54 -9.248 -0.925 3.626 1.00 0.00 C ATOM 839 C GLU A 54 -8.703 0.275 2.846 1.00 0.00 C ATOM 840 O GLU A 54 -9.354 1.312 2.765 1.00 0.00 O ATOM 841 CB GLU A 54 -8.822 -0.822 5.088 1.00 0.00 C ATOM 842 CG GLU A 54 -9.739 -1.549 6.049 1.00 0.00 C ATOM 843 CD GLU A 54 -9.316 -1.364 7.489 1.00 0.00 C ATOM 844 OE1 GLU A 54 -9.538 -0.267 8.039 1.00 0.00 O ATOM 845 OE2 GLU A 54 -8.776 -2.317 8.081 1.00 0.00 O ATOM 0 H GLU A 54 -8.024 -2.623 3.542 1.00 0.00 H new ATOM 0 HA GLU A 54 -10.336 -0.910 3.569 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -7.813 -1.222 5.191 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -8.778 0.230 5.370 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -10.759 -1.185 5.922 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -9.747 -2.612 5.808 1.00 0.00 H new ATOM 852 N ALA A 55 -7.514 0.116 2.266 1.00 0.00 N ATOM 853 CA ALA A 55 -6.905 1.161 1.442 1.00 0.00 C ATOM 854 C ALA A 55 -7.409 1.106 0.002 1.00 0.00 C ATOM 855 O ALA A 55 -7.317 2.085 -0.741 1.00 0.00 O ATOM 856 CB ALA A 55 -5.392 1.022 1.470 1.00 0.00 C ATOM 0 H ALA A 55 -6.951 -0.730 2.352 1.00 0.00 H new ATOM 0 HA ALA A 55 -7.191 2.127 1.857 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -4.944 1.802 0.855 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -5.037 1.119 2.496 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -5.109 0.045 1.079 1.00 0.00 H new ATOM 862 N ASP A 56 -7.964 -0.040 -0.370 1.00 0.00 N ATOM 863 CA ASP A 56 -8.371 -0.302 -1.734 1.00 0.00 C ATOM 864 C ASP A 56 -9.818 0.114 -1.956 1.00 0.00 C ATOM 865 O ASP A 56 -10.740 -0.369 -1.296 1.00 0.00 O ATOM 866 CB ASP A 56 -8.182 -1.780 -2.074 1.00 0.00 C ATOM 867 CG ASP A 56 -7.955 -1.985 -3.542 1.00 0.00 C ATOM 868 OD1 ASP A 56 -6.883 -1.650 -4.015 1.00 0.00 O ATOM 869 OD2 ASP A 56 -8.849 -2.442 -4.237 1.00 0.00 O ATOM 0 H ASP A 56 -8.143 -0.813 0.271 1.00 0.00 H new ATOM 0 HA ASP A 56 -7.740 0.290 -2.397 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -7.334 -2.177 -1.515 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -9.062 -2.341 -1.760 1.00 0.00 H new ATOM 874 N ILE A 57 -9.979 1.045 -2.879 1.00 0.00 N ATOM 875 CA ILE A 57 -11.268 1.634 -3.208 1.00 0.00 C ATOM 876 C ILE A 57 -12.085 0.712 -4.134 1.00 0.00 C ATOM 877 O ILE A 57 -13.269 0.465 -3.885 1.00 0.00 O ATOM 878 CB ILE A 57 -11.055 3.035 -3.864 1.00 0.00 C ATOM 879 CG1 ILE A 57 -10.257 3.953 -2.911 1.00 0.00 C ATOM 880 CG2 ILE A 57 -12.392 3.682 -4.239 1.00 0.00 C ATOM 881 CD1 ILE A 57 -9.856 5.283 -3.513 1.00 0.00 C ATOM 0 H ILE A 57 -9.207 1.420 -3.430 1.00 0.00 H new ATOM 0 HA ILE A 57 -11.838 1.757 -2.287 1.00 0.00 H new ATOM 0 HB ILE A 57 -10.484 2.897 -4.782 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -10.855 4.138 -2.019 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -9.358 3.428 -2.589 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -12.210 4.656 -4.693 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -12.919 3.044 -4.948 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -13.000 3.807 -3.343 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -9.300 5.863 -2.776 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -9.229 5.112 -4.388 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -10.750 5.833 -3.809 1.00 0.00 H new ATOM 893 N ASP A 58 -11.430 0.172 -5.164 1.00 0.00 N ATOM 894 CA ASP A 58 -12.130 -0.528 -6.258 1.00 0.00 C ATOM 895 C ASP A 58 -12.342 -2.037 -5.997 1.00 0.00 C ATOM 896 O ASP A 58 -13.114 -2.684 -6.707 1.00 0.00 O ATOM 897 CB ASP A 58 -11.355 -0.325 -7.584 1.00 0.00 C ATOM 898 CG ASP A 58 -9.886 -0.708 -7.502 1.00 0.00 C ATOM 899 OD1 ASP A 58 -9.577 -1.732 -6.916 1.00 0.00 O ATOM 900 OD2 ASP A 58 -9.018 0.038 -7.975 1.00 0.00 O ATOM 0 H ASP A 58 -10.416 0.203 -5.269 1.00 0.00 H new ATOM 0 HA ASP A 58 -13.125 -0.088 -6.323 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -11.832 -0.916 -8.366 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -11.432 0.721 -7.882 1.00 0.00 H new ATOM 905 N GLY A 59 -11.681 -2.574 -4.963 1.00 0.00 N ATOM 906 CA GLY A 59 -11.769 -3.997 -4.633 1.00 0.00 C ATOM 907 C GLY A 59 -11.061 -4.933 -5.623 1.00 0.00 C ATOM 908 O GLY A 59 -11.683 -5.861 -6.143 1.00 0.00 O ATOM 0 H GLY A 59 -11.077 -2.038 -4.339 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -11.345 -4.152 -3.641 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -12.821 -4.278 -4.577 1.00 0.00 H new ATOM 912 N ASP A 60 -9.769 -4.692 -5.895 1.00 0.00 N ATOM 913 CA ASP A 60 -8.973 -5.595 -6.752 1.00 0.00 C ATOM 914 C ASP A 60 -7.867 -6.314 -5.961 1.00 0.00 C ATOM 915 O ASP A 60 -7.312 -7.318 -6.421 1.00 0.00 O ATOM 916 CB ASP A 60 -8.344 -4.847 -7.963 1.00 0.00 C ATOM 917 CG ASP A 60 -7.489 -3.619 -7.601 1.00 0.00 C ATOM 918 OD1 ASP A 60 -7.094 -3.473 -6.456 1.00 0.00 O ATOM 919 OD2 ASP A 60 -7.265 -2.744 -8.447 1.00 0.00 O ATOM 0 H ASP A 60 -9.253 -3.887 -5.539 1.00 0.00 H new ATOM 0 HA ASP A 60 -9.672 -6.341 -7.130 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -7.725 -5.549 -8.522 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -9.146 -4.528 -8.629 1.00 0.00 H new ATOM 924 N GLY A 61 -7.563 -5.801 -4.765 1.00 0.00 N ATOM 925 CA GLY A 61 -6.509 -6.373 -3.938 1.00 0.00 C ATOM 926 C GLY A 61 -5.137 -5.726 -4.144 1.00 0.00 C ATOM 927 O GLY A 61 -4.155 -6.176 -3.552 1.00 0.00 O ATOM 0 H GLY A 61 -8.032 -4.994 -4.354 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -6.791 -6.277 -2.890 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -6.432 -7.439 -4.151 1.00 0.00 H new ATOM 931 N GLN A 62 -5.052 -4.701 -4.999 1.00 0.00 N ATOM 932 CA GLN A 62 -3.802 -3.949 -5.177 1.00 0.00 C ATOM 933 C GLN A 62 -4.104 -2.454 -5.117 1.00 0.00 C ATOM 934 O GLN A 62 -4.931 -1.928 -5.880 1.00 0.00 O ATOM 935 CB GLN A 62 -3.155 -4.219 -6.543 1.00 0.00 C ATOM 936 CG GLN A 62 -3.304 -5.647 -7.070 1.00 0.00 C ATOM 937 CD GLN A 62 -2.912 -5.809 -8.534 1.00 0.00 C ATOM 938 OE1 GLN A 62 -2.432 -6.863 -8.938 1.00 0.00 O ATOM 939 NE2 GLN A 62 -3.156 -4.795 -9.353 1.00 0.00 N ATOM 0 H GLN A 62 -5.827 -4.374 -5.576 1.00 0.00 H new ATOM 0 HA GLN A 62 -3.122 -4.266 -4.386 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -3.587 -3.534 -7.272 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -2.093 -3.984 -6.476 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -2.690 -6.313 -6.464 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -4.339 -5.964 -6.944 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -3.556 -3.930 -8.989 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -2.944 -4.880 -10.347 1.00 0.00 H new ATOM 948 N VAL A 63 -3.337 -1.762 -4.316 1.00 0.00 N ATOM 949 CA VAL A 63 -3.609 -0.381 -3.981 1.00 0.00 C ATOM 950 C VAL A 63 -2.788 0.530 -4.883 1.00 0.00 C ATOM 951 O VAL A 63 -1.579 0.655 -4.708 1.00 0.00 O ATOM 952 CB VAL A 63 -3.281 -0.111 -2.483 1.00 0.00 C ATOM 953 CG1 VAL A 63 -3.599 1.317 -2.076 1.00 0.00 C ATOM 954 CG2 VAL A 63 -4.025 -1.081 -1.576 1.00 0.00 C ATOM 0 H VAL A 63 -2.500 -2.139 -3.873 1.00 0.00 H new ATOM 0 HA VAL A 63 -4.668 -0.175 -4.137 1.00 0.00 H new ATOM 0 HB VAL A 63 -2.208 -0.264 -2.367 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -3.354 1.458 -1.023 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -3.011 2.007 -2.681 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -4.660 1.512 -2.231 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -3.777 -0.869 -0.536 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -5.099 -0.966 -1.724 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -3.732 -2.103 -1.818 1.00 0.00 H new ATOM 964 N ASN A 64 -3.443 1.158 -5.855 1.00 0.00 N ATOM 965 CA ASN A 64 -2.749 2.044 -6.780 1.00 0.00 C ATOM 966 C ASN A 64 -2.445 3.403 -6.129 1.00 0.00 C ATOM 967 O ASN A 64 -2.641 3.577 -4.921 1.00 0.00 O ATOM 968 CB ASN A 64 -3.526 2.201 -8.124 1.00 0.00 C ATOM 969 CG ASN A 64 -4.885 2.880 -8.032 1.00 0.00 C ATOM 970 OD1 ASN A 64 -5.131 3.682 -7.164 1.00 0.00 O ATOM 971 ND2 ASN A 64 -5.779 2.582 -8.954 1.00 0.00 N ATOM 0 H ASN A 64 -4.446 1.070 -6.021 1.00 0.00 H new ATOM 0 HA ASN A 64 -1.793 1.580 -7.023 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -2.904 2.769 -8.816 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -3.665 1.211 -8.559 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -6.695 3.031 -8.941 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -5.555 1.902 -9.681 1.00 0.00 H new ATOM 978 N TYR A 65 -1.978 4.355 -6.936 1.00 0.00 N ATOM 979 CA TYR A 65 -1.613 5.682 -6.450 1.00 0.00 C ATOM 980 C TYR A 65 -2.806 6.423 -5.810 1.00 0.00 C ATOM 981 O TYR A 65 -2.687 6.893 -4.683 1.00 0.00 O ATOM 982 CB TYR A 65 -0.983 6.503 -7.588 1.00 0.00 C ATOM 983 CG TYR A 65 -0.776 7.961 -7.245 1.00 0.00 C ATOM 984 CD1 TYR A 65 0.197 8.354 -6.334 1.00 0.00 C ATOM 985 CD2 TYR A 65 -1.582 8.940 -7.808 1.00 0.00 C ATOM 986 CE1 TYR A 65 0.351 9.681 -5.993 1.00 0.00 C ATOM 987 CE2 TYR A 65 -1.428 10.266 -7.478 1.00 0.00 C ATOM 988 CZ TYR A 65 -0.463 10.636 -6.571 1.00 0.00 C ATOM 989 OH TYR A 65 -0.331 11.965 -6.224 1.00 0.00 O ATOM 0 H TYR A 65 -1.843 4.228 -7.939 1.00 0.00 H new ATOM 0 HA TYR A 65 -0.875 5.556 -5.658 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -0.022 6.062 -7.853 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -1.620 6.433 -8.470 1.00 0.00 H new ATOM 0 HD1 TYR A 65 0.841 7.611 -5.887 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -2.344 8.655 -8.518 1.00 0.00 H new ATOM 0 HE1 TYR A 65 1.105 9.973 -5.277 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -2.063 11.014 -7.930 1.00 0.00 H new ATOM 0 HH TYR A 65 0.125 12.034 -5.359 1.00 0.00 H new ATOM 999 N GLU A 66 -3.948 6.485 -6.507 1.00 0.00 N ATOM 1000 CA GLU A 66 -5.114 7.249 -6.030 1.00 0.00 C ATOM 1001 C GLU A 66 -5.807 6.571 -4.834 1.00 0.00 C ATOM 1002 O GLU A 66 -6.441 7.246 -4.020 1.00 0.00 O ATOM 1003 CB GLU A 66 -6.118 7.503 -7.173 1.00 0.00 C ATOM 1004 CG GLU A 66 -6.601 6.261 -7.892 1.00 0.00 C ATOM 1005 CD GLU A 66 -7.550 6.558 -9.024 1.00 0.00 C ATOM 1006 OE1 GLU A 66 -7.080 6.756 -10.159 1.00 0.00 O ATOM 1007 OE2 GLU A 66 -8.770 6.583 -8.789 1.00 0.00 O ATOM 0 H GLU A 66 -4.092 6.017 -7.402 1.00 0.00 H new ATOM 0 HA GLU A 66 -4.739 8.211 -5.681 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -6.982 8.028 -6.766 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -5.655 8.169 -7.901 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -5.740 5.718 -8.282 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -7.095 5.604 -7.176 1.00 0.00 H new ATOM 1014 N GLU A 67 -5.650 5.247 -4.725 1.00 0.00 N ATOM 1015 CA GLU A 67 -6.192 4.470 -3.611 1.00 0.00 C ATOM 1016 C GLU A 67 -5.358 4.682 -2.345 1.00 0.00 C ATOM 1017 O GLU A 67 -5.891 4.712 -1.234 1.00 0.00 O ATOM 1018 CB GLU A 67 -6.241 2.984 -3.998 1.00 0.00 C ATOM 1019 CG GLU A 67 -7.263 2.690 -5.079 1.00 0.00 C ATOM 1020 CD GLU A 67 -7.324 1.234 -5.472 1.00 0.00 C ATOM 1021 OE1 GLU A 67 -6.382 0.706 -6.091 1.00 0.00 O ATOM 1022 OE2 GLU A 67 -8.329 0.592 -5.172 1.00 0.00 O ATOM 0 H GLU A 67 -5.142 4.686 -5.409 1.00 0.00 H new ATOM 0 HA GLU A 67 -7.205 4.811 -3.397 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -5.255 2.670 -4.342 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -6.474 2.391 -3.114 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -8.247 3.006 -4.733 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -7.029 3.286 -5.961 1.00 0.00 H new ATOM 1029 N PHE A 68 -4.050 4.863 -2.534 1.00 0.00 N ATOM 1030 CA PHE A 68 -3.133 5.128 -1.436 1.00 0.00 C ATOM 1031 C PHE A 68 -3.289 6.561 -0.928 1.00 0.00 C ATOM 1032 O PHE A 68 -3.309 6.775 0.278 1.00 0.00 O ATOM 1033 CB PHE A 68 -1.688 4.868 -1.880 1.00 0.00 C ATOM 1034 CG PHE A 68 -0.668 5.003 -0.779 1.00 0.00 C ATOM 1035 CD1 PHE A 68 -0.597 4.064 0.234 1.00 0.00 C ATOM 1036 CD2 PHE A 68 0.214 6.071 -0.761 1.00 0.00 C ATOM 1037 CE1 PHE A 68 0.334 4.186 1.246 1.00 0.00 C ATOM 1038 CE2 PHE A 68 1.144 6.197 0.248 1.00 0.00 C ATOM 1039 CZ PHE A 68 1.205 5.256 1.252 1.00 0.00 C ATOM 0 H PHE A 68 -3.603 4.829 -3.450 1.00 0.00 H new ATOM 0 HA PHE A 68 -3.375 4.452 -0.615 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -1.624 3.863 -2.298 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -1.435 5.563 -2.681 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -1.278 3.226 0.233 1.00 0.00 H new ATOM 0 HD2 PHE A 68 0.172 6.812 -1.545 1.00 0.00 H new ATOM 0 HE1 PHE A 68 0.380 3.446 2.031 1.00 0.00 H new ATOM 0 HE2 PHE A 68 1.826 7.035 0.252 1.00 0.00 H new ATOM 0 HZ PHE A 68 1.934 5.356 2.043 1.00 0.00 H new ATOM 1049 N VAL A 69 -3.434 7.519 -1.856 1.00 0.00 N ATOM 1050 CA VAL A 69 -3.587 8.941 -1.513 1.00 0.00 C ATOM 1051 C VAL A 69 -4.864 9.175 -0.711 1.00 0.00 C ATOM 1052 O VAL A 69 -4.818 9.884 0.287 1.00 0.00 O ATOM 1053 CB VAL A 69 -3.548 9.864 -2.773 1.00 0.00 C ATOM 1054 CG1 VAL A 69 -3.888 11.318 -2.449 1.00 0.00 C ATOM 1055 CG2 VAL A 69 -2.179 9.821 -3.409 1.00 0.00 C ATOM 0 H VAL A 69 -3.448 7.332 -2.859 1.00 0.00 H new ATOM 0 HA VAL A 69 -2.732 9.210 -0.892 1.00 0.00 H new ATOM 0 HB VAL A 69 -4.305 9.482 -3.459 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -3.846 11.913 -3.361 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -4.892 11.372 -2.027 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -3.170 11.708 -1.728 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -2.165 10.468 -4.286 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -1.434 10.165 -2.692 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -1.949 8.799 -3.709 1.00 0.00 H new ATOM 1065 N GLN A 70 -5.970 8.521 -1.102 1.00 0.00 N ATOM 1066 CA GLN A 70 -7.233 8.666 -0.380 1.00 0.00 C ATOM 1067 C GLN A 70 -7.165 8.078 1.021 1.00 0.00 C ATOM 1068 O GLN A 70 -7.768 8.625 1.929 1.00 0.00 O ATOM 1069 CB GLN A 70 -8.396 8.030 -1.126 1.00 0.00 C ATOM 1070 CG GLN A 70 -8.869 8.809 -2.342 1.00 0.00 C ATOM 1071 CD GLN A 70 -9.269 10.251 -2.046 1.00 0.00 C ATOM 1072 OE1 GLN A 70 -9.733 10.581 -0.955 1.00 0.00 O ATOM 1073 NE2 GLN A 70 -9.107 11.119 -3.032 1.00 0.00 N ATOM 0 H GLN A 70 -6.010 7.894 -1.906 1.00 0.00 H new ATOM 0 HA GLN A 70 -7.404 9.740 -0.305 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -8.103 7.029 -1.443 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -9.233 7.914 -0.437 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -8.076 8.810 -3.089 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -9.721 8.291 -2.782 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -8.719 10.811 -3.924 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -9.370 12.096 -2.900 1.00 0.00 H new ATOM 1082 N HIS A 71 -6.399 6.997 1.187 1.00 0.00 N ATOM 1083 CA HIS A 71 -6.208 6.352 2.492 1.00 0.00 C ATOM 1084 C HIS A 71 -5.325 7.219 3.413 1.00 0.00 C ATOM 1085 O HIS A 71 -5.504 7.226 4.634 1.00 0.00 O ATOM 1086 CB HIS A 71 -5.587 4.956 2.275 1.00 0.00 C ATOM 1087 CG HIS A 71 -5.404 4.128 3.521 1.00 0.00 C ATOM 1088 ND1 HIS A 71 -6.445 3.512 4.181 1.00 0.00 N ATOM 1089 CD2 HIS A 71 -4.286 3.820 4.216 1.00 0.00 C ATOM 1090 CE1 HIS A 71 -5.971 2.858 5.227 1.00 0.00 C ATOM 1091 NE2 HIS A 71 -4.663 3.027 5.273 1.00 0.00 N ATOM 0 H HIS A 71 -5.895 6.544 0.425 1.00 0.00 H new ATOM 0 HA HIS A 71 -7.173 6.241 2.986 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -6.217 4.401 1.580 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -4.616 5.080 1.796 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -3.281 4.139 3.983 1.00 0.00 H new ATOM 0 HE1 HIS A 71 -6.557 2.281 5.928 1.00 0.00 H new ATOM 0 HE2 HIS A 71 -4.037 2.635 5.976 1.00 0.00 H new ATOM 1100 N MET A 72 -4.388 7.948 2.810 1.00 0.00 N ATOM 1101 CA MET A 72 -3.498 8.851 3.538 1.00 0.00 C ATOM 1102 C MET A 72 -4.233 10.136 3.942 1.00 0.00 C ATOM 1103 O MET A 72 -3.917 10.748 4.960 1.00 0.00 O ATOM 1104 CB MET A 72 -2.278 9.182 2.671 1.00 0.00 C ATOM 1105 CG MET A 72 -1.354 7.994 2.426 1.00 0.00 C ATOM 1106 SD MET A 72 -0.354 7.540 3.853 1.00 0.00 S ATOM 1107 CE MET A 72 1.024 8.676 3.685 1.00 0.00 C ATOM 0 H MET A 72 -4.224 7.930 1.803 1.00 0.00 H new ATOM 0 HA MET A 72 -3.166 8.355 4.450 1.00 0.00 H new ATOM 0 HB2 MET A 72 -2.621 9.567 1.711 1.00 0.00 H new ATOM 0 HB3 MET A 72 -1.710 9.979 3.150 1.00 0.00 H new ATOM 0 HG2 MET A 72 -1.955 7.135 2.128 1.00 0.00 H new ATOM 0 HG3 MET A 72 -0.693 8.227 1.591 1.00 0.00 H new ATOM 0 HE1 MET A 72 1.747 8.491 4.479 1.00 0.00 H new ATOM 0 HE2 MET A 72 1.502 8.527 2.717 1.00 0.00 H new ATOM 0 HE3 MET A 72 0.661 9.701 3.757 1.00 0.00 H new ATOM 1117 N THR A 73 -5.238 10.516 3.151 1.00 0.00 N ATOM 1118 CA THR A 73 -6.030 11.714 3.415 1.00 0.00 C ATOM 1119 C THR A 73 -7.391 11.365 4.033 1.00 0.00 C ATOM 1120 O THR A 73 -8.318 12.178 4.014 1.00 0.00 O ATOM 1121 CB THR A 73 -6.268 12.522 2.120 1.00 0.00 C ATOM 1122 OG1 THR A 73 -6.929 11.715 1.134 1.00 0.00 O ATOM 1123 CG2 THR A 73 -4.959 13.061 1.552 1.00 0.00 C ATOM 0 H THR A 73 -5.523 10.005 2.316 1.00 0.00 H new ATOM 0 HA THR A 73 -5.459 12.316 4.122 1.00 0.00 H new ATOM 0 HB THR A 73 -6.906 13.368 2.376 1.00 0.00 H new ATOM 0 HG1 THR A 73 -6.287 11.087 0.742 1.00 0.00 H new ATOM 0 HG21 THR A 73 -5.162 13.624 0.641 1.00 0.00 H new ATOM 0 HG22 THR A 73 -4.486 13.714 2.285 1.00 0.00 H new ATOM 0 HG23 THR A 73 -4.292 12.230 1.323 1.00 0.00 H new ATOM 1131 N ALA A 74 -7.504 10.162 4.582 1.00 0.00 N ATOM 1132 CA ALA A 74 -8.768 9.681 5.122 1.00 0.00 C ATOM 1133 C ALA A 74 -8.891 9.987 6.614 1.00 0.00 C ATOM 1134 O ALA A 74 -7.969 10.535 7.224 1.00 0.00 O ATOM 1135 CB ALA A 74 -8.909 8.190 4.849 1.00 0.00 C ATOM 0 H ALA A 74 -6.732 9.500 4.665 1.00 0.00 H new ATOM 0 HA ALA A 74 -9.582 10.207 4.623 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -9.856 7.834 5.255 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -8.885 8.013 3.774 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -8.087 7.654 5.323 1.00 0.00 H new ATOM 1141 N LYS A 75 -10.041 9.653 7.188 1.00 0.00 N ATOM 1142 CA LYS A 75 -10.286 9.891 8.602 1.00 0.00 C ATOM 1143 C LYS A 75 -9.966 8.639 9.422 1.00 0.00 C ATOM 1144 O LYS A 75 -8.946 8.580 10.109 1.00 0.00 O ATOM 1145 CB LYS A 75 -11.741 10.314 8.821 1.00 0.00 C ATOM 1146 CG LYS A 75 -12.034 10.815 10.225 1.00 0.00 C ATOM 1147 CD LYS A 75 -13.519 11.062 10.425 1.00 0.00 C ATOM 1148 CE LYS A 75 -13.809 11.601 11.813 1.00 0.00 C ATOM 1149 NZ LYS A 75 -15.266 11.673 12.082 1.00 0.00 N ATOM 0 H LYS A 75 -10.819 9.216 6.693 1.00 0.00 H new ATOM 0 HA LYS A 75 -9.632 10.696 8.937 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -11.992 11.098 8.107 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -12.391 9.466 8.606 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -11.683 10.085 10.954 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -11.482 11.737 10.407 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -13.876 11.770 9.677 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -14.068 10.133 10.272 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -13.333 10.963 12.558 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -13.371 12.594 11.917 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -15.424 12.046 13.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -15.717 12.302 11.387 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -15.680 10.722 12.008 1.00 0.00 H new TER 1163 LYS A 75 HETATM 1164 CA CA A 76 4.196 -2.611 -6.854 1.00 0.00 CA HETATM 1165 CA CA A 77 -7.488 -1.291 -6.208 1.00 0.00 CA