USER MOD reduce.3.24.130724 H: found=0, std=0, add=611, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 610 hydrogens (32 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 15 HIS HE2 : A 15 HIS NE2 : A 90 HECFE :(H bumps) USER MOD NoAdj-H: A 90 HEC HAC : A 90 HEC CAC : A 14 CYS SG :(H bumps) USER MOD NoAdj-H: A 90 HEC HAB : A 90 HEC CAB : A 11 CYS SG :(H bumps) USER MOD Single : A 1 GLN : amide:sc= -0.25 X(o=-0.25,f=-0.036) USER MOD Single : A 7 TYR OH : rot -141:sc= 1.25 USER MOD Single : A 8 ASN : amide:sc= 0 X(o=0,f=-0.36) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A -3 ALA N :NH3+ 175:sc= 0 (180deg=-0.0309) USER MOD Single : A 12 THR OG1 : rot -33:sc= 0.517 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 MET CE :methyl 145:sc= -0.0282 (180deg=-0.15) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 180:sc= -0.205 USER MOD Single : A 26 HIS : no HD1:sc= -0.1 X(o=-0.1,f=-0.12) USER MOD Single : A 27 ASN : amide:sc= -0.269 K(o=-0.27,f=-2.9!) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 ASN :FLIP amide:sc= -0.453 F(o=-2.5,f=-0.45) USER MOD Single : A 44 LYS NZ :NH3+ -101:sc= 1.22 (180deg=0.618) USER MOD Single : A 45 SER OG : rot -165:sc= 1.28 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 THR OG1 : rot 89:sc= 0.363 USER MOD Single : A 51 ASN :FLIP amide:sc= 0.0108 F(o=-1.5!,f=0.011) USER MOD Single : A 53 MET CE :methyl -178:sc= -1.27 (180deg=-1.32) USER MOD Single : A 58 MET CE :methyl 178:sc= 0 (180deg=-0.00444) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 TYR OH : rot 62:sc= 1.11 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 MET CE :methyl -116:sc=-1.69e-05 (180deg=-0.0773) USER MOD Single : A 75 SER OG : rot -58:sc= 0.0644 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ -108:sc= 0.41 (180deg=-4.04!) USER MOD Single : A 90 HEC O2A : rot 167:sc= 0 USER MOD Single : A 90 HEC O2D : rot 178:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A -3 4.000 -0.227 -13.260 1.00 10.00 N ATOM 2 CA ALA A -3 3.137 -0.889 -14.266 1.00 10.00 C ATOM 3 C ALA A -3 3.677 -2.261 -14.713 1.00 10.00 C ATOM 4 O ALA A -3 3.526 -2.627 -15.871 1.00 10.00 O ATOM 5 CB ALA A -3 2.933 0.050 -15.465 1.00 10.00 C ATOM 0 H1 ALA A -3 3.633 0.725 -13.061 1.00 10.00 H new ATOM 0 H2 ALA A -3 4.004 -0.787 -12.384 1.00 10.00 H new ATOM 0 H3 ALA A -3 4.970 -0.154 -13.629 1.00 10.00 H new ATOM 0 HA ALA A -3 2.175 -1.090 -13.795 1.00 10.00 H new ATOM 0 HB1 ALA A -3 2.298 -0.437 -16.205 1.00 10.00 H new ATOM 0 HB2 ALA A -3 2.457 0.971 -15.129 1.00 10.00 H new ATOM 0 HB3 ALA A -3 3.899 0.283 -15.913 1.00 10.00 H new ATOM 13 N ASP A -2 4.323 -2.994 -13.797 1.00 10.00 N ATOM 14 CA ASP A -2 4.924 -4.295 -14.062 1.00 10.00 C ATOM 15 C ASP A -2 5.264 -4.951 -12.712 1.00 10.00 C ATOM 16 O ASP A -2 5.997 -4.361 -11.917 1.00 10.00 O ATOM 17 CB ASP A -2 6.180 -4.097 -14.928 1.00 10.00 C ATOM 18 CG ASP A -2 6.791 -5.413 -15.389 1.00 10.00 C ATOM 19 OD1 ASP A -2 6.484 -6.443 -14.753 1.00 10.00 O ATOM 20 OD2 ASP A -2 7.569 -5.356 -16.362 1.00 10.00 O ATOM 0 H ASP A -2 4.442 -2.687 -12.832 1.00 10.00 H new ATOM 0 HA ASP A -2 4.240 -4.947 -14.605 1.00 10.00 H new ATOM 0 HB2 ASP A -2 5.924 -3.495 -15.800 1.00 10.00 H new ATOM 0 HB3 ASP A -2 6.922 -3.536 -14.361 1.00 10.00 H new ATOM 25 N LEU A -1 4.741 -6.146 -12.433 1.00 10.00 N ATOM 26 CA LEU A -1 4.974 -6.877 -11.185 1.00 10.00 C ATOM 27 C LEU A -1 6.371 -7.511 -11.087 1.00 10.00 C ATOM 28 O LEU A -1 6.540 -8.599 -10.551 1.00 10.00 O ATOM 29 CB LEU A -1 3.806 -7.843 -10.911 1.00 10.00 C ATOM 30 CG LEU A -1 3.594 -9.109 -11.778 1.00 10.00 C ATOM 31 CD1 LEU A -1 4.145 -9.042 -13.207 1.00 10.00 C ATOM 32 CD2 LEU A -1 4.057 -10.404 -11.095 1.00 10.00 C ATOM 0 H LEU A -1 4.131 -6.644 -13.081 1.00 10.00 H new ATOM 0 HA LEU A -1 4.985 -6.154 -10.369 1.00 10.00 H new ATOM 0 HB2 LEU A -1 3.904 -8.177 -9.878 1.00 10.00 H new ATOM 0 HB3 LEU A -1 2.888 -7.258 -10.971 1.00 10.00 H new ATOM 0 HG LEU A -1 2.509 -9.133 -11.876 1.00 10.00 H new ATOM 0 HD11 LEU A -1 3.940 -9.981 -13.720 1.00 10.00 H new ATOM 0 HD12 LEU A -1 3.666 -8.223 -13.744 1.00 10.00 H new ATOM 0 HD13 LEU A -1 5.221 -8.874 -13.174 1.00 10.00 H new ATOM 0 HD21 LEU A -1 3.878 -11.250 -11.759 1.00 10.00 H new ATOM 0 HD22 LEU A -1 5.122 -10.337 -10.871 1.00 10.00 H new ATOM 0 HD23 LEU A -1 3.500 -10.546 -10.169 1.00 10.00 H new ATOM 44 N GLN A 1 7.398 -6.808 -11.567 1.00 10.00 N ATOM 45 CA GLN A 1 8.760 -7.331 -11.648 1.00 10.00 C ATOM 46 C GLN A 1 9.645 -6.876 -10.492 1.00 10.00 C ATOM 47 O GLN A 1 10.597 -7.563 -10.131 1.00 10.00 O ATOM 48 CB GLN A 1 9.393 -6.893 -12.982 1.00 10.00 C ATOM 49 CG GLN A 1 9.554 -8.063 -13.958 1.00 10.00 C ATOM 50 CD GLN A 1 10.605 -9.062 -13.484 1.00 10.00 C ATOM 51 OE1 GLN A 1 11.791 -8.901 -13.738 1.00 10.00 O ATOM 52 NE2 GLN A 1 10.198 -10.116 -12.789 1.00 10.00 N ATOM 0 H GLN A 1 7.306 -5.853 -11.913 1.00 10.00 H new ATOM 0 HA GLN A 1 8.692 -8.417 -11.587 1.00 10.00 H new ATOM 0 HB2 GLN A 1 8.773 -6.122 -13.440 1.00 10.00 H new ATOM 0 HB3 GLN A 1 10.368 -6.446 -12.790 1.00 10.00 H new ATOM 0 HG2 GLN A 1 8.597 -8.572 -14.075 1.00 10.00 H new ATOM 0 HG3 GLN A 1 9.834 -7.680 -14.940 1.00 10.00 H new ATOM 0 HE21 GLN A 1 9.207 -10.239 -12.583 1.00 10.00 H new ATOM 0 HE22 GLN A 1 10.876 -10.803 -12.460 1.00 10.00 H new ATOM 61 N ASP A 2 9.314 -5.726 -9.914 1.00 10.00 N ATOM 62 CA ASP A 2 9.939 -5.225 -8.714 1.00 10.00 C ATOM 63 C ASP A 2 8.855 -4.577 -7.852 1.00 10.00 C ATOM 64 O ASP A 2 8.095 -3.719 -8.301 1.00 10.00 O ATOM 65 CB ASP A 2 11.080 -4.274 -9.081 1.00 10.00 C ATOM 66 CG ASP A 2 11.450 -3.391 -7.906 1.00 10.00 C ATOM 67 OD1 ASP A 2 11.419 -3.892 -6.760 1.00 10.00 O ATOM 68 OD2 ASP A 2 11.609 -2.185 -8.162 1.00 10.00 O ATOM 0 H ASP A 2 8.588 -5.110 -10.281 1.00 10.00 H new ATOM 0 HA ASP A 2 10.394 -6.026 -8.131 1.00 10.00 H new ATOM 0 HB2 ASP A 2 11.950 -4.849 -9.397 1.00 10.00 H new ATOM 0 HB3 ASP A 2 10.784 -3.654 -9.927 1.00 10.00 H new ATOM 73 N ALA A 3 8.795 -5.005 -6.599 1.00 10.00 N ATOM 74 CA ALA A 3 7.914 -4.450 -5.598 1.00 10.00 C ATOM 75 C ALA A 3 8.165 -2.951 -5.378 1.00 10.00 C ATOM 76 O ALA A 3 7.212 -2.185 -5.204 1.00 10.00 O ATOM 77 CB ALA A 3 8.129 -5.259 -4.334 1.00 10.00 C ATOM 0 H ALA A 3 9.375 -5.767 -6.248 1.00 10.00 H new ATOM 0 HA ALA A 3 6.875 -4.516 -5.920 1.00 10.00 H new ATOM 0 HB1 ALA A 3 7.483 -4.877 -3.543 1.00 10.00 H new ATOM 0 HB2 ALA A 3 7.888 -6.305 -4.526 1.00 10.00 H new ATOM 0 HB3 ALA A 3 9.170 -5.178 -4.023 1.00 10.00 H new ATOM 83 N GLU A 4 9.432 -2.513 -5.435 1.00 10.00 N ATOM 84 CA GLU A 4 9.721 -1.087 -5.393 1.00 10.00 C ATOM 85 C GLU A 4 9.097 -0.367 -6.591 1.00 10.00 C ATOM 86 O GLU A 4 8.359 0.599 -6.420 1.00 10.00 O ATOM 87 CB GLU A 4 11.210 -0.780 -5.193 1.00 10.00 C ATOM 88 CG GLU A 4 11.458 0.725 -5.414 1.00 10.00 C ATOM 89 CD GLU A 4 12.597 1.297 -4.587 1.00 10.00 C ATOM 90 OE1 GLU A 4 13.699 0.711 -4.619 1.00 10.00 O ATOM 91 OE2 GLU A 4 12.321 2.325 -3.926 1.00 10.00 O ATOM 0 H GLU A 4 10.251 -3.117 -5.509 1.00 10.00 H new ATOM 0 HA GLU A 4 9.243 -0.682 -4.501 1.00 10.00 H new ATOM 0 HB2 GLU A 4 11.520 -1.067 -4.188 1.00 10.00 H new ATOM 0 HB3 GLU A 4 11.810 -1.365 -5.890 1.00 10.00 H new ATOM 0 HG2 GLU A 4 11.669 0.896 -6.470 1.00 10.00 H new ATOM 0 HG3 GLU A 4 10.544 1.271 -5.179 1.00 10.00 H new ATOM 98 N ALA A 5 9.289 -0.886 -7.802 1.00 10.00 N ATOM 99 CA ALA A 5 8.787 -0.278 -9.026 1.00 10.00 C ATOM 100 C ALA A 5 7.261 -0.313 -9.034 1.00 10.00 C ATOM 101 O ALA A 5 6.616 0.618 -9.512 1.00 10.00 O ATOM 102 CB ALA A 5 9.350 -1.020 -10.240 1.00 10.00 C ATOM 0 H ALA A 5 9.805 -1.752 -7.960 1.00 10.00 H new ATOM 0 HA ALA A 5 9.110 0.762 -9.073 1.00 10.00 H new ATOM 0 HB1 ALA A 5 8.972 -0.562 -11.154 1.00 10.00 H new ATOM 0 HB2 ALA A 5 10.438 -0.963 -10.229 1.00 10.00 H new ATOM 0 HB3 ALA A 5 9.041 -2.065 -10.203 1.00 10.00 H new ATOM 108 N ILE A 6 6.665 -1.328 -8.409 1.00 10.00 N ATOM 109 CA ILE A 6 5.226 -1.376 -8.241 1.00 10.00 C ATOM 110 C ILE A 6 4.788 -0.237 -7.322 1.00 10.00 C ATOM 111 O ILE A 6 3.985 0.579 -7.767 1.00 10.00 O ATOM 112 CB ILE A 6 4.820 -2.763 -7.714 1.00 10.00 C ATOM 113 CG1 ILE A 6 4.715 -3.795 -8.851 1.00 10.00 C ATOM 114 CG2 ILE A 6 3.518 -2.754 -6.893 1.00 10.00 C ATOM 115 CD1 ILE A 6 3.711 -3.430 -9.955 1.00 10.00 C ATOM 0 H ILE A 6 7.163 -2.125 -8.013 1.00 10.00 H new ATOM 0 HA ILE A 6 4.717 -1.234 -9.194 1.00 10.00 H new ATOM 0 HB ILE A 6 5.623 -3.056 -7.037 1.00 10.00 H new ATOM 0 HG12 ILE A 6 5.700 -3.922 -9.301 1.00 10.00 H new ATOM 0 HG13 ILE A 6 4.433 -4.758 -8.425 1.00 10.00 H new ATOM 0 HG21 ILE A 6 3.294 -3.766 -6.554 1.00 10.00 H new ATOM 0 HG22 ILE A 6 3.637 -2.100 -6.029 1.00 10.00 H new ATOM 0 HG23 ILE A 6 2.699 -2.390 -7.513 1.00 10.00 H new ATOM 0 HD11 ILE A 6 3.703 -4.213 -10.713 1.00 10.00 H new ATOM 0 HD12 ILE A 6 2.715 -3.333 -9.523 1.00 10.00 H new ATOM 0 HD13 ILE A 6 4.001 -2.484 -10.413 1.00 10.00 H new ATOM 127 N TYR A 7 5.350 -0.059 -6.120 1.00 10.00 N ATOM 128 CA TYR A 7 4.848 1.040 -5.286 1.00 10.00 C ATOM 129 C TYR A 7 5.194 2.416 -5.872 1.00 10.00 C ATOM 130 O TYR A 7 4.362 3.316 -5.894 1.00 10.00 O ATOM 131 CB TYR A 7 5.207 0.893 -3.796 1.00 10.00 C ATOM 132 CG TYR A 7 6.491 1.554 -3.346 1.00 10.00 C ATOM 133 CD1 TYR A 7 6.543 2.947 -3.144 1.00 10.00 C ATOM 134 CD2 TYR A 7 7.639 0.780 -3.129 1.00 10.00 C ATOM 135 CE1 TYR A 7 7.785 3.575 -2.952 1.00 10.00 C ATOM 136 CE2 TYR A 7 8.885 1.414 -2.969 1.00 10.00 C ATOM 137 CZ TYR A 7 8.963 2.813 -2.945 1.00 10.00 C ATOM 138 OH TYR A 7 10.168 3.444 -2.894 1.00 10.00 O ATOM 0 H TYR A 7 6.103 -0.620 -5.722 1.00 10.00 H new ATOM 0 HA TYR A 7 3.761 0.969 -5.310 1.00 10.00 H new ATOM 0 HB2 TYR A 7 4.387 1.301 -3.205 1.00 10.00 H new ATOM 0 HB3 TYR A 7 5.270 -0.170 -3.563 1.00 10.00 H new ATOM 0 HD1 TYR A 7 5.633 3.529 -3.137 1.00 10.00 H new ATOM 0 HD2 TYR A 7 7.568 -0.297 -3.085 1.00 10.00 H new ATOM 0 HE1 TYR A 7 7.833 4.645 -2.810 1.00 10.00 H new ATOM 0 HE2 TYR A 7 9.782 0.822 -2.865 1.00 10.00 H new ATOM 0 HH TYR A 7 10.806 2.977 -3.473 1.00 10.00 H new ATOM 148 N ASN A 8 6.400 2.544 -6.415 1.00 10.00 N ATOM 149 CA ASN A 8 6.992 3.750 -6.972 1.00 10.00 C ATOM 150 C ASN A 8 6.308 4.173 -8.281 1.00 10.00 C ATOM 151 O ASN A 8 6.390 5.334 -8.670 1.00 10.00 O ATOM 152 CB ASN A 8 8.495 3.495 -7.129 1.00 10.00 C ATOM 153 CG ASN A 8 9.296 4.722 -7.534 1.00 10.00 C ATOM 154 OD1 ASN A 8 9.016 5.841 -7.128 1.00 10.00 O ATOM 155 ND2 ASN A 8 10.333 4.521 -8.334 1.00 10.00 N ATOM 0 H ASN A 8 7.034 1.748 -6.481 1.00 10.00 H new ATOM 0 HA ASN A 8 6.841 4.596 -6.301 1.00 10.00 H new ATOM 0 HB2 ASN A 8 8.888 3.113 -6.187 1.00 10.00 H new ATOM 0 HB3 ASN A 8 8.644 2.715 -7.876 1.00 10.00 H new ATOM 0 HD21 ASN A 8 10.915 5.308 -8.622 1.00 10.00 H new ATOM 0 HD22 ASN A 8 10.550 3.580 -8.662 1.00 10.00 H new ATOM 162 N LYS A 9 5.641 3.245 -8.979 1.00 10.00 N ATOM 163 CA LYS A 9 4.727 3.570 -10.072 1.00 10.00 C ATOM 164 C LYS A 9 3.245 3.647 -9.650 1.00 10.00 C ATOM 165 O LYS A 9 2.468 4.313 -10.331 1.00 10.00 O ATOM 166 CB LYS A 9 4.947 2.626 -11.263 1.00 10.00 C ATOM 167 CG LYS A 9 4.963 3.417 -12.584 1.00 10.00 C ATOM 168 CD LYS A 9 6.320 4.144 -12.726 1.00 10.00 C ATOM 169 CE LYS A 9 6.214 5.670 -12.866 1.00 10.00 C ATOM 170 NZ LYS A 9 5.871 6.087 -14.242 1.00 10.00 N ATOM 0 H LYS A 9 5.723 2.245 -8.798 1.00 10.00 H new ATOM 0 HA LYS A 9 4.974 4.583 -10.388 1.00 10.00 H new ATOM 0 HB2 LYS A 9 5.889 2.091 -11.141 1.00 10.00 H new ATOM 0 HB3 LYS A 9 4.156 1.876 -11.291 1.00 10.00 H new ATOM 0 HG2 LYS A 9 4.808 2.743 -13.427 1.00 10.00 H new ATOM 0 HG3 LYS A 9 4.147 4.139 -12.599 1.00 10.00 H new ATOM 0 HD2 LYS A 9 6.934 3.914 -11.855 1.00 10.00 H new ATOM 0 HD3 LYS A 9 6.841 3.747 -13.597 1.00 10.00 H new ATOM 0 HE2 LYS A 9 5.457 6.044 -12.177 1.00 10.00 H new ATOM 0 HE3 LYS A 9 7.161 6.125 -12.577 1.00 10.00 H new ATOM 0 HZ1 LYS A 9 5.811 7.124 -14.286 1.00 10.00 H new ATOM 0 HZ2 LYS A 9 6.606 5.755 -14.899 1.00 10.00 H new ATOM 0 HZ3 LYS A 9 4.954 5.676 -14.511 1.00 10.00 H new ATOM 184 N ALA A 10 2.834 2.927 -8.597 1.00 10.00 N ATOM 185 CA ALA A 10 1.434 2.760 -8.181 1.00 10.00 C ATOM 186 C ALA A 10 1.087 3.588 -6.939 1.00 10.00 C ATOM 187 O ALA A 10 0.367 4.580 -7.025 1.00 10.00 O ATOM 188 CB ALA A 10 1.136 1.277 -7.929 1.00 10.00 C ATOM 0 H ALA A 10 3.487 2.429 -7.992 1.00 10.00 H new ATOM 0 HA ALA A 10 0.809 3.128 -8.994 1.00 10.00 H new ATOM 0 HB1 ALA A 10 0.097 1.162 -7.621 1.00 10.00 H new ATOM 0 HB2 ALA A 10 1.308 0.711 -8.844 1.00 10.00 H new ATOM 0 HB3 ALA A 10 1.791 0.903 -7.142 1.00 10.00 H new ATOM 194 N CYS A 11 1.612 3.200 -5.773 1.00 10.00 N ATOM 195 CA CYS A 11 1.385 3.836 -4.475 1.00 10.00 C ATOM 196 C CYS A 11 2.210 5.145 -4.362 1.00 10.00 C ATOM 197 O CYS A 11 2.815 5.457 -3.339 1.00 10.00 O ATOM 198 CB CYS A 11 1.690 2.852 -3.352 1.00 10.00 C ATOM 199 SG CYS A 11 1.724 1.075 -3.768 1.00 10.00 S ATOM 0 H CYS A 11 2.236 2.396 -5.707 1.00 10.00 H new ATOM 0 HA CYS A 11 0.336 4.116 -4.383 1.00 10.00 H new ATOM 0 HB2 CYS A 11 2.659 3.116 -2.929 1.00 10.00 H new ATOM 0 HB3 CYS A 11 0.948 2.999 -2.567 1.00 10.00 H new ATOM 204 N THR A 12 2.235 5.926 -5.446 1.00 10.00 N ATOM 205 CA THR A 12 3.182 7.017 -5.677 1.00 10.00 C ATOM 206 C THR A 12 2.518 8.337 -6.027 1.00 10.00 C ATOM 207 O THR A 12 3.193 9.354 -6.178 1.00 10.00 O ATOM 208 CB THR A 12 4.148 6.619 -6.796 1.00 10.00 C ATOM 209 OG1 THR A 12 5.215 7.528 -6.831 1.00 10.00 O ATOM 210 CG2 THR A 12 3.460 6.632 -8.168 1.00 10.00 C ATOM 0 H THR A 12 1.572 5.811 -6.213 1.00 10.00 H new ATOM 0 HA THR A 12 3.712 7.176 -4.738 1.00 10.00 H new ATOM 0 HB THR A 12 4.499 5.608 -6.589 1.00 10.00 H new ATOM 0 HG1 THR A 12 4.897 8.416 -6.564 1.00 10.00 H new ATOM 0 HG21 THR A 12 4.177 6.344 -8.937 1.00 10.00 H new ATOM 0 HG22 THR A 12 2.629 5.927 -8.165 1.00 10.00 H new ATOM 0 HG23 THR A 12 3.085 7.634 -8.378 1.00 10.00 H new ATOM 218 N VAL A 13 1.201 8.306 -6.188 1.00 10.00 N ATOM 219 CA VAL A 13 0.408 9.442 -6.604 1.00 10.00 C ATOM 220 C VAL A 13 -0.154 10.115 -5.352 1.00 10.00 C ATOM 221 O VAL A 13 0.017 11.308 -5.115 1.00 10.00 O ATOM 222 CB VAL A 13 -0.696 8.915 -7.535 1.00 10.00 C ATOM 223 CG1 VAL A 13 -1.478 10.104 -8.073 1.00 10.00 C ATOM 224 CG2 VAL A 13 -0.121 8.112 -8.711 1.00 10.00 C ATOM 0 H VAL A 13 0.646 7.465 -6.027 1.00 10.00 H new ATOM 0 HA VAL A 13 0.990 10.187 -7.147 1.00 10.00 H new ATOM 0 HB VAL A 13 -1.339 8.246 -6.964 1.00 10.00 H new ATOM 0 HG11 VAL A 13 -2.267 9.750 -8.737 1.00 10.00 H new ATOM 0 HG12 VAL A 13 -1.921 10.654 -7.243 1.00 10.00 H new ATOM 0 HG13 VAL A 13 -0.807 10.761 -8.626 1.00 10.00 H new ATOM 0 HG21 VAL A 13 -0.936 7.759 -9.343 1.00 10.00 H new ATOM 0 HG22 VAL A 13 0.543 8.749 -9.296 1.00 10.00 H new ATOM 0 HG23 VAL A 13 0.439 7.258 -8.329 1.00 10.00 H new ATOM 234 N CYS A 14 -0.816 9.297 -4.539 1.00 10.00 N ATOM 235 CA CYS A 14 -1.588 9.703 -3.382 1.00 10.00 C ATOM 236 C CYS A 14 -0.699 9.644 -2.135 1.00 10.00 C ATOM 237 O CYS A 14 -0.522 10.653 -1.459 1.00 10.00 O ATOM 238 CB CYS A 14 -2.786 8.789 -3.316 1.00 10.00 C ATOM 239 SG CYS A 14 -3.569 8.749 -4.953 1.00 10.00 S ATOM 0 H CYS A 14 -0.826 8.287 -4.681 1.00 10.00 H new ATOM 0 HA CYS A 14 -1.942 10.732 -3.448 1.00 10.00 H new ATOM 0 HB2 CYS A 14 -2.481 7.786 -3.017 1.00 10.00 H new ATOM 0 HB3 CYS A 14 -3.493 9.144 -2.566 1.00 10.00 H new ATOM 244 N HIS A 15 -0.090 8.485 -1.867 1.00 10.00 N ATOM 245 CA HIS A 15 0.674 8.206 -0.645 1.00 10.00 C ATOM 246 C HIS A 15 2.034 8.929 -0.597 1.00 10.00 C ATOM 247 O HIS A 15 2.618 9.091 0.475 1.00 10.00 O ATOM 248 CB HIS A 15 0.925 6.693 -0.575 1.00 10.00 C ATOM 249 CG HIS A 15 -0.235 5.830 -0.151 1.00 10.00 C ATOM 250 ND1 HIS A 15 -0.187 4.972 0.915 1.00 10.00 N ATOM 251 CD2 HIS A 15 -1.353 5.521 -0.879 1.00 10.00 C ATOM 252 CE1 HIS A 15 -1.262 4.171 0.848 1.00 10.00 C ATOM 253 NE2 HIS A 15 -2.020 4.468 -0.228 1.00 10.00 N ATOM 0 H HIS A 15 -0.115 7.694 -2.510 1.00 10.00 H new ATOM 0 HA HIS A 15 0.087 8.570 0.198 1.00 10.00 H new ATOM 0 HB2 HIS A 15 1.256 6.358 -1.558 1.00 10.00 H new ATOM 0 HB3 HIS A 15 1.749 6.517 0.116 1.00 10.00 H new ATOM 0 HD1 HIS A 15 0.537 4.946 1.633 1.00 10.00 H new ATOM 0 HD2 HIS A 15 -1.668 6.002 -1.793 1.00 10.00 H new ATOM 0 HE1 HIS A 15 -1.490 3.392 1.561 1.00 10.00 H new ATOM 261 N SER A 16 2.541 9.360 -1.760 1.00 10.00 N ATOM 262 CA SER A 16 3.833 10.038 -1.868 1.00 10.00 C ATOM 263 C SER A 16 3.815 11.369 -1.114 1.00 10.00 C ATOM 264 O SER A 16 4.690 11.648 -0.295 1.00 10.00 O ATOM 265 CB SER A 16 4.209 10.220 -3.343 1.00 10.00 C ATOM 266 OG SER A 16 5.448 10.894 -3.445 1.00 10.00 O ATOM 0 H SER A 16 2.062 9.246 -2.653 1.00 10.00 H new ATOM 0 HA SER A 16 4.599 9.418 -1.402 1.00 10.00 H new ATOM 0 HB2 SER A 16 4.272 9.249 -3.834 1.00 10.00 H new ATOM 0 HB3 SER A 16 3.433 10.787 -3.858 1.00 10.00 H new ATOM 0 HG SER A 16 5.683 11.006 -4.390 1.00 10.00 H new ATOM 272 N MET A 17 2.779 12.173 -1.379 1.00 10.00 N ATOM 273 CA MET A 17 2.602 13.503 -0.806 1.00 10.00 C ATOM 274 C MET A 17 1.410 13.585 0.167 1.00 10.00 C ATOM 275 O MET A 17 1.410 14.421 1.067 1.00 10.00 O ATOM 276 CB MET A 17 2.473 14.506 -1.960 1.00 10.00 C ATOM 277 CG MET A 17 3.166 15.844 -1.660 1.00 10.00 C ATOM 278 SD MET A 17 4.981 15.839 -1.748 1.00 10.00 S ATOM 279 CE MET A 17 5.435 15.974 -0.006 1.00 10.00 C ATOM 0 H MET A 17 2.026 11.907 -2.013 1.00 10.00 H new ATOM 0 HA MET A 17 3.474 13.745 -0.198 1.00 10.00 H new ATOM 0 HB2 MET A 17 2.903 14.073 -2.863 1.00 10.00 H new ATOM 0 HB3 MET A 17 1.417 14.685 -2.164 1.00 10.00 H new ATOM 0 HG2 MET A 17 2.790 16.590 -2.360 1.00 10.00 H new ATOM 0 HG3 MET A 17 2.871 16.167 -0.662 1.00 10.00 H new ATOM 0 HE1 MET A 17 6.342 15.398 0.179 1.00 10.00 H new ATOM 0 HE2 MET A 17 5.612 17.020 0.244 1.00 10.00 H new ATOM 0 HE3 MET A 17 4.626 15.585 0.612 1.00 10.00 H new ATOM 289 N GLY A 18 0.393 12.733 -0.016 1.00 10.00 N ATOM 290 CA GLY A 18 -0.830 12.709 0.786 1.00 10.00 C ATOM 291 C GLY A 18 -1.894 13.692 0.280 1.00 10.00 C ATOM 292 O GLY A 18 -2.342 14.561 1.022 1.00 10.00 O ATOM 0 H GLY A 18 0.402 12.022 -0.748 1.00 10.00 H new ATOM 0 HA2 GLY A 18 -1.243 11.700 0.781 1.00 10.00 H new ATOM 0 HA3 GLY A 18 -0.585 12.948 1.821 1.00 10.00 H new ATOM 296 N VAL A 19 -2.325 13.546 -0.981 1.00 10.00 N ATOM 297 CA VAL A 19 -3.268 14.478 -1.620 1.00 10.00 C ATOM 298 C VAL A 19 -4.715 14.168 -1.262 1.00 10.00 C ATOM 299 O VAL A 19 -5.415 14.977 -0.662 1.00 10.00 O ATOM 300 CB VAL A 19 -3.053 14.537 -3.145 1.00 10.00 C ATOM 301 CG1 VAL A 19 -4.068 15.479 -3.815 1.00 10.00 C ATOM 302 CG2 VAL A 19 -1.642 15.040 -3.472 1.00 10.00 C ATOM 0 H VAL A 19 -2.031 12.780 -1.587 1.00 10.00 H new ATOM 0 HA VAL A 19 -3.056 15.470 -1.222 1.00 10.00 H new ATOM 0 HB VAL A 19 -3.189 13.525 -3.527 1.00 10.00 H new ATOM 0 HG11 VAL A 19 -3.891 15.499 -4.890 1.00 10.00 H new ATOM 0 HG12 VAL A 19 -5.079 15.122 -3.621 1.00 10.00 H new ATOM 0 HG13 VAL A 19 -3.954 16.484 -3.409 1.00 10.00 H new ATOM 0 HG21 VAL A 19 -1.510 15.075 -4.553 1.00 10.00 H new ATOM 0 HG22 VAL A 19 -1.507 16.039 -3.058 1.00 10.00 H new ATOM 0 HG23 VAL A 19 -0.905 14.364 -3.038 1.00 10.00 H new ATOM 312 N ALA A 20 -5.157 12.953 -1.567 1.00 10.00 N ATOM 313 CA ALA A 20 -6.502 12.478 -1.265 1.00 10.00 C ATOM 314 C ALA A 20 -6.599 11.982 0.185 1.00 10.00 C ATOM 315 O ALA A 20 -7.303 11.025 0.485 1.00 10.00 O ATOM 316 CB ALA A 20 -6.815 11.377 -2.270 1.00 10.00 C ATOM 0 H ALA A 20 -4.580 12.258 -2.040 1.00 10.00 H new ATOM 0 HA ALA A 20 -7.232 13.282 -1.351 1.00 10.00 H new ATOM 0 HB1 ALA A 20 -7.816 10.988 -2.084 1.00 10.00 H new ATOM 0 HB2 ALA A 20 -6.765 11.782 -3.281 1.00 10.00 H new ATOM 0 HB3 ALA A 20 -6.088 10.572 -2.166 1.00 10.00 H new ATOM 322 N GLY A 21 -5.822 12.602 1.075 1.00 10.00 N ATOM 323 CA GLY A 21 -5.663 12.162 2.461 1.00 10.00 C ATOM 324 C GLY A 21 -5.016 10.775 2.575 1.00 10.00 C ATOM 325 O GLY A 21 -5.185 10.083 3.576 1.00 10.00 O ATOM 0 H GLY A 21 -5.278 13.435 0.850 1.00 10.00 H new ATOM 0 HA2 GLY A 21 -5.053 12.887 3.000 1.00 10.00 H new ATOM 0 HA3 GLY A 21 -6.639 12.143 2.946 1.00 10.00 H new ATOM 329 N ALA A 22 -4.256 10.363 1.554 1.00 10.00 N ATOM 330 CA ALA A 22 -3.533 9.098 1.561 1.00 10.00 C ATOM 331 C ALA A 22 -2.391 9.115 2.600 1.00 10.00 C ATOM 332 O ALA A 22 -1.781 10.160 2.833 1.00 10.00 O ATOM 333 CB ALA A 22 -3.036 8.797 0.145 1.00 10.00 C ATOM 0 H ALA A 22 -4.128 10.904 0.699 1.00 10.00 H new ATOM 0 HA ALA A 22 -4.203 8.293 1.864 1.00 10.00 H new ATOM 0 HB1 ALA A 22 -2.494 7.851 0.143 1.00 10.00 H new ATOM 0 HB2 ALA A 22 -3.887 8.729 -0.533 1.00 10.00 H new ATOM 0 HB3 ALA A 22 -2.373 9.596 -0.185 1.00 10.00 H new ATOM 339 N PRO A 23 -2.108 7.975 3.247 1.00 10.00 N ATOM 340 CA PRO A 23 -1.142 7.880 4.336 1.00 10.00 C ATOM 341 C PRO A 23 0.291 7.964 3.803 1.00 10.00 C ATOM 342 O PRO A 23 0.573 7.472 2.710 1.00 10.00 O ATOM 343 CB PRO A 23 -1.443 6.528 4.976 1.00 10.00 C ATOM 344 CG PRO A 23 -1.894 5.680 3.792 1.00 10.00 C ATOM 345 CD PRO A 23 -2.708 6.679 2.976 1.00 10.00 C ATOM 0 HA PRO A 23 -1.223 8.695 5.055 1.00 10.00 H new ATOM 0 HB2 PRO A 23 -0.563 6.107 5.462 1.00 10.00 H new ATOM 0 HB3 PRO A 23 -2.220 6.606 5.736 1.00 10.00 H new ATOM 0 HG2 PRO A 23 -1.049 5.285 3.228 1.00 10.00 H new ATOM 0 HG3 PRO A 23 -2.494 4.826 4.107 1.00 10.00 H new ATOM 0 HD2 PRO A 23 -2.669 6.442 1.913 1.00 10.00 H new ATOM 0 HD3 PRO A 23 -3.758 6.663 3.268 1.00 10.00 H new ATOM 353 N LYS A 24 1.208 8.587 4.554 1.00 10.00 N ATOM 354 CA LYS A 24 2.539 8.869 4.017 1.00 10.00 C ATOM 355 C LYS A 24 3.326 7.583 3.734 1.00 10.00 C ATOM 356 O LYS A 24 3.353 6.678 4.580 1.00 10.00 O ATOM 357 CB LYS A 24 3.364 9.758 4.958 1.00 10.00 C ATOM 358 CG LYS A 24 2.728 11.121 5.258 1.00 10.00 C ATOM 359 CD LYS A 24 3.720 11.945 6.094 1.00 10.00 C ATOM 360 CE LYS A 24 3.112 13.285 6.523 1.00 10.00 C ATOM 361 NZ LYS A 24 4.020 14.014 7.435 1.00 10.00 N ATOM 0 H LYS A 24 1.056 8.898 5.513 1.00 10.00 H new ATOM 0 HA LYS A 24 2.374 9.401 3.080 1.00 10.00 H new ATOM 0 HB2 LYS A 24 3.518 9.227 5.898 1.00 10.00 H new ATOM 0 HB3 LYS A 24 4.348 9.918 4.517 1.00 10.00 H new ATOM 0 HG2 LYS A 24 2.490 11.641 4.330 1.00 10.00 H new ATOM 0 HG3 LYS A 24 1.791 10.991 5.800 1.00 10.00 H new ATOM 0 HD2 LYS A 24 4.013 11.377 6.977 1.00 10.00 H new ATOM 0 HD3 LYS A 24 4.626 12.124 5.515 1.00 10.00 H new ATOM 0 HE2 LYS A 24 2.910 13.895 5.642 1.00 10.00 H new ATOM 0 HE3 LYS A 24 2.156 13.112 7.018 1.00 10.00 H new ATOM 0 HZ1 LYS A 24 3.584 14.917 7.710 1.00 10.00 H new ATOM 0 HZ2 LYS A 24 4.193 13.440 8.285 1.00 10.00 H new ATOM 0 HZ3 LYS A 24 4.923 14.198 6.952 1.00 10.00 H new ATOM 375 N SER A 25 4.026 7.574 2.586 1.00 10.00 N ATOM 376 CA SER A 25 5.021 6.595 2.139 1.00 10.00 C ATOM 377 C SER A 25 5.632 5.733 3.248 1.00 10.00 C ATOM 378 O SER A 25 5.680 4.519 3.122 1.00 10.00 O ATOM 379 CB SER A 25 6.147 7.321 1.391 1.00 10.00 C ATOM 380 OG SER A 25 5.618 8.001 0.275 1.00 10.00 O ATOM 0 H SER A 25 3.897 8.312 1.894 1.00 10.00 H new ATOM 0 HA SER A 25 4.479 5.905 1.493 1.00 10.00 H new ATOM 0 HB2 SER A 25 6.642 8.027 2.057 1.00 10.00 H new ATOM 0 HB3 SER A 25 6.902 6.605 1.068 1.00 10.00 H new ATOM 0 HG SER A 25 6.340 8.464 -0.198 1.00 10.00 H new ATOM 386 N HIS A 26 6.132 6.357 4.318 1.00 10.00 N ATOM 387 CA HIS A 26 6.616 5.633 5.489 1.00 10.00 C ATOM 388 C HIS A 26 6.318 6.401 6.788 1.00 10.00 C ATOM 389 O HIS A 26 7.206 6.632 7.604 1.00 10.00 O ATOM 390 CB HIS A 26 8.099 5.276 5.302 1.00 10.00 C ATOM 391 CG HIS A 26 9.012 6.472 5.176 1.00 10.00 C ATOM 392 ND1 HIS A 26 9.137 7.279 4.069 1.00 10.00 N ATOM 393 CD2 HIS A 26 9.830 6.978 6.151 1.00 10.00 C ATOM 394 CE1 HIS A 26 10.003 8.258 4.377 1.00 10.00 C ATOM 395 NE2 HIS A 26 10.452 8.118 5.634 1.00 10.00 N ATOM 0 H HIS A 26 6.211 7.371 4.394 1.00 10.00 H new ATOM 0 HA HIS A 26 6.074 4.692 5.587 1.00 10.00 H new ATOM 0 HB2 HIS A 26 8.425 4.671 6.148 1.00 10.00 H new ATOM 0 HB3 HIS A 26 8.203 4.658 4.410 1.00 10.00 H new ATOM 0 HD2 HIS A 26 9.969 6.570 7.141 1.00 10.00 H new ATOM 0 HE1 HIS A 26 10.298 9.050 3.705 1.00 10.00 H new ATOM 0 HE2 HIS A 26 11.116 8.724 6.117 1.00 10.00 H new ATOM 403 N ASN A 27 5.053 6.787 7.006 1.00 10.00 N ATOM 404 CA ASN A 27 4.608 7.222 8.332 1.00 10.00 C ATOM 405 C ASN A 27 4.954 6.148 9.387 1.00 10.00 C ATOM 406 O ASN A 27 5.009 4.962 9.073 1.00 10.00 O ATOM 407 CB ASN A 27 3.081 7.472 8.320 1.00 10.00 C ATOM 408 CG ASN A 27 2.632 8.930 8.329 1.00 10.00 C ATOM 409 OD1 ASN A 27 3.375 9.820 8.725 1.00 10.00 O ATOM 410 ND2 ASN A 27 1.399 9.219 7.923 1.00 10.00 N ATOM 0 H ASN A 27 4.329 6.806 6.288 1.00 10.00 H new ATOM 0 HA ASN A 27 5.120 8.149 8.589 1.00 10.00 H new ATOM 0 HB2 ASN A 27 2.663 6.991 7.435 1.00 10.00 H new ATOM 0 HB3 ASN A 27 2.647 6.975 9.188 1.00 10.00 H new ATOM 0 HD21 ASN A 27 1.069 10.184 7.941 1.00 10.00 H new ATOM 0 HD22 ASN A 27 0.783 8.476 7.594 1.00 10.00 H new ATOM 417 N THR A 28 5.128 6.537 10.651 1.00 10.00 N ATOM 418 CA THR A 28 5.235 5.555 11.739 1.00 10.00 C ATOM 419 C THR A 28 3.910 5.429 12.497 1.00 10.00 C ATOM 420 O THR A 28 3.454 4.331 12.799 1.00 10.00 O ATOM 421 CB THR A 28 6.355 6.009 12.689 1.00 10.00 C ATOM 422 OG1 THR A 28 7.570 6.080 11.977 1.00 10.00 O ATOM 423 CG2 THR A 28 6.544 5.073 13.882 1.00 10.00 C ATOM 0 H THR A 28 5.197 7.510 10.948 1.00 10.00 H new ATOM 0 HA THR A 28 5.468 4.574 11.324 1.00 10.00 H new ATOM 0 HB THR A 28 6.063 6.984 13.078 1.00 10.00 H new ATOM 0 HG1 THR A 28 8.286 6.371 12.580 1.00 10.00 H new ATOM 0 HG21 THR A 28 7.349 5.448 14.515 1.00 10.00 H new ATOM 0 HG22 THR A 28 5.620 5.027 14.459 1.00 10.00 H new ATOM 0 HG23 THR A 28 6.798 4.075 13.525 1.00 10.00 H new ATOM 431 N ALA A 29 3.185 6.539 12.649 1.00 10.00 N ATOM 432 CA ALA A 29 1.994 6.582 13.502 1.00 10.00 C ATOM 433 C ALA A 29 0.733 6.111 12.775 1.00 10.00 C ATOM 434 O ALA A 29 -0.239 5.687 13.390 1.00 10.00 O ATOM 435 CB ALA A 29 1.810 8.005 14.015 1.00 10.00 C ATOM 0 H ALA A 29 3.403 7.424 12.191 1.00 10.00 H new ATOM 0 HA ALA A 29 2.147 5.894 14.333 1.00 10.00 H new ATOM 0 HB1 ALA A 29 0.926 8.051 14.652 1.00 10.00 H new ATOM 0 HB2 ALA A 29 2.687 8.301 14.590 1.00 10.00 H new ATOM 0 HB3 ALA A 29 1.684 8.683 13.171 1.00 10.00 H new ATOM 441 N ASP A 30 0.765 6.204 11.448 1.00 10.00 N ATOM 442 CA ASP A 30 -0.287 5.802 10.539 1.00 10.00 C ATOM 443 C ASP A 30 -0.213 4.285 10.296 1.00 10.00 C ATOM 444 O ASP A 30 -1.233 3.624 10.109 1.00 10.00 O ATOM 445 CB ASP A 30 0.000 6.621 9.282 1.00 10.00 C ATOM 446 CG ASP A 30 -1.147 6.888 8.352 1.00 10.00 C ATOM 447 OD1 ASP A 30 -2.186 6.194 8.442 1.00 10.00 O ATOM 448 OD2 ASP A 30 -0.886 7.763 7.498 1.00 10.00 O ATOM 0 H ASP A 30 1.575 6.584 10.958 1.00 10.00 H new ATOM 0 HA ASP A 30 -1.296 5.983 10.909 1.00 10.00 H new ATOM 0 HB2 ASP A 30 0.411 7.581 9.593 1.00 10.00 H new ATOM 0 HB3 ASP A 30 0.779 6.108 8.717 1.00 10.00 H new ATOM 453 N TRP A 31 1.016 3.749 10.314 1.00 10.00 N ATOM 454 CA TRP A 31 1.346 2.337 10.144 1.00 10.00 C ATOM 455 C TRP A 31 1.248 1.567 11.484 1.00 10.00 C ATOM 456 O TRP A 31 0.765 0.432 11.490 1.00 10.00 O ATOM 457 CB TRP A 31 2.718 2.227 9.444 1.00 10.00 C ATOM 458 CG TRP A 31 2.806 2.761 8.027 1.00 10.00 C ATOM 459 CD1 TRP A 31 2.727 4.064 7.680 1.00 10.00 C ATOM 460 CD2 TRP A 31 2.986 2.058 6.756 1.00 10.00 C ATOM 461 NE1 TRP A 31 2.819 4.236 6.320 1.00 10.00 N ATOM 462 CE2 TRP A 31 2.943 3.024 5.698 1.00 10.00 C ATOM 463 CE3 TRP A 31 3.137 0.708 6.373 1.00 10.00 C ATOM 464 CZ2 TRP A 31 2.989 2.675 4.349 1.00 10.00 C ATOM 465 CZ3 TRP A 31 3.151 0.342 5.013 1.00 10.00 C ATOM 466 CH2 TRP A 31 3.024 1.318 4.015 1.00 10.00 C ATOM 0 H TRP A 31 1.847 4.324 10.455 1.00 10.00 H new ATOM 0 HA TRP A 31 0.615 1.850 9.499 1.00 10.00 H new ATOM 0 HB2 TRP A 31 3.453 2.754 10.052 1.00 10.00 H new ATOM 0 HB3 TRP A 31 3.009 1.177 9.430 1.00 10.00 H new ATOM 0 HD1 TRP A 31 2.606 4.872 8.386 1.00 10.00 H new ATOM 0 HE1 TRP A 31 2.798 5.137 5.843 1.00 10.00 H new ATOM 0 HE3 TRP A 31 3.243 -0.053 7.132 1.00 10.00 H new ATOM 0 HZ2 TRP A 31 2.997 3.434 3.581 1.00 10.00 H new ATOM 0 HZ3 TRP A 31 3.260 -0.697 4.738 1.00 10.00 H new ATOM 0 HH2 TRP A 31 2.953 1.019 2.980 1.00 10.00 H new ATOM 477 N GLU A 32 1.603 2.177 12.631 1.00 10.00 N ATOM 478 CA GLU A 32 1.434 1.565 13.962 1.00 10.00 C ATOM 479 C GLU A 32 0.082 0.837 14.163 1.00 10.00 C ATOM 480 O GLU A 32 0.068 -0.373 14.389 1.00 10.00 O ATOM 481 CB GLU A 32 1.693 2.590 15.088 1.00 10.00 C ATOM 482 CG GLU A 32 2.771 2.127 16.081 1.00 10.00 C ATOM 483 CD GLU A 32 4.190 2.256 15.543 1.00 10.00 C ATOM 484 OE1 GLU A 32 4.622 1.321 14.834 1.00 10.00 O ATOM 485 OE2 GLU A 32 4.820 3.281 15.876 1.00 10.00 O ATOM 0 H GLU A 32 2.016 3.109 12.660 1.00 10.00 H new ATOM 0 HA GLU A 32 2.192 0.784 14.018 1.00 10.00 H new ATOM 0 HB2 GLU A 32 1.997 3.539 14.646 1.00 10.00 H new ATOM 0 HB3 GLU A 32 0.764 2.773 15.627 1.00 10.00 H new ATOM 0 HG2 GLU A 32 2.684 2.711 16.997 1.00 10.00 H new ATOM 0 HG3 GLU A 32 2.585 1.086 16.347 1.00 10.00 H new ATOM 492 N PRO A 33 -1.076 1.516 14.024 1.00 10.00 N ATOM 493 CA PRO A 33 -2.392 0.903 14.210 1.00 10.00 C ATOM 494 C PRO A 33 -2.806 -0.038 13.062 1.00 10.00 C ATOM 495 O PRO A 33 -3.988 -0.368 12.929 1.00 10.00 O ATOM 496 CB PRO A 33 -3.354 2.091 14.354 1.00 10.00 C ATOM 497 CG PRO A 33 -2.700 3.175 13.501 1.00 10.00 C ATOM 498 CD PRO A 33 -1.216 2.937 13.746 1.00 10.00 C ATOM 0 HA PRO A 33 -2.396 0.250 15.083 1.00 10.00 H new ATOM 0 HB2 PRO A 33 -4.354 1.845 13.996 1.00 10.00 H new ATOM 0 HB3 PRO A 33 -3.456 2.403 15.393 1.00 10.00 H new ATOM 0 HG2 PRO A 33 -2.959 3.073 12.447 1.00 10.00 H new ATOM 0 HG3 PRO A 33 -3.007 4.174 13.809 1.00 10.00 H new ATOM 0 HD2 PRO A 33 -0.626 3.224 12.875 1.00 10.00 H new ATOM 0 HD3 PRO A 33 -0.858 3.535 14.584 1.00 10.00 H new ATOM 506 N ARG A 34 -1.867 -0.457 12.209 1.00 10.00 N ATOM 507 CA ARG A 34 -2.054 -1.444 11.151 1.00 10.00 C ATOM 508 C ARG A 34 -1.138 -2.650 11.425 1.00 10.00 C ATOM 509 O ARG A 34 -1.623 -3.780 11.542 1.00 10.00 O ATOM 510 CB ARG A 34 -1.814 -0.774 9.788 1.00 10.00 C ATOM 511 CG ARG A 34 -3.037 0.026 9.319 1.00 10.00 C ATOM 512 CD ARG A 34 -3.220 1.364 10.036 1.00 10.00 C ATOM 513 NE ARG A 34 -4.418 1.343 10.892 1.00 10.00 N ATOM 514 CZ ARG A 34 -5.271 2.349 11.103 1.00 10.00 C ATOM 515 NH1 ARG A 34 -5.008 3.574 10.660 1.00 10.00 N ATOM 516 NH2 ARG A 34 -6.385 2.133 11.789 1.00 10.00 N ATOM 0 H ARG A 34 -0.913 -0.098 12.242 1.00 10.00 H new ATOM 0 HA ARG A 34 -3.075 -1.825 11.132 1.00 10.00 H new ATOM 0 HB2 ARG A 34 -0.951 -0.111 9.856 1.00 10.00 H new ATOM 0 HB3 ARG A 34 -1.573 -1.536 9.047 1.00 10.00 H new ATOM 0 HG2 ARG A 34 -2.949 0.209 8.248 1.00 10.00 H new ATOM 0 HG3 ARG A 34 -3.932 -0.579 9.467 1.00 10.00 H new ATOM 0 HD2 ARG A 34 -2.340 1.580 10.641 1.00 10.00 H new ATOM 0 HD3 ARG A 34 -3.307 2.165 9.302 1.00 10.00 H new ATOM 0 HE ARG A 34 -4.618 0.467 11.375 1.00 10.00 H new ATOM 0 HH11 ARG A 34 -4.144 3.757 10.150 1.00 10.00 H new ATOM 0 HH12 ARG A 34 -5.670 4.331 10.830 1.00 10.00 H new ATOM 0 HH21 ARG A 34 -6.587 1.202 12.153 1.00 10.00 H new ATOM 0 HH22 ARG A 34 -7.040 2.898 11.953 1.00 10.00 H new ATOM 530 N LEU A 35 0.150 -2.385 11.688 1.00 10.00 N ATOM 531 CA LEU A 35 1.140 -3.361 12.168 1.00 10.00 C ATOM 532 C LEU A 35 0.726 -4.109 13.452 1.00 10.00 C ATOM 533 O LEU A 35 1.371 -5.080 13.839 1.00 10.00 O ATOM 534 CB LEU A 35 2.495 -2.656 12.414 1.00 10.00 C ATOM 535 CG LEU A 35 3.618 -3.019 11.427 1.00 10.00 C ATOM 536 CD1 LEU A 35 4.910 -2.328 11.875 1.00 10.00 C ATOM 537 CD2 LEU A 35 3.869 -4.532 11.360 1.00 10.00 C ATOM 0 H LEU A 35 0.545 -1.452 11.568 1.00 10.00 H new ATOM 0 HA LEU A 35 1.218 -4.111 11.381 1.00 10.00 H new ATOM 0 HB2 LEU A 35 2.336 -1.578 12.377 1.00 10.00 H new ATOM 0 HB3 LEU A 35 2.831 -2.894 13.423 1.00 10.00 H new ATOM 0 HG LEU A 35 3.310 -2.687 10.436 1.00 10.00 H new ATOM 0 HD11 LEU A 35 5.715 -2.577 11.183 1.00 10.00 H new ATOM 0 HD12 LEU A 35 4.761 -1.248 11.884 1.00 10.00 H new ATOM 0 HD13 LEU A 35 5.175 -2.666 12.877 1.00 10.00 H new ATOM 0 HD21 LEU A 35 4.670 -4.737 10.650 1.00 10.00 H new ATOM 0 HD22 LEU A 35 4.156 -4.897 12.346 1.00 10.00 H new ATOM 0 HD23 LEU A 35 2.959 -5.038 11.036 1.00 10.00 H new ATOM 549 N ALA A 36 -0.329 -3.650 14.130 1.00 10.00 N ATOM 550 CA ALA A 36 -0.778 -4.152 15.416 1.00 10.00 C ATOM 551 C ALA A 36 -1.742 -5.319 15.214 1.00 10.00 C ATOM 552 O ALA A 36 -1.732 -6.284 15.972 1.00 10.00 O ATOM 553 CB ALA A 36 -1.456 -3.014 16.184 1.00 10.00 C ATOM 0 H ALA A 36 -0.911 -2.890 13.779 1.00 10.00 H new ATOM 0 HA ALA A 36 0.074 -4.514 15.992 1.00 10.00 H new ATOM 0 HB1 ALA A 36 -1.797 -3.381 17.152 1.00 10.00 H new ATOM 0 HB2 ALA A 36 -0.745 -2.202 16.334 1.00 10.00 H new ATOM 0 HB3 ALA A 36 -2.310 -2.648 15.613 1.00 10.00 H new ATOM 559 N LYS A 37 -2.580 -5.224 14.173 1.00 10.00 N ATOM 560 CA LYS A 37 -3.454 -6.317 13.785 1.00 10.00 C ATOM 561 C LYS A 37 -2.655 -7.375 13.017 1.00 10.00 C ATOM 562 O LYS A 37 -2.766 -8.567 13.287 1.00 10.00 O ATOM 563 CB LYS A 37 -4.654 -5.793 12.983 1.00 10.00 C ATOM 564 CG LYS A 37 -5.377 -4.675 13.748 1.00 10.00 C ATOM 565 CD LYS A 37 -6.794 -4.433 13.205 1.00 10.00 C ATOM 566 CE LYS A 37 -7.813 -5.339 13.914 1.00 10.00 C ATOM 567 NZ LYS A 37 -9.189 -5.089 13.433 1.00 10.00 N ATOM 0 H LYS A 37 -2.664 -4.393 13.588 1.00 10.00 H new ATOM 0 HA LYS A 37 -3.858 -6.793 14.678 1.00 10.00 H new ATOM 0 HB2 LYS A 37 -4.315 -5.418 12.017 1.00 10.00 H new ATOM 0 HB3 LYS A 37 -5.348 -6.610 12.783 1.00 10.00 H new ATOM 0 HG2 LYS A 37 -5.433 -4.936 14.805 1.00 10.00 H new ATOM 0 HG3 LYS A 37 -4.799 -3.754 13.677 1.00 10.00 H new ATOM 0 HD2 LYS A 37 -7.069 -3.388 13.347 1.00 10.00 H new ATOM 0 HD3 LYS A 37 -6.815 -4.625 12.132 1.00 10.00 H new ATOM 0 HE2 LYS A 37 -7.552 -6.384 13.745 1.00 10.00 H new ATOM 0 HE3 LYS A 37 -7.766 -5.169 14.990 1.00 10.00 H new ATOM 0 HZ1 LYS A 37 -9.851 -5.717 13.932 1.00 10.00 H new ATOM 0 HZ2 LYS A 37 -9.446 -4.098 13.617 1.00 10.00 H new ATOM 0 HZ3 LYS A 37 -9.239 -5.276 12.411 1.00 10.00 H new ATOM 581 N GLY A 38 -1.848 -6.929 12.049 1.00 10.00 N ATOM 582 CA GLY A 38 -0.921 -7.791 11.325 1.00 10.00 C ATOM 583 C GLY A 38 -0.383 -7.088 10.079 1.00 10.00 C ATOM 584 O GLY A 38 0.125 -5.976 10.173 1.00 10.00 O ATOM 0 H GLY A 38 -1.823 -5.955 11.748 1.00 10.00 H new ATOM 0 HA2 GLY A 38 -0.093 -8.070 11.977 1.00 10.00 H new ATOM 0 HA3 GLY A 38 -1.425 -8.714 11.038 1.00 10.00 H new ATOM 588 N VAL A 39 -0.512 -7.724 8.911 1.00 10.00 N ATOM 589 CA VAL A 39 -0.028 -7.182 7.641 1.00 10.00 C ATOM 590 C VAL A 39 -1.037 -7.430 6.521 1.00 10.00 C ATOM 591 O VAL A 39 -1.592 -6.489 5.955 1.00 10.00 O ATOM 592 CB VAL A 39 1.347 -7.783 7.290 1.00 10.00 C ATOM 593 CG1 VAL A 39 1.837 -7.231 5.944 1.00 10.00 C ATOM 594 CG2 VAL A 39 2.372 -7.486 8.392 1.00 10.00 C ATOM 0 H VAL A 39 -0.959 -8.636 8.821 1.00 10.00 H new ATOM 0 HA VAL A 39 0.088 -6.104 7.750 1.00 10.00 H new ATOM 0 HB VAL A 39 1.238 -8.865 7.211 1.00 10.00 H new ATOM 0 HG11 VAL A 39 2.809 -7.662 5.706 1.00 10.00 H new ATOM 0 HG12 VAL A 39 1.123 -7.492 5.162 1.00 10.00 H new ATOM 0 HG13 VAL A 39 1.927 -6.147 6.006 1.00 10.00 H new ATOM 0 HG21 VAL A 39 3.334 -7.921 8.121 1.00 10.00 H new ATOM 0 HG22 VAL A 39 2.480 -6.408 8.507 1.00 10.00 H new ATOM 0 HG23 VAL A 39 2.031 -7.919 9.332 1.00 10.00 H new ATOM 604 N ASP A 40 -1.275 -8.704 6.186 1.00 10.00 N ATOM 605 CA ASP A 40 -2.119 -9.062 5.057 1.00 10.00 C ATOM 606 C ASP A 40 -3.493 -8.377 5.145 1.00 10.00 C ATOM 607 O ASP A 40 -4.001 -7.930 4.125 1.00 10.00 O ATOM 608 CB ASP A 40 -2.190 -10.588 4.888 1.00 10.00 C ATOM 609 CG ASP A 40 -3.343 -11.196 5.661 1.00 10.00 C ATOM 610 OD1 ASP A 40 -3.371 -10.929 6.881 1.00 10.00 O ATOM 611 OD2 ASP A 40 -4.175 -11.853 4.990 1.00 10.00 O ATOM 0 H ASP A 40 -0.889 -9.503 6.689 1.00 10.00 H new ATOM 0 HA ASP A 40 -1.665 -8.681 4.142 1.00 10.00 H new ATOM 0 HB2 ASP A 40 -2.296 -10.830 3.831 1.00 10.00 H new ATOM 0 HB3 ASP A 40 -1.254 -11.033 5.225 1.00 10.00 H new ATOM 616 N ASN A 41 -4.044 -8.211 6.356 1.00 10.00 N ATOM 617 CA ASN A 41 -5.255 -7.415 6.626 1.00 10.00 C ATOM 618 C ASN A 41 -5.377 -6.187 5.696 1.00 10.00 C ATOM 619 O ASN A 41 -6.449 -5.888 5.178 1.00 10.00 O ATOM 620 CB ASN A 41 -5.331 -6.930 8.091 1.00 10.00 C ATOM 621 CG ASN A 41 -4.657 -7.786 9.145 1.00 10.00 C ATOM 622 OD1 ASN A 41 -3.637 -7.232 9.783 1.00 10.00 O flip ATOM 623 ND2 ASN A 41 -5.080 -8.893 9.446 1.00 10.00 N flip ATOM 0 H ASN A 41 -3.652 -8.636 7.197 1.00 10.00 H new ATOM 0 HA ASN A 41 -6.084 -8.095 6.431 1.00 10.00 H new ATOM 0 HB2 ASN A 41 -4.895 -5.932 8.138 1.00 10.00 H new ATOM 0 HB3 ASN A 41 -6.383 -6.832 8.359 1.00 10.00 H new ATOM 0 HD21 ASN A 41 -5.867 -9.294 8.936 1.00 10.00 H new ATOM 0 HD22 ASN A 41 -4.646 -9.415 10.207 1.00 10.00 H new ATOM 630 N LEU A 42 -4.260 -5.489 5.465 1.00 10.00 N ATOM 631 CA LEU A 42 -4.181 -4.306 4.622 1.00 10.00 C ATOM 632 C LEU A 42 -4.081 -4.653 3.129 1.00 10.00 C ATOM 633 O LEU A 42 -4.769 -4.042 2.311 1.00 10.00 O ATOM 634 CB LEU A 42 -2.966 -3.493 5.059 1.00 10.00 C ATOM 635 CG LEU A 42 -3.055 -2.785 6.426 1.00 10.00 C ATOM 636 CD1 LEU A 42 -4.354 -1.990 6.574 1.00 10.00 C ATOM 637 CD2 LEU A 42 -2.907 -3.745 7.604 1.00 10.00 C ATOM 0 H LEU A 42 -3.362 -5.745 5.875 1.00 10.00 H new ATOM 0 HA LEU A 42 -5.099 -3.730 4.743 1.00 10.00 H new ATOM 0 HB2 LEU A 42 -2.102 -4.157 5.077 1.00 10.00 H new ATOM 0 HB3 LEU A 42 -2.772 -2.737 4.298 1.00 10.00 H new ATOM 0 HG LEU A 42 -2.212 -2.095 6.448 1.00 10.00 H new ATOM 0 HD11 LEU A 42 -4.376 -1.507 7.551 1.00 10.00 H new ATOM 0 HD12 LEU A 42 -4.407 -1.231 5.793 1.00 10.00 H new ATOM 0 HD13 LEU A 42 -5.206 -2.664 6.483 1.00 10.00 H new ATOM 0 HD21 LEU A 42 -2.978 -3.188 8.538 1.00 10.00 H new ATOM 0 HD22 LEU A 42 -3.699 -4.493 7.566 1.00 10.00 H new ATOM 0 HD23 LEU A 42 -1.938 -4.241 7.550 1.00 10.00 H new ATOM 649 N VAL A 43 -3.276 -5.652 2.746 1.00 10.00 N ATOM 650 CA VAL A 43 -3.306 -6.190 1.383 1.00 10.00 C ATOM 651 C VAL A 43 -4.740 -6.607 0.984 1.00 10.00 C ATOM 652 O VAL A 43 -5.167 -6.417 -0.158 1.00 10.00 O ATOM 653 CB VAL A 43 -2.228 -7.281 1.186 1.00 10.00 C ATOM 654 CG1 VAL A 43 -2.717 -8.729 1.250 1.00 10.00 C ATOM 655 CG2 VAL A 43 -1.576 -7.132 -0.189 1.00 10.00 C ATOM 0 H VAL A 43 -2.598 -6.102 3.360 1.00 10.00 H new ATOM 0 HA VAL A 43 -3.034 -5.403 0.679 1.00 10.00 H new ATOM 0 HB VAL A 43 -1.550 -7.116 2.024 1.00 10.00 H new ATOM 0 HG11 VAL A 43 -1.875 -9.404 1.098 1.00 10.00 H new ATOM 0 HG12 VAL A 43 -3.164 -8.919 2.226 1.00 10.00 H new ATOM 0 HG13 VAL A 43 -3.461 -8.896 0.471 1.00 10.00 H new ATOM 0 HG21 VAL A 43 -0.818 -7.905 -0.318 1.00 10.00 H new ATOM 0 HG22 VAL A 43 -2.335 -7.235 -0.965 1.00 10.00 H new ATOM 0 HG23 VAL A 43 -1.109 -6.150 -0.266 1.00 10.00 H new ATOM 665 N LYS A 44 -5.529 -7.098 1.953 1.00 10.00 N ATOM 666 CA LYS A 44 -6.961 -7.322 1.771 1.00 10.00 C ATOM 667 C LYS A 44 -7.733 -6.018 1.471 1.00 10.00 C ATOM 668 O LYS A 44 -8.544 -5.988 0.549 1.00 10.00 O ATOM 669 CB LYS A 44 -7.603 -8.121 2.924 1.00 10.00 C ATOM 670 CG LYS A 44 -6.899 -9.413 3.389 1.00 10.00 C ATOM 671 CD LYS A 44 -6.765 -10.523 2.328 1.00 10.00 C ATOM 672 CE LYS A 44 -5.308 -10.970 2.092 1.00 10.00 C ATOM 673 NZ LYS A 44 -5.033 -12.350 2.543 1.00 10.00 N ATOM 0 H LYS A 44 -5.187 -7.349 2.881 1.00 10.00 H new ATOM 0 HA LYS A 44 -7.045 -7.950 0.884 1.00 10.00 H new ATOM 0 HB2 LYS A 44 -7.686 -7.457 3.785 1.00 10.00 H new ATOM 0 HB3 LYS A 44 -8.618 -8.383 2.625 1.00 10.00 H new ATOM 0 HG2 LYS A 44 -5.902 -9.153 3.744 1.00 10.00 H new ATOM 0 HG3 LYS A 44 -7.446 -9.816 4.242 1.00 10.00 H new ATOM 0 HD2 LYS A 44 -7.356 -11.385 2.637 1.00 10.00 H new ATOM 0 HD3 LYS A 44 -7.186 -10.169 1.387 1.00 10.00 H new ATOM 0 HE2 LYS A 44 -5.080 -10.892 1.029 1.00 10.00 H new ATOM 0 HE3 LYS A 44 -4.638 -10.286 2.613 1.00 10.00 H new ATOM 0 HZ1 LYS A 44 -4.548 -12.325 3.463 1.00 10.00 H new ATOM 0 HZ2 LYS A 44 -5.929 -12.869 2.639 1.00 10.00 H new ATOM 0 HZ3 LYS A 44 -4.428 -12.829 1.846 1.00 10.00 H new ATOM 687 N SER A 45 -7.471 -4.916 2.184 1.00 10.00 N ATOM 688 CA SER A 45 -8.077 -3.617 1.880 1.00 10.00 C ATOM 689 C SER A 45 -7.673 -3.159 0.473 1.00 10.00 C ATOM 690 O SER A 45 -8.468 -2.583 -0.265 1.00 10.00 O ATOM 691 CB SER A 45 -7.660 -2.563 2.917 1.00 10.00 C ATOM 692 OG SER A 45 -8.039 -2.949 4.224 1.00 10.00 O ATOM 0 H SER A 45 -6.837 -4.900 2.983 1.00 10.00 H new ATOM 0 HA SER A 45 -9.160 -3.729 1.920 1.00 10.00 H new ATOM 0 HB2 SER A 45 -6.580 -2.418 2.877 1.00 10.00 H new ATOM 0 HB3 SER A 45 -8.120 -1.606 2.671 1.00 10.00 H new ATOM 0 HG SER A 45 -7.985 -2.175 4.822 1.00 10.00 H new ATOM 698 N VAL A 46 -6.424 -3.440 0.092 1.00 10.00 N ATOM 699 CA VAL A 46 -5.887 -3.050 -1.202 1.00 10.00 C ATOM 700 C VAL A 46 -6.633 -3.734 -2.351 1.00 10.00 C ATOM 701 O VAL A 46 -7.177 -3.061 -3.227 1.00 10.00 O ATOM 702 CB VAL A 46 -4.372 -3.278 -1.227 1.00 10.00 C ATOM 703 CG1 VAL A 46 -3.750 -3.389 -2.622 1.00 10.00 C ATOM 704 CG2 VAL A 46 -3.645 -2.213 -0.416 1.00 10.00 C ATOM 0 H VAL A 46 -5.760 -3.946 0.678 1.00 10.00 H new ATOM 0 HA VAL A 46 -6.050 -1.983 -1.354 1.00 10.00 H new ATOM 0 HB VAL A 46 -4.239 -4.258 -0.769 1.00 10.00 H new ATOM 0 HG11 VAL A 46 -2.676 -3.549 -2.530 1.00 10.00 H new ATOM 0 HG12 VAL A 46 -4.198 -4.228 -3.154 1.00 10.00 H new ATOM 0 HG13 VAL A 46 -3.933 -2.469 -3.176 1.00 10.00 H new ATOM 0 HG21 VAL A 46 -2.572 -2.399 -0.451 1.00 10.00 H new ATOM 0 HG22 VAL A 46 -3.857 -1.229 -0.835 1.00 10.00 H new ATOM 0 HG23 VAL A 46 -3.986 -2.248 0.619 1.00 10.00 H new ATOM 714 N LYS A 47 -6.705 -5.068 -2.326 1.00 10.00 N ATOM 715 CA LYS A 47 -7.446 -5.836 -3.331 1.00 10.00 C ATOM 716 C LYS A 47 -8.917 -5.400 -3.428 1.00 10.00 C ATOM 717 O LYS A 47 -9.502 -5.397 -4.507 1.00 10.00 O ATOM 718 CB LYS A 47 -7.262 -7.334 -3.063 1.00 10.00 C ATOM 719 CG LYS A 47 -8.344 -7.940 -2.159 1.00 10.00 C ATOM 720 CD LYS A 47 -7.783 -9.098 -1.331 1.00 10.00 C ATOM 721 CE LYS A 47 -7.946 -10.467 -1.999 1.00 10.00 C ATOM 722 NZ LYS A 47 -9.334 -10.963 -1.861 1.00 10.00 N ATOM 0 H LYS A 47 -6.255 -5.643 -1.614 1.00 10.00 H new ATOM 0 HA LYS A 47 -7.036 -5.626 -4.319 1.00 10.00 H new ATOM 0 HB2 LYS A 47 -7.257 -7.866 -4.015 1.00 10.00 H new ATOM 0 HB3 LYS A 47 -6.287 -7.494 -2.604 1.00 10.00 H new ATOM 0 HG2 LYS A 47 -8.740 -7.172 -1.495 1.00 10.00 H new ATOM 0 HG3 LYS A 47 -9.176 -8.294 -2.768 1.00 10.00 H new ATOM 0 HD2 LYS A 47 -6.724 -8.919 -1.143 1.00 10.00 H new ATOM 0 HD3 LYS A 47 -8.281 -9.115 -0.362 1.00 10.00 H new ATOM 0 HE2 LYS A 47 -7.686 -10.394 -3.055 1.00 10.00 H new ATOM 0 HE3 LYS A 47 -7.255 -11.180 -1.549 1.00 10.00 H new ATOM 0 HZ1 LYS A 47 -9.418 -11.892 -2.322 1.00 10.00 H new ATOM 0 HZ2 LYS A 47 -9.572 -11.054 -0.853 1.00 10.00 H new ATOM 0 HZ3 LYS A 47 -9.989 -10.292 -2.312 1.00 10.00 H new ATOM 736 N THR A 48 -9.489 -4.979 -2.297 1.00 10.00 N ATOM 737 CA THR A 48 -10.873 -4.518 -2.205 1.00 10.00 C ATOM 738 C THR A 48 -11.068 -3.144 -2.860 1.00 10.00 C ATOM 739 O THR A 48 -12.152 -2.874 -3.373 1.00 10.00 O ATOM 740 CB THR A 48 -11.298 -4.500 -0.725 1.00 10.00 C ATOM 741 OG1 THR A 48 -11.417 -5.835 -0.277 1.00 10.00 O ATOM 742 CG2 THR A 48 -12.634 -3.800 -0.465 1.00 10.00 C ATOM 0 H THR A 48 -8.994 -4.949 -1.406 1.00 10.00 H new ATOM 0 HA THR A 48 -11.509 -5.210 -2.756 1.00 10.00 H new ATOM 0 HB THR A 48 -10.531 -3.938 -0.191 1.00 10.00 H new ATOM 0 HG1 THR A 48 -10.552 -6.144 0.064 1.00 10.00 H new ATOM 0 HG21 THR A 48 -12.860 -3.831 0.601 1.00 10.00 H new ATOM 0 HG22 THR A 48 -12.571 -2.762 -0.792 1.00 10.00 H new ATOM 0 HG23 THR A 48 -13.424 -4.307 -1.018 1.00 10.00 H new ATOM 750 N GLY A 49 -10.046 -2.280 -2.871 1.00 10.00 N ATOM 751 CA GLY A 49 -10.183 -0.926 -3.407 1.00 10.00 C ATOM 752 C GLY A 49 -10.959 -0.012 -2.457 1.00 10.00 C ATOM 753 O GLY A 49 -12.188 0.019 -2.458 1.00 10.00 O ATOM 0 H GLY A 49 -9.116 -2.497 -2.514 1.00 10.00 H new ATOM 0 HA2 GLY A 49 -9.194 -0.505 -3.588 1.00 10.00 H new ATOM 0 HA3 GLY A 49 -10.693 -0.966 -4.369 1.00 10.00 H new ATOM 757 N LEU A 50 -10.236 0.730 -1.619 1.00 10.00 N ATOM 758 CA LEU A 50 -10.825 1.689 -0.691 1.00 10.00 C ATOM 759 C LEU A 50 -11.514 2.848 -1.432 1.00 10.00 C ATOM 760 O LEU A 50 -11.380 3.006 -2.637 1.00 10.00 O ATOM 761 CB LEU A 50 -9.705 2.162 0.242 1.00 10.00 C ATOM 762 CG LEU A 50 -10.105 2.774 1.591 1.00 10.00 C ATOM 763 CD1 LEU A 50 -11.020 1.870 2.423 1.00 10.00 C ATOM 764 CD2 LEU A 50 -8.803 2.984 2.367 1.00 10.00 C ATOM 0 H LEU A 50 -9.219 0.681 -1.566 1.00 10.00 H new ATOM 0 HA LEU A 50 -11.617 1.223 -0.104 1.00 10.00 H new ATOM 0 HB2 LEU A 50 -9.054 1.311 0.441 1.00 10.00 H new ATOM 0 HB3 LEU A 50 -9.110 2.900 -0.297 1.00 10.00 H new ATOM 0 HG LEU A 50 -10.660 3.694 1.406 1.00 10.00 H new ATOM 0 HD11 LEU A 50 -11.263 2.365 3.363 1.00 10.00 H new ATOM 0 HD12 LEU A 50 -11.938 1.672 1.869 1.00 10.00 H new ATOM 0 HD13 LEU A 50 -10.511 0.928 2.630 1.00 10.00 H new ATOM 0 HD21 LEU A 50 -9.026 3.420 3.341 1.00 10.00 H new ATOM 0 HD22 LEU A 50 -8.303 2.025 2.504 1.00 10.00 H new ATOM 0 HD23 LEU A 50 -8.151 3.657 1.809 1.00 10.00 H new ATOM 776 N ASN A 51 -12.256 3.689 -0.717 1.00 10.00 N ATOM 777 CA ASN A 51 -13.130 4.717 -1.307 1.00 10.00 C ATOM 778 C ASN A 51 -12.427 5.555 -2.378 1.00 10.00 C ATOM 779 O ASN A 51 -12.839 5.614 -3.533 1.00 10.00 O ATOM 780 CB ASN A 51 -13.684 5.645 -0.215 1.00 10.00 C ATOM 781 CG ASN A 51 -14.075 4.831 0.998 1.00 10.00 C ATOM 782 OD1 ASN A 51 -13.114 4.669 1.896 1.00 10.00 O flip ATOM 783 ND2 ASN A 51 -15.146 4.244 1.073 1.00 10.00 N flip ATOM 0 H ASN A 51 -12.272 3.681 0.303 1.00 10.00 H new ATOM 0 HA ASN A 51 -13.946 4.182 -1.793 1.00 10.00 H new ATOM 0 HB2 ASN A 51 -12.934 6.387 0.060 1.00 10.00 H new ATOM 0 HB3 ASN A 51 -14.549 6.191 -0.593 1.00 10.00 H new ATOM 0 HD21 ASN A 51 -15.861 4.395 0.362 1.00 10.00 H new ATOM 0 HD22 ASN A 51 -15.323 3.604 1.847 1.00 10.00 H new ATOM 790 N ALA A 52 -11.337 6.190 -1.951 1.00 10.00 N ATOM 791 CA ALA A 52 -10.418 6.938 -2.796 1.00 10.00 C ATOM 792 C ALA A 52 -9.193 6.105 -3.230 1.00 10.00 C ATOM 793 O ALA A 52 -8.155 6.684 -3.551 1.00 10.00 O ATOM 794 CB ALA A 52 -10.030 8.212 -2.037 1.00 10.00 C ATOM 0 H ALA A 52 -11.062 6.196 -0.969 1.00 10.00 H new ATOM 0 HA ALA A 52 -10.908 7.201 -3.734 1.00 10.00 H new ATOM 0 HB1 ALA A 52 -9.339 8.800 -2.642 1.00 10.00 H new ATOM 0 HB2 ALA A 52 -10.924 8.800 -1.832 1.00 10.00 H new ATOM 0 HB3 ALA A 52 -9.550 7.943 -1.096 1.00 10.00 H new ATOM 800 N MET A 53 -9.303 4.765 -3.268 1.00 10.00 N ATOM 801 CA MET A 53 -8.253 3.893 -3.825 1.00 10.00 C ATOM 802 C MET A 53 -8.770 2.815 -4.817 1.00 10.00 C ATOM 803 O MET A 53 -9.640 2.023 -4.463 1.00 10.00 O ATOM 804 CB MET A 53 -7.477 3.245 -2.671 1.00 10.00 C ATOM 805 CG MET A 53 -6.180 2.632 -3.201 1.00 10.00 C ATOM 806 SD MET A 53 -5.028 1.884 -2.022 1.00 10.00 S ATOM 807 CE MET A 53 -6.050 0.658 -1.183 1.00 10.00 C ATOM 0 H MET A 53 -10.116 4.259 -2.916 1.00 10.00 H new ATOM 0 HA MET A 53 -7.599 4.529 -4.421 1.00 10.00 H new ATOM 0 HB2 MET A 53 -7.253 3.990 -1.907 1.00 10.00 H new ATOM 0 HB3 MET A 53 -8.087 2.476 -2.197 1.00 10.00 H new ATOM 0 HG2 MET A 53 -6.449 1.868 -3.930 1.00 10.00 H new ATOM 0 HG3 MET A 53 -5.642 3.412 -3.740 1.00 10.00 H new ATOM 0 HE1 MET A 53 -5.462 0.160 -0.412 1.00 10.00 H new ATOM 0 HE2 MET A 53 -6.906 1.151 -0.723 1.00 10.00 H new ATOM 0 HE3 MET A 53 -6.400 -0.079 -1.905 1.00 10.00 H new ATOM 817 N PRO A 54 -8.221 2.700 -6.043 1.00 10.00 N ATOM 818 CA PRO A 54 -8.671 1.691 -7.004 1.00 10.00 C ATOM 819 C PRO A 54 -8.413 0.247 -6.525 1.00 10.00 C ATOM 820 O PRO A 54 -7.551 0.010 -5.672 1.00 10.00 O ATOM 821 CB PRO A 54 -7.950 2.021 -8.319 1.00 10.00 C ATOM 822 CG PRO A 54 -6.699 2.763 -7.864 1.00 10.00 C ATOM 823 CD PRO A 54 -7.148 3.504 -6.608 1.00 10.00 C ATOM 0 HA PRO A 54 -9.753 1.727 -7.130 1.00 10.00 H new ATOM 0 HB2 PRO A 54 -7.700 1.119 -8.877 1.00 10.00 H new ATOM 0 HB3 PRO A 54 -8.568 2.638 -8.971 1.00 10.00 H new ATOM 0 HG2 PRO A 54 -5.881 2.074 -7.651 1.00 10.00 H new ATOM 0 HG3 PRO A 54 -6.343 3.453 -8.629 1.00 10.00 H new ATOM 0 HD2 PRO A 54 -6.325 3.612 -5.901 1.00 10.00 H new ATOM 0 HD3 PRO A 54 -7.496 4.509 -6.849 1.00 10.00 H new ATOM 831 N PRO A 55 -9.166 -0.734 -7.058 1.00 10.00 N ATOM 832 CA PRO A 55 -9.091 -2.129 -6.639 1.00 10.00 C ATOM 833 C PRO A 55 -7.719 -2.716 -6.968 1.00 10.00 C ATOM 834 O PRO A 55 -7.211 -2.550 -8.074 1.00 10.00 O ATOM 835 CB PRO A 55 -10.230 -2.841 -7.376 1.00 10.00 C ATOM 836 CG PRO A 55 -10.386 -2.010 -8.647 1.00 10.00 C ATOM 837 CD PRO A 55 -10.115 -0.589 -8.153 1.00 10.00 C ATOM 0 HA PRO A 55 -9.204 -2.247 -5.561 1.00 10.00 H new ATOM 0 HB2 PRO A 55 -9.980 -3.878 -7.600 1.00 10.00 H new ATOM 0 HB3 PRO A 55 -11.147 -2.854 -6.787 1.00 10.00 H new ATOM 0 HG2 PRO A 55 -9.678 -2.313 -9.418 1.00 10.00 H new ATOM 0 HG3 PRO A 55 -11.384 -2.107 -9.075 1.00 10.00 H new ATOM 0 HD2 PRO A 55 -9.704 0.032 -8.949 1.00 10.00 H new ATOM 0 HD3 PRO A 55 -11.033 -0.109 -7.816 1.00 10.00 H new ATOM 845 N GLY A 56 -7.084 -3.356 -5.983 1.00 10.00 N ATOM 846 CA GLY A 56 -5.701 -3.783 -6.120 1.00 10.00 C ATOM 847 C GLY A 56 -4.720 -2.608 -6.079 1.00 10.00 C ATOM 848 O GLY A 56 -3.614 -2.702 -6.610 1.00 10.00 O ATOM 0 H GLY A 56 -7.510 -3.587 -5.085 1.00 10.00 H new ATOM 0 HA2 GLY A 56 -5.459 -4.483 -5.320 1.00 10.00 H new ATOM 0 HA3 GLY A 56 -5.581 -4.320 -7.061 1.00 10.00 H new ATOM 852 N GLY A 57 -5.093 -1.493 -5.438 1.00 10.00 N ATOM 853 CA GLY A 57 -4.189 -0.382 -5.144 1.00 10.00 C ATOM 854 C GLY A 57 -3.909 0.534 -6.342 1.00 10.00 C ATOM 855 O GLY A 57 -3.948 1.755 -6.199 1.00 10.00 O ATOM 0 H GLY A 57 -6.045 -1.339 -5.106 1.00 10.00 H new ATOM 0 HA2 GLY A 57 -4.614 0.214 -4.337 1.00 10.00 H new ATOM 0 HA3 GLY A 57 -3.244 -0.784 -4.779 1.00 10.00 H new ATOM 859 N MET A 58 -3.615 -0.063 -7.503 1.00 10.00 N ATOM 860 CA MET A 58 -3.476 0.567 -8.815 1.00 10.00 C ATOM 861 C MET A 58 -3.277 -0.508 -9.896 1.00 10.00 C ATOM 862 O MET A 58 -3.928 -0.496 -10.936 1.00 10.00 O ATOM 863 CB MET A 58 -2.298 1.561 -8.818 1.00 10.00 C ATOM 864 CG MET A 58 -2.586 2.850 -9.601 1.00 10.00 C ATOM 865 SD MET A 58 -1.500 3.215 -11.005 1.00 10.00 S ATOM 866 CE MET A 58 -2.224 2.169 -12.279 1.00 10.00 C ATOM 0 H MET A 58 -3.458 -1.070 -7.550 1.00 10.00 H new ATOM 0 HA MET A 58 -4.388 1.121 -9.035 1.00 10.00 H new ATOM 0 HB2 MET A 58 -2.048 1.819 -7.789 1.00 10.00 H new ATOM 0 HB3 MET A 58 -1.422 1.073 -9.246 1.00 10.00 H new ATOM 0 HG2 MET A 58 -3.611 2.802 -9.968 1.00 10.00 H new ATOM 0 HG3 MET A 58 -2.535 3.688 -8.906 1.00 10.00 H new ATOM 0 HE1 MET A 58 -1.685 2.311 -13.216 1.00 10.00 H new ATOM 0 HE2 MET A 58 -2.155 1.125 -11.975 1.00 10.00 H new ATOM 0 HE3 MET A 58 -3.271 2.438 -12.419 1.00 10.00 H new ATOM 876 N CYS A 59 -2.355 -1.438 -9.626 1.00 10.00 N ATOM 877 CA CYS A 59 -2.028 -2.584 -10.469 1.00 10.00 C ATOM 878 C CYS A 59 -3.058 -3.709 -10.288 1.00 10.00 C ATOM 879 O CYS A 59 -3.347 -4.088 -9.156 1.00 10.00 O ATOM 880 CB CYS A 59 -0.655 -3.094 -10.028 1.00 10.00 C ATOM 881 SG CYS A 59 -0.061 -4.583 -10.861 1.00 10.00 S ATOM 0 H CYS A 59 -1.793 -1.408 -8.775 1.00 10.00 H new ATOM 0 HA CYS A 59 -2.031 -2.285 -11.517 1.00 10.00 H new ATOM 0 HB2 CYS A 59 0.074 -2.299 -10.184 1.00 10.00 H new ATOM 0 HB3 CYS A 59 -0.689 -3.290 -8.956 1.00 10.00 H new ATOM 886 N THR A 60 -3.574 -4.260 -11.390 1.00 10.00 N ATOM 887 CA THR A 60 -4.459 -5.432 -11.375 1.00 10.00 C ATOM 888 C THR A 60 -3.634 -6.719 -11.461 1.00 10.00 C ATOM 889 O THR A 60 -3.788 -7.646 -10.669 1.00 10.00 O ATOM 890 CB THR A 60 -5.454 -5.345 -12.545 1.00 10.00 C ATOM 891 OG1 THR A 60 -6.247 -4.188 -12.397 1.00 10.00 O ATOM 892 CG2 THR A 60 -6.398 -6.550 -12.594 1.00 10.00 C ATOM 0 H THR A 60 -3.389 -3.903 -12.327 1.00 10.00 H new ATOM 0 HA THR A 60 -5.018 -5.448 -10.440 1.00 10.00 H new ATOM 0 HB THR A 60 -4.868 -5.320 -13.464 1.00 10.00 H new ATOM 0 HG1 THR A 60 -6.881 -4.129 -13.142 1.00 10.00 H new ATOM 0 HG21 THR A 60 -7.081 -6.443 -13.436 1.00 10.00 H new ATOM 0 HG22 THR A 60 -5.816 -7.464 -12.713 1.00 10.00 H new ATOM 0 HG23 THR A 60 -6.970 -6.602 -11.667 1.00 10.00 H new ATOM 900 N ASP A 61 -2.729 -6.759 -12.433 1.00 10.00 N ATOM 901 CA ASP A 61 -1.806 -7.832 -12.741 1.00 10.00 C ATOM 902 C ASP A 61 -0.612 -7.796 -11.771 1.00 10.00 C ATOM 903 O ASP A 61 0.541 -7.650 -12.168 1.00 10.00 O ATOM 904 CB ASP A 61 -1.429 -7.715 -14.235 1.00 10.00 C ATOM 905 CG ASP A 61 -1.029 -6.319 -14.732 1.00 10.00 C ATOM 906 OD1 ASP A 61 -1.403 -5.312 -14.082 1.00 10.00 O ATOM 907 OD2 ASP A 61 -0.408 -6.281 -15.813 1.00 10.00 O ATOM 0 H ASP A 61 -2.618 -5.974 -13.075 1.00 10.00 H new ATOM 0 HA ASP A 61 -2.254 -8.815 -12.596 1.00 10.00 H new ATOM 0 HB2 ASP A 61 -0.603 -8.398 -14.433 1.00 10.00 H new ATOM 0 HB3 ASP A 61 -2.276 -8.059 -14.829 1.00 10.00 H new ATOM 912 N CYS A 62 -0.921 -7.945 -10.478 1.00 10.00 N ATOM 913 CA CYS A 62 0.029 -8.068 -9.379 1.00 10.00 C ATOM 914 C CYS A 62 -0.377 -9.212 -8.439 1.00 10.00 C ATOM 915 O CYS A 62 -1.565 -9.485 -8.266 1.00 10.00 O ATOM 916 CB CYS A 62 0.102 -6.745 -8.611 1.00 10.00 C ATOM 917 SG CYS A 62 1.137 -5.475 -9.368 1.00 10.00 S ATOM 0 H CYS A 62 -1.889 -7.984 -10.160 1.00 10.00 H new ATOM 0 HA CYS A 62 1.013 -8.298 -9.787 1.00 10.00 H new ATOM 0 HB2 CYS A 62 -0.908 -6.350 -8.501 1.00 10.00 H new ATOM 0 HB3 CYS A 62 0.476 -6.946 -7.607 1.00 10.00 H new ATOM 922 N THR A 63 0.609 -9.869 -7.826 1.00 10.00 N ATOM 923 CA THR A 63 0.442 -11.004 -6.921 1.00 10.00 C ATOM 924 C THR A 63 0.760 -10.574 -5.480 1.00 10.00 C ATOM 925 O THR A 63 1.485 -9.607 -5.241 1.00 10.00 O ATOM 926 CB THR A 63 1.353 -12.150 -7.404 1.00 10.00 C ATOM 927 OG1 THR A 63 1.050 -12.459 -8.749 1.00 10.00 O ATOM 928 CG2 THR A 63 1.181 -13.450 -6.616 1.00 10.00 C ATOM 0 H THR A 63 1.588 -9.612 -7.953 1.00 10.00 H new ATOM 0 HA THR A 63 -0.589 -11.358 -6.926 1.00 10.00 H new ATOM 0 HB THR A 63 2.372 -11.789 -7.267 1.00 10.00 H new ATOM 0 HG1 THR A 63 1.630 -13.186 -9.056 1.00 10.00 H new ATOM 0 HG21 THR A 63 1.855 -14.209 -7.014 1.00 10.00 H new ATOM 0 HG22 THR A 63 1.414 -13.273 -5.566 1.00 10.00 H new ATOM 0 HG23 THR A 63 0.151 -13.796 -6.706 1.00 10.00 H new ATOM 936 N ASP A 64 0.207 -11.285 -4.489 1.00 10.00 N ATOM 937 CA ASP A 64 0.448 -11.048 -3.069 1.00 10.00 C ATOM 938 C ASP A 64 1.937 -10.859 -2.736 1.00 10.00 C ATOM 939 O ASP A 64 2.277 -10.000 -1.932 1.00 10.00 O ATOM 940 CB ASP A 64 -0.135 -12.228 -2.290 1.00 10.00 C ATOM 941 CG ASP A 64 -1.551 -11.980 -1.791 1.00 10.00 C ATOM 942 OD1 ASP A 64 -1.670 -11.287 -0.757 1.00 10.00 O ATOM 943 OD2 ASP A 64 -2.488 -12.508 -2.426 1.00 10.00 O ATOM 0 H ASP A 64 -0.435 -12.058 -4.662 1.00 10.00 H new ATOM 0 HA ASP A 64 -0.038 -10.115 -2.785 1.00 10.00 H new ATOM 0 HB2 ASP A 64 -0.132 -13.112 -2.927 1.00 10.00 H new ATOM 0 HB3 ASP A 64 0.510 -12.446 -1.439 1.00 10.00 H new ATOM 948 N GLU A 65 2.831 -11.643 -3.342 1.00 10.00 N ATOM 949 CA GLU A 65 4.270 -11.511 -3.133 1.00 10.00 C ATOM 950 C GLU A 65 4.771 -10.097 -3.473 1.00 10.00 C ATOM 951 O GLU A 65 5.438 -9.464 -2.651 1.00 10.00 O ATOM 952 CB GLU A 65 4.996 -12.631 -3.892 1.00 10.00 C ATOM 953 CG GLU A 65 4.857 -12.527 -5.418 1.00 10.00 C ATOM 954 CD GLU A 65 5.292 -13.801 -6.128 1.00 10.00 C ATOM 955 OE1 GLU A 65 6.489 -14.139 -6.004 1.00 10.00 O ATOM 956 OE2 GLU A 65 4.408 -14.432 -6.747 1.00 10.00 O ATOM 0 H GLU A 65 2.575 -12.387 -3.991 1.00 10.00 H new ATOM 0 HA GLU A 65 4.501 -11.634 -2.075 1.00 10.00 H new ATOM 0 HB2 GLU A 65 6.054 -12.611 -3.629 1.00 10.00 H new ATOM 0 HB3 GLU A 65 4.605 -13.594 -3.564 1.00 10.00 H new ATOM 0 HG2 GLU A 65 3.820 -12.309 -5.672 1.00 10.00 H new ATOM 0 HG3 GLU A 65 5.456 -11.691 -5.779 1.00 10.00 H new ATOM 963 N ASP A 66 4.372 -9.554 -4.629 1.00 10.00 N ATOM 964 CA ASP A 66 4.790 -8.227 -5.066 1.00 10.00 C ATOM 965 C ASP A 66 4.075 -7.175 -4.207 1.00 10.00 C ATOM 966 O ASP A 66 4.700 -6.234 -3.715 1.00 10.00 O ATOM 967 CB ASP A 66 4.507 -8.010 -6.568 1.00 10.00 C ATOM 968 CG ASP A 66 4.412 -9.276 -7.390 1.00 10.00 C ATOM 969 OD1 ASP A 66 5.470 -9.892 -7.619 1.00 10.00 O ATOM 970 OD2 ASP A 66 3.265 -9.593 -7.769 1.00 10.00 O ATOM 0 H ASP A 66 3.750 -10.027 -5.285 1.00 10.00 H new ATOM 0 HA ASP A 66 5.868 -8.130 -4.935 1.00 10.00 H new ATOM 0 HB2 ASP A 66 3.573 -7.457 -6.670 1.00 10.00 H new ATOM 0 HB3 ASP A 66 5.296 -7.383 -6.984 1.00 10.00 H new ATOM 975 N TYR A 67 2.768 -7.362 -3.974 1.00 10.00 N ATOM 976 CA TYR A 67 2.006 -6.461 -3.106 1.00 10.00 C ATOM 977 C TYR A 67 2.630 -6.346 -1.710 1.00 10.00 C ATOM 978 O TYR A 67 2.840 -5.250 -1.193 1.00 10.00 O ATOM 979 CB TYR A 67 0.557 -6.941 -2.964 1.00 10.00 C ATOM 980 CG TYR A 67 -0.371 -6.564 -4.095 1.00 10.00 C ATOM 981 CD1 TYR A 67 -0.666 -5.207 -4.312 1.00 10.00 C ATOM 982 CD2 TYR A 67 -1.092 -7.553 -4.788 1.00 10.00 C ATOM 983 CE1 TYR A 67 -1.577 -4.835 -5.313 1.00 10.00 C ATOM 984 CE2 TYR A 67 -2.042 -7.180 -5.753 1.00 10.00 C ATOM 985 CZ TYR A 67 -2.273 -5.825 -6.027 1.00 10.00 C ATOM 986 OH TYR A 67 -3.244 -5.493 -6.916 1.00 10.00 O ATOM 0 H TYR A 67 2.222 -8.125 -4.373 1.00 10.00 H new ATOM 0 HA TYR A 67 2.027 -5.479 -3.578 1.00 10.00 H new ATOM 0 HB2 TYR A 67 0.561 -8.027 -2.868 1.00 10.00 H new ATOM 0 HB3 TYR A 67 0.150 -6.540 -2.036 1.00 10.00 H new ATOM 0 HD1 TYR A 67 -0.191 -4.449 -3.707 1.00 10.00 H new ATOM 0 HD2 TYR A 67 -0.915 -8.598 -4.578 1.00 10.00 H new ATOM 0 HE1 TYR A 67 -1.742 -3.791 -5.534 1.00 10.00 H new ATOM 0 HE2 TYR A 67 -2.596 -7.939 -6.285 1.00 10.00 H new ATOM 0 HH TYR A 67 -2.856 -4.956 -7.638 1.00 10.00 H new ATOM 996 N LYS A 68 2.921 -7.490 -1.092 1.00 10.00 N ATOM 997 CA LYS A 68 3.454 -7.562 0.255 1.00 10.00 C ATOM 998 C LYS A 68 4.862 -6.991 0.255 1.00 10.00 C ATOM 999 O LYS A 68 5.095 -6.041 0.980 1.00 10.00 O ATOM 1000 CB LYS A 68 3.386 -8.980 0.836 1.00 10.00 C ATOM 1001 CG LYS A 68 1.926 -9.336 1.150 1.00 10.00 C ATOM 1002 CD LYS A 68 1.783 -10.740 1.753 1.00 10.00 C ATOM 1003 CE LYS A 68 1.974 -10.717 3.277 1.00 10.00 C ATOM 1004 NZ LYS A 68 1.708 -12.046 3.867 1.00 10.00 N ATOM 0 H LYS A 68 2.789 -8.404 -1.526 1.00 10.00 H new ATOM 0 HA LYS A 68 2.833 -6.960 0.918 1.00 10.00 H new ATOM 0 HB2 LYS A 68 3.801 -9.695 0.126 1.00 10.00 H new ATOM 0 HB3 LYS A 68 3.989 -9.043 1.742 1.00 10.00 H new ATOM 0 HG2 LYS A 68 1.517 -8.602 1.844 1.00 10.00 H new ATOM 0 HG3 LYS A 68 1.335 -9.274 0.236 1.00 10.00 H new ATOM 0 HD2 LYS A 68 0.798 -11.142 1.514 1.00 10.00 H new ATOM 0 HD3 LYS A 68 2.517 -11.408 1.303 1.00 10.00 H new ATOM 0 HE2 LYS A 68 2.992 -10.407 3.514 1.00 10.00 H new ATOM 0 HE3 LYS A 68 1.305 -9.979 3.719 1.00 10.00 H new ATOM 0 HZ1 LYS A 68 1.844 -12.002 4.897 1.00 10.00 H new ATOM 0 HZ2 LYS A 68 0.729 -12.329 3.659 1.00 10.00 H new ATOM 0 HZ3 LYS A 68 2.363 -12.744 3.461 1.00 10.00 H new ATOM 1018 N ALA A 69 5.764 -7.452 -0.616 1.00 10.00 N ATOM 1019 CA ALA A 69 7.076 -6.827 -0.781 1.00 10.00 C ATOM 1020 C ALA A 69 6.996 -5.290 -0.915 1.00 10.00 C ATOM 1021 O ALA A 69 7.811 -4.562 -0.350 1.00 10.00 O ATOM 1022 CB ALA A 69 7.769 -7.468 -1.981 1.00 10.00 C ATOM 0 H ALA A 69 5.607 -8.259 -1.219 1.00 10.00 H new ATOM 0 HA ALA A 69 7.663 -7.002 0.120 1.00 10.00 H new ATOM 0 HB1 ALA A 69 8.750 -7.014 -2.120 1.00 10.00 H new ATOM 0 HB2 ALA A 69 7.886 -8.537 -1.805 1.00 10.00 H new ATOM 0 HB3 ALA A 69 7.167 -7.311 -2.876 1.00 10.00 H new ATOM 1028 N ALA A 70 5.990 -4.782 -1.635 1.00 10.00 N ATOM 1029 CA ALA A 70 5.799 -3.347 -1.855 1.00 10.00 C ATOM 1030 C ALA A 70 5.390 -2.644 -0.551 1.00 10.00 C ATOM 1031 O ALA A 70 6.001 -1.661 -0.133 1.00 10.00 O ATOM 1032 CB ALA A 70 4.776 -3.141 -2.980 1.00 10.00 C ATOM 0 H ALA A 70 5.281 -5.361 -2.084 1.00 10.00 H new ATOM 0 HA ALA A 70 6.739 -2.892 -2.166 1.00 10.00 H new ATOM 0 HB1 ALA A 70 4.630 -2.074 -3.148 1.00 10.00 H new ATOM 0 HB2 ALA A 70 5.143 -3.606 -3.895 1.00 10.00 H new ATOM 0 HB3 ALA A 70 3.827 -3.597 -2.697 1.00 10.00 H new ATOM 1038 N ILE A 71 4.379 -3.192 0.117 1.00 10.00 N ATOM 1039 CA ILE A 71 3.917 -2.784 1.445 1.00 10.00 C ATOM 1040 C ILE A 71 5.038 -2.886 2.513 1.00 10.00 C ATOM 1041 O ILE A 71 5.181 -2.031 3.392 1.00 10.00 O ATOM 1042 CB ILE A 71 2.660 -3.628 1.741 1.00 10.00 C ATOM 1043 CG1 ILE A 71 1.472 -3.121 0.906 1.00 10.00 C ATOM 1044 CG2 ILE A 71 2.361 -3.742 3.235 1.00 10.00 C ATOM 1045 CD1 ILE A 71 0.334 -4.137 0.804 1.00 10.00 C ATOM 0 H ILE A 71 3.835 -3.965 -0.266 1.00 10.00 H new ATOM 0 HA ILE A 71 3.652 -1.727 1.477 1.00 10.00 H new ATOM 0 HB ILE A 71 2.856 -4.654 1.430 1.00 10.00 H new ATOM 0 HG12 ILE A 71 1.091 -2.201 1.349 1.00 10.00 H new ATOM 0 HG13 ILE A 71 1.820 -2.872 -0.097 1.00 10.00 H new ATOM 0 HG21 ILE A 71 1.466 -4.347 3.382 1.00 10.00 H new ATOM 0 HG22 ILE A 71 3.204 -4.213 3.740 1.00 10.00 H new ATOM 0 HG23 ILE A 71 2.199 -2.747 3.651 1.00 10.00 H new ATOM 0 HD11 ILE A 71 -0.474 -3.720 0.203 1.00 10.00 H new ATOM 0 HD12 ILE A 71 0.702 -5.049 0.335 1.00 10.00 H new ATOM 0 HD13 ILE A 71 -0.039 -4.367 1.802 1.00 10.00 H new ATOM 1057 N GLU A 72 5.873 -3.921 2.411 1.00 10.00 N ATOM 1058 CA GLU A 72 7.044 -4.182 3.238 1.00 10.00 C ATOM 1059 C GLU A 72 8.147 -3.162 2.986 1.00 10.00 C ATOM 1060 O GLU A 72 8.779 -2.711 3.939 1.00 10.00 O ATOM 1061 CB GLU A 72 7.522 -5.633 3.087 1.00 10.00 C ATOM 1062 CG GLU A 72 6.547 -6.619 3.757 1.00 10.00 C ATOM 1063 CD GLU A 72 7.081 -8.041 3.806 1.00 10.00 C ATOM 1064 OE1 GLU A 72 7.153 -8.657 2.722 1.00 10.00 O ATOM 1065 OE2 GLU A 72 7.389 -8.485 4.934 1.00 10.00 O ATOM 0 H GLU A 72 5.738 -4.643 1.703 1.00 10.00 H new ATOM 0 HA GLU A 72 6.753 -4.061 4.281 1.00 10.00 H new ATOM 0 HB2 GLU A 72 7.619 -5.877 2.029 1.00 10.00 H new ATOM 0 HB3 GLU A 72 8.512 -5.740 3.531 1.00 10.00 H new ATOM 0 HG2 GLU A 72 6.337 -6.281 4.772 1.00 10.00 H new ATOM 0 HG3 GLU A 72 5.601 -6.610 3.216 1.00 10.00 H new ATOM 1072 N PHE A 73 8.339 -2.746 1.730 1.00 10.00 N ATOM 1073 CA PHE A 73 9.264 -1.658 1.423 1.00 10.00 C ATOM 1074 C PHE A 73 8.995 -0.397 2.269 1.00 10.00 C ATOM 1075 O PHE A 73 9.924 0.306 2.658 1.00 10.00 O ATOM 1076 CB PHE A 73 9.216 -1.346 -0.076 1.00 10.00 C ATOM 1077 CG PHE A 73 10.453 -0.624 -0.567 1.00 10.00 C ATOM 1078 CD1 PHE A 73 10.615 0.755 -0.331 1.00 10.00 C ATOM 1079 CD2 PHE A 73 11.467 -1.344 -1.226 1.00 10.00 C ATOM 1080 CE1 PHE A 73 11.773 1.414 -0.777 1.00 10.00 C ATOM 1081 CE2 PHE A 73 12.628 -0.684 -1.663 1.00 10.00 C ATOM 1082 CZ PHE A 73 12.786 0.691 -1.426 1.00 10.00 C ATOM 0 H PHE A 73 7.869 -3.145 0.917 1.00 10.00 H new ATOM 0 HA PHE A 73 10.269 -1.989 1.686 1.00 10.00 H new ATOM 0 HB2 PHE A 73 9.100 -2.276 -0.632 1.00 10.00 H new ATOM 0 HB3 PHE A 73 8.338 -0.736 -0.287 1.00 10.00 H new ATOM 0 HD1 PHE A 73 9.848 1.306 0.193 1.00 10.00 H new ATOM 0 HD2 PHE A 73 11.353 -2.404 -1.396 1.00 10.00 H new ATOM 0 HE1 PHE A 73 11.884 2.477 -0.620 1.00 10.00 H new ATOM 0 HE2 PHE A 73 13.399 -1.235 -2.181 1.00 10.00 H new ATOM 0 HZ PHE A 73 13.688 1.193 -1.743 1.00 10.00 H new ATOM 1092 N MET A 74 7.718 -0.108 2.550 1.00 10.00 N ATOM 1093 CA MET A 74 7.301 1.058 3.322 1.00 10.00 C ATOM 1094 C MET A 74 7.447 0.847 4.838 1.00 10.00 C ATOM 1095 O MET A 74 8.326 1.440 5.461 1.00 10.00 O ATOM 1096 CB MET A 74 5.869 1.422 2.920 1.00 10.00 C ATOM 1097 CG MET A 74 5.847 1.978 1.481 1.00 10.00 C ATOM 1098 SD MET A 74 4.289 2.656 0.837 1.00 10.00 S ATOM 1099 CE MET A 74 3.464 1.189 0.184 1.00 10.00 C ATOM 0 H MET A 74 6.939 -0.689 2.241 1.00 10.00 H new ATOM 0 HA MET A 74 7.963 1.892 3.090 1.00 10.00 H new ATOM 0 HB2 MET A 74 5.229 0.542 2.988 1.00 10.00 H new ATOM 0 HB3 MET A 74 5.466 2.163 3.611 1.00 10.00 H new ATOM 0 HG2 MET A 74 6.601 2.762 1.417 1.00 10.00 H new ATOM 0 HG3 MET A 74 6.162 1.178 0.812 1.00 10.00 H new ATOM 0 HE1 MET A 74 3.348 1.287 -0.895 1.00 10.00 H new ATOM 0 HE2 MET A 74 4.063 0.306 0.406 1.00 10.00 H new ATOM 0 HE3 MET A 74 2.482 1.087 0.647 1.00 10.00 H new ATOM 1109 N SER A 75 6.588 0.019 5.447 1.00 10.00 N ATOM 1110 CA SER A 75 6.730 -0.382 6.854 1.00 10.00 C ATOM 1111 C SER A 75 5.892 -1.628 7.179 1.00 10.00 C ATOM 1112 O SER A 75 5.192 -1.679 8.188 1.00 10.00 O ATOM 1113 CB SER A 75 6.422 0.785 7.813 1.00 10.00 C ATOM 1114 OG SER A 75 6.934 0.491 9.101 1.00 10.00 O ATOM 0 H SER A 75 5.778 -0.391 4.981 1.00 10.00 H new ATOM 0 HA SER A 75 7.774 -0.653 7.007 1.00 10.00 H new ATOM 0 HB2 SER A 75 6.867 1.706 7.436 1.00 10.00 H new ATOM 0 HB3 SER A 75 5.346 0.950 7.867 1.00 10.00 H new ATOM 0 HG SER A 75 6.539 -0.344 9.427 1.00 10.00 H new ATOM 1120 N LYS A 76 5.958 -2.637 6.304 1.00 10.00 N ATOM 1121 CA LYS A 76 5.307 -3.944 6.443 1.00 10.00 C ATOM 1122 C LYS A 76 3.927 -3.911 7.106 1.00 10.00 C ATOM 1123 O LYS A 76 3.692 -4.597 8.097 1.00 10.00 O ATOM 1124 CB LYS A 76 6.265 -4.967 7.079 1.00 10.00 C ATOM 1125 CG LYS A 76 6.724 -4.598 8.495 1.00 10.00 C ATOM 1126 CD LYS A 76 6.916 -5.846 9.368 1.00 10.00 C ATOM 1127 CE LYS A 76 7.911 -6.841 8.753 1.00 10.00 C ATOM 1128 NZ LYS A 76 8.536 -7.682 9.794 1.00 10.00 N ATOM 0 H LYS A 76 6.492 -2.561 5.438 1.00 10.00 H new ATOM 0 HA LYS A 76 5.084 -4.278 5.430 1.00 10.00 H new ATOM 0 HB2 LYS A 76 5.773 -5.939 7.110 1.00 10.00 H new ATOM 0 HB3 LYS A 76 7.142 -5.074 6.440 1.00 10.00 H new ATOM 0 HG2 LYS A 76 7.660 -4.043 8.442 1.00 10.00 H new ATOM 0 HG3 LYS A 76 5.988 -3.939 8.957 1.00 10.00 H new ATOM 0 HD2 LYS A 76 7.269 -5.546 10.354 1.00 10.00 H new ATOM 0 HD3 LYS A 76 5.954 -6.339 9.510 1.00 10.00 H new ATOM 0 HE2 LYS A 76 7.397 -7.474 8.030 1.00 10.00 H new ATOM 0 HE3 LYS A 76 8.683 -6.298 8.208 1.00 10.00 H new ATOM 0 HZ1 LYS A 76 9.203 -8.345 9.350 1.00 10.00 H new ATOM 0 HZ2 LYS A 76 9.046 -7.077 10.469 1.00 10.00 H new ATOM 0 HZ3 LYS A 76 7.799 -8.217 10.297 1.00 10.00 H new ATOM 1142 N ALA A 77 3.001 -3.151 6.519 1.00 10.00 N ATOM 1143 CA ALA A 77 1.601 -3.151 6.924 1.00 10.00 C ATOM 1144 C ALA A 77 0.683 -2.577 5.847 1.00 10.00 C ATOM 1145 O ALA A 77 0.028 -3.338 5.149 1.00 10.00 O ATOM 1146 CB ALA A 77 1.420 -2.475 8.285 1.00 10.00 C ATOM 0 H ALA A 77 3.205 -2.517 5.747 1.00 10.00 H new ATOM 0 HA ALA A 77 1.294 -4.190 7.043 1.00 10.00 H new ATOM 0 HB1 ALA A 77 0.366 -2.490 8.561 1.00 10.00 H new ATOM 0 HB2 ALA A 77 2.000 -3.010 9.037 1.00 10.00 H new ATOM 0 HB3 ALA A 77 1.765 -1.443 8.227 1.00 10.00 H new ATOM 1152 N LYS A 78 0.603 -1.251 5.742 1.00 10.00 N ATOM 1153 CA LYS A 78 -0.395 -0.560 4.925 1.00 10.00 C ATOM 1154 C LYS A 78 0.093 -0.041 3.556 1.00 10.00 C ATOM 1155 O LYS A 78 -0.492 0.954 3.066 1.00 10.00 O ATOM 1156 CB LYS A 78 -1.041 0.527 5.788 1.00 10.00 C ATOM 1157 CG LYS A 78 -0.113 1.732 5.962 1.00 10.00 C ATOM 1158 CD LYS A 78 -0.875 3.037 5.751 1.00 10.00 C ATOM 1159 CE LYS A 78 -1.560 3.406 7.063 1.00 10.00 C ATOM 1160 NZ LYS A 78 -2.753 4.246 6.862 1.00 10.00 N ATOM 1161 OXT LYS A 78 1.033 -0.643 3.002 1.00 10.00 O ATOM 0 H LYS A 78 1.238 -0.618 6.228 1.00 10.00 H new ATOM 0 HA LYS A 78 -1.137 -1.299 4.622 1.00 10.00 H new ATOM 0 HB2 LYS A 78 -1.975 0.850 5.329 1.00 10.00 H new ATOM 0 HB3 LYS A 78 -1.292 0.115 6.766 1.00 10.00 H new ATOM 0 HG2 LYS A 78 0.325 1.718 6.960 1.00 10.00 H new ATOM 0 HG3 LYS A 78 0.711 1.668 5.252 1.00 10.00 H new ATOM 0 HD2 LYS A 78 -0.193 3.830 5.442 1.00 10.00 H new ATOM 0 HD3 LYS A 78 -1.612 2.923 4.956 1.00 10.00 H new ATOM 0 HE2 LYS A 78 -1.846 2.495 7.588 1.00 10.00 H new ATOM 0 HE3 LYS A 78 -0.852 3.934 7.702 1.00 10.00 H new ATOM 0 HZ1 LYS A 78 -2.551 5.217 7.175 1.00 10.00 H new ATOM 0 HZ2 LYS A 78 -3.007 4.253 5.853 1.00 10.00 H new ATOM 0 HZ3 LYS A 78 -3.545 3.862 7.416 1.00 10.00 H new TER 1175 LYS A 78 HETATM 1176 FE HEC A 90 -3.588 3.411 -0.864 1.00 10.00 FE HETATM 1177 CHA HEC A 90 -5.449 3.784 2.088 1.00 10.00 C HETATM 1178 CHB HEC A 90 -2.015 0.607 0.402 1.00 10.00 C HETATM 1179 CHC HEC A 90 -2.084 2.961 -3.933 1.00 10.00 C HETATM 1180 CHD HEC A 90 -4.975 6.421 -2.000 1.00 10.00 C HETATM 1181 NA HEC A 90 -3.774 2.344 0.880 1.00 10.00 N HETATM 1182 C1A HEC A 90 -4.614 2.660 1.929 1.00 10.00 C HETATM 1183 C2A HEC A 90 -4.453 1.614 2.913 1.00 10.00 C HETATM 1184 C3A HEC A 90 -3.541 0.713 2.412 1.00 10.00 C HETATM 1185 C4A HEC A 90 -3.040 1.218 1.161 1.00 10.00 C HETATM 1186 CMA HEC A 90 -3.224 -0.628 3.001 1.00 10.00 C HETATM 1187 CAA HEC A 90 -5.122 1.506 4.267 1.00 10.00 C HETATM 1188 CBA HEC A 90 -6.195 0.413 4.317 1.00 10.00 C HETATM 1189 CGA HEC A 90 -6.701 0.129 5.723 1.00 10.00 C HETATM 1190 O1A HEC A 90 -7.468 -0.851 5.836 1.00 10.00 O HETATM 1191 O2A HEC A 90 -6.289 0.862 6.651 1.00 10.00 O HETATM 1192 NB HEC A 90 -2.231 2.049 -1.614 1.00 10.00 N HETATM 1193 C1B HEC A 90 -1.707 1.015 -0.902 1.00 10.00 C HETATM 1194 C2B HEC A 90 -0.761 0.353 -1.760 1.00 10.00 C HETATM 1195 C3B HEC A 90 -0.848 0.946 -3.006 1.00 10.00 C HETATM 1196 C4B HEC A 90 -1.765 2.059 -2.894 1.00 10.00 C HETATM 1197 CMB HEC A 90 0.133 -0.793 -1.338 1.00 10.00 C HETATM 1198 CAB HEC A 90 0.026 0.641 -4.200 1.00 10.00 C HETATM 1199 CBB HEC A 90 -0.060 -0.810 -4.707 1.00 10.00 C HETATM 1200 NC HEC A 90 -3.543 4.507 -2.660 1.00 10.00 N HETATM 1201 C1C HEC A 90 -2.890 4.102 -3.782 1.00 10.00 C HETATM 1202 C2C HEC A 90 -3.180 5.075 -4.818 1.00 10.00 C HETATM 1203 C3C HEC A 90 -3.979 6.055 -4.260 1.00 10.00 C HETATM 1204 C4C HEC A 90 -4.199 5.681 -2.885 1.00 10.00 C HETATM 1205 CMC HEC A 90 -2.717 5.023 -6.255 1.00 10.00 C HETATM 1206 CAC HEC A 90 -4.617 7.267 -4.932 1.00 10.00 C HETATM 1207 CBC HEC A 90 -5.101 7.039 -6.360 1.00 10.00 C HETATM 1208 ND HEC A 90 -4.926 4.878 -0.069 1.00 10.00 N HETATM 1209 C1D HEC A 90 -5.297 6.009 -0.722 1.00 10.00 C HETATM 1210 C2D HEC A 90 -6.165 6.760 0.143 1.00 10.00 C HETATM 1211 C3D HEC A 90 -6.365 6.012 1.277 1.00 10.00 C HETATM 1212 C4D HEC A 90 -5.547 4.815 1.148 1.00 10.00 C HETATM 1213 CMD HEC A 90 -6.806 8.086 -0.187 1.00 10.00 C HETATM 1214 CAD HEC A 90 -7.337 6.406 2.371 1.00 10.00 C HETATM 1215 CBD HEC A 90 -8.803 6.363 1.893 1.00 10.00 C HETATM 1216 CGD HEC A 90 -9.648 7.515 2.407 1.00 10.00 C HETATM 1217 O1D HEC A 90 -10.070 7.421 3.577 1.00 10.00 O HETATM 1218 O2D HEC A 90 -9.887 8.440 1.604 1.00 10.00 O HETATM 0 HMD3 HEC A 90 -6.030 8.825 -0.390 1.00 10.00 H new HETATM 0 HMD2 HEC A 90 -7.440 7.975 -1.067 1.00 10.00 H new HETATM 0 HMD1 HEC A 90 -7.411 8.418 0.657 1.00 10.00 H new HETATM 0 HMC3 HEC A 90 -1.627 5.021 -6.286 1.00 10.00 H new HETATM 0 HMC2 HEC A 90 -3.095 4.116 -6.726 1.00 10.00 H new HETATM 0 HMC1 HEC A 90 -3.094 5.894 -6.791 1.00 10.00 H new HETATM 0 HMB3 HEC A 90 0.776 -0.470 -0.519 1.00 10.00 H new HETATM 0 HMB2 HEC A 90 -0.481 -1.631 -1.009 1.00 10.00 H new HETATM 0 HMB1 HEC A 90 0.749 -1.104 -2.182 1.00 10.00 H new HETATM 0 HMA3 HEC A 90 -2.850 -0.500 4.017 1.00 10.00 H new HETATM 0 HMA2 HEC A 90 -4.126 -1.239 3.021 1.00 10.00 H new HETATM 0 HMA1 HEC A 90 -2.465 -1.122 2.394 1.00 10.00 H new HETATM 0 HBD2 HEC A 90 -8.821 6.369 0.803 1.00 10.00 H new HETATM 0 HBD1 HEC A 90 -9.253 5.423 2.213 1.00 10.00 H new HETATM 0 HBC3 HEC A 90 -4.259 6.745 -6.987 1.00 10.00 H new HETATM 0 HBC2 HEC A 90 -5.852 6.249 -6.368 1.00 10.00 H new HETATM 0 HBC1 HEC A 90 -5.538 7.959 -6.747 1.00 10.00 H new HETATM 0 HBB3 HEC A 90 0.244 -1.492 -3.913 1.00 10.00 H new HETATM 0 HBB2 HEC A 90 -1.085 -1.032 -5.003 1.00 10.00 H new HETATM 0 HBB1 HEC A 90 0.600 -0.935 -5.565 1.00 10.00 H new HETATM 0 HBA2 HEC A 90 -7.035 0.710 3.689 1.00 10.00 H new HETATM 0 HBA1 HEC A 90 -5.788 -0.505 3.893 1.00 10.00 H new HETATM 0 HAD2 HEC A 90 -7.215 5.736 3.222 1.00 10.00 H new HETATM 0 HAD1 HEC A 90 -7.100 7.411 2.720 1.00 10.00 H new HETATM 0 HAA2 HEC A 90 -4.366 1.301 5.025 1.00 10.00 H new HETATM 0 HAA1 HEC A 90 -5.575 2.465 4.520 1.00 10.00 H new HETATM 0 HHD HEC A 90 -5.353 7.387 -2.336 1.00 10.00 H new HETATM 0 HHC HEC A 90 -1.676 2.757 -4.923 1.00 10.00 H new HETATM 0 HHB HEC A 90 -1.445 -0.209 0.847 1.00 10.00 H new HETATM 0 HHA HEC A 90 -6.052 3.854 2.994 1.00 10.00 H new HETATM 0 H2D HEC A 90 -10.470 9.101 2.031 1.00 10.00 H new HETATM 0 H2A HEC A 90 -6.835 0.714 7.451 1.00 10.00 H new