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= -0.0223 X(o=-0.022,f=-0.02) USER MOD Single : A 7 TYR OH : rot -140:sc= 1.27 USER MOD Single : A 8 ASN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A -3 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot -32:sc= 0.464 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 HIS : no HD1:sc= -0.373 X(o=-0.37,f=-0.33) USER MOD Single : A 27 ASN : amide:sc= -0.105 K(o=-0.1,f=-2.5!) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00014) USER MOD Single : A 41 ASN :FLIP amide:sc= -0.094 F(o=-3.1!,f=-0.094) USER MOD Single : A 44 LYS NZ :NH3+ -167:sc= 1.15 (180deg=0.496) USER MOD Single : A 45 SER OG : rot 180:sc=-0.00833 USER MOD Single : A 47 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.00364) USER MOD Single : A 48 THR OG1 : rot 83:sc= 0.338 USER MOD Single : A 51 ASN :FLIP amide:sc= 0.0427 F(o=-0.65,f=0.043) USER MOD Single : A 53 MET CE :methyl -161:sc= -0.16 (180deg=-0.677) USER MOD Single : A 58 MET CE :methyl 180:sc= 0 (180deg=0) 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 57:sc= 0.504 USER MOD Single : A 68 LYS NZ :NH3+ -134:sc= -0.596 (180deg=-0.741) USER MOD Single : A 74 MET CE :methyl 163:sc= 0 (180deg=-0.0435) USER MOD Single : A 75 SER OG : rot -53:sc= 0.102 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ 146:sc= 1.26! (180deg=-2.54!) USER MOD Single : A 90 HEC O2A : rot 177:sc= 0 USER MOD Single : A 90 HEC O2D : rot 165:sc= -0.63 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A -3 2.303 -7.668 -16.813 1.00 10.00 N ATOM 2 CA ALA A -3 1.795 -6.446 -16.153 1.00 10.00 C ATOM 3 C ALA A -3 2.964 -5.542 -15.734 1.00 10.00 C ATOM 4 O ALA A -3 3.565 -4.933 -16.613 1.00 10.00 O ATOM 5 CB ALA A -3 0.843 -6.809 -15.007 1.00 10.00 C ATOM 0 H1 ALA A -3 1.502 -8.271 -17.091 1.00 10.00 H new ATOM 0 H2 ALA A -3 2.849 -7.405 -17.658 1.00 10.00 H new ATOM 0 H3 ALA A -3 2.916 -8.189 -16.154 1.00 10.00 H new ATOM 0 HA ALA A -3 1.201 -5.864 -16.857 1.00 10.00 H new ATOM 0 HB1 ALA A -3 0.479 -5.897 -14.533 1.00 10.00 H new ATOM 0 HB2 ALA A -3 -0.001 -7.375 -15.401 1.00 10.00 H new ATOM 0 HB3 ALA A -3 1.373 -7.413 -14.271 1.00 10.00 H new ATOM 13 N ASP A -2 3.345 -5.545 -14.451 1.00 10.00 N ATOM 14 CA ASP A -2 4.486 -4.778 -13.945 1.00 10.00 C ATOM 15 C ASP A -2 4.956 -5.342 -12.582 1.00 10.00 C ATOM 16 O ASP A -2 5.543 -4.656 -11.747 1.00 10.00 O ATOM 17 CB ASP A -2 4.020 -3.312 -13.847 1.00 10.00 C ATOM 18 CG ASP A -2 5.133 -2.282 -13.948 1.00 10.00 C ATOM 19 OD1 ASP A -2 6.314 -2.679 -14.003 1.00 10.00 O ATOM 20 OD2 ASP A -2 4.744 -1.097 -14.023 1.00 10.00 O ATOM 0 H ASP A -2 2.865 -6.085 -13.730 1.00 10.00 H new ATOM 0 HA ASP A -2 5.348 -4.848 -14.609 1.00 10.00 H new ATOM 0 HB2 ASP A -2 3.295 -3.122 -14.639 1.00 10.00 H new ATOM 0 HB3 ASP A -2 3.500 -3.173 -12.899 1.00 10.00 H new ATOM 25 N LEU A -1 4.721 -6.644 -12.369 1.00 10.00 N ATOM 26 CA LEU A -1 5.053 -7.354 -11.133 1.00 10.00 C ATOM 27 C LEU A -1 6.441 -7.975 -11.304 1.00 10.00 C ATOM 28 O LEU A -1 6.592 -9.196 -11.362 1.00 10.00 O ATOM 29 CB LEU A -1 3.976 -8.414 -10.814 1.00 10.00 C ATOM 30 CG LEU A -1 2.634 -7.895 -10.257 1.00 10.00 C ATOM 31 CD1 LEU A -1 2.762 -7.426 -8.804 1.00 10.00 C ATOM 32 CD2 LEU A -1 1.969 -6.824 -11.128 1.00 10.00 C ATOM 0 H LEU A -1 4.285 -7.244 -13.069 1.00 10.00 H new ATOM 0 HA LEU A -1 5.072 -6.668 -10.286 1.00 10.00 H new ATOM 0 HB2 LEU A -1 3.771 -8.976 -11.726 1.00 10.00 H new ATOM 0 HB3 LEU A -1 4.394 -9.117 -10.094 1.00 10.00 H new ATOM 0 HG LEU A -1 1.966 -8.756 -10.281 1.00 10.00 H new ATOM 0 HD11 LEU A -1 1.795 -7.068 -8.451 1.00 10.00 H new ATOM 0 HD12 LEU A -1 3.091 -8.258 -8.181 1.00 10.00 H new ATOM 0 HD13 LEU A -1 3.491 -6.618 -8.745 1.00 10.00 H new ATOM 0 HD21 LEU A -1 1.031 -6.512 -10.668 1.00 10.00 H new ATOM 0 HD22 LEU A -1 2.633 -5.964 -11.218 1.00 10.00 H new ATOM 0 HD23 LEU A -1 1.769 -7.233 -12.118 1.00 10.00 H new ATOM 44 N GLN A 1 7.437 -7.103 -11.488 1.00 10.00 N ATOM 45 CA GLN A 1 8.850 -7.471 -11.539 1.00 10.00 C ATOM 46 C GLN A 1 9.659 -6.956 -10.345 1.00 10.00 C ATOM 47 O GLN A 1 10.691 -7.540 -10.018 1.00 10.00 O ATOM 48 CB GLN A 1 9.457 -6.984 -12.867 1.00 10.00 C ATOM 49 CG GLN A 1 9.833 -8.144 -13.796 1.00 10.00 C ATOM 50 CD GLN A 1 8.627 -8.990 -14.191 1.00 10.00 C ATOM 51 OE1 GLN A 1 7.820 -8.597 -15.025 1.00 10.00 O ATOM 52 NE2 GLN A 1 8.493 -10.174 -13.614 1.00 10.00 N ATOM 0 H GLN A 1 7.278 -6.103 -11.608 1.00 10.00 H new ATOM 0 HA GLN A 1 8.904 -8.558 -11.481 1.00 10.00 H new ATOM 0 HB2 GLN A 1 8.744 -6.333 -13.373 1.00 10.00 H new ATOM 0 HB3 GLN A 1 10.344 -6.385 -12.660 1.00 10.00 H new ATOM 0 HG2 GLN A 1 10.305 -7.747 -14.695 1.00 10.00 H new ATOM 0 HG3 GLN A 1 10.570 -8.777 -13.302 1.00 10.00 H new ATOM 0 HE21 GLN A 1 9.175 -10.484 -12.922 1.00 10.00 H new ATOM 0 HE22 GLN A 1 7.708 -10.776 -13.862 1.00 10.00 H new ATOM 61 N ASP A 2 9.212 -5.861 -9.730 1.00 10.00 N ATOM 62 CA ASP A 2 9.857 -5.273 -8.574 1.00 10.00 C ATOM 63 C ASP A 2 8.811 -4.548 -7.721 1.00 10.00 C ATOM 64 O ASP A 2 8.226 -3.552 -8.144 1.00 10.00 O ATOM 65 CB ASP A 2 10.979 -4.337 -9.045 1.00 10.00 C ATOM 66 CG ASP A 2 11.854 -3.852 -7.901 1.00 10.00 C ATOM 67 OD1 ASP A 2 11.308 -3.715 -6.784 1.00 10.00 O ATOM 68 OD2 ASP A 2 13.046 -3.606 -8.171 1.00 10.00 O ATOM 0 H ASP A 2 8.379 -5.356 -10.032 1.00 10.00 H new ATOM 0 HA ASP A 2 10.309 -6.044 -7.950 1.00 10.00 H new ATOM 0 HB2 ASP A 2 11.598 -4.857 -9.776 1.00 10.00 H new ATOM 0 HB3 ASP A 2 10.541 -3.477 -9.552 1.00 10.00 H new ATOM 73 N ALA A 3 8.595 -5.039 -6.508 1.00 10.00 N ATOM 74 CA ALA A 3 7.857 -4.384 -5.442 1.00 10.00 C ATOM 75 C ALA A 3 8.097 -2.867 -5.364 1.00 10.00 C ATOM 76 O ALA A 3 7.140 -2.100 -5.218 1.00 10.00 O ATOM 77 CB ALA A 3 8.254 -5.058 -4.138 1.00 10.00 C ATOM 0 H ALA A 3 8.950 -5.954 -6.229 1.00 10.00 H new ATOM 0 HA ALA A 3 6.791 -4.490 -5.643 1.00 10.00 H new ATOM 0 HB1 ALA A 3 7.719 -4.593 -3.310 1.00 10.00 H new ATOM 0 HB2 ALA A 3 8.001 -6.117 -4.184 1.00 10.00 H new ATOM 0 HB3 ALA A 3 9.327 -4.948 -3.984 1.00 10.00 H new ATOM 83 N GLU A 4 9.356 -2.422 -5.487 1.00 10.00 N ATOM 84 CA GLU A 4 9.655 -0.999 -5.558 1.00 10.00 C ATOM 85 C GLU A 4 8.985 -0.357 -6.768 1.00 10.00 C ATOM 86 O GLU A 4 8.288 0.643 -6.623 1.00 10.00 O ATOM 87 CB GLU A 4 11.159 -0.695 -5.496 1.00 10.00 C ATOM 88 CG GLU A 4 11.389 0.814 -5.732 1.00 10.00 C ATOM 89 CD GLU A 4 12.506 1.412 -4.890 1.00 10.00 C ATOM 90 OE1 GLU A 4 13.667 1.002 -5.086 1.00 10.00 O ATOM 91 OE2 GLU A 4 12.160 2.291 -4.069 1.00 10.00 O ATOM 0 H GLU A 4 10.174 -3.029 -5.538 1.00 10.00 H new ATOM 0 HA GLU A 4 9.230 -0.544 -4.663 1.00 10.00 H new ATOM 0 HB2 GLU A 4 11.560 -0.988 -4.526 1.00 10.00 H new ATOM 0 HB3 GLU A 4 11.690 -1.277 -6.249 1.00 10.00 H new ATOM 0 HG2 GLU A 4 11.617 0.975 -6.786 1.00 10.00 H new ATOM 0 HG3 GLU A 4 10.463 1.349 -5.521 1.00 10.00 H new ATOM 98 N ALA A 5 9.107 -0.956 -7.954 1.00 10.00 N ATOM 99 CA ALA A 5 8.499 -0.381 -9.150 1.00 10.00 C ATOM 100 C ALA A 5 6.970 -0.421 -9.046 1.00 10.00 C ATOM 101 O ALA A 5 6.293 0.508 -9.486 1.00 10.00 O ATOM 102 CB ALA A 5 8.994 -1.114 -10.396 1.00 10.00 C ATOM 0 H ALA A 5 9.614 -1.827 -8.109 1.00 10.00 H new ATOM 0 HA ALA A 5 8.797 0.664 -9.233 1.00 10.00 H new ATOM 0 HB1 ALA A 5 8.534 -0.677 -11.282 1.00 10.00 H new ATOM 0 HB2 ALA A 5 10.078 -1.021 -10.466 1.00 10.00 H new ATOM 0 HB3 ALA A 5 8.724 -2.168 -10.330 1.00 10.00 H new ATOM 108 N ILE A 6 6.425 -1.424 -8.351 1.00 10.00 N ATOM 109 CA ILE A 6 4.992 -1.514 -8.120 1.00 10.00 C ATOM 110 C ILE A 6 4.543 -0.351 -7.240 1.00 10.00 C ATOM 111 O ILE A 6 3.668 0.406 -7.656 1.00 10.00 O ATOM 112 CB ILE A 6 4.644 -2.882 -7.490 1.00 10.00 C ATOM 113 CG1 ILE A 6 4.189 -3.880 -8.558 1.00 10.00 C ATOM 114 CG2 ILE A 6 3.611 -2.840 -6.351 1.00 10.00 C ATOM 115 CD1 ILE A 6 2.797 -3.584 -9.134 1.00 10.00 C ATOM 0 H ILE A 6 6.964 -2.186 -7.939 1.00 10.00 H new ATOM 0 HA ILE A 6 4.457 -1.444 -9.067 1.00 10.00 H new ATOM 0 HB ILE A 6 5.578 -3.209 -7.032 1.00 10.00 H new ATOM 0 HG12 ILE A 6 4.915 -3.883 -9.371 1.00 10.00 H new ATOM 0 HG13 ILE A 6 4.188 -4.882 -8.128 1.00 10.00 H new ATOM 0 HG21 ILE A 6 3.438 -3.850 -5.979 1.00 10.00 H new ATOM 0 HG22 ILE A 6 3.987 -2.215 -5.541 1.00 10.00 H new ATOM 0 HG23 ILE A 6 2.675 -2.426 -6.724 1.00 10.00 H new ATOM 0 HD11 ILE A 6 2.546 -4.334 -9.884 1.00 10.00 H new ATOM 0 HD12 ILE A 6 2.058 -3.611 -8.333 1.00 10.00 H new ATOM 0 HD13 ILE A 6 2.797 -2.596 -9.595 1.00 10.00 H new ATOM 127 N TYR A 7 5.161 -0.116 -6.076 1.00 10.00 N ATOM 128 CA TYR A 7 4.685 0.996 -5.254 1.00 10.00 C ATOM 129 C TYR A 7 5.006 2.342 -5.917 1.00 10.00 C ATOM 130 O TYR A 7 4.167 3.235 -5.958 1.00 10.00 O ATOM 131 CB TYR A 7 5.119 0.888 -3.781 1.00 10.00 C ATOM 132 CG TYR A 7 6.402 1.603 -3.418 1.00 10.00 C ATOM 133 CD1 TYR A 7 6.422 3.007 -3.311 1.00 10.00 C ATOM 134 CD2 TYR A 7 7.589 0.877 -3.237 1.00 10.00 C ATOM 135 CE1 TYR A 7 7.652 3.683 -3.251 1.00 10.00 C ATOM 136 CE2 TYR A 7 8.817 1.557 -3.172 1.00 10.00 C ATOM 137 CZ TYR A 7 8.851 2.957 -3.235 1.00 10.00 C ATOM 138 OH TYR A 7 10.036 3.623 -3.285 1.00 10.00 O ATOM 0 H TYR A 7 5.946 -0.647 -5.700 1.00 10.00 H new ATOM 0 HA TYR A 7 3.598 0.934 -5.204 1.00 10.00 H new ATOM 0 HB2 TYR A 7 4.317 1.281 -3.156 1.00 10.00 H new ATOM 0 HB3 TYR A 7 5.230 -0.167 -3.531 1.00 10.00 H new ATOM 0 HD1 TYR A 7 5.496 3.562 -3.275 1.00 10.00 H new ATOM 0 HD2 TYR A 7 7.559 -0.199 -3.148 1.00 10.00 H new ATOM 0 HE1 TYR A 7 7.674 4.762 -3.217 1.00 10.00 H new ATOM 0 HE2 TYR A 7 9.737 1.000 -3.073 1.00 10.00 H new ATOM 0 HH TYR A 7 10.662 3.134 -3.859 1.00 10.00 H new ATOM 148 N ASN A 8 6.198 2.453 -6.502 1.00 10.00 N ATOM 149 CA ASN A 8 6.736 3.656 -7.118 1.00 10.00 C ATOM 150 C ASN A 8 5.992 4.049 -8.400 1.00 10.00 C ATOM 151 O ASN A 8 6.050 5.205 -8.800 1.00 10.00 O ATOM 152 CB ASN A 8 8.237 3.448 -7.347 1.00 10.00 C ATOM 153 CG ASN A 8 8.980 4.687 -7.819 1.00 10.00 C ATOM 154 OD1 ASN A 8 8.712 5.804 -7.398 1.00 10.00 O ATOM 155 ND2 ASN A 8 9.962 4.498 -8.689 1.00 10.00 N ATOM 0 H ASN A 8 6.843 1.665 -6.560 1.00 10.00 H new ATOM 0 HA ASN A 8 6.587 4.501 -6.446 1.00 10.00 H new ATOM 0 HB2 ASN A 8 8.689 3.101 -6.418 1.00 10.00 H new ATOM 0 HB3 ASN A 8 8.373 2.656 -8.083 1.00 10.00 H new ATOM 0 HD21 ASN A 8 10.510 5.292 -9.020 1.00 10.00 H new ATOM 0 HD22 ASN A 8 10.169 3.559 -9.028 1.00 10.00 H new ATOM 162 N LYS A 9 5.298 3.111 -9.057 1.00 10.00 N ATOM 163 CA LYS A 9 4.368 3.415 -10.145 1.00 10.00 C ATOM 164 C LYS A 9 2.892 3.454 -9.698 1.00 10.00 C ATOM 165 O LYS A 9 2.087 4.133 -10.333 1.00 10.00 O ATOM 166 CB LYS A 9 4.647 2.488 -11.336 1.00 10.00 C ATOM 167 CG LYS A 9 4.373 3.160 -12.697 1.00 10.00 C ATOM 168 CD LYS A 9 2.977 2.888 -13.276 1.00 10.00 C ATOM 169 CE LYS A 9 2.826 1.385 -13.531 1.00 10.00 C ATOM 170 NZ LYS A 9 2.093 1.085 -14.774 1.00 10.00 N ATOM 0 H LYS A 9 5.368 2.116 -8.845 1.00 10.00 H new ATOM 0 HA LYS A 9 4.549 4.437 -10.479 1.00 10.00 H new ATOM 0 HB2 LYS A 9 5.686 2.162 -11.300 1.00 10.00 H new ATOM 0 HB3 LYS A 9 4.029 1.594 -11.247 1.00 10.00 H new ATOM 0 HG2 LYS A 9 4.503 4.237 -12.588 1.00 10.00 H new ATOM 0 HG3 LYS A 9 5.121 2.819 -13.413 1.00 10.00 H new ATOM 0 HD2 LYS A 9 2.209 3.231 -12.583 1.00 10.00 H new ATOM 0 HD3 LYS A 9 2.840 3.443 -14.204 1.00 10.00 H new ATOM 0 HE2 LYS A 9 3.815 0.929 -13.579 1.00 10.00 H new ATOM 0 HE3 LYS A 9 2.305 0.929 -12.689 1.00 10.00 H new ATOM 0 HZ1 LYS A 9 2.021 0.055 -14.895 1.00 10.00 H new ATOM 0 HZ2 LYS A 9 1.139 1.495 -14.722 1.00 10.00 H new ATOM 0 HZ3 LYS A 9 2.601 1.494 -15.584 1.00 10.00 H new ATOM 184 N ALA A 10 2.512 2.723 -8.642 1.00 10.00 N ATOM 185 CA ALA A 10 1.117 2.578 -8.195 1.00 10.00 C ATOM 186 C ALA A 10 0.809 3.427 -6.955 1.00 10.00 C ATOM 187 O ALA A 10 0.071 4.409 -7.031 1.00 10.00 O ATOM 188 CB ALA A 10 0.775 1.104 -7.945 1.00 10.00 C ATOM 0 H ALA A 10 3.175 2.207 -8.064 1.00 10.00 H new ATOM 0 HA ALA A 10 0.485 2.951 -9.001 1.00 10.00 H new ATOM 0 HB1 ALA A 10 -0.261 1.022 -7.616 1.00 10.00 H new ATOM 0 HB2 ALA A 10 0.909 0.538 -8.867 1.00 10.00 H new ATOM 0 HB3 ALA A 10 1.434 0.703 -7.175 1.00 10.00 H new ATOM 194 N CYS A 11 1.396 3.092 -5.804 1.00 10.00 N ATOM 195 CA CYS A 11 1.223 3.794 -4.531 1.00 10.00 C ATOM 196 C CYS A 11 2.036 5.112 -4.509 1.00 10.00 C ATOM 197 O CYS A 11 2.618 5.502 -3.500 1.00 10.00 O ATOM 198 CB CYS A 11 1.586 2.875 -3.374 1.00 10.00 C ATOM 199 SG CYS A 11 1.481 1.087 -3.696 1.00 10.00 S ATOM 0 H CYS A 11 2.028 2.295 -5.731 1.00 10.00 H new ATOM 0 HA CYS A 11 0.175 4.070 -4.418 1.00 10.00 H new ATOM 0 HB2 CYS A 11 2.604 3.106 -3.061 1.00 10.00 H new ATOM 0 HB3 CYS A 11 0.933 3.110 -2.534 1.00 10.00 H new ATOM 204 N THR A 12 2.072 5.817 -5.642 1.00 10.00 N ATOM 205 CA THR A 12 2.996 6.919 -5.907 1.00 10.00 C ATOM 206 C THR A 12 2.305 8.242 -6.199 1.00 10.00 C ATOM 207 O THR A 12 2.959 9.265 -6.386 1.00 10.00 O ATOM 208 CB THR A 12 3.917 6.531 -7.062 1.00 10.00 C ATOM 209 OG1 THR A 12 4.986 7.437 -7.114 1.00 10.00 O ATOM 210 CG2 THR A 12 3.187 6.559 -8.410 1.00 10.00 C ATOM 0 H THR A 12 1.441 5.631 -6.421 1.00 10.00 H new ATOM 0 HA THR A 12 3.570 7.083 -4.995 1.00 10.00 H new ATOM 0 HB THR A 12 4.268 5.514 -6.885 1.00 10.00 H new ATOM 0 HG1 THR A 12 4.682 8.319 -6.815 1.00 10.00 H new ATOM 0 HG21 THR A 12 3.878 6.277 -9.204 1.00 10.00 H new ATOM 0 HG22 THR A 12 2.354 5.856 -8.387 1.00 10.00 H new ATOM 0 HG23 THR A 12 2.809 7.564 -8.598 1.00 10.00 H new ATOM 218 N VAL A 13 0.979 8.205 -6.271 1.00 10.00 N ATOM 219 CA VAL A 13 0.153 9.302 -6.745 1.00 10.00 C ATOM 220 C VAL A 13 -0.428 10.052 -5.540 1.00 10.00 C ATOM 221 O VAL A 13 -0.475 11.277 -5.492 1.00 10.00 O ATOM 222 CB VAL A 13 -0.939 8.706 -7.650 1.00 10.00 C ATOM 223 CG1 VAL A 13 -1.609 9.841 -8.413 1.00 10.00 C ATOM 224 CG2 VAL A 13 -0.380 7.705 -8.674 1.00 10.00 C ATOM 0 H VAL A 13 0.437 7.387 -5.993 1.00 10.00 H new ATOM 0 HA VAL A 13 0.728 10.025 -7.324 1.00 10.00 H new ATOM 0 HB VAL A 13 -1.641 8.173 -7.009 1.00 10.00 H new ATOM 0 HG11 VAL A 13 -2.387 9.435 -9.060 1.00 10.00 H new ATOM 0 HG12 VAL A 13 -2.054 10.542 -7.706 1.00 10.00 H new ATOM 0 HG13 VAL A 13 -0.867 10.360 -9.019 1.00 10.00 H new ATOM 0 HG21 VAL A 13 -1.195 7.317 -9.285 1.00 10.00 H new ATOM 0 HG22 VAL A 13 0.346 8.206 -9.314 1.00 10.00 H new ATOM 0 HG23 VAL A 13 0.105 6.881 -8.150 1.00 10.00 H new ATOM 234 N CYS A 14 -0.838 9.261 -4.550 1.00 10.00 N ATOM 235 CA CYS A 14 -1.442 9.665 -3.296 1.00 10.00 C ATOM 236 C CYS A 14 -0.404 9.669 -2.164 1.00 10.00 C ATOM 237 O CYS A 14 -0.113 10.710 -1.577 1.00 10.00 O ATOM 238 CB CYS A 14 -2.546 8.670 -3.052 1.00 10.00 C ATOM 239 SG CYS A 14 -4.020 9.106 -4.010 1.00 10.00 S ATOM 0 H CYS A 14 -0.747 8.247 -4.615 1.00 10.00 H new ATOM 0 HA CYS A 14 -1.832 10.682 -3.333 1.00 10.00 H new ATOM 0 HB2 CYS A 14 -2.209 7.670 -3.327 1.00 10.00 H new ATOM 0 HB3 CYS A 14 -2.791 8.643 -1.990 1.00 10.00 H new ATOM 244 N HIS A 15 0.179 8.502 -1.878 1.00 10.00 N ATOM 245 CA HIS A 15 0.981 8.255 -0.677 1.00 10.00 C ATOM 246 C HIS A 15 2.366 8.923 -0.715 1.00 10.00 C ATOM 247 O HIS A 15 2.983 9.154 0.326 1.00 10.00 O ATOM 248 CB HIS A 15 1.166 6.741 -0.546 1.00 10.00 C ATOM 249 CG HIS A 15 -0.017 5.984 -0.018 1.00 10.00 C ATOM 250 ND1 HIS A 15 0.024 5.229 1.123 1.00 10.00 N ATOM 251 CD2 HIS A 15 -1.179 5.683 -0.679 1.00 10.00 C ATOM 252 CE1 HIS A 15 -1.088 4.483 1.154 1.00 10.00 C ATOM 253 NE2 HIS A 15 -1.870 4.729 0.084 1.00 10.00 N ATOM 0 H HIS A 15 0.105 7.687 -2.486 1.00 10.00 H new ATOM 0 HA HIS A 15 0.451 8.687 0.172 1.00 10.00 H new ATOM 0 HB2 HIS A 15 1.423 6.339 -1.526 1.00 10.00 H new ATOM 0 HB3 HIS A 15 2.016 6.553 0.109 1.00 10.00 H new ATOM 0 HD1 HIS A 15 0.766 5.234 1.822 1.00 10.00 H new ATOM 0 HD2 HIS A 15 -1.505 6.104 -1.619 1.00 10.00 H new ATOM 0 HE1 HIS A 15 -1.327 3.776 1.935 1.00 10.00 H new ATOM 261 N SER A 16 2.862 9.217 -1.921 1.00 10.00 N ATOM 262 CA SER A 16 4.177 9.818 -2.129 1.00 10.00 C ATOM 263 C SER A 16 4.261 11.197 -1.467 1.00 10.00 C ATOM 264 O SER A 16 5.156 11.463 -0.667 1.00 10.00 O ATOM 265 CB SER A 16 4.468 9.898 -3.632 1.00 10.00 C ATOM 266 OG SER A 16 5.812 10.275 -3.843 1.00 10.00 O ATOM 0 H SER A 16 2.354 9.041 -2.788 1.00 10.00 H new ATOM 0 HA SER A 16 4.936 9.192 -1.659 1.00 10.00 H new ATOM 0 HB2 SER A 16 4.274 8.933 -4.100 1.00 10.00 H new ATOM 0 HB3 SER A 16 3.801 10.620 -4.102 1.00 10.00 H new ATOM 0 HG SER A 16 5.991 10.322 -4.805 1.00 10.00 H new ATOM 272 N MET A 17 3.289 12.058 -1.787 1.00 10.00 N ATOM 273 CA MET A 17 3.198 13.423 -1.278 1.00 10.00 C ATOM 274 C MET A 17 2.161 13.542 -0.139 1.00 10.00 C ATOM 275 O MET A 17 2.225 14.475 0.656 1.00 10.00 O ATOM 276 CB MET A 17 2.853 14.338 -2.464 1.00 10.00 C ATOM 277 CG MET A 17 3.454 15.750 -2.385 1.00 10.00 C ATOM 278 SD MET A 17 5.010 15.970 -3.293 1.00 10.00 S ATOM 279 CE MET A 17 5.020 17.762 -3.485 1.00 10.00 C ATOM 0 H MET A 17 2.528 11.816 -2.422 1.00 10.00 H new ATOM 0 HA MET A 17 4.150 13.723 -0.840 1.00 10.00 H new ATOM 0 HB2 MET A 17 3.197 13.863 -3.383 1.00 10.00 H new ATOM 0 HB3 MET A 17 1.769 14.423 -2.535 1.00 10.00 H new ATOM 0 HG2 MET A 17 2.723 16.462 -2.768 1.00 10.00 H new ATOM 0 HG3 MET A 17 3.623 15.999 -1.337 1.00 10.00 H new ATOM 0 HE1 MET A 17 5.916 18.065 -4.026 1.00 10.00 H new ATOM 0 HE2 MET A 17 4.137 18.073 -4.043 1.00 10.00 H new ATOM 0 HE3 MET A 17 5.013 18.233 -2.502 1.00 10.00 H new ATOM 289 N GLY A 18 1.198 12.611 -0.069 1.00 10.00 N ATOM 290 CA GLY A 18 0.089 12.629 0.887 1.00 10.00 C ATOM 291 C GLY A 18 -1.122 13.399 0.346 1.00 10.00 C ATOM 292 O GLY A 18 -1.640 14.304 0.998 1.00 10.00 O ATOM 0 H GLY A 18 1.171 11.805 -0.694 1.00 10.00 H new ATOM 0 HA2 GLY A 18 -0.206 11.606 1.120 1.00 10.00 H new ATOM 0 HA3 GLY A 18 0.421 13.085 1.820 1.00 10.00 H new ATOM 296 N VAL A 19 -1.579 13.036 -0.858 1.00 10.00 N ATOM 297 CA VAL A 19 -2.733 13.628 -1.538 1.00 10.00 C ATOM 298 C VAL A 19 -3.974 12.763 -1.287 1.00 10.00 C ATOM 299 O VAL A 19 -3.873 11.616 -0.865 1.00 10.00 O ATOM 300 CB VAL A 19 -2.426 13.811 -3.041 1.00 10.00 C ATOM 301 CG1 VAL A 19 -3.581 14.451 -3.823 1.00 10.00 C ATOM 302 CG2 VAL A 19 -1.190 14.698 -3.216 1.00 10.00 C ATOM 0 H VAL A 19 -1.138 12.295 -1.404 1.00 10.00 H new ATOM 0 HA VAL A 19 -2.940 14.620 -1.136 1.00 10.00 H new ATOM 0 HB VAL A 19 -2.262 12.810 -3.439 1.00 10.00 H new ATOM 0 HG11 VAL A 19 -3.299 14.551 -4.871 1.00 10.00 H new ATOM 0 HG12 VAL A 19 -4.467 13.821 -3.744 1.00 10.00 H new ATOM 0 HG13 VAL A 19 -3.798 15.436 -3.410 1.00 10.00 H new ATOM 0 HG21 VAL A 19 -0.979 14.823 -4.278 1.00 10.00 H new ATOM 0 HG22 VAL A 19 -1.375 15.673 -2.766 1.00 10.00 H new ATOM 0 HG23 VAL A 19 -0.334 14.230 -2.729 1.00 10.00 H new ATOM 312 N ALA A 20 -5.162 13.338 -1.473 1.00 10.00 N ATOM 313 CA ALA A 20 -6.444 12.680 -1.215 1.00 10.00 C ATOM 314 C ALA A 20 -6.628 12.248 0.252 1.00 10.00 C ATOM 315 O ALA A 20 -7.457 11.392 0.540 1.00 10.00 O ATOM 316 CB ALA A 20 -6.644 11.514 -2.191 1.00 10.00 C ATOM 0 H ALA A 20 -5.263 14.294 -1.814 1.00 10.00 H new ATOM 0 HA ALA A 20 -7.226 13.419 -1.390 1.00 10.00 H new ATOM 0 HB1 ALA A 20 -7.601 11.032 -1.990 1.00 10.00 H new ATOM 0 HB2 ALA A 20 -6.635 11.890 -3.214 1.00 10.00 H new ATOM 0 HB3 ALA A 20 -5.839 10.790 -2.063 1.00 10.00 H new ATOM 322 N GLY A 21 -5.843 12.824 1.169 1.00 10.00 N ATOM 323 CA GLY A 21 -5.796 12.424 2.577 1.00 10.00 C ATOM 324 C GLY A 21 -4.895 11.206 2.837 1.00 10.00 C ATOM 325 O GLY A 21 -4.812 10.728 3.965 1.00 10.00 O ATOM 0 H GLY A 21 -5.212 13.594 0.948 1.00 10.00 H new ATOM 0 HA2 GLY A 21 -5.440 13.264 3.174 1.00 10.00 H new ATOM 0 HA3 GLY A 21 -6.807 12.198 2.916 1.00 10.00 H new ATOM 329 N ALA A 22 -4.204 10.700 1.808 1.00 10.00 N ATOM 330 CA ALA A 22 -3.405 9.485 1.893 1.00 10.00 C ATOM 331 C ALA A 22 -2.316 9.545 2.977 1.00 10.00 C ATOM 332 O ALA A 22 -1.746 10.607 3.239 1.00 10.00 O ATOM 333 CB ALA A 22 -2.828 9.194 0.509 1.00 10.00 C ATOM 0 H ALA A 22 -4.188 11.133 0.885 1.00 10.00 H new ATOM 0 HA ALA A 22 -4.051 8.664 2.205 1.00 10.00 H new ATOM 0 HB1 ALA A 22 -2.225 8.287 0.550 1.00 10.00 H new ATOM 0 HB2 ALA A 22 -3.642 9.057 -0.203 1.00 10.00 H new ATOM 0 HB3 ALA A 22 -2.205 10.030 0.192 1.00 10.00 H new ATOM 339 N PRO A 23 -2.018 8.401 3.612 1.00 10.00 N ATOM 340 CA PRO A 23 -1.050 8.306 4.693 1.00 10.00 C ATOM 341 C PRO A 23 0.361 8.499 4.140 1.00 10.00 C ATOM 342 O PRO A 23 0.615 8.247 2.961 1.00 10.00 O ATOM 343 CB PRO A 23 -1.242 6.898 5.252 1.00 10.00 C ATOM 344 CG PRO A 23 -1.628 6.101 4.015 1.00 10.00 C ATOM 345 CD PRO A 23 -2.502 7.080 3.244 1.00 10.00 C ATOM 0 HA PRO A 23 -1.188 9.066 5.462 1.00 10.00 H new ATOM 0 HB2 PRO A 23 -0.330 6.517 5.712 1.00 10.00 H new ATOM 0 HB3 PRO A 23 -2.021 6.867 6.014 1.00 10.00 H new ATOM 0 HG2 PRO A 23 -0.753 5.799 3.439 1.00 10.00 H new ATOM 0 HG3 PRO A 23 -2.170 5.191 4.273 1.00 10.00 H new ATOM 0 HD2 PRO A 23 -2.421 6.917 2.169 1.00 10.00 H new ATOM 0 HD3 PRO A 23 -3.553 6.959 3.506 1.00 10.00 H new ATOM 353 N LYS A 24 1.296 8.940 4.982 1.00 10.00 N ATOM 354 CA LYS A 24 2.641 9.216 4.492 1.00 10.00 C ATOM 355 C LYS A 24 3.373 7.926 4.095 1.00 10.00 C ATOM 356 O LYS A 24 3.298 6.918 4.807 1.00 10.00 O ATOM 357 CB LYS A 24 3.450 10.020 5.520 1.00 10.00 C ATOM 358 CG LYS A 24 2.795 11.377 5.823 1.00 10.00 C ATOM 359 CD LYS A 24 3.728 12.241 6.690 1.00 10.00 C ATOM 360 CE LYS A 24 3.413 13.739 6.572 1.00 10.00 C ATOM 361 NZ LYS A 24 2.127 14.098 7.206 1.00 10.00 N ATOM 0 H LYS A 24 1.152 9.109 5.978 1.00 10.00 H new ATOM 0 HA LYS A 24 2.544 9.825 3.593 1.00 10.00 H new ATOM 0 HB2 LYS A 24 3.540 9.445 6.442 1.00 10.00 H new ATOM 0 HB3 LYS A 24 4.460 10.180 5.144 1.00 10.00 H new ATOM 0 HG2 LYS A 24 2.570 11.896 4.891 1.00 10.00 H new ATOM 0 HG3 LYS A 24 1.847 11.223 6.339 1.00 10.00 H new ATOM 0 HD2 LYS A 24 3.639 11.934 7.732 1.00 10.00 H new ATOM 0 HD3 LYS A 24 4.762 12.065 6.393 1.00 10.00 H new ATOM 0 HE2 LYS A 24 4.216 14.313 7.035 1.00 10.00 H new ATOM 0 HE3 LYS A 24 3.386 14.020 5.519 1.00 10.00 H new ATOM 0 HZ1 LYS A 24 1.960 15.119 7.099 1.00 10.00 H new ATOM 0 HZ2 LYS A 24 1.356 13.572 6.748 1.00 10.00 H new ATOM 0 HZ3 LYS A 24 2.159 13.856 8.217 1.00 10.00 H new ATOM 375 N SER A 25 4.112 8.001 2.976 1.00 10.00 N ATOM 376 CA SER A 25 5.068 7.002 2.484 1.00 10.00 C ATOM 377 C SER A 25 5.779 6.231 3.607 1.00 10.00 C ATOM 378 O SER A 25 5.862 5.006 3.571 1.00 10.00 O ATOM 379 CB SER A 25 6.089 7.708 1.578 1.00 10.00 C ATOM 380 OG SER A 25 7.024 6.768 1.084 1.00 10.00 O ATOM 0 H SER A 25 4.053 8.809 2.356 1.00 10.00 H new ATOM 0 HA SER A 25 4.509 6.252 1.924 1.00 10.00 H new ATOM 0 HB2 SER A 25 5.577 8.195 0.748 1.00 10.00 H new ATOM 0 HB3 SER A 25 6.605 8.489 2.136 1.00 10.00 H new ATOM 0 HG SER A 25 7.671 7.223 0.506 1.00 10.00 H new ATOM 386 N HIS A 26 6.248 6.951 4.633 1.00 10.00 N ATOM 387 CA HIS A 26 6.770 6.372 5.863 1.00 10.00 C ATOM 388 C HIS A 26 6.282 7.206 7.062 1.00 10.00 C ATOM 389 O HIS A 26 6.769 8.300 7.327 1.00 10.00 O ATOM 390 CB HIS A 26 8.298 6.207 5.770 1.00 10.00 C ATOM 391 CG HIS A 26 9.107 7.467 5.954 1.00 10.00 C ATOM 392 ND1 HIS A 26 10.015 7.684 6.967 1.00 10.00 N ATOM 393 CD2 HIS A 26 8.960 8.647 5.273 1.00 10.00 C ATOM 394 CE1 HIS A 26 10.405 8.968 6.891 1.00 10.00 C ATOM 395 NE2 HIS A 26 9.794 9.594 5.874 1.00 10.00 N ATOM 0 H HIS A 26 6.273 7.971 4.625 1.00 10.00 H new ATOM 0 HA HIS A 26 6.386 5.364 6.016 1.00 10.00 H new ATOM 0 HB2 HIS A 26 8.613 5.483 6.521 1.00 10.00 H new ATOM 0 HB3 HIS A 26 8.540 5.781 4.796 1.00 10.00 H new ATOM 0 HD2 HIS A 26 8.315 8.815 4.423 1.00 10.00 H new ATOM 0 HE1 HIS A 26 11.115 9.433 7.559 1.00 10.00 H new ATOM 0 HE2 HIS A 26 9.914 10.568 5.595 1.00 10.00 H new ATOM 403 N ASN A 27 5.270 6.704 7.768 1.00 10.00 N ATOM 404 CA ASN A 27 4.809 7.240 9.047 1.00 10.00 C ATOM 405 C ASN A 27 5.004 6.135 10.095 1.00 10.00 C ATOM 406 O ASN A 27 5.028 4.960 9.737 1.00 10.00 O ATOM 407 CB ASN A 27 3.315 7.616 8.936 1.00 10.00 C ATOM 408 CG ASN A 27 2.962 9.099 8.957 1.00 10.00 C ATOM 409 OD1 ASN A 27 3.746 9.938 9.377 1.00 10.00 O ATOM 410 ND2 ASN A 27 1.751 9.460 8.537 1.00 10.00 N ATOM 0 H ASN A 27 4.735 5.893 7.458 1.00 10.00 H new ATOM 0 HA ASN A 27 5.366 8.134 9.328 1.00 10.00 H new ATOM 0 HB2 ASN A 27 2.928 7.191 8.010 1.00 10.00 H new ATOM 0 HB3 ASN A 27 2.784 7.132 9.755 1.00 10.00 H new ATOM 0 HD21 ASN A 27 1.473 10.441 8.565 1.00 10.00 H new ATOM 0 HD22 ASN A 27 1.101 8.755 8.188 1.00 10.00 H new ATOM 417 N THR A 28 5.090 6.484 11.381 1.00 10.00 N ATOM 418 CA THR A 28 5.091 5.467 12.441 1.00 10.00 C ATOM 419 C THR A 28 3.735 5.401 13.149 1.00 10.00 C ATOM 420 O THR A 28 3.220 4.316 13.378 1.00 10.00 O ATOM 421 CB THR A 28 6.224 5.778 13.429 1.00 10.00 C ATOM 422 OG1 THR A 28 7.446 5.705 12.728 1.00 10.00 O ATOM 423 CG2 THR A 28 6.285 4.794 14.599 1.00 10.00 C ATOM 0 H THR A 28 5.159 7.446 11.712 1.00 10.00 H new ATOM 0 HA THR A 28 5.262 4.486 11.998 1.00 10.00 H new ATOM 0 HB THR A 28 6.038 6.769 13.844 1.00 10.00 H new ATOM 0 HG1 THR A 28 8.186 5.902 13.339 1.00 10.00 H new ATOM 0 HG21 THR A 28 7.106 5.067 15.262 1.00 10.00 H new ATOM 0 HG22 THR A 28 5.346 4.827 15.152 1.00 10.00 H new ATOM 0 HG23 THR A 28 6.446 3.785 14.218 1.00 10.00 H new ATOM 431 N ALA A 29 3.055 6.538 13.322 1.00 10.00 N ATOM 432 CA ALA A 29 1.770 6.591 14.023 1.00 10.00 C ATOM 433 C ALA A 29 0.578 6.199 13.136 1.00 10.00 C ATOM 434 O ALA A 29 -0.467 5.785 13.627 1.00 10.00 O ATOM 435 CB ALA A 29 1.586 8.000 14.568 1.00 10.00 C ATOM 0 H ALA A 29 3.378 7.444 12.982 1.00 10.00 H new ATOM 0 HA ALA A 29 1.792 5.858 14.829 1.00 10.00 H new ATOM 0 HB1 ALA A 29 0.634 8.065 15.095 1.00 10.00 H new ATOM 0 HB2 ALA A 29 2.399 8.233 15.256 1.00 10.00 H new ATOM 0 HB3 ALA A 29 1.593 8.713 13.743 1.00 10.00 H new ATOM 441 N ASP A 30 0.739 6.340 11.820 1.00 10.00 N ATOM 442 CA ASP A 30 -0.244 6.014 10.796 1.00 10.00 C ATOM 443 C ASP A 30 -0.120 4.533 10.379 1.00 10.00 C ATOM 444 O ASP A 30 -1.057 3.938 9.836 1.00 10.00 O ATOM 445 CB ASP A 30 0.096 6.980 9.661 1.00 10.00 C ATOM 446 CG ASP A 30 -0.916 7.216 8.582 1.00 10.00 C ATOM 447 OD1 ASP A 30 -1.908 6.457 8.492 1.00 10.00 O ATOM 448 OD2 ASP A 30 -0.545 8.096 7.776 1.00 10.00 O ATOM 0 H ASP A 30 1.605 6.704 11.423 1.00 10.00 H new ATOM 0 HA ASP A 30 -1.278 6.124 11.123 1.00 10.00 H new ATOM 0 HB2 ASP A 30 0.330 7.945 10.109 1.00 10.00 H new ATOM 0 HB3 ASP A 30 1.008 6.620 9.184 1.00 10.00 H new ATOM 453 N TRP A 31 1.059 3.946 10.616 1.00 10.00 N ATOM 454 CA TRP A 31 1.391 2.549 10.355 1.00 10.00 C ATOM 455 C TRP A 31 1.200 1.692 11.628 1.00 10.00 C ATOM 456 O TRP A 31 0.687 0.577 11.524 1.00 10.00 O ATOM 457 CB TRP A 31 2.792 2.469 9.712 1.00 10.00 C ATOM 458 CG TRP A 31 2.911 3.062 8.319 1.00 10.00 C ATOM 459 CD1 TRP A 31 2.766 4.372 8.016 1.00 10.00 C ATOM 460 CD2 TRP A 31 3.143 2.411 7.027 1.00 10.00 C ATOM 461 NE1 TRP A 31 2.836 4.584 6.657 1.00 10.00 N ATOM 462 CE2 TRP A 31 3.002 3.394 5.995 1.00 10.00 C ATOM 463 CE3 TRP A 31 3.434 1.093 6.605 1.00 10.00 C ATOM 464 CZ2 TRP A 31 3.038 3.077 4.634 1.00 10.00 C ATOM 465 CZ3 TRP A 31 3.387 0.752 5.241 1.00 10.00 C ATOM 466 CH2 TRP A 31 3.138 1.730 4.268 1.00 10.00 C ATOM 0 H TRP A 31 1.843 4.462 11.015 1.00 10.00 H new ATOM 0 HA TRP A 31 0.702 2.114 9.631 1.00 10.00 H new ATOM 0 HB2 TRP A 31 3.501 2.977 10.365 1.00 10.00 H new ATOM 0 HB3 TRP A 31 3.093 1.422 9.668 1.00 10.00 H new ATOM 0 HD1 TRP A 31 2.615 5.153 8.747 1.00 10.00 H new ATOM 0 HE1 TRP A 31 2.773 5.497 6.206 1.00 10.00 H new ATOM 0 HE3 TRP A 31 3.695 0.342 7.336 1.00 10.00 H new ATOM 0 HZ2 TRP A 31 2.990 3.852 3.884 1.00 10.00 H new ATOM 0 HZ3 TRP A 31 3.544 -0.273 4.940 1.00 10.00 H new ATOM 0 HH2 TRP A 31 3.023 1.443 3.233 1.00 10.00 H new ATOM 477 N GLU A 32 1.487 2.215 12.835 1.00 10.00 N ATOM 478 CA GLU A 32 1.158 1.555 14.113 1.00 10.00 C ATOM 479 C GLU A 32 -0.226 0.866 14.134 1.00 10.00 C ATOM 480 O GLU A 32 -0.296 -0.354 14.286 1.00 10.00 O ATOM 481 CB GLU A 32 1.302 2.542 15.286 1.00 10.00 C ATOM 482 CG GLU A 32 2.635 2.377 16.030 1.00 10.00 C ATOM 483 CD GLU A 32 2.715 3.303 17.235 1.00 10.00 C ATOM 484 OE1 GLU A 32 3.096 4.474 17.024 1.00 10.00 O ATOM 485 OE2 GLU A 32 2.371 2.823 18.335 1.00 10.00 O ATOM 0 H GLU A 32 1.957 3.113 12.952 1.00 10.00 H new ATOM 0 HA GLU A 32 1.883 0.749 14.227 1.00 10.00 H new ATOM 0 HB2 GLU A 32 1.223 3.562 14.911 1.00 10.00 H new ATOM 0 HB3 GLU A 32 0.478 2.394 15.985 1.00 10.00 H new ATOM 0 HG2 GLU A 32 2.746 1.343 16.356 1.00 10.00 H new ATOM 0 HG3 GLU A 32 3.461 2.588 15.351 1.00 10.00 H new ATOM 492 N PRO A 33 -1.339 1.595 13.916 1.00 10.00 N ATOM 493 CA PRO A 33 -2.689 1.028 13.930 1.00 10.00 C ATOM 494 C PRO A 33 -3.008 0.141 12.708 1.00 10.00 C ATOM 495 O PRO A 33 -4.175 -0.125 12.411 1.00 10.00 O ATOM 496 CB PRO A 33 -3.619 2.243 14.048 1.00 10.00 C ATOM 497 CG PRO A 33 -2.834 3.366 13.373 1.00 10.00 C ATOM 498 CD PRO A 33 -1.390 3.034 13.729 1.00 10.00 C ATOM 0 HA PRO A 33 -2.814 0.335 14.762 1.00 10.00 H new ATOM 0 HB2 PRO A 33 -4.573 2.067 13.551 1.00 10.00 H new ATOM 0 HB3 PRO A 33 -3.840 2.479 15.089 1.00 10.00 H new ATOM 0 HG2 PRO A 33 -2.992 3.377 12.295 1.00 10.00 H new ATOM 0 HG3 PRO A 33 -3.127 4.346 13.749 1.00 10.00 H new ATOM 0 HD2 PRO A 33 -0.712 3.348 12.936 1.00 10.00 H new ATOM 0 HD3 PRO A 33 -1.083 3.555 14.636 1.00 10.00 H new ATOM 506 N ARG A 34 -1.984 -0.314 11.979 1.00 10.00 N ATOM 507 CA ARG A 34 -2.046 -1.340 10.944 1.00 10.00 C ATOM 508 C ARG A 34 -1.102 -2.509 11.291 1.00 10.00 C ATOM 509 O ARG A 34 -1.512 -3.671 11.249 1.00 10.00 O ATOM 510 CB ARG A 34 -1.739 -0.708 9.581 1.00 10.00 C ATOM 511 CG ARG A 34 -2.912 0.144 9.059 1.00 10.00 C ATOM 512 CD ARG A 34 -2.996 1.540 9.694 1.00 10.00 C ATOM 513 NE ARG A 34 -4.264 1.712 10.424 1.00 10.00 N ATOM 514 CZ ARG A 34 -4.979 2.836 10.538 1.00 10.00 C ATOM 515 NH1 ARG A 34 -4.477 4.010 10.165 1.00 10.00 N ATOM 516 NH2 ARG A 34 -6.199 2.789 11.057 1.00 10.00 N ATOM 0 H ARG A 34 -1.038 0.047 12.106 1.00 10.00 H new ATOM 0 HA ARG A 34 -3.050 -1.760 10.890 1.00 10.00 H new ATOM 0 HB2 ARG A 34 -0.848 -0.086 9.663 1.00 10.00 H new ATOM 0 HB3 ARG A 34 -1.514 -1.494 8.860 1.00 10.00 H new ATOM 0 HG2 ARG A 34 -2.818 0.252 7.978 1.00 10.00 H new ATOM 0 HG3 ARG A 34 -3.846 -0.387 9.246 1.00 10.00 H new ATOM 0 HD2 ARG A 34 -2.157 1.685 10.375 1.00 10.00 H new ATOM 0 HD3 ARG A 34 -2.912 2.302 8.919 1.00 10.00 H new ATOM 0 HE ARG A 34 -4.636 0.886 10.892 1.00 10.00 H new ATOM 0 HH11 ARG A 34 -3.532 4.063 9.785 1.00 10.00 H new ATOM 0 HH12 ARG A 34 -5.037 4.857 10.259 1.00 10.00 H new ATOM 0 HH21 ARG A 34 -6.587 1.898 11.367 1.00 10.00 H new ATOM 0 HH22 ARG A 34 -6.749 3.644 11.146 1.00 10.00 H new ATOM 530 N LEU A 35 0.119 -2.201 11.751 1.00 10.00 N ATOM 531 CA LEU A 35 1.127 -3.143 12.254 1.00 10.00 C ATOM 532 C LEU A 35 0.620 -3.962 13.458 1.00 10.00 C ATOM 533 O LEU A 35 1.225 -4.961 13.838 1.00 10.00 O ATOM 534 CB LEU A 35 2.404 -2.349 12.618 1.00 10.00 C ATOM 535 CG LEU A 35 3.700 -2.925 12.024 1.00 10.00 C ATOM 536 CD1 LEU A 35 4.833 -1.898 12.135 1.00 10.00 C ATOM 537 CD2 LEU A 35 4.132 -4.219 12.714 1.00 10.00 C ATOM 0 H LEU A 35 0.447 -1.236 11.784 1.00 10.00 H new ATOM 0 HA LEU A 35 1.348 -3.868 11.471 1.00 10.00 H new ATOM 0 HB2 LEU A 35 2.288 -1.321 12.276 1.00 10.00 H new ATOM 0 HB3 LEU A 35 2.499 -2.315 13.703 1.00 10.00 H new ATOM 0 HG LEU A 35 3.495 -3.153 10.978 1.00 10.00 H new ATOM 0 HD11 LEU A 35 5.746 -2.316 11.711 1.00 10.00 H new ATOM 0 HD12 LEU A 35 4.560 -0.995 11.589 1.00 10.00 H new ATOM 0 HD13 LEU A 35 4.999 -1.652 13.184 1.00 10.00 H new ATOM 0 HD21 LEU A 35 5.052 -4.585 12.258 1.00 10.00 H new ATOM 0 HD22 LEU A 35 4.304 -4.027 13.773 1.00 10.00 H new ATOM 0 HD23 LEU A 35 3.349 -4.969 12.604 1.00 10.00 H new ATOM 549 N ALA A 36 -0.507 -3.552 14.050 1.00 10.00 N ATOM 550 CA ALA A 36 -1.162 -4.245 15.147 1.00 10.00 C ATOM 551 C ALA A 36 -2.081 -5.347 14.613 1.00 10.00 C ATOM 552 O ALA A 36 -2.290 -6.362 15.271 1.00 10.00 O ATOM 553 CB ALA A 36 -1.962 -3.228 15.965 1.00 10.00 C ATOM 0 H ALA A 36 -0.997 -2.704 13.765 1.00 10.00 H new ATOM 0 HA ALA A 36 -0.412 -4.715 15.782 1.00 10.00 H new ATOM 0 HB1 ALA A 36 -2.459 -3.736 16.792 1.00 10.00 H new ATOM 0 HB2 ALA A 36 -1.288 -2.467 16.359 1.00 10.00 H new ATOM 0 HB3 ALA A 36 -2.710 -2.756 15.328 1.00 10.00 H new ATOM 559 N LYS A 37 -2.639 -5.136 13.415 1.00 10.00 N ATOM 560 CA LYS A 37 -3.477 -6.116 12.746 1.00 10.00 C ATOM 561 C LYS A 37 -2.587 -7.207 12.137 1.00 10.00 C ATOM 562 O LYS A 37 -2.792 -8.395 12.363 1.00 10.00 O ATOM 563 CB LYS A 37 -4.330 -5.425 11.670 1.00 10.00 C ATOM 564 CG LYS A 37 -5.278 -4.361 12.245 1.00 10.00 C ATOM 565 CD LYS A 37 -5.821 -3.446 11.135 1.00 10.00 C ATOM 566 CE LYS A 37 -6.887 -4.143 10.275 1.00 10.00 C ATOM 567 NZ LYS A 37 -7.100 -3.435 8.993 1.00 10.00 N ATOM 0 H LYS A 37 -2.516 -4.273 12.886 1.00 10.00 H new ATOM 0 HA LYS A 37 -4.155 -6.581 13.462 1.00 10.00 H new ATOM 0 HB2 LYS A 37 -3.672 -4.959 10.937 1.00 10.00 H new ATOM 0 HB3 LYS A 37 -4.915 -6.177 11.140 1.00 10.00 H new ATOM 0 HG2 LYS A 37 -6.108 -4.848 12.758 1.00 10.00 H new ATOM 0 HG3 LYS A 37 -4.751 -3.763 12.988 1.00 10.00 H new ATOM 0 HD2 LYS A 37 -6.248 -2.549 11.583 1.00 10.00 H new ATOM 0 HD3 LYS A 37 -4.998 -3.123 10.498 1.00 10.00 H new ATOM 0 HE2 LYS A 37 -6.581 -5.171 10.078 1.00 10.00 H new ATOM 0 HE3 LYS A 37 -7.826 -4.190 10.826 1.00 10.00 H new ATOM 0 HZ1 LYS A 37 -7.838 -3.923 8.445 1.00 10.00 H new ATOM 0 HZ2 LYS A 37 -7.399 -2.457 9.182 1.00 10.00 H new ATOM 0 HZ3 LYS A 37 -6.213 -3.427 8.449 1.00 10.00 H new ATOM 581 N GLY A 38 -1.591 -6.774 11.357 1.00 10.00 N ATOM 582 CA GLY A 38 -0.572 -7.634 10.761 1.00 10.00 C ATOM 583 C GLY A 38 0.051 -6.961 9.536 1.00 10.00 C ATOM 584 O GLY A 38 0.631 -5.885 9.650 1.00 10.00 O ATOM 0 H GLY A 38 -1.471 -5.790 11.119 1.00 10.00 H new ATOM 0 HA2 GLY A 38 0.203 -7.852 11.496 1.00 10.00 H new ATOM 0 HA3 GLY A 38 -1.016 -8.587 10.473 1.00 10.00 H new ATOM 588 N VAL A 39 -0.130 -7.569 8.361 1.00 10.00 N ATOM 589 CA VAL A 39 0.294 -7.017 7.071 1.00 10.00 C ATOM 590 C VAL A 39 -0.646 -7.474 5.966 1.00 10.00 C ATOM 591 O VAL A 39 -1.281 -6.649 5.302 1.00 10.00 O ATOM 592 CB VAL A 39 1.744 -7.396 6.717 1.00 10.00 C ATOM 593 CG1 VAL A 39 2.604 -6.146 6.853 1.00 10.00 C ATOM 594 CG2 VAL A 39 2.329 -8.527 7.572 1.00 10.00 C ATOM 0 H VAL A 39 -0.585 -8.478 8.278 1.00 10.00 H new ATOM 0 HA VAL A 39 0.254 -5.931 7.161 1.00 10.00 H new ATOM 0 HB VAL A 39 1.739 -7.779 5.697 1.00 10.00 H new ATOM 0 HG11 VAL A 39 3.638 -6.387 6.607 1.00 10.00 H new ATOM 0 HG12 VAL A 39 2.239 -5.377 6.172 1.00 10.00 H new ATOM 0 HG13 VAL A 39 2.551 -5.778 7.877 1.00 10.00 H new ATOM 0 HG21 VAL A 39 3.352 -8.730 7.256 1.00 10.00 H new ATOM 0 HG22 VAL A 39 2.325 -8.230 8.621 1.00 10.00 H new ATOM 0 HG23 VAL A 39 1.726 -9.426 7.448 1.00 10.00 H new ATOM 604 N ASP A 40 -0.816 -8.792 5.819 1.00 10.00 N ATOM 605 CA ASP A 40 -1.629 -9.402 4.778 1.00 10.00 C ATOM 606 C ASP A 40 -3.156 -9.209 4.991 1.00 10.00 C ATOM 607 O ASP A 40 -3.971 -10.008 4.536 1.00 10.00 O ATOM 608 CB ASP A 40 -1.203 -10.874 4.612 1.00 10.00 C ATOM 609 CG ASP A 40 0.308 -11.104 4.719 1.00 10.00 C ATOM 610 OD1 ASP A 40 0.790 -10.956 5.861 1.00 10.00 O ATOM 611 OD2 ASP A 40 0.971 -11.396 3.691 1.00 10.00 O ATOM 0 H ASP A 40 -0.379 -9.475 6.438 1.00 10.00 H new ATOM 0 HA ASP A 40 -1.443 -8.883 3.838 1.00 10.00 H new ATOM 0 HB2 ASP A 40 -1.706 -11.474 5.370 1.00 10.00 H new ATOM 0 HB3 ASP A 40 -1.547 -11.233 3.642 1.00 10.00 H new ATOM 616 N ASN A 41 -3.536 -8.107 5.650 1.00 10.00 N ATOM 617 CA ASN A 41 -4.891 -7.648 5.926 1.00 10.00 C ATOM 618 C ASN A 41 -5.206 -6.539 4.923 1.00 10.00 C ATOM 619 O ASN A 41 -6.178 -6.601 4.175 1.00 10.00 O ATOM 620 CB ASN A 41 -4.989 -7.068 7.364 1.00 10.00 C ATOM 621 CG ASN A 41 -3.854 -7.467 8.293 1.00 10.00 C ATOM 622 OD1 ASN A 41 -3.106 -6.498 8.799 1.00 10.00 O flip ATOM 623 ND2 ASN A 41 -3.626 -8.635 8.567 1.00 10.00 N flip ATOM 0 H ASN A 41 -2.842 -7.465 6.033 1.00 10.00 H new ATOM 0 HA ASN A 41 -5.591 -8.479 5.841 1.00 10.00 H new ATOM 0 HB2 ASN A 41 -5.022 -5.980 7.300 1.00 10.00 H new ATOM 0 HB3 ASN A 41 -5.932 -7.390 7.807 1.00 10.00 H new ATOM 0 HD21 ASN A 41 -4.208 -9.374 8.172 1.00 10.00 H new ATOM 0 HD22 ASN A 41 -2.854 -8.871 9.190 1.00 10.00 H new ATOM 630 N LEU A 42 -4.369 -5.500 4.899 1.00 10.00 N ATOM 631 CA LEU A 42 -4.656 -4.321 4.100 1.00 10.00 C ATOM 632 C LEU A 42 -4.236 -4.526 2.641 1.00 10.00 C ATOM 633 O LEU A 42 -4.891 -3.984 1.758 1.00 10.00 O ATOM 634 CB LEU A 42 -4.076 -3.059 4.736 1.00 10.00 C ATOM 635 CG LEU A 42 -4.403 -2.924 6.236 1.00 10.00 C ATOM 636 CD1 LEU A 42 -3.104 -2.909 7.036 1.00 10.00 C ATOM 637 CD2 LEU A 42 -5.198 -1.649 6.538 1.00 10.00 C ATOM 0 H LEU A 42 -3.494 -5.456 5.422 1.00 10.00 H new ATOM 0 HA LEU A 42 -5.735 -4.170 4.082 1.00 10.00 H new ATOM 0 HB2 LEU A 42 -2.994 -3.060 4.606 1.00 10.00 H new ATOM 0 HB3 LEU A 42 -4.459 -2.186 4.208 1.00 10.00 H new ATOM 0 HG LEU A 42 -5.019 -3.777 6.521 1.00 10.00 H new ATOM 0 HD11 LEU A 42 -3.332 -2.814 8.098 1.00 10.00 H new ATOM 0 HD12 LEU A 42 -2.560 -3.838 6.864 1.00 10.00 H new ATOM 0 HD13 LEU A 42 -2.491 -2.065 6.719 1.00 10.00 H new ATOM 0 HD21 LEU A 42 -5.406 -1.595 7.606 1.00 10.00 H new ATOM 0 HD22 LEU A 42 -4.616 -0.778 6.237 1.00 10.00 H new ATOM 0 HD23 LEU A 42 -6.137 -1.667 5.985 1.00 10.00 H new ATOM 649 N VAL A 43 -3.249 -5.394 2.372 1.00 10.00 N ATOM 650 CA VAL A 43 -2.907 -5.908 1.049 1.00 10.00 C ATOM 651 C VAL A 43 -4.108 -6.604 0.378 1.00 10.00 C ATOM 652 O VAL A 43 -4.182 -6.697 -0.842 1.00 10.00 O ATOM 653 CB VAL A 43 -1.664 -6.806 1.128 1.00 10.00 C ATOM 654 CG1 VAL A 43 -2.042 -8.235 1.479 1.00 10.00 C ATOM 655 CG2 VAL A 43 -0.902 -6.862 -0.205 1.00 10.00 C ATOM 0 H VAL A 43 -2.646 -5.769 3.105 1.00 10.00 H new ATOM 0 HA VAL A 43 -2.656 -5.065 0.405 1.00 10.00 H new ATOM 0 HB VAL A 43 -1.033 -6.366 1.900 1.00 10.00 H new ATOM 0 HG11 VAL A 43 -1.142 -8.848 1.528 1.00 10.00 H new ATOM 0 HG12 VAL A 43 -2.545 -8.251 2.446 1.00 10.00 H new ATOM 0 HG13 VAL A 43 -2.711 -8.633 0.715 1.00 10.00 H new ATOM 0 HG21 VAL A 43 -0.031 -7.509 -0.099 1.00 10.00 H new ATOM 0 HG22 VAL A 43 -1.556 -7.258 -0.982 1.00 10.00 H new ATOM 0 HG23 VAL A 43 -0.577 -5.859 -0.481 1.00 10.00 H new ATOM 665 N LYS A 44 -5.078 -7.060 1.179 1.00 10.00 N ATOM 666 CA LYS A 44 -6.371 -7.530 0.684 1.00 10.00 C ATOM 667 C LYS A 44 -7.330 -6.357 0.387 1.00 10.00 C ATOM 668 O LYS A 44 -8.054 -6.373 -0.604 1.00 10.00 O ATOM 669 CB LYS A 44 -6.993 -8.539 1.663 1.00 10.00 C ATOM 670 CG LYS A 44 -6.025 -9.650 2.107 1.00 10.00 C ATOM 671 CD LYS A 44 -5.676 -10.660 0.997 1.00 10.00 C ATOM 672 CE LYS A 44 -4.179 -10.678 0.650 1.00 10.00 C ATOM 673 NZ LYS A 44 -3.700 -11.979 0.137 1.00 10.00 N ATOM 0 H LYS A 44 -4.985 -7.112 2.193 1.00 10.00 H new ATOM 0 HA LYS A 44 -6.200 -8.043 -0.262 1.00 10.00 H new ATOM 0 HB2 LYS A 44 -7.347 -8.005 2.545 1.00 10.00 H new ATOM 0 HB3 LYS A 44 -7.865 -8.995 1.195 1.00 10.00 H new ATOM 0 HG2 LYS A 44 -5.105 -9.192 2.469 1.00 10.00 H new ATOM 0 HG3 LYS A 44 -6.466 -10.187 2.947 1.00 10.00 H new ATOM 0 HD2 LYS A 44 -5.982 -11.658 1.312 1.00 10.00 H new ATOM 0 HD3 LYS A 44 -6.248 -10.419 0.101 1.00 10.00 H new ATOM 0 HE2 LYS A 44 -3.979 -9.908 -0.096 1.00 10.00 H new ATOM 0 HE3 LYS A 44 -3.606 -10.416 1.540 1.00 10.00 H new ATOM 0 HZ1 LYS A 44 -2.660 -11.989 0.133 1.00 10.00 H new ATOM 0 HZ2 LYS A 44 -4.051 -12.744 0.748 1.00 10.00 H new ATOM 0 HZ3 LYS A 44 -4.051 -12.121 -0.832 1.00 10.00 H new ATOM 687 N SER A 45 -7.330 -5.304 1.209 1.00 10.00 N ATOM 688 CA SER A 45 -8.251 -4.176 1.045 1.00 10.00 C ATOM 689 C SER A 45 -7.838 -3.303 -0.142 1.00 10.00 C ATOM 690 O SER A 45 -8.667 -2.832 -0.913 1.00 10.00 O ATOM 691 CB SER A 45 -8.328 -3.363 2.341 1.00 10.00 C ATOM 692 OG SER A 45 -9.648 -2.887 2.522 1.00 10.00 O ATOM 0 H SER A 45 -6.696 -5.209 2.002 1.00 10.00 H new ATOM 0 HA SER A 45 -9.246 -4.565 0.831 1.00 10.00 H new ATOM 0 HB2 SER A 45 -8.034 -3.982 3.189 1.00 10.00 H new ATOM 0 HB3 SER A 45 -7.631 -2.526 2.300 1.00 10.00 H new ATOM 0 HG SER A 45 -9.698 -2.368 3.352 1.00 10.00 H new ATOM 698 N VAL A 46 -6.527 -3.134 -0.324 1.00 10.00 N ATOM 699 CA VAL A 46 -5.939 -2.457 -1.473 1.00 10.00 C ATOM 700 C VAL A 46 -6.287 -3.199 -2.772 1.00 10.00 C ATOM 701 O VAL A 46 -6.660 -2.582 -3.772 1.00 10.00 O ATOM 702 CB VAL A 46 -4.427 -2.309 -1.244 1.00 10.00 C ATOM 703 CG1 VAL A 46 -3.735 -3.657 -1.257 1.00 10.00 C ATOM 704 CG2 VAL A 46 -3.693 -1.533 -2.323 1.00 10.00 C ATOM 0 H VAL A 46 -5.832 -3.473 0.341 1.00 10.00 H new ATOM 0 HA VAL A 46 -6.356 -1.456 -1.581 1.00 10.00 H new ATOM 0 HB VAL A 46 -4.379 -1.787 -0.289 1.00 10.00 H new ATOM 0 HG11 VAL A 46 -2.666 -3.519 -1.092 1.00 10.00 H new ATOM 0 HG12 VAL A 46 -4.146 -4.285 -0.466 1.00 10.00 H new ATOM 0 HG13 VAL A 46 -3.894 -4.138 -2.222 1.00 10.00 H new ATOM 0 HG21 VAL A 46 -2.633 -1.480 -2.076 1.00 10.00 H new ATOM 0 HG22 VAL A 46 -3.818 -2.036 -3.282 1.00 10.00 H new ATOM 0 HG23 VAL A 46 -4.101 -0.524 -2.387 1.00 10.00 H new ATOM 714 N LYS A 47 -6.211 -4.538 -2.740 1.00 10.00 N ATOM 715 CA LYS A 47 -6.541 -5.350 -3.900 1.00 10.00 C ATOM 716 C LYS A 47 -8.054 -5.276 -4.171 1.00 10.00 C ATOM 717 O LYS A 47 -8.494 -5.273 -5.316 1.00 10.00 O ATOM 718 CB LYS A 47 -5.976 -6.780 -3.774 1.00 10.00 C ATOM 719 CG LYS A 47 -6.952 -7.896 -3.393 1.00 10.00 C ATOM 720 CD LYS A 47 -7.894 -8.175 -4.569 1.00 10.00 C ATOM 721 CE LYS A 47 -8.037 -9.666 -4.890 1.00 10.00 C ATOM 722 NZ LYS A 47 -6.796 -10.216 -5.478 1.00 10.00 N ATOM 0 H LYS A 47 -5.923 -5.072 -1.920 1.00 10.00 H new ATOM 0 HA LYS A 47 -6.050 -4.947 -4.786 1.00 10.00 H new ATOM 0 HB2 LYS A 47 -5.517 -7.045 -4.727 1.00 10.00 H new ATOM 0 HB3 LYS A 47 -5.179 -6.762 -3.031 1.00 10.00 H new ATOM 0 HG2 LYS A 47 -6.403 -8.800 -3.131 1.00 10.00 H new ATOM 0 HG3 LYS A 47 -7.527 -7.606 -2.514 1.00 10.00 H new ATOM 0 HD2 LYS A 47 -8.878 -7.763 -4.343 1.00 10.00 H new ATOM 0 HD3 LYS A 47 -7.525 -7.654 -5.453 1.00 10.00 H new ATOM 0 HE2 LYS A 47 -8.283 -10.213 -3.980 1.00 10.00 H new ATOM 0 HE3 LYS A 47 -8.865 -9.812 -5.583 1.00 10.00 H new ATOM 0 HZ1 LYS A 47 -6.949 -11.209 -5.746 1.00 10.00 H new ATOM 0 HZ2 LYS A 47 -6.538 -9.666 -6.322 1.00 10.00 H new ATOM 0 HZ3 LYS A 47 -6.027 -10.160 -4.780 1.00 10.00 H new ATOM 736 N THR A 48 -8.870 -5.208 -3.118 1.00 10.00 N ATOM 737 CA THR A 48 -10.320 -5.073 -3.254 1.00 10.00 C ATOM 738 C THR A 48 -10.723 -3.664 -3.711 1.00 10.00 C ATOM 739 O THR A 48 -11.693 -3.518 -4.452 1.00 10.00 O ATOM 740 CB THR A 48 -10.979 -5.455 -1.920 1.00 10.00 C ATOM 741 OG1 THR A 48 -10.790 -6.841 -1.718 1.00 10.00 O ATOM 742 CG2 THR A 48 -12.482 -5.175 -1.876 1.00 10.00 C ATOM 0 H THR A 48 -8.546 -5.245 -2.152 1.00 10.00 H new ATOM 0 HA THR A 48 -10.672 -5.750 -4.033 1.00 10.00 H new ATOM 0 HB THR A 48 -10.513 -4.845 -1.146 1.00 10.00 H new ATOM 0 HG1 THR A 48 -9.903 -6.997 -1.332 1.00 10.00 H new ATOM 0 HG21 THR A 48 -12.879 -5.470 -0.904 1.00 10.00 H new ATOM 0 HG22 THR A 48 -12.659 -4.111 -2.032 1.00 10.00 H new ATOM 0 HG23 THR A 48 -12.981 -5.745 -2.660 1.00 10.00 H new ATOM 750 N GLY A 49 -9.994 -2.628 -3.284 1.00 10.00 N ATOM 751 CA GLY A 49 -10.399 -1.239 -3.443 1.00 10.00 C ATOM 752 C GLY A 49 -11.008 -0.709 -2.147 1.00 10.00 C ATOM 753 O GLY A 49 -12.059 -1.172 -1.709 1.00 10.00 O ATOM 0 H GLY A 49 -9.096 -2.738 -2.813 1.00 10.00 H new ATOM 0 HA2 GLY A 49 -9.537 -0.632 -3.722 1.00 10.00 H new ATOM 0 HA3 GLY A 49 -11.123 -1.155 -4.253 1.00 10.00 H new ATOM 757 N LEU A 50 -10.348 0.278 -1.540 1.00 10.00 N ATOM 758 CA LEU A 50 -10.922 1.057 -0.449 1.00 10.00 C ATOM 759 C LEU A 50 -11.905 2.099 -1.036 1.00 10.00 C ATOM 760 O LEU A 50 -12.450 1.913 -2.120 1.00 10.00 O ATOM 761 CB LEU A 50 -9.756 1.680 0.341 1.00 10.00 C ATOM 762 CG LEU A 50 -9.963 1.746 1.861 1.00 10.00 C ATOM 763 CD1 LEU A 50 -9.286 0.535 2.512 1.00 10.00 C ATOM 764 CD2 LEU A 50 -9.343 3.029 2.430 1.00 10.00 C ATOM 0 H LEU A 50 -9.400 0.558 -1.793 1.00 10.00 H new ATOM 0 HA LEU A 50 -11.502 0.446 0.242 1.00 10.00 H new ATOM 0 HB2 LEU A 50 -8.852 1.107 0.137 1.00 10.00 H new ATOM 0 HB3 LEU A 50 -9.584 2.690 -0.031 1.00 10.00 H new ATOM 0 HG LEU A 50 -11.032 1.743 2.073 1.00 10.00 H new ATOM 0 HD11 LEU A 50 -9.429 0.575 3.592 1.00 10.00 H new ATOM 0 HD12 LEU A 50 -9.727 -0.382 2.121 1.00 10.00 H new ATOM 0 HD13 LEU A 50 -8.220 0.549 2.286 1.00 10.00 H new ATOM 0 HD21 LEU A 50 -9.498 3.061 3.508 1.00 10.00 H new ATOM 0 HD22 LEU A 50 -8.274 3.042 2.217 1.00 10.00 H new ATOM 0 HD23 LEU A 50 -9.816 3.897 1.970 1.00 10.00 H new ATOM 776 N ASN A 51 -12.114 3.227 -0.354 1.00 10.00 N ATOM 777 CA ASN A 51 -13.025 4.289 -0.806 1.00 10.00 C ATOM 778 C ASN A 51 -12.335 5.180 -1.839 1.00 10.00 C ATOM 779 O ASN A 51 -12.754 5.302 -2.985 1.00 10.00 O ATOM 780 CB ASN A 51 -13.484 5.130 0.396 1.00 10.00 C ATOM 781 CG ASN A 51 -13.925 4.221 1.526 1.00 10.00 C ATOM 782 OD1 ASN A 51 -12.971 3.829 2.360 1.00 10.00 O flip ATOM 783 ND2 ASN A 51 -15.077 3.820 1.618 1.00 10.00 N flip ATOM 0 H ASN A 51 -11.655 3.434 0.533 1.00 10.00 H new ATOM 0 HA ASN A 51 -13.896 3.829 -1.273 1.00 10.00 H new ATOM 0 HB2 ASN A 51 -12.671 5.773 0.732 1.00 10.00 H new ATOM 0 HB3 ASN A 51 -14.306 5.783 0.101 1.00 10.00 H new ATOM 0 HD21 ASN A 51 -15.784 4.144 0.958 1.00 10.00 H new ATOM 0 HD22 ASN A 51 -15.331 3.162 2.355 1.00 10.00 H new ATOM 790 N ALA A 52 -11.247 5.799 -1.387 1.00 10.00 N ATOM 791 CA ALA A 52 -10.385 6.666 -2.170 1.00 10.00 C ATOM 792 C ALA A 52 -9.319 5.879 -2.952 1.00 10.00 C ATOM 793 O ALA A 52 -8.594 6.468 -3.753 1.00 10.00 O ATOM 794 CB ALA A 52 -9.746 7.647 -1.190 1.00 10.00 C ATOM 0 H ALA A 52 -10.933 5.702 -0.422 1.00 10.00 H new ATOM 0 HA ALA A 52 -10.968 7.191 -2.927 1.00 10.00 H new ATOM 0 HB1 ALA A 52 -9.085 8.324 -1.732 1.00 10.00 H new ATOM 0 HB2 ALA A 52 -10.526 8.223 -0.691 1.00 10.00 H new ATOM 0 HB3 ALA A 52 -9.170 7.096 -0.447 1.00 10.00 H new ATOM 800 N MET A 53 -9.206 4.562 -2.720 1.00 10.00 N ATOM 801 CA MET A 53 -8.262 3.709 -3.452 1.00 10.00 C ATOM 802 C MET A 53 -8.910 3.040 -4.674 1.00 10.00 C ATOM 803 O MET A 53 -10.061 2.610 -4.599 1.00 10.00 O ATOM 804 CB MET A 53 -7.678 2.636 -2.516 1.00 10.00 C ATOM 805 CG MET A 53 -6.154 2.707 -2.355 1.00 10.00 C ATOM 806 SD MET A 53 -5.682 2.795 -0.616 1.00 10.00 S ATOM 807 CE MET A 53 -5.684 1.046 -0.176 1.00 10.00 C ATOM 0 H MET A 53 -9.762 4.063 -2.025 1.00 10.00 H new ATOM 0 HA MET A 53 -7.461 4.353 -3.816 1.00 10.00 H new ATOM 0 HB2 MET A 53 -8.141 2.735 -1.534 1.00 10.00 H new ATOM 0 HB3 MET A 53 -7.947 1.651 -2.898 1.00 10.00 H new ATOM 0 HG2 MET A 53 -5.696 1.831 -2.814 1.00 10.00 H new ATOM 0 HG3 MET A 53 -5.771 3.580 -2.883 1.00 10.00 H new ATOM 0 HE1 MET A 53 -5.748 0.943 0.907 1.00 10.00 H new ATOM 0 HE2 MET A 53 -6.541 0.556 -0.638 1.00 10.00 H new ATOM 0 HE3 MET A 53 -4.764 0.580 -0.531 1.00 10.00 H new ATOM 817 N PRO A 54 -8.176 2.900 -5.788 1.00 10.00 N ATOM 818 CA PRO A 54 -8.671 2.203 -6.964 1.00 10.00 C ATOM 819 C PRO A 54 -8.811 0.696 -6.686 1.00 10.00 C ATOM 820 O PRO A 54 -8.032 0.137 -5.910 1.00 10.00 O ATOM 821 CB PRO A 54 -7.653 2.502 -8.070 1.00 10.00 C ATOM 822 CG PRO A 54 -6.356 2.769 -7.306 1.00 10.00 C ATOM 823 CD PRO A 54 -6.811 3.364 -5.979 1.00 10.00 C ATOM 0 HA PRO A 54 -9.667 2.535 -7.256 1.00 10.00 H new ATOM 0 HB2 PRO A 54 -7.548 1.661 -8.756 1.00 10.00 H new ATOM 0 HB3 PRO A 54 -7.951 3.364 -8.666 1.00 10.00 H new ATOM 0 HG2 PRO A 54 -5.788 1.851 -7.155 1.00 10.00 H new ATOM 0 HG3 PRO A 54 -5.710 3.458 -7.849 1.00 10.00 H new ATOM 0 HD2 PRO A 54 -6.168 3.037 -5.162 1.00 10.00 H new ATOM 0 HD3 PRO A 54 -6.767 4.453 -6.002 1.00 10.00 H new ATOM 831 N PRO A 55 -9.790 0.024 -7.315 1.00 10.00 N ATOM 832 CA PRO A 55 -10.028 -1.399 -7.127 1.00 10.00 C ATOM 833 C PRO A 55 -8.853 -2.200 -7.689 1.00 10.00 C ATOM 834 O PRO A 55 -8.639 -2.221 -8.899 1.00 10.00 O ATOM 835 CB PRO A 55 -11.354 -1.686 -7.841 1.00 10.00 C ATOM 836 CG PRO A 55 -11.407 -0.624 -8.940 1.00 10.00 C ATOM 837 CD PRO A 55 -10.704 0.575 -8.303 1.00 10.00 C ATOM 0 HA PRO A 55 -10.101 -1.690 -6.079 1.00 10.00 H new ATOM 0 HB2 PRO A 55 -11.376 -2.694 -8.256 1.00 10.00 H new ATOM 0 HB3 PRO A 55 -12.202 -1.602 -7.161 1.00 10.00 H new ATOM 0 HG2 PRO A 55 -10.897 -0.955 -9.845 1.00 10.00 H new ATOM 0 HG3 PRO A 55 -12.433 -0.386 -9.221 1.00 10.00 H new ATOM 0 HD2 PRO A 55 -10.165 1.155 -9.052 1.00 10.00 H new ATOM 0 HD3 PRO A 55 -11.424 1.247 -7.837 1.00 10.00 H new ATOM 845 N GLY A 56 -8.058 -2.826 -6.813 1.00 10.00 N ATOM 846 CA GLY A 56 -6.872 -3.562 -7.237 1.00 10.00 C ATOM 847 C GLY A 56 -5.626 -2.683 -7.232 1.00 10.00 C ATOM 848 O GLY A 56 -4.785 -2.816 -8.119 1.00 10.00 O ATOM 0 H GLY A 56 -8.219 -2.835 -5.806 1.00 10.00 H new ATOM 0 HA2 GLY A 56 -6.718 -4.414 -6.575 1.00 10.00 H new ATOM 0 HA3 GLY A 56 -7.031 -3.961 -8.239 1.00 10.00 H new ATOM 852 N GLY A 57 -5.534 -1.763 -6.260 1.00 10.00 N ATOM 853 CA GLY A 57 -4.530 -0.702 -6.131 1.00 10.00 C ATOM 854 C GLY A 57 -3.937 -0.184 -7.449 1.00 10.00 C ATOM 855 O GLY A 57 -2.736 0.060 -7.529 1.00 10.00 O ATOM 0 H GLY A 57 -6.206 -1.741 -5.493 1.00 10.00 H new ATOM 0 HA2 GLY A 57 -4.981 0.137 -5.602 1.00 10.00 H new ATOM 0 HA3 GLY A 57 -3.716 -1.071 -5.508 1.00 10.00 H new ATOM 859 N MET A 58 -4.778 -0.048 -8.480 1.00 10.00 N ATOM 860 CA MET A 58 -4.431 0.325 -9.853 1.00 10.00 C ATOM 861 C MET A 58 -3.503 -0.658 -10.603 1.00 10.00 C ATOM 862 O MET A 58 -3.199 -0.429 -11.772 1.00 10.00 O ATOM 863 CB MET A 58 -3.892 1.767 -9.905 1.00 10.00 C ATOM 864 CG MET A 58 -4.650 2.652 -10.912 1.00 10.00 C ATOM 865 SD MET A 58 -3.637 3.750 -11.936 1.00 10.00 S ATOM 866 CE MET A 58 -3.348 2.673 -13.354 1.00 10.00 C ATOM 0 H MET A 58 -5.780 -0.205 -8.370 1.00 10.00 H new ATOM 0 HA MET A 58 -5.370 0.265 -10.404 1.00 10.00 H new ATOM 0 HB2 MET A 58 -3.962 2.212 -8.913 1.00 10.00 H new ATOM 0 HB3 MET A 58 -2.835 1.746 -10.171 1.00 10.00 H new ATOM 0 HG2 MET A 58 -5.226 2.003 -11.572 1.00 10.00 H new ATOM 0 HG3 MET A 58 -5.366 3.262 -10.361 1.00 10.00 H new ATOM 0 HE1 MET A 58 -2.735 3.195 -14.089 1.00 10.00 H new ATOM 0 HE2 MET A 58 -2.832 1.771 -13.026 1.00 10.00 H new ATOM 0 HE3 MET A 58 -4.302 2.401 -13.805 1.00 10.00 H new ATOM 876 N CYS A 59 -3.066 -1.753 -9.972 1.00 10.00 N ATOM 877 CA CYS A 59 -2.234 -2.791 -10.586 1.00 10.00 C ATOM 878 C CYS A 59 -3.062 -3.952 -11.147 1.00 10.00 C ATOM 879 O CYS A 59 -2.630 -4.589 -12.106 1.00 10.00 O ATOM 880 CB CYS A 59 -1.145 -3.268 -9.610 1.00 10.00 C ATOM 881 SG CYS A 59 -1.619 -3.561 -7.891 1.00 10.00 S ATOM 0 H CYS A 59 -3.287 -1.946 -8.995 1.00 10.00 H new ATOM 0 HA CYS A 59 -1.734 -2.342 -11.445 1.00 10.00 H new ATOM 0 HB2 CYS A 59 -0.726 -4.194 -10.004 1.00 10.00 H new ATOM 0 HB3 CYS A 59 -0.345 -2.528 -9.615 1.00 10.00 H new ATOM 886 N THR A 60 -4.234 -4.237 -10.565 1.00 10.00 N ATOM 887 CA THR A 60 -5.130 -5.331 -10.960 1.00 10.00 C ATOM 888 C THR A 60 -4.499 -6.708 -10.712 1.00 10.00 C ATOM 889 O THR A 60 -4.892 -7.419 -9.787 1.00 10.00 O ATOM 890 CB THR A 60 -5.627 -5.158 -12.410 1.00 10.00 C ATOM 891 OG1 THR A 60 -6.338 -3.944 -12.506 1.00 10.00 O ATOM 892 CG2 THR A 60 -6.569 -6.285 -12.842 1.00 10.00 C ATOM 0 H THR A 60 -4.596 -3.695 -9.781 1.00 10.00 H new ATOM 0 HA THR A 60 -6.010 -5.281 -10.319 1.00 10.00 H new ATOM 0 HB THR A 60 -4.751 -5.172 -13.058 1.00 10.00 H new ATOM 0 HG1 THR A 60 -6.657 -3.823 -13.425 1.00 10.00 H new ATOM 0 HG21 THR A 60 -6.890 -6.117 -13.870 1.00 10.00 H new ATOM 0 HG22 THR A 60 -6.048 -7.240 -12.777 1.00 10.00 H new ATOM 0 HG23 THR A 60 -7.440 -6.302 -12.187 1.00 10.00 H new ATOM 900 N ASP A 61 -3.496 -7.077 -11.512 1.00 10.00 N ATOM 901 CA ASP A 61 -2.774 -8.338 -11.426 1.00 10.00 C ATOM 902 C ASP A 61 -1.725 -8.269 -10.294 1.00 10.00 C ATOM 903 O ASP A 61 -0.528 -8.450 -10.501 1.00 10.00 O ATOM 904 CB ASP A 61 -2.180 -8.595 -12.822 1.00 10.00 C ATOM 905 CG ASP A 61 -1.699 -10.021 -13.037 1.00 10.00 C ATOM 906 OD1 ASP A 61 -1.829 -10.832 -12.096 1.00 10.00 O ATOM 907 OD2 ASP A 61 -1.229 -10.270 -14.169 1.00 10.00 O ATOM 0 H ASP A 61 -3.155 -6.479 -12.265 1.00 10.00 H new ATOM 0 HA ASP A 61 -3.417 -9.178 -11.162 1.00 10.00 H new ATOM 0 HB2 ASP A 61 -2.932 -8.359 -13.575 1.00 10.00 H new ATOM 0 HB3 ASP A 61 -1.345 -7.913 -12.981 1.00 10.00 H new ATOM 912 N CYS A 62 -2.180 -7.926 -9.085 1.00 10.00 N ATOM 913 CA CYS A 62 -1.336 -7.689 -7.917 1.00 10.00 C ATOM 914 C CYS A 62 -1.228 -8.977 -7.102 1.00 10.00 C ATOM 915 O CYS A 62 -2.230 -9.465 -6.578 1.00 10.00 O ATOM 916 CB CYS A 62 -1.930 -6.568 -7.053 1.00 10.00 C ATOM 917 SG CYS A 62 -2.887 -5.249 -7.844 1.00 10.00 S ATOM 0 H CYS A 62 -3.174 -7.803 -8.890 1.00 10.00 H new ATOM 0 HA CYS A 62 -0.343 -7.384 -8.246 1.00 10.00 H new ATOM 0 HB2 CYS A 62 -2.572 -7.036 -6.306 1.00 10.00 H new ATOM 0 HB3 CYS A 62 -1.106 -6.098 -6.516 1.00 10.00 H new ATOM 922 N THR A 63 -0.013 -9.512 -6.979 1.00 10.00 N ATOM 923 CA THR A 63 0.222 -10.792 -6.326 1.00 10.00 C ATOM 924 C THR A 63 1.079 -10.542 -5.095 1.00 10.00 C ATOM 925 O THR A 63 2.112 -9.875 -5.198 1.00 10.00 O ATOM 926 CB THR A 63 0.900 -11.742 -7.323 1.00 10.00 C ATOM 927 OG1 THR A 63 0.065 -11.862 -8.453 1.00 10.00 O ATOM 928 CG2 THR A 63 1.083 -13.144 -6.742 1.00 10.00 C ATOM 0 H THR A 63 0.834 -9.066 -7.331 1.00 10.00 H new ATOM 0 HA THR A 63 -0.709 -11.261 -6.008 1.00 10.00 H new ATOM 0 HB THR A 63 1.880 -11.331 -7.568 1.00 10.00 H new ATOM 0 HG1 THR A 63 0.481 -12.464 -9.105 1.00 10.00 H new ATOM 0 HG21 THR A 63 1.566 -13.784 -7.481 1.00 10.00 H new ATOM 0 HG22 THR A 63 1.704 -13.089 -5.848 1.00 10.00 H new ATOM 0 HG23 THR A 63 0.110 -13.560 -6.483 1.00 10.00 H new ATOM 936 N ASP A 64 0.646 -11.059 -3.940 1.00 10.00 N ATOM 937 CA ASP A 64 1.314 -10.953 -2.656 1.00 10.00 C ATOM 938 C ASP A 64 2.845 -11.040 -2.779 1.00 10.00 C ATOM 939 O ASP A 64 3.538 -10.245 -2.159 1.00 10.00 O ATOM 940 CB ASP A 64 0.716 -12.023 -1.734 1.00 10.00 C ATOM 941 CG ASP A 64 -0.692 -11.720 -1.223 1.00 10.00 C ATOM 942 OD1 ASP A 64 -1.265 -10.666 -1.562 1.00 10.00 O ATOM 943 OD2 ASP A 64 -1.234 -12.572 -0.487 1.00 10.00 O ATOM 0 H ASP A 64 -0.224 -11.588 -3.882 1.00 10.00 H new ATOM 0 HA ASP A 64 1.141 -9.968 -2.223 1.00 10.00 H new ATOM 0 HB2 ASP A 64 0.696 -12.972 -2.269 1.00 10.00 H new ATOM 0 HB3 ASP A 64 1.377 -12.154 -0.877 1.00 10.00 H new ATOM 948 N GLU A 65 3.370 -11.938 -3.619 1.00 10.00 N ATOM 949 CA GLU A 65 4.780 -11.982 -4.009 1.00 10.00 C ATOM 950 C GLU A 65 5.444 -10.596 -4.142 1.00 10.00 C ATOM 951 O GLU A 65 6.415 -10.336 -3.432 1.00 10.00 O ATOM 952 CB GLU A 65 4.941 -12.814 -5.289 1.00 10.00 C ATOM 953 CG GLU A 65 4.540 -14.284 -5.066 1.00 10.00 C ATOM 954 CD GLU A 65 5.206 -15.220 -6.066 1.00 10.00 C ATOM 955 OE1 GLU A 65 6.389 -15.541 -5.831 1.00 10.00 O ATOM 956 OE2 GLU A 65 4.516 -15.598 -7.038 1.00 10.00 O ATOM 0 H GLU A 65 2.812 -12.671 -4.056 1.00 10.00 H new ATOM 0 HA GLU A 65 5.315 -12.465 -3.192 1.00 10.00 H new ATOM 0 HB2 GLU A 65 4.327 -12.385 -6.081 1.00 10.00 H new ATOM 0 HB3 GLU A 65 5.976 -12.766 -5.626 1.00 10.00 H new ATOM 0 HG2 GLU A 65 4.812 -14.583 -4.054 1.00 10.00 H new ATOM 0 HG3 GLU A 65 3.457 -14.380 -5.147 1.00 10.00 H new ATOM 963 N ASP A 66 4.918 -9.696 -4.990 1.00 10.00 N ATOM 964 CA ASP A 66 5.423 -8.323 -5.058 1.00 10.00 C ATOM 965 C ASP A 66 4.641 -7.394 -4.114 1.00 10.00 C ATOM 966 O ASP A 66 5.203 -6.478 -3.516 1.00 10.00 O ATOM 967 CB ASP A 66 5.434 -7.838 -6.524 1.00 10.00 C ATOM 968 CG ASP A 66 6.801 -7.827 -7.206 1.00 10.00 C ATOM 969 OD1 ASP A 66 7.829 -7.688 -6.506 1.00 10.00 O ATOM 970 OD2 ASP A 66 6.779 -7.868 -8.452 1.00 10.00 O ATOM 0 H ASP A 66 4.150 -9.896 -5.631 1.00 10.00 H new ATOM 0 HA ASP A 66 6.454 -8.299 -4.706 1.00 10.00 H new ATOM 0 HB2 ASP A 66 4.764 -8.474 -7.103 1.00 10.00 H new ATOM 0 HB3 ASP A 66 5.023 -6.829 -6.557 1.00 10.00 H new ATOM 975 N TYR A 67 3.336 -7.616 -3.941 1.00 10.00 N ATOM 976 CA TYR A 67 2.468 -6.690 -3.227 1.00 10.00 C ATOM 977 C TYR A 67 2.805 -6.602 -1.725 1.00 10.00 C ATOM 978 O TYR A 67 2.900 -5.515 -1.158 1.00 10.00 O ATOM 979 CB TYR A 67 1.022 -7.117 -3.525 1.00 10.00 C ATOM 980 CG TYR A 67 -0.031 -6.040 -3.676 1.00 10.00 C ATOM 981 CD1 TYR A 67 0.252 -4.829 -4.341 1.00 10.00 C ATOM 982 CD2 TYR A 67 -1.371 -6.419 -3.489 1.00 10.00 C ATOM 983 CE1 TYR A 67 -0.789 -3.964 -4.708 1.00 10.00 C ATOM 984 CE2 TYR A 67 -2.408 -5.561 -3.879 1.00 10.00 C ATOM 985 CZ TYR A 67 -2.120 -4.329 -4.470 1.00 10.00 C ATOM 986 OH TYR A 67 -3.140 -3.593 -4.982 1.00 10.00 O ATOM 0 H TYR A 67 2.856 -8.444 -4.294 1.00 10.00 H new ATOM 0 HA TYR A 67 2.619 -5.667 -3.573 1.00 10.00 H new ATOM 0 HB2 TYR A 67 1.032 -7.703 -4.444 1.00 10.00 H new ATOM 0 HB3 TYR A 67 0.702 -7.785 -2.725 1.00 10.00 H new ATOM 0 HD1 TYR A 67 1.275 -4.567 -4.569 1.00 10.00 H new ATOM 0 HD2 TYR A 67 -1.603 -7.375 -3.043 1.00 10.00 H new ATOM 0 HE1 TYR A 67 -0.564 -3.016 -5.174 1.00 10.00 H new ATOM 0 HE2 TYR A 67 -3.435 -5.854 -3.722 1.00 10.00 H new ATOM 0 HH TYR A 67 -3.046 -3.537 -5.956 1.00 10.00 H new ATOM 996 N LYS A 68 3.076 -7.744 -1.088 1.00 10.00 N ATOM 997 CA LYS A 68 3.526 -7.811 0.300 1.00 10.00 C ATOM 998 C LYS A 68 4.880 -7.113 0.443 1.00 10.00 C ATOM 999 O LYS A 68 5.077 -6.341 1.370 1.00 10.00 O ATOM 1000 CB LYS A 68 3.534 -9.263 0.828 1.00 10.00 C ATOM 1001 CG LYS A 68 4.814 -10.059 0.515 1.00 10.00 C ATOM 1002 CD LYS A 68 4.614 -11.582 0.595 1.00 10.00 C ATOM 1003 CE LYS A 68 4.694 -12.159 2.019 1.00 10.00 C ATOM 1004 NZ LYS A 68 3.419 -12.059 2.778 1.00 10.00 N ATOM 0 H LYS A 68 2.987 -8.659 -1.530 1.00 10.00 H new ATOM 0 HA LYS A 68 2.815 -7.276 0.929 1.00 10.00 H new ATOM 0 HB2 LYS A 68 3.392 -9.242 1.908 1.00 10.00 H new ATOM 0 HB3 LYS A 68 2.681 -9.793 0.404 1.00 10.00 H new ATOM 0 HG2 LYS A 68 5.162 -9.797 -0.484 1.00 10.00 H new ATOM 0 HG3 LYS A 68 5.597 -9.765 1.213 1.00 10.00 H new ATOM 0 HD2 LYS A 68 3.642 -11.832 0.169 1.00 10.00 H new ATOM 0 HD3 LYS A 68 5.368 -12.068 -0.024 1.00 10.00 H new ATOM 0 HE2 LYS A 68 4.991 -13.206 1.961 1.00 10.00 H new ATOM 0 HE3 LYS A 68 5.476 -11.636 2.570 1.00 10.00 H new ATOM 0 HZ1 LYS A 68 3.612 -11.703 3.736 1.00 10.00 H new ATOM 0 HZ2 LYS A 68 2.774 -11.405 2.289 1.00 10.00 H new ATOM 0 HZ3 LYS A 68 2.978 -12.999 2.840 1.00 10.00 H new ATOM 1018 N ALA A 69 5.790 -7.344 -0.508 1.00 10.00 N ATOM 1019 CA ALA A 69 7.099 -6.701 -0.569 1.00 10.00 C ATOM 1020 C ALA A 69 6.986 -5.184 -0.813 1.00 10.00 C ATOM 1021 O ALA A 69 7.819 -4.389 -0.387 1.00 10.00 O ATOM 1022 CB ALA A 69 7.922 -7.409 -1.644 1.00 10.00 C ATOM 0 H ALA A 69 5.630 -7.999 -1.273 1.00 10.00 H new ATOM 0 HA ALA A 69 7.605 -6.796 0.392 1.00 10.00 H new ATOM 0 HB1 ALA A 69 8.907 -6.947 -1.711 1.00 10.00 H new ATOM 0 HB2 ALA A 69 8.031 -8.462 -1.384 1.00 10.00 H new ATOM 0 HB3 ALA A 69 7.415 -7.323 -2.605 1.00 10.00 H new ATOM 1028 N ALA A 70 5.923 -4.764 -1.492 1.00 10.00 N ATOM 1029 CA ALA A 70 5.647 -3.368 -1.791 1.00 10.00 C ATOM 1030 C ALA A 70 5.157 -2.662 -0.531 1.00 10.00 C ATOM 1031 O ALA A 70 5.663 -1.602 -0.192 1.00 10.00 O ATOM 1032 CB ALA A 70 4.646 -3.271 -2.941 1.00 10.00 C ATOM 0 H ALA A 70 5.215 -5.401 -1.857 1.00 10.00 H new ATOM 0 HA ALA A 70 6.559 -2.865 -2.114 1.00 10.00 H new ATOM 0 HB1 ALA A 70 4.444 -2.223 -3.160 1.00 10.00 H new ATOM 0 HB2 ALA A 70 5.061 -3.753 -3.826 1.00 10.00 H new ATOM 0 HB3 ALA A 70 3.718 -3.768 -2.659 1.00 10.00 H new ATOM 1038 N ILE A 71 4.222 -3.277 0.196 1.00 10.00 N ATOM 1039 CA ILE A 71 3.808 -2.810 1.525 1.00 10.00 C ATOM 1040 C ILE A 71 4.983 -2.835 2.521 1.00 10.00 C ATOM 1041 O ILE A 71 5.226 -1.875 3.255 1.00 10.00 O ATOM 1042 CB ILE A 71 2.597 -3.647 1.998 1.00 10.00 C ATOM 1043 CG1 ILE A 71 1.265 -3.024 1.547 1.00 10.00 C ATOM 1044 CG2 ILE A 71 2.594 -3.981 3.500 1.00 10.00 C ATOM 1045 CD1 ILE A 71 0.786 -3.629 0.228 1.00 10.00 C ATOM 0 H ILE A 71 3.729 -4.113 -0.118 1.00 10.00 H new ATOM 0 HA ILE A 71 3.497 -1.767 1.469 1.00 10.00 H new ATOM 0 HB ILE A 71 2.709 -4.610 1.500 1.00 10.00 H new ATOM 0 HG12 ILE A 71 0.509 -3.180 2.317 1.00 10.00 H new ATOM 0 HG13 ILE A 71 1.385 -1.947 1.433 1.00 10.00 H new ATOM 0 HG21 ILE A 71 1.709 -4.570 3.740 1.00 10.00 H new ATOM 0 HG22 ILE A 71 3.488 -4.553 3.747 1.00 10.00 H new ATOM 0 HG23 ILE A 71 2.583 -3.057 4.078 1.00 10.00 H new ATOM 0 HD11 ILE A 71 -0.158 -3.167 -0.063 1.00 10.00 H new ATOM 0 HD12 ILE A 71 1.532 -3.450 -0.547 1.00 10.00 H new ATOM 0 HD13 ILE A 71 0.642 -4.702 0.351 1.00 10.00 H new ATOM 1057 N GLU A 72 5.732 -3.940 2.547 1.00 10.00 N ATOM 1058 CA GLU A 72 6.846 -4.107 3.477 1.00 10.00 C ATOM 1059 C GLU A 72 7.914 -3.030 3.297 1.00 10.00 C ATOM 1060 O GLU A 72 8.432 -2.533 4.298 1.00 10.00 O ATOM 1061 CB GLU A 72 7.369 -5.552 3.535 1.00 10.00 C ATOM 1062 CG GLU A 72 8.557 -5.855 2.615 1.00 10.00 C ATOM 1063 CD GLU A 72 9.915 -5.526 3.224 1.00 10.00 C ATOM 1064 OE1 GLU A 72 10.234 -6.162 4.252 1.00 10.00 O ATOM 1065 OE2 GLU A 72 10.604 -4.665 2.639 1.00 10.00 O ATOM 0 H GLU A 72 5.583 -4.737 1.928 1.00 10.00 H new ATOM 0 HA GLU A 72 6.458 -3.939 4.482 1.00 10.00 H new ATOM 0 HB2 GLU A 72 7.659 -5.775 4.562 1.00 10.00 H new ATOM 0 HB3 GLU A 72 6.552 -6.227 3.281 1.00 10.00 H new ATOM 0 HG2 GLU A 72 8.536 -6.912 2.349 1.00 10.00 H new ATOM 0 HG3 GLU A 72 8.439 -5.291 1.690 1.00 10.00 H new ATOM 1072 N PHE A 73 8.139 -2.601 2.044 1.00 10.00 N ATOM 1073 CA PHE A 73 9.094 -1.549 1.706 1.00 10.00 C ATOM 1074 C PHE A 73 9.016 -0.333 2.641 1.00 10.00 C ATOM 1075 O PHE A 73 10.040 0.236 3.015 1.00 10.00 O ATOM 1076 CB PHE A 73 8.860 -1.117 0.254 1.00 10.00 C ATOM 1077 CG PHE A 73 9.889 -0.135 -0.260 1.00 10.00 C ATOM 1078 CD1 PHE A 73 9.703 1.249 -0.071 1.00 10.00 C ATOM 1079 CD2 PHE A 73 11.058 -0.607 -0.880 1.00 10.00 C ATOM 1080 CE1 PHE A 73 10.694 2.154 -0.489 1.00 10.00 C ATOM 1081 CE2 PHE A 73 12.031 0.301 -1.331 1.00 10.00 C ATOM 1082 CZ PHE A 73 11.854 1.679 -1.123 1.00 10.00 C ATOM 0 H PHE A 73 7.654 -2.984 1.233 1.00 10.00 H new ATOM 0 HA PHE A 73 10.095 -1.961 1.831 1.00 10.00 H new ATOM 0 HB2 PHE A 73 8.863 -2.001 -0.384 1.00 10.00 H new ATOM 0 HB3 PHE A 73 7.870 -0.669 0.172 1.00 10.00 H new ATOM 0 HD1 PHE A 73 8.800 1.614 0.395 1.00 10.00 H new ATOM 0 HD2 PHE A 73 11.209 -1.668 -1.010 1.00 10.00 H new ATOM 0 HE1 PHE A 73 10.564 3.213 -0.323 1.00 10.00 H new ATOM 0 HE2 PHE A 73 12.914 -0.060 -1.837 1.00 10.00 H new ATOM 0 HZ PHE A 73 12.612 2.375 -1.451 1.00 10.00 H new ATOM 1092 N MET A 74 7.797 0.085 3.003 1.00 10.00 N ATOM 1093 CA MET A 74 7.593 1.258 3.837 1.00 10.00 C ATOM 1094 C MET A 74 7.902 0.966 5.315 1.00 10.00 C ATOM 1095 O MET A 74 8.831 1.533 5.888 1.00 10.00 O ATOM 1096 CB MET A 74 6.151 1.748 3.696 1.00 10.00 C ATOM 1097 CG MET A 74 5.742 2.277 2.311 1.00 10.00 C ATOM 1098 SD MET A 74 5.299 1.008 1.101 1.00 10.00 S ATOM 1099 CE MET A 74 3.766 1.641 0.375 1.00 10.00 C ATOM 0 H MET A 74 6.934 -0.382 2.724 1.00 10.00 H new ATOM 0 HA MET A 74 8.282 2.032 3.499 1.00 10.00 H new ATOM 0 HB2 MET A 74 5.484 0.927 3.959 1.00 10.00 H new ATOM 0 HB3 MET A 74 5.986 2.540 4.427 1.00 10.00 H new ATOM 0 HG2 MET A 74 4.894 2.951 2.433 1.00 10.00 H new ATOM 0 HG3 MET A 74 6.564 2.869 1.909 1.00 10.00 H new ATOM 0 HE1 MET A 74 3.567 1.123 -0.563 1.00 10.00 H new ATOM 0 HE2 MET A 74 2.940 1.472 1.065 1.00 10.00 H new ATOM 0 HE3 MET A 74 3.868 2.709 0.185 1.00 10.00 H new ATOM 1109 N SER A 75 7.079 0.122 5.952 1.00 10.00 N ATOM 1110 CA SER A 75 7.239 -0.265 7.358 1.00 10.00 C ATOM 1111 C SER A 75 6.419 -1.515 7.721 1.00 10.00 C ATOM 1112 O SER A 75 5.925 -1.624 8.841 1.00 10.00 O ATOM 1113 CB SER A 75 6.890 0.922 8.276 1.00 10.00 C ATOM 1114 OG SER A 75 7.453 0.737 9.563 1.00 10.00 O ATOM 0 H SER A 75 6.276 -0.315 5.500 1.00 10.00 H new ATOM 0 HA SER A 75 8.285 -0.532 7.510 1.00 10.00 H new ATOM 0 HB2 SER A 75 7.263 1.849 7.839 1.00 10.00 H new ATOM 0 HB3 SER A 75 5.807 1.021 8.357 1.00 10.00 H new ATOM 0 HG SER A 75 7.182 -0.136 9.916 1.00 10.00 H new ATOM 1120 N LYS A 76 6.257 -2.465 6.784 1.00 10.00 N ATOM 1121 CA LYS A 76 5.558 -3.740 6.993 1.00 10.00 C ATOM 1122 C LYS A 76 4.314 -3.635 7.879 1.00 10.00 C ATOM 1123 O LYS A 76 4.232 -4.274 8.926 1.00 10.00 O ATOM 1124 CB LYS A 76 6.547 -4.838 7.426 1.00 10.00 C ATOM 1125 CG LYS A 76 7.444 -4.453 8.610 1.00 10.00 C ATOM 1126 CD LYS A 76 8.194 -5.678 9.154 1.00 10.00 C ATOM 1127 CE LYS A 76 7.330 -6.422 10.181 1.00 10.00 C ATOM 1128 NZ LYS A 76 8.017 -7.624 10.697 1.00 10.00 N ATOM 0 H LYS A 76 6.619 -2.362 5.836 1.00 10.00 H new ATOM 0 HA LYS A 76 5.148 -4.040 6.029 1.00 10.00 H new ATOM 0 HB2 LYS A 76 5.984 -5.734 7.689 1.00 10.00 H new ATOM 0 HB3 LYS A 76 7.179 -5.096 6.576 1.00 10.00 H new ATOM 0 HG2 LYS A 76 8.160 -3.694 8.296 1.00 10.00 H new ATOM 0 HG3 LYS A 76 6.838 -4.012 9.402 1.00 10.00 H new ATOM 0 HD2 LYS A 76 8.453 -6.348 8.334 1.00 10.00 H new ATOM 0 HD3 LYS A 76 9.130 -5.364 9.616 1.00 10.00 H new ATOM 0 HE2 LYS A 76 7.091 -5.754 11.009 1.00 10.00 H new ATOM 0 HE3 LYS A 76 6.385 -6.711 9.722 1.00 10.00 H new ATOM 0 HZ1 LYS A 76 7.406 -8.103 11.389 1.00 10.00 H new ATOM 0 HZ2 LYS A 76 8.223 -8.271 9.909 1.00 10.00 H new ATOM 0 HZ3 LYS A 76 8.907 -7.345 11.157 1.00 10.00 H new ATOM 1142 N ALA A 77 3.341 -2.839 7.416 1.00 10.00 N ATOM 1143 CA ALA A 77 2.089 -2.582 8.122 1.00 10.00 C ATOM 1144 C ALA A 77 0.917 -2.310 7.173 1.00 10.00 C ATOM 1145 O ALA A 77 -0.127 -2.947 7.275 1.00 10.00 O ATOM 1146 CB ALA A 77 2.276 -1.402 9.081 1.00 10.00 C ATOM 0 H ALA A 77 3.408 -2.349 6.524 1.00 10.00 H new ATOM 0 HA ALA A 77 1.838 -3.484 8.680 1.00 10.00 H new ATOM 0 HB1 ALA A 77 1.341 -1.210 9.608 1.00 10.00 H new ATOM 0 HB2 ALA A 77 3.057 -1.640 9.803 1.00 10.00 H new ATOM 0 HB3 ALA A 77 2.562 -0.515 8.515 1.00 10.00 H new ATOM 1152 N LYS A 78 1.086 -1.319 6.295 1.00 10.00 N ATOM 1153 CA LYS A 78 0.057 -0.768 5.412 1.00 10.00 C ATOM 1154 C LYS A 78 0.633 -0.339 4.043 1.00 10.00 C ATOM 1155 O LYS A 78 0.148 0.654 3.455 1.00 10.00 O ATOM 1156 CB LYS A 78 -0.690 0.344 6.174 1.00 10.00 C ATOM 1157 CG LYS A 78 -0.004 1.716 6.183 1.00 10.00 C ATOM 1158 CD LYS A 78 -0.824 2.774 5.434 1.00 10.00 C ATOM 1159 CE LYS A 78 -1.963 3.320 6.296 1.00 10.00 C ATOM 1160 NZ LYS A 78 -1.451 4.323 7.249 1.00 10.00 N ATOM 1161 OXT LYS A 78 1.570 -1.026 3.598 1.00 10.00 O ATOM 0 H LYS A 78 1.988 -0.857 6.175 1.00 10.00 H new ATOM 0 HA LYS A 78 -0.671 -1.535 5.150 1.00 10.00 H new ATOM 0 HB2 LYS A 78 -1.682 0.456 5.737 1.00 10.00 H new ATOM 0 HB3 LYS A 78 -0.831 0.021 7.206 1.00 10.00 H new ATOM 0 HG2 LYS A 78 0.149 2.038 7.213 1.00 10.00 H new ATOM 0 HG3 LYS A 78 0.982 1.631 5.726 1.00 10.00 H new ATOM 0 HD2 LYS A 78 -0.172 3.593 5.131 1.00 10.00 H new ATOM 0 HD3 LYS A 78 -1.234 2.339 4.522 1.00 10.00 H new ATOM 0 HE2 LYS A 78 -2.726 3.769 5.660 1.00 10.00 H new ATOM 0 HE3 LYS A 78 -2.440 2.504 6.838 1.00 10.00 H new ATOM 0 HZ1 LYS A 78 -2.170 5.059 7.398 1.00 10.00 H new ATOM 0 HZ2 LYS A 78 -1.234 3.862 8.156 1.00 10.00 H new ATOM 0 HZ3 LYS A 78 -0.587 4.756 6.866 1.00 10.00 H new TER 1175 LYS A 78 HETATM 1176 FE HEC A 90 -3.519 3.728 -0.370 1.00 10.00 FE HETATM 1177 CHA HEC A 90 -5.087 4.200 2.701 1.00 10.00 C HETATM 1178 CHB HEC A 90 -1.926 0.883 0.819 1.00 10.00 C HETATM 1179 CHC HEC A 90 -2.340 3.129 -3.548 1.00 10.00 C HETATM 1180 CHD HEC A 90 -4.949 6.747 -1.486 1.00 10.00 C HETATM 1181 NA HEC A 90 -3.520 2.718 1.421 1.00 10.00 N HETATM 1182 C1A HEC A 90 -4.271 3.069 2.507 1.00 10.00 C HETATM 1183 C2A HEC A 90 -4.100 2.020 3.482 1.00 10.00 C HETATM 1184 C3A HEC A 90 -3.220 1.099 2.953 1.00 10.00 C HETATM 1185 C4A HEC A 90 -2.819 1.569 1.658 1.00 10.00 C HETATM 1186 CMA HEC A 90 -2.926 -0.286 3.442 1.00 10.00 C HETATM 1187 CAA HEC A 90 -4.797 1.974 4.818 1.00 10.00 C HETATM 1188 CBA HEC A 90 -6.279 1.600 4.714 1.00 10.00 C HETATM 1189 CGA HEC A 90 -7.048 2.187 5.885 1.00 10.00 C HETATM 1190 O1A HEC A 90 -7.242 3.421 5.846 1.00 10.00 O HETATM 1191 O2A HEC A 90 -7.382 1.407 6.801 1.00 10.00 O HETATM 1192 NB HEC A 90 -2.357 2.267 -1.212 1.00 10.00 N HETATM 1193 C1B HEC A 90 -1.757 1.245 -0.521 1.00 10.00 C HETATM 1194 C2B HEC A 90 -0.876 0.565 -1.433 1.00 10.00 C HETATM 1195 C3B HEC A 90 -1.048 1.143 -2.676 1.00 10.00 C HETATM 1196 C4B HEC A 90 -1.973 2.246 -2.520 1.00 10.00 C HETATM 1197 CMB HEC A 90 0.066 -0.563 -1.053 1.00 10.00 C HETATM 1198 CAB HEC A 90 -0.287 0.791 -3.936 1.00 10.00 C HETATM 1199 CBB HEC A 90 -0.535 -0.642 -4.410 1.00 10.00 C HETATM 1200 NC HEC A 90 -3.632 4.756 -2.203 1.00 10.00 N HETATM 1201 C1C HEC A 90 -3.098 4.293 -3.365 1.00 10.00 C HETATM 1202 C2C HEC A 90 -3.426 5.247 -4.406 1.00 10.00 C HETATM 1203 C3C HEC A 90 -4.160 6.265 -3.818 1.00 10.00 C HETATM 1204 C4C HEC A 90 -4.272 5.946 -2.412 1.00 10.00 C HETATM 1205 CMC HEC A 90 -3.004 5.153 -5.859 1.00 10.00 C HETATM 1206 CAC HEC A 90 -4.778 7.504 -4.466 1.00 10.00 C HETATM 1207 CBC HEC A 90 -4.917 7.505 -5.991 1.00 10.00 C HETATM 1208 ND HEC A 90 -4.701 5.298 0.514 1.00 10.00 N HETATM 1209 C1D HEC A 90 -5.146 6.398 -0.148 1.00 10.00 C HETATM 1210 C2D HEC A 90 -5.937 7.164 0.783 1.00 10.00 C HETATM 1211 C3D HEC A 90 -6.071 6.412 1.934 1.00 10.00 C HETATM 1212 C4D HEC A 90 -5.231 5.240 1.768 1.00 10.00 C HETATM 1213 CMD HEC A 90 -6.544 8.521 0.507 1.00 10.00 C HETATM 1214 CAD HEC A 90 -7.085 6.642 3.043 1.00 10.00 C HETATM 1215 CBD HEC A 90 -7.023 8.009 3.752 1.00 10.00 C HETATM 1216 CGD HEC A 90 -8.205 8.941 3.468 1.00 10.00 C HETATM 1217 O1D HEC A 90 -8.265 9.980 4.158 1.00 10.00 O HETATM 1218 O2D HEC A 90 -9.022 8.612 2.579 1.00 10.00 O HETATM 0 HMD3 HEC A 90 -5.753 9.233 0.272 1.00 10.00 H new HETATM 0 HMD2 HEC A 90 -7.229 8.448 -0.338 1.00 10.00 H new HETATM 0 HMD1 HEC A 90 -7.088 8.862 1.388 1.00 10.00 H new HETATM 0 HMC3 HEC A 90 -1.916 5.148 -5.922 1.00 10.00 H new HETATM 0 HMC2 HEC A 90 -3.397 4.234 -6.293 1.00 10.00 H new HETATM 0 HMC1 HEC A 90 -3.395 6.010 -6.408 1.00 10.00 H new HETATM 0 HMB3 HEC A 90 0.770 -0.211 -0.299 1.00 10.00 H new HETATM 0 HMB2 HEC A 90 -0.509 -1.397 -0.650 1.00 10.00 H new HETATM 0 HMB1 HEC A 90 0.614 -0.893 -1.936 1.00 10.00 H new HETATM 0 HMA3 HEC A 90 -2.544 -0.238 4.462 1.00 10.00 H new HETATM 0 HMA2 HEC A 90 -3.840 -0.880 3.424 1.00 10.00 H new HETATM 0 HMA1 HEC A 90 -2.180 -0.749 2.797 1.00 10.00 H new HETATM 0 HBD2 HEC A 90 -6.963 7.841 4.827 1.00 10.00 H new HETATM 0 HBD1 HEC A 90 -6.103 8.513 3.456 1.00 10.00 H new HETATM 0 HBC3 HEC A 90 -3.932 7.401 -6.446 1.00 10.00 H new HETATM 0 HBC2 HEC A 90 -5.549 6.672 -6.299 1.00 10.00 H new HETATM 0 HBC1 HEC A 90 -5.369 8.442 -6.314 1.00 10.00 H new HETATM 0 HBB3 HEC A 90 -0.225 -1.341 -3.633 1.00 10.00 H new HETATM 0 HBB2 HEC A 90 -1.596 -0.778 -4.618 1.00 10.00 H new HETATM 0 HBB1 HEC A 90 0.040 -0.830 -5.317 1.00 10.00 H new HETATM 0 HBA2 HEC A 90 -6.691 1.971 3.776 1.00 10.00 H new HETATM 0 HBA1 HEC A 90 -6.389 0.516 4.704 1.00 10.00 H new HETATM 0 HAD2 HEC A 90 -8.084 6.519 2.624 1.00 10.00 H new HETATM 0 HAD1 HEC A 90 -6.955 5.862 3.793 1.00 10.00 H new HETATM 0 HAA2 HEC A 90 -4.291 1.252 5.460 1.00 10.00 H new HETATM 0 HAA1 HEC A 90 -4.708 2.947 5.301 1.00 10.00 H new HETATM 0 HHD HEC A 90 -5.347 7.702 -1.830 1.00 10.00 H new HETATM 0 HHC HEC A 90 -2.012 2.892 -4.560 1.00 10.00 H new HETATM 0 HHB HEC A 90 -1.351 0.049 1.222 1.00 10.00 H new HETATM 0 HHA HEC A 90 -5.643 4.273 3.636 1.00 10.00 H new HETATM 0 H2D HEC A 90 -9.834 9.154 2.665 1.00 10.00 H new HETATM 0 H2A HEC A 90 -7.832 1.910 7.512 1.00 10.00 H new