USER MOD reduce.3.24.130724 H: found=0, std=0, add=570, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 572 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 59 LYS NZ :NH3+ -164:sc= -1.65! (180deg=-2.19!) USER MOD Set 1.2: A 62 GLN : amide:sc= -0.624 X(o=-2.3,f=-2.4) USER MOD Set 2.1: A 8 LYS NZ :NH3+ -163:sc= -0.017 (180deg=-0.428) USER MOD Set 2.2: A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 4 SER OG : rot 180:sc= 0.678 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0.00402 USER MOD Single : A 7 GLN : amide:sc= -0.294 X(o=-0.29,f=-0.29) USER MOD Single : A 14 THR OG1 : rot 92:sc= 1.23 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot -20:sc= 0.109 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 ASN : amide:sc= -0.531! K(o=-0.53!,f=-1.6) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 TYR OH : rot 180:sc= -1.45 USER MOD Single : A 33 GLN : amide:sc=-0.00306 K(o=-0.0031,f=-1.3) USER MOD Single : A 34 HIS : no HE2:sc=-0.00384 X(o=-0.0038,f=-0.11) USER MOD Single : A 41 HIS : no HD1:sc= 0 X(o=0,f=-0.00025) USER MOD Single : A 44 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.03) USER MOD Single : A 53 LYS NZ :NH3+ -169:sc= -0.225 (180deg=-0.391) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 60 CYS SG : rot 67:sc= -4.09! USER MOD Single : A 63 TYR OH : rot 16:sc= -0.554 USER MOD Single : A 69 LYS NZ :NH3+ -150:sc= -0.0912 (180deg=-1.38) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 TYR OH : rot -19:sc= -2.56! USER MOD ----------------------------------------------------------------- ATOM 15 N SER A 4 15.864 -8.708 -0.734 1.00 1.00 N ATOM 16 CA SER A 4 16.045 -7.587 0.180 1.00 1.00 C ATOM 17 C SER A 4 14.696 -7.055 0.641 1.00 1.00 C ATOM 18 O SER A 4 13.663 -7.318 0.022 1.00 1.00 O ATOM 19 CB SER A 4 16.827 -6.467 -0.509 1.00 1.00 C ATOM 20 OG SER A 4 15.935 -5.681 -1.286 1.00 1.00 O ATOM 0 HA SER A 4 16.605 -7.937 1.047 1.00 1.00 H new ATOM 0 HB2 SER A 4 17.325 -5.845 0.235 1.00 1.00 H new ATOM 0 HB3 SER A 4 17.606 -6.889 -1.144 1.00 1.00 H new ATOM 0 HG SER A 4 16.433 -4.962 -1.728 1.00 1.00 H new ATOM 26 N THR A 5 14.712 -6.304 1.734 1.00 1.00 N ATOM 27 CA THR A 5 13.487 -5.741 2.274 1.00 1.00 C ATOM 28 C THR A 5 12.848 -4.814 1.255 1.00 1.00 C ATOM 29 O THR A 5 11.629 -4.814 1.082 1.00 1.00 O ATOM 30 CB THR A 5 13.783 -4.956 3.557 1.00 1.00 C ATOM 31 OG1 THR A 5 14.646 -5.717 4.389 1.00 1.00 O ATOM 32 CG2 THR A 5 12.483 -4.678 4.311 1.00 1.00 C ATOM 0 H THR A 5 15.555 -6.073 2.260 1.00 1.00 H new ATOM 0 HA THR A 5 12.803 -6.558 2.503 1.00 1.00 H new ATOM 0 HB THR A 5 14.258 -4.011 3.293 1.00 1.00 H new ATOM 0 HG1 THR A 5 14.837 -5.215 5.209 1.00 1.00 H new ATOM 0 HG21 THR A 5 12.703 -4.120 5.221 1.00 1.00 H new ATOM 0 HG22 THR A 5 11.814 -4.094 3.679 1.00 1.00 H new ATOM 0 HG23 THR A 5 12.004 -5.622 4.571 1.00 1.00 H new ATOM 40 N LEU A 6 13.669 -4.011 0.590 1.00 1.00 N ATOM 41 CA LEU A 6 13.154 -3.074 -0.394 1.00 1.00 C ATOM 42 C LEU A 6 12.544 -3.811 -1.587 1.00 1.00 C ATOM 43 O LEU A 6 11.473 -3.462 -2.082 1.00 1.00 O ATOM 44 CB LEU A 6 14.304 -2.167 -0.882 1.00 1.00 C ATOM 45 CG LEU A 6 13.762 -0.774 -1.264 1.00 1.00 C ATOM 46 CD1 LEU A 6 12.629 -0.927 -2.287 1.00 1.00 C ATOM 47 CD2 LEU A 6 13.248 -0.031 0.001 1.00 1.00 C ATOM 0 H LEU A 6 14.681 -3.991 0.713 1.00 1.00 H new ATOM 0 HA LEU A 6 12.374 -2.473 0.073 1.00 1.00 H new ATOM 0 HB2 LEU A 6 15.057 -2.070 -0.100 1.00 1.00 H new ATOM 0 HB3 LEU A 6 14.795 -2.622 -1.742 1.00 1.00 H new ATOM 0 HG LEU A 6 14.566 -0.186 -1.706 1.00 1.00 H new ATOM 0 HD11 LEU A 6 12.247 0.058 -2.556 1.00 1.00 H new ATOM 0 HD12 LEU A 6 13.009 -1.425 -3.179 1.00 1.00 H new ATOM 0 HD13 LEU A 6 11.825 -1.522 -1.854 1.00 1.00 H new ATOM 0 HD21 LEU A 6 12.868 0.951 -0.283 1.00 1.00 H new ATOM 0 HD22 LEU A 6 12.448 -0.610 0.463 1.00 1.00 H new ATOM 0 HD23 LEU A 6 14.067 0.088 0.711 1.00 1.00 H new ATOM 59 N GLN A 7 13.245 -4.827 -2.054 1.00 1.00 N ATOM 60 CA GLN A 7 12.774 -5.576 -3.202 1.00 1.00 C ATOM 61 C GLN A 7 11.414 -6.192 -2.920 1.00 1.00 C ATOM 62 O GLN A 7 10.504 -6.121 -3.748 1.00 1.00 O ATOM 63 CB GLN A 7 13.780 -6.677 -3.557 1.00 1.00 C ATOM 64 CG GLN A 7 13.313 -7.441 -4.806 1.00 1.00 C ATOM 65 CD GLN A 7 13.234 -6.490 -5.995 1.00 1.00 C ATOM 66 OE1 GLN A 7 14.259 -6.006 -6.475 1.00 1.00 O ATOM 67 NE2 GLN A 7 12.065 -6.179 -6.489 1.00 1.00 N ATOM 0 H GLN A 7 14.130 -5.149 -1.662 1.00 1.00 H new ATOM 0 HA GLN A 7 12.677 -4.891 -4.044 1.00 1.00 H new ATOM 0 HB2 GLN A 7 14.762 -6.239 -3.736 1.00 1.00 H new ATOM 0 HB3 GLN A 7 13.887 -7.366 -2.719 1.00 1.00 H new ATOM 0 HG2 GLN A 7 14.004 -8.255 -5.025 1.00 1.00 H new ATOM 0 HG3 GLN A 7 12.337 -7.892 -4.624 1.00 1.00 H new ATOM 0 HE21 GLN A 7 11.218 -6.582 -6.088 1.00 1.00 H new ATOM 0 HE22 GLN A 7 11.999 -5.533 -7.275 1.00 1.00 H new ATOM 76 N LYS A 8 11.280 -6.803 -1.753 1.00 1.00 N ATOM 77 CA LYS A 8 10.026 -7.436 -1.392 1.00 1.00 C ATOM 78 C LYS A 8 8.916 -6.396 -1.277 1.00 1.00 C ATOM 79 O LYS A 8 7.793 -6.622 -1.726 1.00 1.00 O ATOM 80 CB LYS A 8 10.181 -8.182 -0.057 1.00 1.00 C ATOM 81 CG LYS A 8 9.161 -9.325 0.029 1.00 1.00 C ATOM 82 CD LYS A 8 9.431 -10.140 1.281 1.00 1.00 C ATOM 83 CE LYS A 8 8.492 -11.350 1.316 1.00 1.00 C ATOM 84 NZ LYS A 8 7.082 -10.870 1.377 1.00 1.00 N ATOM 0 H LYS A 8 12.015 -6.873 -1.049 1.00 1.00 H new ATOM 0 HA LYS A 8 9.759 -8.147 -2.173 1.00 1.00 H new ATOM 0 HB2 LYS A 8 11.192 -8.579 0.031 1.00 1.00 H new ATOM 0 HB3 LYS A 8 10.036 -7.491 0.774 1.00 1.00 H new ATOM 0 HG2 LYS A 8 8.148 -8.924 0.053 1.00 1.00 H new ATOM 0 HG3 LYS A 8 9.232 -9.959 -0.855 1.00 1.00 H new ATOM 0 HD2 LYS A 8 10.469 -10.472 1.295 1.00 1.00 H new ATOM 0 HD3 LYS A 8 9.281 -9.524 2.168 1.00 1.00 H new ATOM 0 HE2 LYS A 8 8.641 -11.968 0.430 1.00 1.00 H new ATOM 0 HE3 LYS A 8 8.715 -11.974 2.181 1.00 1.00 H new ATOM 0 HZ1 LYS A 8 6.464 -11.647 1.687 1.00 1.00 H new ATOM 0 HZ2 LYS A 8 7.013 -10.082 2.052 1.00 1.00 H new ATOM 0 HZ3 LYS A 8 6.784 -10.546 0.435 1.00 1.00 H new ATOM 98 N ALA A 9 9.235 -5.258 -0.667 1.00 1.00 N ATOM 99 CA ALA A 9 8.248 -4.206 -0.492 1.00 1.00 C ATOM 100 C ALA A 9 7.677 -3.793 -1.848 1.00 1.00 C ATOM 101 O ALA A 9 6.460 -3.633 -2.006 1.00 1.00 O ATOM 102 CB ALA A 9 8.904 -2.997 0.203 1.00 1.00 C ATOM 0 H ALA A 9 10.159 -5.045 -0.291 1.00 1.00 H new ATOM 0 HA ALA A 9 7.432 -4.575 0.129 1.00 1.00 H new ATOM 0 HB1 ALA A 9 8.164 -2.207 0.335 1.00 1.00 H new ATOM 0 HB2 ALA A 9 9.287 -3.301 1.177 1.00 1.00 H new ATOM 0 HB3 ALA A 9 9.725 -2.626 -0.410 1.00 1.00 H new ATOM 108 N ILE A 10 8.572 -3.639 -2.821 1.00 1.00 N ATOM 109 CA ILE A 10 8.170 -3.248 -4.171 1.00 1.00 C ATOM 110 C ILE A 10 7.281 -4.320 -4.790 1.00 1.00 C ATOM 111 O ILE A 10 6.296 -4.026 -5.467 1.00 1.00 O ATOM 112 CB ILE A 10 9.393 -3.009 -5.060 1.00 1.00 C ATOM 113 CG1 ILE A 10 10.135 -1.769 -4.566 1.00 1.00 C ATOM 114 CG2 ILE A 10 8.931 -2.773 -6.504 1.00 1.00 C ATOM 115 CD1 ILE A 10 11.490 -1.685 -5.268 1.00 1.00 C ATOM 0 H ILE A 10 9.575 -3.778 -2.702 1.00 1.00 H new ATOM 0 HA ILE A 10 7.609 -2.316 -4.098 1.00 1.00 H new ATOM 0 HB ILE A 10 10.051 -3.877 -5.020 1.00 1.00 H new ATOM 0 HG12 ILE A 10 9.549 -0.873 -4.771 1.00 1.00 H new ATOM 0 HG13 ILE A 10 10.273 -1.819 -3.486 1.00 1.00 H new ATOM 0 HG21 ILE A 10 9.799 -2.602 -7.141 1.00 1.00 H new ATOM 0 HG22 ILE A 10 8.387 -3.648 -6.860 1.00 1.00 H new ATOM 0 HG23 ILE A 10 8.278 -1.901 -6.539 1.00 1.00 H new ATOM 0 HD11 ILE A 10 12.026 -0.802 -4.920 1.00 1.00 H new ATOM 0 HD12 ILE A 10 12.074 -2.577 -5.040 1.00 1.00 H new ATOM 0 HD13 ILE A 10 11.338 -1.616 -6.345 1.00 1.00 H new ATOM 127 N ASP A 11 7.659 -5.572 -4.586 1.00 1.00 N ATOM 128 CA ASP A 11 6.899 -6.678 -5.149 1.00 1.00 C ATOM 129 C ASP A 11 5.472 -6.704 -4.601 1.00 1.00 C ATOM 130 O ASP A 11 4.508 -6.911 -5.352 1.00 1.00 O ATOM 131 CB ASP A 11 7.588 -7.995 -4.802 1.00 1.00 C ATOM 132 CG ASP A 11 7.066 -9.117 -5.695 1.00 1.00 C ATOM 133 OD1 ASP A 11 5.978 -8.970 -6.224 1.00 1.00 O ATOM 134 OD2 ASP A 11 7.765 -10.100 -5.833 1.00 1.00 O ATOM 0 H ASP A 11 8.477 -5.846 -4.042 1.00 1.00 H new ATOM 0 HA ASP A 11 6.854 -6.545 -6.230 1.00 1.00 H new ATOM 0 HB2 ASP A 11 8.666 -7.893 -4.927 1.00 1.00 H new ATOM 0 HB3 ASP A 11 7.410 -8.242 -3.755 1.00 1.00 H new ATOM 139 N LEU A 12 5.336 -6.517 -3.288 1.00 1.00 N ATOM 140 CA LEU A 12 4.024 -6.549 -2.652 1.00 1.00 C ATOM 141 C LEU A 12 3.125 -5.423 -3.153 1.00 1.00 C ATOM 142 O LEU A 12 1.952 -5.645 -3.460 1.00 1.00 O ATOM 143 CB LEU A 12 4.198 -6.393 -1.140 1.00 1.00 C ATOM 144 CG LEU A 12 4.979 -7.589 -0.571 1.00 1.00 C ATOM 145 CD1 LEU A 12 5.506 -7.235 0.817 1.00 1.00 C ATOM 146 CD2 LEU A 12 4.079 -8.832 -0.473 1.00 1.00 C ATOM 0 H LEU A 12 6.113 -6.343 -2.651 1.00 1.00 H new ATOM 0 HA LEU A 12 3.555 -7.502 -2.899 1.00 1.00 H new ATOM 0 HB2 LEU A 12 4.727 -5.466 -0.921 1.00 1.00 H new ATOM 0 HB3 LEU A 12 3.222 -6.324 -0.659 1.00 1.00 H new ATOM 0 HG LEU A 12 5.809 -7.813 -1.241 1.00 1.00 H new ATOM 0 HD11 LEU A 12 6.060 -8.081 1.223 1.00 1.00 H new ATOM 0 HD12 LEU A 12 6.165 -6.370 0.746 1.00 1.00 H new ATOM 0 HD13 LEU A 12 4.669 -7.000 1.475 1.00 1.00 H new ATOM 0 HD21 LEU A 12 4.653 -9.666 -0.068 1.00 1.00 H new ATOM 0 HD22 LEU A 12 3.235 -8.619 0.183 1.00 1.00 H new ATOM 0 HD23 LEU A 12 3.710 -9.093 -1.465 1.00 1.00 H new ATOM 158 N VAL A 13 3.674 -4.222 -3.246 1.00 1.00 N ATOM 159 CA VAL A 13 2.886 -3.091 -3.720 1.00 1.00 C ATOM 160 C VAL A 13 2.578 -3.231 -5.208 1.00 1.00 C ATOM 161 O VAL A 13 1.502 -2.850 -5.663 1.00 1.00 O ATOM 162 CB VAL A 13 3.621 -1.788 -3.458 1.00 1.00 C ATOM 163 CG1 VAL A 13 4.946 -1.811 -4.179 1.00 1.00 C ATOM 164 CG2 VAL A 13 2.781 -0.622 -3.938 1.00 1.00 C ATOM 0 H VAL A 13 4.641 -4.005 -3.006 1.00 1.00 H new ATOM 0 HA VAL A 13 1.943 -3.080 -3.173 1.00 1.00 H new ATOM 0 HB VAL A 13 3.798 -1.673 -2.389 1.00 1.00 H new ATOM 0 HG11 VAL A 13 5.477 -0.877 -3.994 1.00 1.00 H new ATOM 0 HG12 VAL A 13 5.544 -2.647 -3.815 1.00 1.00 H new ATOM 0 HG13 VAL A 13 4.776 -1.925 -5.250 1.00 1.00 H new ATOM 0 HG21 VAL A 13 3.312 0.311 -3.748 1.00 1.00 H new ATOM 0 HG22 VAL A 13 2.595 -0.723 -5.007 1.00 1.00 H new ATOM 0 HG23 VAL A 13 1.831 -0.614 -3.404 1.00 1.00 H new ATOM 174 N THR A 14 3.523 -3.782 -5.969 1.00 1.00 N ATOM 175 CA THR A 14 3.317 -3.952 -7.400 1.00 1.00 C ATOM 176 C THR A 14 2.053 -4.781 -7.636 1.00 1.00 C ATOM 177 O THR A 14 1.143 -4.395 -8.393 1.00 1.00 O ATOM 178 CB THR A 14 4.544 -4.662 -8.002 1.00 1.00 C ATOM 179 OG1 THR A 14 5.649 -3.765 -8.038 1.00 1.00 O ATOM 180 CG2 THR A 14 4.237 -5.154 -9.419 1.00 1.00 C ATOM 0 H THR A 14 4.424 -4.112 -5.623 1.00 1.00 H new ATOM 0 HA THR A 14 3.194 -2.981 -7.880 1.00 1.00 H new ATOM 0 HB THR A 14 4.791 -5.521 -7.377 1.00 1.00 H new ATOM 0 HG1 THR A 14 6.176 -3.862 -7.218 1.00 1.00 H new ATOM 0 HG21 THR A 14 5.115 -5.653 -9.829 1.00 1.00 H new ATOM 0 HG22 THR A 14 3.403 -5.855 -9.388 1.00 1.00 H new ATOM 0 HG23 THR A 14 3.975 -4.305 -10.050 1.00 1.00 H new ATOM 188 N LYS A 15 1.972 -5.910 -6.963 1.00 1.00 N ATOM 189 CA LYS A 15 0.796 -6.744 -7.106 1.00 1.00 C ATOM 190 C LYS A 15 -0.420 -5.990 -6.591 1.00 1.00 C ATOM 191 O LYS A 15 -1.491 -6.046 -7.176 1.00 1.00 O ATOM 192 CB LYS A 15 0.983 -8.047 -6.343 1.00 1.00 C ATOM 193 CG LYS A 15 -0.207 -8.993 -6.597 1.00 1.00 C ATOM 194 CD LYS A 15 0.207 -10.420 -6.260 1.00 1.00 C ATOM 195 CE LYS A 15 0.893 -10.470 -4.891 1.00 1.00 C ATOM 196 NZ LYS A 15 0.843 -11.850 -4.356 1.00 1.00 N ATOM 0 H LYS A 15 2.686 -6.265 -6.327 1.00 1.00 H new ATOM 0 HA LYS A 15 0.645 -6.985 -8.158 1.00 1.00 H new ATOM 0 HB2 LYS A 15 1.911 -8.528 -6.653 1.00 1.00 H new ATOM 0 HB3 LYS A 15 1.072 -7.842 -5.276 1.00 1.00 H new ATOM 0 HG2 LYS A 15 -1.060 -8.695 -5.987 1.00 1.00 H new ATOM 0 HG3 LYS A 15 -0.522 -8.929 -7.639 1.00 1.00 H new ATOM 0 HD2 LYS A 15 -0.669 -11.068 -6.258 1.00 1.00 H new ATOM 0 HD3 LYS A 15 0.883 -10.800 -7.026 1.00 1.00 H new ATOM 0 HE2 LYS A 15 1.929 -10.142 -4.981 1.00 1.00 H new ATOM 0 HE3 LYS A 15 0.400 -9.785 -4.202 1.00 1.00 H new ATOM 0 HZ1 LYS A 15 1.310 -11.879 -3.427 1.00 1.00 H new ATOM 0 HZ2 LYS A 15 -0.148 -12.147 -4.255 1.00 1.00 H new ATOM 0 HZ3 LYS A 15 1.333 -12.494 -5.010 1.00 1.00 H new ATOM 210 N ALA A 16 -0.254 -5.277 -5.493 1.00 1.00 N ATOM 211 CA ALA A 16 -1.365 -4.531 -4.933 1.00 1.00 C ATOM 212 C ALA A 16 -2.009 -3.633 -5.987 1.00 1.00 C ATOM 213 O ALA A 16 -3.234 -3.531 -6.063 1.00 1.00 O ATOM 214 CB ALA A 16 -0.870 -3.661 -3.776 1.00 1.00 C ATOM 0 H ALA A 16 0.623 -5.199 -4.979 1.00 1.00 H new ATOM 0 HA ALA A 16 -2.107 -5.245 -4.577 1.00 1.00 H new ATOM 0 HB1 ALA A 16 -1.707 -3.102 -3.357 1.00 1.00 H new ATOM 0 HB2 ALA A 16 -0.435 -4.296 -3.004 1.00 1.00 H new ATOM 0 HB3 ALA A 16 -0.115 -2.965 -4.141 1.00 1.00 H new ATOM 220 N THR A 17 -1.179 -2.977 -6.788 1.00 1.00 N ATOM 221 CA THR A 17 -1.684 -2.081 -7.813 1.00 1.00 C ATOM 222 C THR A 17 -2.452 -2.864 -8.865 1.00 1.00 C ATOM 223 O THR A 17 -3.482 -2.406 -9.369 1.00 1.00 O ATOM 224 CB THR A 17 -0.517 -1.320 -8.468 1.00 1.00 C ATOM 225 OG1 THR A 17 0.440 -2.254 -8.950 1.00 1.00 O ATOM 226 CG2 THR A 17 0.170 -0.397 -7.446 1.00 1.00 C ATOM 0 H THR A 17 -0.162 -3.049 -6.747 1.00 1.00 H new ATOM 0 HA THR A 17 -2.360 -1.363 -7.349 1.00 1.00 H new ATOM 0 HB THR A 17 -0.912 -0.718 -9.287 1.00 1.00 H new ATOM 0 HG1 THR A 17 0.322 -3.111 -8.489 1.00 1.00 H new ATOM 0 HG21 THR A 17 0.992 0.132 -7.928 1.00 1.00 H new ATOM 0 HG22 THR A 17 -0.552 0.325 -7.065 1.00 1.00 H new ATOM 0 HG23 THR A 17 0.557 -0.993 -6.620 1.00 1.00 H new ATOM 234 N GLU A 18 -1.969 -4.055 -9.176 1.00 1.00 N ATOM 235 CA GLU A 18 -2.659 -4.882 -10.160 1.00 1.00 C ATOM 236 C GLU A 18 -4.043 -5.278 -9.621 1.00 1.00 C ATOM 237 O GLU A 18 -5.033 -5.319 -10.350 1.00 1.00 O ATOM 238 CB GLU A 18 -1.792 -6.132 -10.500 1.00 1.00 C ATOM 239 CG GLU A 18 -2.338 -7.401 -9.831 1.00 1.00 C ATOM 240 CD GLU A 18 -1.418 -8.585 -10.070 1.00 1.00 C ATOM 241 OE1 GLU A 18 -0.334 -8.377 -10.590 1.00 1.00 O ATOM 242 OE2 GLU A 18 -1.811 -9.686 -9.731 1.00 1.00 O ATOM 0 H GLU A 18 -1.125 -4.466 -8.776 1.00 1.00 H new ATOM 0 HA GLU A 18 -2.806 -4.319 -11.082 1.00 1.00 H new ATOM 0 HB2 GLU A 18 -1.765 -6.273 -11.580 1.00 1.00 H new ATOM 0 HB3 GLU A 18 -0.766 -5.962 -10.175 1.00 1.00 H new ATOM 0 HG2 GLU A 18 -2.448 -7.232 -8.760 1.00 1.00 H new ATOM 0 HG3 GLU A 18 -3.331 -7.623 -10.222 1.00 1.00 H new ATOM 249 N GLU A 19 -4.095 -5.577 -8.328 1.00 1.00 N ATOM 250 CA GLU A 19 -5.336 -5.981 -7.701 1.00 1.00 C ATOM 251 C GLU A 19 -6.298 -4.811 -7.629 1.00 1.00 C ATOM 252 O GLU A 19 -7.492 -4.948 -7.904 1.00 1.00 O ATOM 253 CB GLU A 19 -5.057 -6.525 -6.289 1.00 1.00 C ATOM 254 CG GLU A 19 -4.370 -7.899 -6.362 1.00 1.00 C ATOM 255 CD GLU A 19 -5.318 -8.933 -6.966 1.00 1.00 C ATOM 256 OE1 GLU A 19 -6.430 -9.047 -6.476 1.00 1.00 O ATOM 257 OE2 GLU A 19 -4.917 -9.600 -7.907 1.00 1.00 O ATOM 0 H GLU A 19 -3.292 -5.546 -7.700 1.00 1.00 H new ATOM 0 HA GLU A 19 -5.792 -6.768 -8.302 1.00 1.00 H new ATOM 0 HB2 GLU A 19 -4.425 -5.825 -5.743 1.00 1.00 H new ATOM 0 HB3 GLU A 19 -5.992 -6.609 -5.735 1.00 1.00 H new ATOM 0 HG2 GLU A 19 -3.465 -7.829 -6.965 1.00 1.00 H new ATOM 0 HG3 GLU A 19 -4.065 -8.214 -5.364 1.00 1.00 H new ATOM 264 N ASP A 20 -5.766 -3.653 -7.273 1.00 1.00 N ATOM 265 CA ASP A 20 -6.583 -2.457 -7.175 1.00 1.00 C ATOM 266 C ASP A 20 -7.284 -2.205 -8.501 1.00 1.00 C ATOM 267 O ASP A 20 -8.480 -1.918 -8.537 1.00 1.00 O ATOM 268 CB ASP A 20 -5.705 -1.255 -6.814 1.00 1.00 C ATOM 269 CG ASP A 20 -6.582 -0.066 -6.436 1.00 1.00 C ATOM 270 OD1 ASP A 20 -7.764 -0.109 -6.733 1.00 1.00 O ATOM 271 OD2 ASP A 20 -6.059 0.870 -5.854 1.00 1.00 O ATOM 0 H ASP A 20 -4.780 -3.517 -7.049 1.00 1.00 H new ATOM 0 HA ASP A 20 -7.331 -2.597 -6.395 1.00 1.00 H new ATOM 0 HB2 ASP A 20 -5.047 -1.511 -5.984 1.00 1.00 H new ATOM 0 HB3 ASP A 20 -5.067 -0.993 -7.658 1.00 1.00 H new ATOM 276 N LYS A 21 -6.539 -2.334 -9.591 1.00 1.00 N ATOM 277 CA LYS A 21 -7.114 -2.138 -10.910 1.00 1.00 C ATOM 278 C LYS A 21 -8.117 -3.239 -11.220 1.00 1.00 C ATOM 279 O LYS A 21 -9.148 -2.997 -11.840 1.00 1.00 O ATOM 280 CB LYS A 21 -6.012 -2.111 -11.980 1.00 1.00 C ATOM 281 CG LYS A 21 -5.285 -0.758 -11.930 1.00 1.00 C ATOM 282 CD LYS A 21 -4.172 -0.717 -13.000 1.00 1.00 C ATOM 283 CE LYS A 21 -2.864 -1.236 -12.410 1.00 1.00 C ATOM 284 NZ LYS A 21 -1.869 -1.436 -13.490 1.00 1.00 N ATOM 0 H LYS A 21 -5.547 -2.571 -9.587 1.00 1.00 H new ATOM 0 HA LYS A 21 -7.632 -1.179 -10.919 1.00 1.00 H new ATOM 0 HB2 LYS A 21 -5.305 -2.923 -11.810 1.00 1.00 H new ATOM 0 HB3 LYS A 21 -6.445 -2.267 -12.968 1.00 1.00 H new ATOM 0 HG2 LYS A 21 -5.994 0.052 -12.100 1.00 1.00 H new ATOM 0 HG3 LYS A 21 -4.855 -0.603 -10.940 1.00 1.00 H new ATOM 0 HD2 LYS A 21 -4.459 -1.323 -13.859 1.00 1.00 H new ATOM 0 HD3 LYS A 21 -4.039 0.303 -13.360 1.00 1.00 H new ATOM 0 HE2 LYS A 21 -2.480 -0.528 -11.676 1.00 1.00 H new ATOM 0 HE3 LYS A 21 -3.039 -2.176 -11.886 1.00 1.00 H new ATOM 0 HZ1 LYS A 21 -0.980 -1.790 -13.082 1.00 1.00 H new ATOM 0 HZ2 LYS A 21 -2.235 -2.128 -14.175 1.00 1.00 H new ATOM 0 HZ3 LYS A 21 -1.693 -0.531 -13.972 1.00 1.00 H new ATOM 298 N ALA A 22 -7.805 -4.450 -10.760 1.00 1.00 N ATOM 299 CA ALA A 22 -8.684 -5.585 -11.000 1.00 1.00 C ATOM 300 C ALA A 22 -9.920 -5.491 -10.120 1.00 1.00 C ATOM 301 O ALA A 22 -10.680 -6.445 -10.030 1.00 1.00 O ATOM 302 CB ALA A 22 -7.954 -6.892 -10.700 1.00 1.00 C ATOM 0 H ALA A 22 -6.962 -4.665 -10.227 1.00 1.00 H new ATOM 0 HA ALA A 22 -8.984 -5.569 -12.048 1.00 1.00 H new ATOM 0 HB1 ALA A 22 -8.623 -7.733 -10.884 1.00 1.00 H new ATOM 0 HB2 ALA A 22 -7.079 -6.977 -11.345 1.00 1.00 H new ATOM 0 HB3 ALA A 22 -7.638 -6.901 -9.657 1.00 1.00 H new ATOM 308 N LYS A 23 -10.090 -4.332 -9.486 1.00 1.00 N ATOM 309 CA LYS A 23 -11.230 -4.092 -8.606 1.00 1.00 C ATOM 310 C LYS A 23 -11.140 -4.953 -7.355 1.00 1.00 C ATOM 311 O LYS A 23 -12.140 -5.188 -6.675 1.00 1.00 O ATOM 312 CB LYS A 23 -12.540 -4.392 -9.344 1.00 1.00 C ATOM 313 CG LYS A 23 -12.540 -3.683 -10.700 1.00 1.00 C ATOM 314 CD LYS A 23 -12.480 -2.169 -10.490 1.00 1.00 C ATOM 315 CE LYS A 23 -12.870 -1.461 -11.790 1.00 1.00 C ATOM 316 NZ LYS A 23 -12.840 0.011 -11.570 1.00 1.00 N ATOM 0 H LYS A 23 -9.449 -3.542 -9.567 1.00 1.00 H new ATOM 0 HA LYS A 23 -11.214 -3.043 -8.310 1.00 1.00 H new ATOM 0 HB2 LYS A 23 -12.652 -5.467 -9.485 1.00 1.00 H new ATOM 0 HB3 LYS A 23 -13.389 -4.058 -8.748 1.00 1.00 H new ATOM 0 HG2 LYS A 23 -11.687 -4.012 -11.293 1.00 1.00 H new ATOM 0 HG3 LYS A 23 -13.438 -3.947 -11.259 1.00 1.00 H new ATOM 0 HD2 LYS A 23 -13.155 -1.875 -9.686 1.00 1.00 H new ATOM 0 HD3 LYS A 23 -11.476 -1.872 -10.188 1.00 1.00 H new ATOM 0 HE2 LYS A 23 -12.182 -1.736 -12.589 1.00 1.00 H new ATOM 0 HE3 LYS A 23 -13.865 -1.774 -12.105 1.00 1.00 H new ATOM 0 HZ1 LYS A 23 -13.104 0.499 -12.450 1.00 1.00 H new ATOM 0 HZ2 LYS A 23 -13.513 0.263 -10.819 1.00 1.00 H new ATOM 0 HZ3 LYS A 23 -11.882 0.300 -11.288 1.00 1.00 H new ATOM 330 N ASN A 24 -9.935 -5.414 -7.048 1.00 1.00 N ATOM 331 CA ASN A 24 -9.716 -6.245 -5.868 1.00 1.00 C ATOM 332 C ASN A 24 -9.262 -5.379 -4.690 1.00 1.00 C ATOM 333 O ASN A 24 -8.122 -5.452 -4.250 1.00 1.00 O ATOM 334 CB ASN A 24 -8.663 -7.333 -6.188 1.00 1.00 C ATOM 335 CG ASN A 24 -9.329 -8.660 -6.536 1.00 1.00 C ATOM 336 OD1 ASN A 24 -10.400 -8.685 -7.141 1.00 1.00 O ATOM 337 ND2 ASN A 24 -8.745 -9.768 -6.168 1.00 1.00 N ATOM 0 H ASN A 24 -9.095 -5.228 -7.597 1.00 1.00 H new ATOM 0 HA ASN A 24 -10.650 -6.733 -5.590 1.00 1.00 H new ATOM 0 HB2 ASN A 24 -8.040 -7.006 -7.021 1.00 1.00 H new ATOM 0 HB3 ASN A 24 -8.004 -7.468 -5.331 1.00 1.00 H new ATOM 0 HD21 ASN A 24 -9.176 -10.667 -6.382 1.00 1.00 H new ATOM 0 HD22 ASN A 24 -7.857 -9.735 -5.667 1.00 1.00 H new ATOM 344 N TYR A 25 -10.160 -4.552 -4.194 1.00 1.00 N ATOM 345 CA TYR A 25 -9.839 -3.677 -3.077 1.00 1.00 C ATOM 346 C TYR A 25 -9.353 -4.494 -1.883 1.00 1.00 C ATOM 347 O TYR A 25 -8.391 -4.119 -1.223 1.00 1.00 O ATOM 348 CB TYR A 25 -11.070 -2.886 -2.670 1.00 1.00 C ATOM 349 CG TYR A 25 -11.830 -2.459 -3.903 1.00 1.00 C ATOM 350 CD1 TYR A 25 -11.160 -1.870 -4.980 1.00 1.00 C ATOM 351 CD2 TYR A 25 -13.220 -2.665 -3.970 1.00 1.00 C ATOM 352 CE1 TYR A 25 -11.870 -1.486 -6.118 1.00 1.00 C ATOM 353 CE2 TYR A 25 -13.930 -2.280 -5.116 1.00 1.00 C ATOM 354 CZ TYR A 25 -13.250 -1.689 -6.190 1.00 1.00 C ATOM 355 OH TYR A 25 -13.950 -1.306 -7.320 1.00 1.00 O ATOM 0 H TYR A 25 -11.115 -4.465 -4.543 1.00 1.00 H new ATOM 0 HA TYR A 25 -9.049 -2.994 -3.390 1.00 1.00 H new ATOM 0 HB2 TYR A 25 -11.709 -3.493 -2.029 1.00 1.00 H new ATOM 0 HB3 TYR A 25 -10.777 -2.011 -2.090 1.00 1.00 H new ATOM 0 HD1 TYR A 25 -10.093 -1.712 -4.931 1.00 1.00 H new ATOM 0 HD2 TYR A 25 -13.740 -3.119 -3.139 1.00 1.00 H new ATOM 0 HE1 TYR A 25 -11.350 -1.030 -6.947 1.00 1.00 H new ATOM 0 HE2 TYR A 25 -14.997 -2.438 -5.171 1.00 1.00 H new ATOM 0 HH TYR A 25 -14.899 -1.520 -7.205 1.00 1.00 H new ATOM 365 N GLU A 26 -10.020 -5.603 -1.602 1.00 1.00 N ATOM 366 CA GLU A 26 -9.626 -6.438 -0.472 1.00 1.00 C ATOM 367 C GLU A 26 -8.203 -6.968 -0.648 1.00 1.00 C ATOM 368 O GLU A 26 -7.348 -6.804 0.234 1.00 1.00 O ATOM 369 CB GLU A 26 -10.590 -7.621 -0.354 1.00 1.00 C ATOM 370 CG GLU A 26 -11.890 -7.158 0.299 1.00 1.00 C ATOM 371 CD GLU A 26 -12.890 -8.309 0.347 1.00 1.00 C ATOM 372 OE1 GLU A 26 -12.540 -9.403 -0.064 1.00 1.00 O ATOM 373 OE2 GLU A 26 -14.010 -8.080 0.794 1.00 1.00 O ATOM 0 H GLU A 26 -10.824 -5.944 -2.129 1.00 1.00 H new ATOM 0 HA GLU A 26 -9.661 -5.829 0.432 1.00 1.00 H new ATOM 0 HB2 GLU A 26 -10.795 -8.036 -1.341 1.00 1.00 H new ATOM 0 HB3 GLU A 26 -10.136 -8.415 0.239 1.00 1.00 H new ATOM 0 HG2 GLU A 26 -11.691 -6.796 1.308 1.00 1.00 H new ATOM 0 HG3 GLU A 26 -12.311 -6.323 -0.262 1.00 1.00 H new ATOM 380 N GLU A 27 -7.947 -7.595 -1.788 1.00 1.00 N ATOM 381 CA GLU A 27 -6.623 -8.142 -2.047 1.00 1.00 C ATOM 382 C GLU A 27 -5.605 -7.001 -2.138 1.00 1.00 C ATOM 383 O GLU A 27 -4.515 -7.054 -1.586 1.00 1.00 O ATOM 384 CB GLU A 27 -6.629 -8.951 -3.364 1.00 1.00 C ATOM 385 CG GLU A 27 -5.649 -10.120 -3.283 1.00 1.00 C ATOM 386 CD GLU A 27 -6.245 -11.250 -2.446 1.00 1.00 C ATOM 387 OE1 GLU A 27 -7.396 -11.130 -2.059 1.00 1.00 O ATOM 388 OE2 GLU A 27 -5.539 -12.210 -2.201 1.00 1.00 O ATOM 0 H GLU A 27 -8.626 -7.736 -2.536 1.00 1.00 H new ATOM 0 HA GLU A 27 -6.346 -8.808 -1.230 1.00 1.00 H new ATOM 0 HB2 GLU A 27 -7.633 -9.325 -3.563 1.00 1.00 H new ATOM 0 HB3 GLU A 27 -6.360 -8.301 -4.197 1.00 1.00 H new ATOM 0 HG2 GLU A 27 -5.420 -10.482 -4.285 1.00 1.00 H new ATOM 0 HG3 GLU A 27 -4.710 -9.787 -2.842 1.00 1.00 H new ATOM 395 N ALA A 28 -5.958 -5.968 -2.865 1.00 1.00 N ATOM 396 CA ALA A 28 -5.051 -4.849 -3.023 1.00 1.00 C ATOM 397 C ALA A 28 -4.724 -4.238 -1.674 1.00 1.00 C ATOM 398 O ALA A 28 -3.570 -3.904 -1.406 1.00 1.00 O ATOM 399 CB ALA A 28 -5.685 -3.792 -3.916 1.00 1.00 C ATOM 0 H ALA A 28 -6.850 -5.875 -3.350 1.00 1.00 H new ATOM 0 HA ALA A 28 -4.131 -5.211 -3.481 1.00 1.00 H new ATOM 0 HB1 ALA A 28 -4.998 -2.953 -4.031 1.00 1.00 H new ATOM 0 HB2 ALA A 28 -5.899 -4.223 -4.894 1.00 1.00 H new ATOM 0 HB3 ALA A 28 -6.613 -3.442 -3.463 1.00 1.00 H new ATOM 405 N LEU A 29 -5.734 -4.081 -0.823 1.00 1.00 N ATOM 406 CA LEU A 29 -5.527 -3.486 0.485 1.00 1.00 C ATOM 407 C LEU A 29 -4.518 -4.253 1.321 1.00 1.00 C ATOM 408 O LEU A 29 -3.610 -3.656 1.901 1.00 1.00 O ATOM 409 CB LEU A 29 -6.870 -3.473 1.240 1.00 1.00 C ATOM 410 CG LEU A 29 -6.676 -3.074 2.718 1.00 1.00 C ATOM 411 CD1 LEU A 29 -6.317 -1.621 2.822 1.00 1.00 C ATOM 412 CD2 LEU A 29 -7.945 -3.354 3.506 1.00 1.00 C ATOM 0 H LEU A 29 -6.696 -4.357 -1.018 1.00 1.00 H new ATOM 0 HA LEU A 29 -5.139 -2.479 0.330 1.00 1.00 H new ATOM 0 HB2 LEU A 29 -7.554 -2.774 0.759 1.00 1.00 H new ATOM 0 HB3 LEU A 29 -7.331 -4.459 1.184 1.00 1.00 H new ATOM 0 HG LEU A 29 -5.862 -3.667 3.135 1.00 1.00 H new ATOM 0 HD11 LEU A 29 -6.183 -1.353 3.870 1.00 1.00 H new ATOM 0 HD12 LEU A 29 -5.390 -1.435 2.279 1.00 1.00 H new ATOM 0 HD13 LEU A 29 -7.116 -1.017 2.393 1.00 1.00 H new ATOM 0 HD21 LEU A 29 -7.797 -3.069 4.548 1.00 1.00 H new ATOM 0 HD22 LEU A 29 -8.769 -2.778 3.086 1.00 1.00 H new ATOM 0 HD23 LEU A 29 -8.180 -4.417 3.451 1.00 1.00 H new ATOM 424 N ARG A 30 -4.695 -5.559 1.424 1.00 1.00 N ATOM 425 CA ARG A 30 -3.792 -6.344 2.249 1.00 1.00 C ATOM 426 C ARG A 30 -2.364 -6.199 1.737 1.00 1.00 C ATOM 427 O ARG A 30 -1.414 -6.081 2.516 1.00 1.00 O ATOM 428 CB ARG A 30 -4.243 -7.810 2.243 1.00 1.00 C ATOM 429 CG ARG A 30 -3.764 -8.495 0.970 1.00 1.00 C ATOM 430 CD ARG A 30 -4.489 -9.819 0.770 1.00 1.00 C ATOM 431 NE ARG A 30 -4.114 -10.750 1.813 1.00 1.00 N ATOM 432 CZ ARG A 30 -4.731 -11.910 1.942 1.00 1.00 C ATOM 433 NH1 ARG A 30 -5.691 -12.230 1.119 1.00 1.00 N ATOM 434 NH2 ARG A 30 -4.380 -12.730 2.891 1.00 1.00 N ATOM 0 H ARG A 30 -5.434 -6.087 0.961 1.00 1.00 H new ATOM 0 HA ARG A 30 -3.817 -5.981 3.277 1.00 1.00 H new ATOM 0 HB2 ARG A 30 -3.844 -8.326 3.116 1.00 1.00 H new ATOM 0 HB3 ARG A 30 -5.330 -7.865 2.309 1.00 1.00 H new ATOM 0 HG2 ARG A 30 -3.939 -7.845 0.113 1.00 1.00 H new ATOM 0 HG3 ARG A 30 -2.689 -8.667 1.025 1.00 1.00 H new ATOM 0 HD2 ARG A 30 -5.567 -9.659 0.784 1.00 1.00 H new ATOM 0 HD3 ARG A 30 -4.241 -10.235 -0.207 1.00 1.00 H new ATOM 0 HE ARG A 30 -3.362 -10.506 2.458 1.00 1.00 H new ATOM 0 HH11 ARG A 30 -5.964 -11.585 0.378 1.00 1.00 H new ATOM 0 HH12 ARG A 30 -6.169 -13.126 1.217 1.00 1.00 H new ATOM 0 HH21 ARG A 30 -3.629 -12.476 3.533 1.00 1.00 H new ATOM 0 HH22 ARG A 30 -4.856 -13.627 2.992 1.00 1.00 H new ATOM 448 N LEU A 31 -2.224 -6.205 0.420 1.00 1.00 N ATOM 449 CA LEU A 31 -0.908 -6.075 -0.181 1.00 1.00 C ATOM 450 C LEU A 31 -0.317 -4.711 0.135 1.00 1.00 C ATOM 451 O LEU A 31 0.879 -4.589 0.399 1.00 1.00 O ATOM 452 CB LEU A 31 -0.987 -6.280 -1.695 1.00 1.00 C ATOM 453 CG LEU A 31 -1.462 -7.707 -1.994 1.00 1.00 C ATOM 454 CD1 LEU A 31 -1.752 -7.839 -3.489 1.00 1.00 C ATOM 455 CD2 LEU A 31 -0.399 -8.737 -1.572 1.00 1.00 C ATOM 0 H LEU A 31 -2.993 -6.297 -0.243 1.00 1.00 H new ATOM 0 HA LEU A 31 -0.259 -6.844 0.239 1.00 1.00 H new ATOM 0 HB2 LEU A 31 -1.674 -5.557 -2.135 1.00 1.00 H new ATOM 0 HB3 LEU A 31 -0.010 -6.108 -2.147 1.00 1.00 H new ATOM 0 HG LEU A 31 -2.370 -7.903 -1.424 1.00 1.00 H new ATOM 0 HD11 LEU A 31 -2.090 -8.852 -3.706 1.00 1.00 H new ATOM 0 HD12 LEU A 31 -2.528 -7.129 -3.773 1.00 1.00 H new ATOM 0 HD13 LEU A 31 -0.844 -7.630 -4.055 1.00 1.00 H new ATOM 0 HD21 LEU A 31 -0.758 -9.742 -1.794 1.00 1.00 H new ATOM 0 HD22 LEU A 31 0.525 -8.552 -2.121 1.00 1.00 H new ATOM 0 HD23 LEU A 31 -0.210 -8.647 -0.502 1.00 1.00 H new ATOM 467 N TYR A 32 -1.157 -3.689 0.096 1.00 1.00 N ATOM 468 CA TYR A 32 -0.697 -2.330 0.366 1.00 1.00 C ATOM 469 C TYR A 32 -0.109 -2.225 1.772 1.00 1.00 C ATOM 470 O TYR A 32 0.980 -1.678 1.970 1.00 1.00 O ATOM 471 CB TYR A 32 -1.874 -1.338 0.226 1.00 1.00 C ATOM 472 CG TYR A 32 -2.010 -0.865 -1.210 1.00 1.00 C ATOM 473 CD1 TYR A 32 -0.956 -0.171 -1.816 1.00 1.00 C ATOM 474 CD2 TYR A 32 -3.182 -1.122 -1.933 1.00 1.00 C ATOM 475 CE1 TYR A 32 -1.071 0.267 -3.138 1.00 1.00 C ATOM 476 CE2 TYR A 32 -3.292 -0.690 -3.257 1.00 1.00 C ATOM 477 CZ TYR A 32 -2.237 0.005 -3.857 1.00 1.00 C ATOM 478 OH TYR A 32 -2.343 0.417 -5.163 1.00 1.00 O ATOM 0 H TYR A 32 -2.151 -3.769 -0.117 1.00 1.00 H new ATOM 0 HA TYR A 32 0.079 -2.083 -0.358 1.00 1.00 H new ATOM 0 HB2 TYR A 32 -2.800 -1.817 0.545 1.00 1.00 H new ATOM 0 HB3 TYR A 32 -1.715 -0.482 0.882 1.00 1.00 H new ATOM 0 HD1 TYR A 32 -0.051 0.026 -1.260 1.00 1.00 H new ATOM 0 HD2 TYR A 32 -3.999 -1.653 -1.468 1.00 1.00 H new ATOM 0 HE1 TYR A 32 -0.259 0.807 -3.602 1.00 1.00 H new ATOM 0 HE2 TYR A 32 -4.192 -0.893 -3.818 1.00 1.00 H new ATOM 0 HH TYR A 32 -3.218 0.155 -5.519 1.00 1.00 H new ATOM 488 N GLN A 33 -0.842 -2.740 2.744 1.00 1.00 N ATOM 489 CA GLN A 33 -0.391 -2.684 4.125 1.00 1.00 C ATOM 490 C GLN A 33 0.912 -3.459 4.298 1.00 1.00 C ATOM 491 O GLN A 33 1.849 -2.993 4.955 1.00 1.00 O ATOM 492 CB GLN A 33 -1.469 -3.276 5.037 1.00 1.00 C ATOM 493 CG GLN A 33 -2.731 -2.412 4.975 1.00 1.00 C ATOM 494 CD GLN A 33 -3.824 -3.024 5.848 1.00 1.00 C ATOM 495 OE1 GLN A 33 -3.812 -4.226 6.110 1.00 1.00 O ATOM 496 NE2 GLN A 33 -4.777 -2.263 6.308 1.00 1.00 N ATOM 0 H GLN A 33 -1.743 -3.197 2.606 1.00 1.00 H new ATOM 0 HA GLN A 33 -0.212 -1.643 4.394 1.00 1.00 H new ATOM 0 HB2 GLN A 33 -1.700 -4.296 4.729 1.00 1.00 H new ATOM 0 HB3 GLN A 33 -1.103 -3.328 6.062 1.00 1.00 H new ATOM 0 HG2 GLN A 33 -2.507 -1.401 5.314 1.00 1.00 H new ATOM 0 HG3 GLN A 33 -3.078 -2.333 3.945 1.00 1.00 H new ATOM 0 HE21 GLN A 33 -4.785 -1.267 6.089 1.00 1.00 H new ATOM 0 HE22 GLN A 33 -5.515 -2.664 6.887 1.00 1.00 H new ATOM 505 N HIS A 34 0.971 -4.643 3.705 1.00 1.00 N ATOM 506 CA HIS A 34 2.168 -5.472 3.811 1.00 1.00 C ATOM 507 C HIS A 34 3.376 -4.751 3.209 1.00 1.00 C ATOM 508 O HIS A 34 4.437 -4.647 3.837 1.00 1.00 O ATOM 509 CB HIS A 34 1.927 -6.810 3.074 1.00 1.00 C ATOM 510 CG HIS A 34 1.360 -7.830 4.025 1.00 1.00 C ATOM 511 ND1 HIS A 34 0.097 -8.375 3.860 1.00 1.00 N ATOM 512 CD2 HIS A 34 1.872 -8.401 5.157 1.00 1.00 C ATOM 513 CE1 HIS A 34 -0.106 -9.236 4.873 1.00 1.00 C ATOM 514 NE2 HIS A 34 0.946 -9.290 5.694 1.00 1.00 N ATOM 0 H HIS A 34 0.216 -5.049 3.152 1.00 1.00 H new ATOM 0 HA HIS A 34 2.376 -5.666 4.863 1.00 1.00 H new ATOM 0 HB2 HIS A 34 1.241 -6.657 2.241 1.00 1.00 H new ATOM 0 HB3 HIS A 34 2.863 -7.176 2.652 1.00 1.00 H new ATOM 0 HD1 HIS A 34 -0.559 -8.162 3.108 1.00 1.00 H new ATOM 0 HD2 HIS A 34 2.847 -8.193 5.572 1.00 1.00 H new ATOM 0 HE1 HIS A 34 -1.009 -9.813 5.006 1.00 1.00 H new ATOM 523 N ALA A 35 3.202 -4.242 2.001 1.00 1.00 N ATOM 524 CA ALA A 35 4.281 -3.542 1.328 1.00 1.00 C ATOM 525 C ALA A 35 4.819 -2.416 2.197 1.00 1.00 C ATOM 526 O ALA A 35 6.032 -2.269 2.350 1.00 1.00 O ATOM 527 CB ALA A 35 3.793 -2.978 -0.008 1.00 1.00 C ATOM 0 H ALA A 35 2.332 -4.300 1.471 1.00 1.00 H new ATOM 0 HA ALA A 35 5.086 -4.254 1.144 1.00 1.00 H new ATOM 0 HB1 ALA A 35 4.611 -2.455 -0.503 1.00 1.00 H new ATOM 0 HB2 ALA A 35 3.447 -3.794 -0.643 1.00 1.00 H new ATOM 0 HB3 ALA A 35 2.973 -2.283 0.169 1.00 1.00 H new ATOM 533 N VAL A 36 3.915 -1.630 2.771 1.00 1.00 N ATOM 534 CA VAL A 36 4.323 -0.519 3.616 1.00 1.00 C ATOM 535 C VAL A 36 5.199 -1.018 4.757 1.00 1.00 C ATOM 536 O VAL A 36 6.230 -0.421 5.069 1.00 1.00 O ATOM 537 CB VAL A 36 3.082 0.206 4.173 1.00 1.00 C ATOM 538 CG1 VAL A 36 3.505 1.136 5.325 1.00 1.00 C ATOM 539 CG2 VAL A 36 2.396 1.023 3.043 1.00 1.00 C ATOM 0 H VAL A 36 2.906 -1.741 2.667 1.00 1.00 H new ATOM 0 HA VAL A 36 4.901 0.184 3.016 1.00 1.00 H new ATOM 0 HB VAL A 36 2.371 -0.528 4.552 1.00 1.00 H new ATOM 0 HG11 VAL A 36 2.628 1.649 5.719 1.00 1.00 H new ATOM 0 HG12 VAL A 36 3.967 0.547 6.117 1.00 1.00 H new ATOM 0 HG13 VAL A 36 4.220 1.871 4.955 1.00 1.00 H new ATOM 0 HG21 VAL A 36 1.520 1.533 3.443 1.00 1.00 H new ATOM 0 HG22 VAL A 36 3.097 1.760 2.650 1.00 1.00 H new ATOM 0 HG23 VAL A 36 2.090 0.350 2.242 1.00 1.00 H new ATOM 549 N GLU A 37 4.784 -2.106 5.381 1.00 1.00 N ATOM 550 CA GLU A 37 5.546 -2.657 6.491 1.00 1.00 C ATOM 551 C GLU A 37 6.988 -2.917 6.069 1.00 1.00 C ATOM 552 O GLU A 37 7.933 -2.527 6.757 1.00 1.00 O ATOM 553 CB GLU A 37 4.907 -3.972 6.951 1.00 1.00 C ATOM 554 CG GLU A 37 5.260 -4.235 8.418 1.00 1.00 C ATOM 555 CD GLU A 37 4.491 -3.272 9.317 1.00 1.00 C ATOM 556 OE1 GLU A 37 3.628 -2.578 8.807 1.00 1.00 O ATOM 557 OE2 GLU A 37 4.781 -3.241 10.502 1.00 1.00 O ATOM 0 H GLU A 37 3.936 -2.621 5.144 1.00 1.00 H new ATOM 0 HA GLU A 37 5.540 -1.938 7.310 1.00 1.00 H new ATOM 0 HB2 GLU A 37 3.825 -3.923 6.831 1.00 1.00 H new ATOM 0 HB3 GLU A 37 5.259 -4.795 6.329 1.00 1.00 H new ATOM 0 HG2 GLU A 37 5.017 -5.265 8.681 1.00 1.00 H new ATOM 0 HG3 GLU A 37 6.332 -4.112 8.571 1.00 1.00 H new ATOM 564 N TYR A 38 7.149 -3.579 4.930 1.00 1.00 N ATOM 565 CA TYR A 38 8.484 -3.884 4.436 1.00 1.00 C ATOM 566 C TYR A 38 9.248 -2.598 4.129 1.00 1.00 C ATOM 567 O TYR A 38 10.443 -2.497 4.398 1.00 1.00 O ATOM 568 CB TYR A 38 8.414 -4.763 3.175 1.00 1.00 C ATOM 569 CG TYR A 38 8.158 -6.199 3.563 1.00 1.00 C ATOM 570 CD1 TYR A 38 9.221 -6.998 3.980 1.00 1.00 C ATOM 571 CD2 TYR A 38 6.867 -6.723 3.514 1.00 1.00 C ATOM 572 CE1 TYR A 38 8.997 -8.325 4.345 1.00 1.00 C ATOM 573 CE2 TYR A 38 6.635 -8.049 3.882 1.00 1.00 C ATOM 574 CZ TYR A 38 7.701 -8.856 4.296 1.00 1.00 C ATOM 575 OH TYR A 38 7.474 -10.160 4.657 1.00 1.00 O ATOM 0 H TYR A 38 6.385 -3.910 4.340 1.00 1.00 H new ATOM 0 HA TYR A 38 9.013 -4.433 5.215 1.00 1.00 H new ATOM 0 HB2 TYR A 38 7.621 -4.408 2.517 1.00 1.00 H new ATOM 0 HB3 TYR A 38 9.348 -4.689 2.617 1.00 1.00 H new ATOM 0 HD1 TYR A 38 10.220 -6.589 4.021 1.00 1.00 H new ATOM 0 HD2 TYR A 38 6.045 -6.102 3.191 1.00 1.00 H new ATOM 0 HE1 TYR A 38 9.822 -8.944 4.665 1.00 1.00 H new ATOM 0 HE2 TYR A 38 5.634 -8.452 3.847 1.00 1.00 H new ATOM 0 HH TYR A 38 6.520 -10.364 4.565 1.00 1.00 H new ATOM 585 N PHE A 39 8.554 -1.618 3.570 1.00 1.00 N ATOM 586 CA PHE A 39 9.194 -0.354 3.237 1.00 1.00 C ATOM 587 C PHE A 39 9.736 0.318 4.501 1.00 1.00 C ATOM 588 O PHE A 39 10.904 0.734 4.558 1.00 1.00 O ATOM 589 CB PHE A 39 8.173 0.574 2.540 1.00 1.00 C ATOM 590 CG PHE A 39 8.111 0.274 1.056 1.00 1.00 C ATOM 591 CD1 PHE A 39 9.243 0.485 0.270 1.00 1.00 C ATOM 592 CD2 PHE A 39 6.931 -0.211 0.466 1.00 1.00 C ATOM 593 CE1 PHE A 39 9.208 0.212 -1.097 1.00 1.00 C ATOM 594 CE2 PHE A 39 6.897 -0.484 -0.908 1.00 1.00 C ATOM 595 CZ PHE A 39 8.039 -0.273 -1.687 1.00 1.00 C ATOM 0 H PHE A 39 7.562 -1.671 3.340 1.00 1.00 H new ATOM 0 HA PHE A 39 10.028 -0.545 2.562 1.00 1.00 H new ATOM 0 HB2 PHE A 39 7.187 0.440 2.986 1.00 1.00 H new ATOM 0 HB3 PHE A 39 8.454 1.616 2.695 1.00 1.00 H new ATOM 0 HD1 PHE A 39 10.149 0.861 0.721 1.00 1.00 H new ATOM 0 HD2 PHE A 39 6.051 -0.373 1.071 1.00 1.00 H new ATOM 0 HE1 PHE A 39 10.088 0.376 -1.701 1.00 1.00 H new ATOM 0 HE2 PHE A 39 5.992 -0.856 -1.364 1.00 1.00 H new ATOM 0 HZ PHE A 39 8.017 -0.485 -2.746 1.00 1.00 H new ATOM 605 N LEU A 40 8.885 0.415 5.513 1.00 1.00 N ATOM 606 CA LEU A 40 9.272 1.033 6.758 1.00 1.00 C ATOM 607 C LEU A 40 10.385 0.228 7.404 1.00 1.00 C ATOM 608 O LEU A 40 11.370 0.774 7.872 1.00 1.00 O ATOM 609 CB LEU A 40 8.067 1.095 7.703 1.00 1.00 C ATOM 610 CG LEU A 40 6.988 2.019 7.110 1.00 1.00 C ATOM 611 CD1 LEU A 40 5.692 1.857 7.909 1.00 1.00 C ATOM 612 CD2 LEU A 40 7.444 3.494 7.146 1.00 1.00 C ATOM 0 H LEU A 40 7.925 0.072 5.489 1.00 1.00 H new ATOM 0 HA LEU A 40 9.626 2.045 6.560 1.00 1.00 H new ATOM 0 HB2 LEU A 40 7.660 0.095 7.854 1.00 1.00 H new ATOM 0 HB3 LEU A 40 8.378 1.464 8.680 1.00 1.00 H new ATOM 0 HG LEU A 40 6.821 1.740 6.070 1.00 1.00 H new ATOM 0 HD11 LEU A 40 4.924 2.509 7.493 1.00 1.00 H new ATOM 0 HD12 LEU A 40 5.357 0.821 7.853 1.00 1.00 H new ATOM 0 HD13 LEU A 40 5.871 2.125 8.950 1.00 1.00 H new ATOM 0 HD21 LEU A 40 6.664 4.126 6.722 1.00 1.00 H new ATOM 0 HD22 LEU A 40 7.631 3.792 8.178 1.00 1.00 H new ATOM 0 HD23 LEU A 40 8.359 3.606 6.564 1.00 1.00 H new ATOM 624 N HIS A 41 10.245 -1.084 7.377 1.00 1.00 N ATOM 625 CA HIS A 41 11.263 -1.953 7.955 1.00 1.00 C ATOM 626 C HIS A 41 12.582 -1.840 7.193 1.00 1.00 C ATOM 627 O HIS A 41 13.640 -2.108 7.728 1.00 1.00 O ATOM 628 CB HIS A 41 10.772 -3.409 7.935 1.00 1.00 C ATOM 629 CG HIS A 41 11.503 -4.213 8.982 1.00 1.00 C ATOM 630 ND1 HIS A 41 12.684 -4.883 8.707 1.00 1.00 N ATOM 631 CD2 HIS A 41 11.233 -4.458 10.307 1.00 1.00 C ATOM 632 CE1 HIS A 41 13.079 -5.492 9.841 1.00 1.00 C ATOM 633 NE2 HIS A 41 12.231 -5.266 10.846 1.00 1.00 N ATOM 0 H HIS A 41 9.448 -1.571 6.967 1.00 1.00 H new ATOM 0 HA HIS A 41 11.438 -1.639 8.984 1.00 1.00 H new ATOM 0 HB2 HIS A 41 9.699 -3.442 8.122 1.00 1.00 H new ATOM 0 HB3 HIS A 41 10.937 -3.844 6.949 1.00 1.00 H new ATOM 0 HD2 HIS A 41 10.377 -4.081 10.848 1.00 1.00 H new ATOM 0 HE1 HIS A 41 13.974 -6.091 9.927 1.00 1.00 H new ATOM 0 HE2 HIS A 41 12.299 -5.611 11.803 1.00 1.00 H new ATOM 642 N ALA A 42 12.512 -1.461 5.938 1.00 1.00 N ATOM 643 CA ALA A 42 13.708 -1.338 5.128 1.00 1.00 C ATOM 644 C ALA A 42 14.514 -0.111 5.487 1.00 1.00 C ATOM 645 O ALA A 42 15.696 -0.199 5.722 1.00 1.00 O ATOM 646 CB ALA A 42 13.317 -1.249 3.656 1.00 1.00 C ATOM 0 H ALA A 42 11.644 -1.232 5.454 1.00 1.00 H new ATOM 0 HA ALA A 42 14.322 -2.218 5.317 1.00 1.00 H new ATOM 0 HB1 ALA A 42 14.215 -1.156 3.046 1.00 1.00 H new ATOM 0 HB2 ALA A 42 12.774 -2.150 3.369 1.00 1.00 H new ATOM 0 HB3 ALA A 42 12.681 -0.377 3.500 1.00 1.00 H new ATOM 652 N ILE A 43 13.852 1.022 5.574 1.00 1.00 N ATOM 653 CA ILE A 43 14.545 2.266 5.926 1.00 1.00 C ATOM 654 C ILE A 43 15.203 2.196 7.305 1.00 1.00 C ATOM 655 O ILE A 43 16.247 2.805 7.527 1.00 1.00 O ATOM 656 CB ILE A 43 13.560 3.436 5.908 1.00 1.00 C ATOM 657 CG1 ILE A 43 12.269 3.033 6.622 1.00 1.00 C ATOM 658 CG2 ILE A 43 13.233 3.818 4.473 1.00 1.00 C ATOM 659 CD1 ILE A 43 11.263 4.185 6.588 1.00 1.00 C ATOM 0 H ILE A 43 12.850 1.120 5.411 1.00 1.00 H new ATOM 0 HA ILE A 43 15.329 2.413 5.183 1.00 1.00 H new ATOM 0 HB ILE A 43 14.014 4.286 6.417 1.00 1.00 H new ATOM 0 HG12 ILE A 43 11.840 2.152 6.144 1.00 1.00 H new ATOM 0 HG13 ILE A 43 12.486 2.761 7.655 1.00 1.00 H new ATOM 0 HG21 ILE A 43 12.531 4.652 4.469 1.00 1.00 H new ATOM 0 HG22 ILE A 43 14.147 4.111 3.957 1.00 1.00 H new ATOM 0 HG23 ILE A 43 12.786 2.965 3.962 1.00 1.00 H new ATOM 0 HD11 ILE A 43 10.349 3.885 7.100 1.00 1.00 H new ATOM 0 HD12 ILE A 43 11.689 5.055 7.087 1.00 1.00 H new ATOM 0 HD13 ILE A 43 11.033 4.437 5.553 1.00 1.00 H new ATOM 671 N LYS A 44 14.598 1.455 8.224 1.00 1.00 N ATOM 672 CA LYS A 44 15.176 1.331 9.579 1.00 1.00 C ATOM 673 C LYS A 44 16.245 0.252 9.691 1.00 1.00 C ATOM 674 O LYS A 44 17.278 0.455 10.327 1.00 1.00 O ATOM 675 CB LYS A 44 14.099 1.018 10.600 1.00 1.00 C ATOM 676 CG LYS A 44 12.846 1.738 10.204 1.00 1.00 C ATOM 677 CD LYS A 44 11.816 1.655 11.325 1.00 1.00 C ATOM 678 CE LYS A 44 10.532 2.383 10.903 1.00 1.00 C ATOM 679 NZ LYS A 44 10.730 3.858 10.999 1.00 1.00 N ATOM 0 H LYS A 44 13.731 0.939 8.075 1.00 1.00 H new ATOM 0 HA LYS A 44 15.640 2.297 9.777 1.00 1.00 H new ATOM 0 HB2 LYS A 44 13.921 -0.056 10.645 1.00 1.00 H new ATOM 0 HB3 LYS A 44 14.417 1.330 11.595 1.00 1.00 H new ATOM 0 HG2 LYS A 44 13.071 2.781 9.984 1.00 1.00 H new ATOM 0 HG3 LYS A 44 12.439 1.300 9.293 1.00 1.00 H new ATOM 0 HD2 LYS A 44 11.596 0.612 11.553 1.00 1.00 H new ATOM 0 HD3 LYS A 44 12.217 2.103 12.234 1.00 1.00 H new ATOM 0 HE2 LYS A 44 10.267 2.109 9.882 1.00 1.00 H new ATOM 0 HE3 LYS A 44 9.703 2.076 11.541 1.00 1.00 H new ATOM 0 HZ1 LYS A 44 9.829 4.342 10.811 1.00 1.00 H new ATOM 0 HZ2 LYS A 44 11.061 4.102 11.954 1.00 1.00 H new ATOM 0 HZ3 LYS A 44 11.438 4.160 10.299 1.00 1.00 H new ATOM 802 N ALA A 52 16.685 8.625 -0.531 1.00 1.00 N ATOM 803 CA ALA A 52 15.904 7.412 -0.684 1.00 1.00 C ATOM 804 C ALA A 52 14.876 7.319 0.434 1.00 1.00 C ATOM 805 O ALA A 52 13.702 7.108 0.185 1.00 1.00 O ATOM 806 CB ALA A 52 16.833 6.174 -0.676 1.00 1.00 C ATOM 0 HA ALA A 52 15.381 7.440 -1.640 1.00 1.00 H new ATOM 0 HB1 ALA A 52 16.235 5.270 -0.791 1.00 1.00 H new ATOM 0 HB2 ALA A 52 17.544 6.247 -1.499 1.00 1.00 H new ATOM 0 HB3 ALA A 52 17.375 6.132 0.269 1.00 1.00 H new ATOM 812 N LYS A 53 15.319 7.483 1.664 1.00 1.00 N ATOM 813 CA LYS A 53 14.399 7.392 2.787 1.00 1.00 C ATOM 814 C LYS A 53 13.169 8.253 2.541 1.00 1.00 C ATOM 815 O LYS A 53 12.040 7.777 2.641 1.00 1.00 O ATOM 816 CB LYS A 53 15.117 7.839 4.086 1.00 1.00 C ATOM 817 CG LYS A 53 15.480 6.634 4.963 1.00 1.00 C ATOM 818 CD LYS A 53 16.697 5.888 4.369 1.00 1.00 C ATOM 819 CE LYS A 53 17.960 6.246 5.145 1.00 1.00 C ATOM 820 NZ LYS A 53 18.171 7.721 5.084 1.00 1.00 N ATOM 0 H LYS A 53 16.289 7.676 1.912 1.00 1.00 H new ATOM 0 HA LYS A 53 14.075 6.357 2.895 1.00 1.00 H new ATOM 0 HB2 LYS A 53 16.021 8.393 3.833 1.00 1.00 H new ATOM 0 HB3 LYS A 53 14.473 8.518 4.645 1.00 1.00 H new ATOM 0 HG2 LYS A 53 15.707 6.967 5.976 1.00 1.00 H new ATOM 0 HG3 LYS A 53 14.629 5.957 5.034 1.00 1.00 H new ATOM 0 HD2 LYS A 53 16.529 4.812 4.409 1.00 1.00 H new ATOM 0 HD3 LYS A 53 16.819 6.153 3.319 1.00 1.00 H new ATOM 0 HE2 LYS A 53 17.868 5.922 6.182 1.00 1.00 H new ATOM 0 HE3 LYS A 53 18.820 5.726 4.723 1.00 1.00 H new ATOM 0 HZ1 LYS A 53 19.118 7.951 5.446 1.00 1.00 H new ATOM 0 HZ2 LYS A 53 18.089 8.043 4.098 1.00 1.00 H new ATOM 0 HZ3 LYS A 53 17.453 8.199 5.665 1.00 1.00 H new ATOM 834 N GLU A 54 13.395 9.512 2.216 1.00 1.00 N ATOM 835 CA GLU A 54 12.291 10.414 1.977 1.00 1.00 C ATOM 836 C GLU A 54 11.363 9.814 0.937 1.00 1.00 C ATOM 837 O GLU A 54 10.141 9.915 1.051 1.00 1.00 O ATOM 838 CB GLU A 54 12.835 11.773 1.501 1.00 1.00 C ATOM 839 CG GLU A 54 13.049 12.701 2.694 1.00 1.00 C ATOM 840 CD GLU A 54 14.043 12.077 3.669 1.00 1.00 C ATOM 841 OE1 GLU A 54 13.623 11.247 4.459 1.00 1.00 O ATOM 842 OE2 GLU A 54 15.207 12.438 3.613 1.00 1.00 O ATOM 0 H GLU A 54 14.321 9.927 2.113 1.00 1.00 H new ATOM 0 HA GLU A 54 11.729 10.566 2.899 1.00 1.00 H new ATOM 0 HB2 GLU A 54 13.775 11.630 0.968 1.00 1.00 H new ATOM 0 HB3 GLU A 54 12.136 12.227 0.798 1.00 1.00 H new ATOM 0 HG2 GLU A 54 13.420 13.667 2.352 1.00 1.00 H new ATOM 0 HG3 GLU A 54 12.100 12.885 3.197 1.00 1.00 H new ATOM 849 N SER A 55 11.943 9.178 -0.068 1.00 1.00 N ATOM 850 CA SER A 55 11.127 8.565 -1.101 1.00 1.00 C ATOM 851 C SER A 55 10.226 7.491 -0.496 1.00 1.00 C ATOM 852 O SER A 55 9.047 7.395 -0.832 1.00 1.00 O ATOM 853 CB SER A 55 12.014 7.950 -2.191 1.00 1.00 C ATOM 854 OG SER A 55 11.193 7.386 -3.204 1.00 1.00 O ATOM 0 H SER A 55 12.950 9.074 -0.189 1.00 1.00 H new ATOM 0 HA SER A 55 10.504 9.338 -1.551 1.00 1.00 H new ATOM 0 HB2 SER A 55 12.666 8.712 -2.618 1.00 1.00 H new ATOM 0 HB3 SER A 55 12.659 7.183 -1.761 1.00 1.00 H new ATOM 0 HG SER A 55 11.758 6.994 -3.902 1.00 1.00 H new ATOM 860 N ILE A 56 10.793 6.676 0.384 1.00 1.00 N ATOM 861 CA ILE A 56 10.029 5.600 1.004 1.00 1.00 C ATOM 862 C ILE A 56 8.940 6.168 1.910 1.00 1.00 C ATOM 863 O ILE A 56 7.805 5.715 1.891 1.00 1.00 O ATOM 864 CB ILE A 56 10.961 4.712 1.845 1.00 1.00 C ATOM 865 CG1 ILE A 56 12.225 4.356 1.053 1.00 1.00 C ATOM 866 CG2 ILE A 56 10.239 3.414 2.230 1.00 1.00 C ATOM 867 CD1 ILE A 56 11.852 3.867 -0.330 1.00 1.00 C ATOM 0 H ILE A 56 11.767 6.737 0.682 1.00 1.00 H new ATOM 0 HA ILE A 56 9.568 5.010 0.212 1.00 1.00 H new ATOM 0 HB ILE A 56 11.240 5.265 2.742 1.00 1.00 H new ATOM 0 HG12 ILE A 56 12.873 5.229 0.976 1.00 1.00 H new ATOM 0 HG13 ILE A 56 12.789 3.586 1.580 1.00 1.00 H new ATOM 0 HG21 ILE A 56 10.905 2.790 2.826 1.00 1.00 H new ATOM 0 HG22 ILE A 56 9.348 3.652 2.812 1.00 1.00 H new ATOM 0 HG23 ILE A 56 9.950 2.877 1.327 1.00 1.00 H new ATOM 0 HD11 ILE A 56 12.757 3.617 -0.884 1.00 1.00 H new ATOM 0 HD12 ILE A 56 11.222 2.981 -0.245 1.00 1.00 H new ATOM 0 HD13 ILE A 56 11.308 4.650 -0.858 1.00 1.00 H new ATOM 879 N ARG A 57 9.309 7.156 2.709 1.00 1.00 N ATOM 880 CA ARG A 57 8.359 7.774 3.629 1.00 1.00 C ATOM 881 C ARG A 57 7.209 8.436 2.864 1.00 1.00 C ATOM 882 O ARG A 57 6.051 8.376 3.288 1.00 1.00 O ATOM 883 CB ARG A 57 9.059 8.829 4.481 1.00 1.00 C ATOM 884 CG ARG A 57 10.159 8.170 5.327 1.00 1.00 C ATOM 885 CD ARG A 57 10.565 9.084 6.495 1.00 1.00 C ATOM 886 NE ARG A 57 9.857 8.673 7.698 1.00 1.00 N ATOM 887 CZ ARG A 57 9.658 9.522 8.702 1.00 1.00 C ATOM 888 NH1 ARG A 57 10.092 10.749 8.607 1.00 1.00 N ATOM 889 NH2 ARG A 57 9.033 9.133 9.779 1.00 1.00 N ATOM 0 H ARG A 57 10.251 7.547 2.742 1.00 1.00 H new ATOM 0 HA ARG A 57 7.957 6.989 4.270 1.00 1.00 H new ATOM 0 HB2 ARG A 57 9.492 9.598 3.841 1.00 1.00 H new ATOM 0 HB3 ARG A 57 8.336 9.324 5.130 1.00 1.00 H new ATOM 0 HG2 ARG A 57 9.805 7.214 5.713 1.00 1.00 H new ATOM 0 HG3 ARG A 57 11.028 7.960 4.703 1.00 1.00 H new ATOM 0 HD2 ARG A 57 11.642 9.030 6.657 1.00 1.00 H new ATOM 0 HD3 ARG A 57 10.330 10.122 6.258 1.00 1.00 H new ATOM 0 HE ARG A 57 9.507 7.718 7.772 1.00 1.00 H new ATOM 0 HH11 ARG A 57 10.581 11.053 7.765 1.00 1.00 H new ATOM 0 HH12 ARG A 57 9.942 11.404 9.374 1.00 1.00 H new ATOM 0 HH21 ARG A 57 8.694 8.174 9.854 1.00 1.00 H new ATOM 0 HH22 ARG A 57 8.883 9.788 10.546 1.00 1.00 H new ATOM 903 N ALA A 58 7.534 9.044 1.724 1.00 1.00 N ATOM 904 CA ALA A 58 6.515 9.691 0.897 1.00 1.00 C ATOM 905 C ALA A 58 5.576 8.642 0.285 1.00 1.00 C ATOM 906 O ALA A 58 4.350 8.737 0.356 1.00 1.00 O ATOM 907 CB ALA A 58 7.202 10.495 -0.210 1.00 1.00 C ATOM 0 H ALA A 58 8.483 9.103 1.355 1.00 1.00 H new ATOM 0 HA ALA A 58 5.920 10.361 1.518 1.00 1.00 H new ATOM 0 HB1 ALA A 58 6.447 10.979 -0.830 1.00 1.00 H new ATOM 0 HB2 ALA A 58 7.846 11.253 0.237 1.00 1.00 H new ATOM 0 HB3 ALA A 58 7.803 9.826 -0.826 1.00 1.00 H new ATOM 913 N LYS A 59 6.150 7.629 -0.315 1.00 1.00 N ATOM 914 CA LYS A 59 5.341 6.587 -0.914 1.00 1.00 C ATOM 915 C LYS A 59 4.603 5.804 0.160 1.00 1.00 C ATOM 916 O LYS A 59 3.467 5.371 -0.031 1.00 1.00 O ATOM 917 CB LYS A 59 6.221 5.687 -1.768 1.00 1.00 C ATOM 918 CG LYS A 59 6.834 6.488 -2.935 1.00 1.00 C ATOM 919 CD LYS A 59 5.764 7.122 -3.843 1.00 1.00 C ATOM 920 CE LYS A 59 4.772 6.047 -4.296 1.00 1.00 C ATOM 921 NZ LYS A 59 4.083 6.503 -5.525 1.00 1.00 N ATOM 0 H LYS A 59 7.158 7.500 -0.403 1.00 1.00 H new ATOM 0 HA LYS A 59 4.587 7.036 -1.561 1.00 1.00 H new ATOM 0 HB2 LYS A 59 7.015 5.257 -1.157 1.00 1.00 H new ATOM 0 HB3 LYS A 59 5.633 4.856 -2.158 1.00 1.00 H new ATOM 0 HG2 LYS A 59 7.477 7.272 -2.535 1.00 1.00 H new ATOM 0 HG3 LYS A 59 7.467 5.830 -3.530 1.00 1.00 H new ATOM 0 HD2 LYS A 59 5.239 7.912 -3.306 1.00 1.00 H new ATOM 0 HD3 LYS A 59 6.236 7.584 -4.710 1.00 1.00 H new ATOM 0 HE2 LYS A 59 5.295 5.110 -4.485 1.00 1.00 H new ATOM 0 HE3 LYS A 59 4.044 5.852 -3.508 1.00 1.00 H new ATOM 0 HZ1 LYS A 59 3.235 5.922 -5.684 1.00 1.00 H new ATOM 0 HZ2 LYS A 59 3.805 7.499 -5.418 1.00 1.00 H new ATOM 0 HZ3 LYS A 59 4.725 6.409 -6.338 1.00 1.00 H new ATOM 935 N CYS A 60 5.262 5.614 1.281 1.00 1.00 N ATOM 936 CA CYS A 60 4.671 4.872 2.377 1.00 1.00 C ATOM 937 C CYS A 60 3.337 5.491 2.765 1.00 1.00 C ATOM 938 O CYS A 60 2.326 4.793 2.859 1.00 1.00 O ATOM 939 CB CYS A 60 5.614 4.894 3.577 1.00 1.00 C ATOM 940 SG CYS A 60 6.905 3.649 3.363 1.00 1.00 S ATOM 0 H CYS A 60 6.204 5.961 1.460 1.00 1.00 H new ATOM 0 HA CYS A 60 4.507 3.841 2.062 1.00 1.00 H new ATOM 0 HB2 CYS A 60 6.062 5.882 3.681 1.00 1.00 H new ATOM 0 HB3 CYS A 60 5.056 4.699 4.493 1.00 1.00 H new ATOM 0 HG CYS A 60 7.676 3.989 2.373 1.00 1.00 H new ATOM 946 N VAL A 61 3.332 6.806 2.979 1.00 1.00 N ATOM 947 CA VAL A 61 2.100 7.495 3.344 1.00 1.00 C ATOM 948 C VAL A 61 1.080 7.414 2.210 1.00 1.00 C ATOM 949 O VAL A 61 -0.126 7.396 2.451 1.00 1.00 O ATOM 950 CB VAL A 61 2.396 8.957 3.693 1.00 1.00 C ATOM 951 CG1 VAL A 61 3.081 9.649 2.527 1.00 1.00 C ATOM 952 CG2 VAL A 61 1.092 9.685 4.007 1.00 1.00 C ATOM 0 H VAL A 61 4.154 7.406 2.907 1.00 1.00 H new ATOM 0 HA VAL A 61 1.676 7.004 4.220 1.00 1.00 H new ATOM 0 HB VAL A 61 3.053 8.981 4.562 1.00 1.00 H new ATOM 0 HG11 VAL A 61 3.285 10.687 2.789 1.00 1.00 H new ATOM 0 HG12 VAL A 61 4.018 9.140 2.302 1.00 1.00 H new ATOM 0 HG13 VAL A 61 2.431 9.617 1.652 1.00 1.00 H new ATOM 0 HG21 VAL A 61 1.306 10.725 4.255 1.00 1.00 H new ATOM 0 HG22 VAL A 61 0.436 9.647 3.138 1.00 1.00 H new ATOM 0 HG23 VAL A 61 0.601 9.204 4.853 1.00 1.00 H new ATOM 962 N GLN A 62 1.572 7.341 0.974 1.00 1.00 N ATOM 963 CA GLN A 62 0.674 7.233 -0.176 1.00 1.00 C ATOM 964 C GLN A 62 -0.017 5.872 -0.190 1.00 1.00 C ATOM 965 O GLN A 62 -1.237 5.778 -0.369 1.00 1.00 O ATOM 966 CB GLN A 62 1.457 7.436 -1.475 1.00 1.00 C ATOM 967 CG GLN A 62 1.862 8.910 -1.600 1.00 1.00 C ATOM 968 CD GLN A 62 2.782 9.104 -2.799 1.00 1.00 C ATOM 969 OE1 GLN A 62 2.518 8.572 -3.877 1.00 1.00 O ATOM 970 NE2 GLN A 62 3.851 9.846 -2.678 1.00 1.00 N ATOM 0 H GLN A 62 2.566 7.354 0.745 1.00 1.00 H new ATOM 0 HA GLN A 62 -0.088 8.009 -0.094 1.00 1.00 H new ATOM 0 HB2 GLN A 62 2.344 6.802 -1.481 1.00 1.00 H new ATOM 0 HB3 GLN A 62 0.848 7.141 -2.330 1.00 1.00 H new ATOM 0 HG2 GLN A 62 0.973 9.531 -1.711 1.00 1.00 H new ATOM 0 HG3 GLN A 62 2.366 9.235 -0.690 1.00 1.00 H new ATOM 0 HE21 GLN A 62 4.068 10.286 -1.784 1.00 1.00 H new ATOM 0 HE22 GLN A 62 4.468 9.985 -3.478 1.00 1.00 H new ATOM 979 N TYR A 63 0.768 4.820 0.004 1.00 1.00 N ATOM 980 CA TYR A 63 0.223 3.473 0.010 1.00 1.00 C ATOM 981 C TYR A 63 -0.777 3.316 1.136 1.00 1.00 C ATOM 982 O TYR A 63 -1.880 2.811 0.927 1.00 1.00 O ATOM 983 CB TYR A 63 1.356 2.447 0.169 1.00 1.00 C ATOM 984 CG TYR A 63 2.337 2.533 -0.992 1.00 1.00 C ATOM 985 CD1 TYR A 63 1.883 2.636 -2.313 1.00 1.00 C ATOM 986 CD2 TYR A 63 3.713 2.521 -0.739 1.00 1.00 C ATOM 987 CE1 TYR A 63 2.789 2.734 -3.367 1.00 1.00 C ATOM 988 CE2 TYR A 63 4.620 2.617 -1.798 1.00 1.00 C ATOM 989 CZ TYR A 63 4.155 2.728 -3.112 1.00 1.00 C ATOM 990 OH TYR A 63 5.043 2.828 -4.159 1.00 1.00 O ATOM 0 H TYR A 63 1.775 4.874 0.158 1.00 1.00 H new ATOM 0 HA TYR A 63 -0.285 3.298 -0.938 1.00 1.00 H new ATOM 0 HB2 TYR A 63 1.882 2.623 1.108 1.00 1.00 H new ATOM 0 HB3 TYR A 63 0.937 1.442 0.222 1.00 1.00 H new ATOM 0 HD1 TYR A 63 0.822 2.639 -2.516 1.00 1.00 H new ATOM 0 HD2 TYR A 63 4.075 2.438 0.275 1.00 1.00 H new ATOM 0 HE1 TYR A 63 2.430 2.815 -4.382 1.00 1.00 H new ATOM 0 HE2 TYR A 63 5.682 2.605 -1.601 1.00 1.00 H new ATOM 0 HH TYR A 63 4.572 3.146 -4.958 1.00 1.00 H new ATOM 1000 N LEU A 64 -0.392 3.738 2.328 1.00 1.00 N ATOM 1001 CA LEU A 64 -1.291 3.610 3.453 1.00 1.00 C ATOM 1002 C LEU A 64 -2.570 4.377 3.183 1.00 1.00 C ATOM 1003 O LEU A 64 -3.657 3.840 3.350 1.00 1.00 O ATOM 1004 CB LEU A 64 -0.612 4.142 4.721 1.00 1.00 C ATOM 1005 CG LEU A 64 0.129 3.020 5.449 1.00 1.00 C ATOM 1006 CD1 LEU A 64 1.111 3.634 6.456 1.00 1.00 C ATOM 1007 CD2 LEU A 64 -0.864 2.089 6.182 1.00 1.00 C ATOM 0 H LEU A 64 0.513 4.161 2.536 1.00 1.00 H new ATOM 0 HA LEU A 64 -1.538 2.558 3.598 1.00 1.00 H new ATOM 0 HB2 LEU A 64 0.087 4.936 4.459 1.00 1.00 H new ATOM 0 HB3 LEU A 64 -1.359 4.580 5.383 1.00 1.00 H new ATOM 0 HG LEU A 64 0.674 2.425 4.717 1.00 1.00 H new ATOM 0 HD11 LEU A 64 1.642 2.838 6.978 1.00 1.00 H new ATOM 0 HD12 LEU A 64 1.828 4.263 5.928 1.00 1.00 H new ATOM 0 HD13 LEU A 64 0.562 4.238 7.178 1.00 1.00 H new ATOM 0 HD21 LEU A 64 -0.313 1.299 6.692 1.00 1.00 H new ATOM 0 HD22 LEU A 64 -1.432 2.665 6.912 1.00 1.00 H new ATOM 0 HD23 LEU A 64 -1.548 1.645 5.459 1.00 1.00 H new ATOM 1019 N ASP A 65 -2.457 5.636 2.775 1.00 1.00 N ATOM 1020 CA ASP A 65 -3.639 6.432 2.523 1.00 1.00 C ATOM 1021 C ASP A 65 -4.607 5.652 1.649 1.00 1.00 C ATOM 1022 O ASP A 65 -5.805 5.577 1.940 1.00 1.00 O ATOM 1023 CB ASP A 65 -3.212 7.711 1.806 1.00 1.00 C ATOM 1024 CG ASP A 65 -4.421 8.579 1.489 1.00 1.00 C ATOM 1025 OD1 ASP A 65 -5.528 8.134 1.735 1.00 1.00 O ATOM 1026 OD2 ASP A 65 -4.221 9.681 1.001 1.00 1.00 O ATOM 0 H ASP A 65 -1.571 6.116 2.615 1.00 1.00 H new ATOM 0 HA ASP A 65 -4.135 6.676 3.463 1.00 1.00 H new ATOM 0 HB2 ASP A 65 -2.512 8.267 2.430 1.00 1.00 H new ATOM 0 HB3 ASP A 65 -2.687 7.459 0.884 1.00 1.00 H new ATOM 1031 N ARG A 66 -4.092 5.056 0.587 1.00 1.00 N ATOM 1032 CA ARG A 66 -4.950 4.278 -0.287 1.00 1.00 C ATOM 1033 C ARG A 66 -5.562 3.116 0.494 1.00 1.00 C ATOM 1034 O ARG A 66 -6.744 2.806 0.366 1.00 1.00 O ATOM 1035 CB ARG A 66 -4.128 3.755 -1.459 1.00 1.00 C ATOM 1036 CG ARG A 66 -3.672 4.933 -2.335 1.00 1.00 C ATOM 1037 CD ARG A 66 -4.828 5.465 -3.190 1.00 1.00 C ATOM 1038 NE ARG A 66 -5.441 4.364 -3.920 1.00 1.00 N ATOM 1039 CZ ARG A 66 -6.500 4.560 -4.691 1.00 1.00 C ATOM 1040 NH1 ARG A 66 -7.006 5.754 -4.803 1.00 1.00 N ATOM 1041 NH2 ARG A 66 -7.034 3.557 -5.331 1.00 1.00 N ATOM 0 H ARG A 66 -3.110 5.094 0.314 1.00 1.00 H new ATOM 0 HA ARG A 66 -5.757 4.905 -0.668 1.00 1.00 H new ATOM 0 HB2 ARG A 66 -3.262 3.205 -1.092 1.00 1.00 H new ATOM 0 HB3 ARG A 66 -4.721 3.057 -2.050 1.00 1.00 H new ATOM 0 HG2 ARG A 66 -3.286 5.732 -1.703 1.00 1.00 H new ATOM 0 HG3 ARG A 66 -2.854 4.614 -2.981 1.00 1.00 H new ATOM 0 HD2 ARG A 66 -5.569 5.952 -2.556 1.00 1.00 H new ATOM 0 HD3 ARG A 66 -4.461 6.218 -3.888 1.00 1.00 H new ATOM 0 HE ARG A 66 -5.048 3.426 -3.836 1.00 1.00 H new ATOM 0 HH11 ARG A 66 -6.587 6.535 -4.298 1.00 1.00 H new ATOM 0 HH12 ARG A 66 -7.821 5.909 -5.396 1.00 1.00 H new ATOM 0 HH21 ARG A 66 -6.636 2.622 -5.238 1.00 1.00 H new ATOM 0 HH22 ARG A 66 -7.850 3.707 -5.925 1.00 1.00 H new ATOM 1055 N ALA A 67 -4.743 2.455 1.284 1.00 1.00 N ATOM 1056 CA ALA A 67 -5.220 1.319 2.063 1.00 1.00 C ATOM 1057 C ALA A 67 -6.310 1.762 3.044 1.00 1.00 C ATOM 1058 O ALA A 67 -7.230 1.003 3.355 1.00 1.00 O ATOM 1059 CB ALA A 67 -4.057 0.694 2.837 1.00 1.00 C ATOM 0 H ALA A 67 -3.755 2.676 1.407 1.00 1.00 H new ATOM 0 HA ALA A 67 -5.640 0.581 1.379 1.00 1.00 H new ATOM 0 HB1 ALA A 67 -4.420 -0.154 3.417 1.00 1.00 H new ATOM 0 HB2 ALA A 67 -3.294 0.355 2.136 1.00 1.00 H new ATOM 0 HB3 ALA A 67 -3.627 1.436 3.510 1.00 1.00 H new ATOM 1065 N GLU A 68 -6.192 2.991 3.537 1.00 1.00 N ATOM 1066 CA GLU A 68 -7.156 3.518 4.486 1.00 1.00 C ATOM 1067 C GLU A 68 -8.516 3.717 3.843 1.00 1.00 C ATOM 1068 O GLU A 68 -9.513 3.198 4.330 1.00 1.00 O ATOM 1069 CB GLU A 68 -6.660 4.861 5.030 1.00 1.00 C ATOM 1070 CG GLU A 68 -5.458 4.638 5.940 1.00 1.00 C ATOM 1071 CD GLU A 68 -4.897 5.980 6.406 1.00 1.00 C ATOM 1072 OE1 GLU A 68 -5.470 6.998 6.051 1.00 1.00 O ATOM 1073 OE2 GLU A 68 -3.901 5.971 7.111 1.00 1.00 O ATOM 0 H GLU A 68 -5.440 3.636 3.294 1.00 1.00 H new ATOM 0 HA GLU A 68 -7.259 2.795 5.295 1.00 1.00 H new ATOM 0 HB2 GLU A 68 -6.386 5.519 4.205 1.00 1.00 H new ATOM 0 HB3 GLU A 68 -7.458 5.357 5.582 1.00 1.00 H new ATOM 0 HG2 GLU A 68 -5.751 4.038 6.802 1.00 1.00 H new ATOM 0 HG3 GLU A 68 -4.689 4.078 5.409 1.00 1.00 H new ATOM 1080 N LYS A 69 -8.554 4.469 2.751 1.00 1.00 N ATOM 1081 CA LYS A 69 -9.820 4.720 2.078 1.00 1.00 C ATOM 1082 C LYS A 69 -10.430 3.405 1.598 1.00 1.00 C ATOM 1083 O LYS A 69 -11.660 3.224 1.632 1.00 1.00 O ATOM 1084 CB LYS A 69 -9.605 5.679 0.899 1.00 1.00 C ATOM 1085 CG LYS A 69 -8.681 5.029 -0.106 1.00 1.00 C ATOM 1086 CD LYS A 69 -8.368 5.999 -1.249 1.00 1.00 C ATOM 1087 CE LYS A 69 -9.663 6.426 -1.950 1.00 1.00 C ATOM 1088 NZ LYS A 69 -9.353 6.906 -3.322 1.00 1.00 N ATOM 0 H LYS A 69 -7.740 4.908 2.320 1.00 1.00 H new ATOM 0 HA LYS A 69 -10.512 5.184 2.781 1.00 1.00 H new ATOM 0 HB2 LYS A 69 -10.560 5.920 0.431 1.00 1.00 H new ATOM 0 HB3 LYS A 69 -9.177 6.618 1.251 1.00 1.00 H new ATOM 0 HG2 LYS A 69 -7.756 4.724 0.384 1.00 1.00 H new ATOM 0 HG3 LYS A 69 -9.143 4.126 -0.504 1.00 1.00 H new ATOM 0 HD2 LYS A 69 -7.850 6.876 -0.860 1.00 1.00 H new ATOM 0 HD3 LYS A 69 -7.697 5.524 -1.965 1.00 1.00 H new ATOM 0 HE2 LYS A 69 -10.357 5.587 -1.996 1.00 1.00 H new ATOM 0 HE3 LYS A 69 -10.154 7.215 -1.380 1.00 1.00 H new ATOM 0 HZ1 LYS A 69 -10.048 7.627 -3.603 1.00 1.00 H new ATOM 0 HZ2 LYS A 69 -8.399 7.320 -3.338 1.00 1.00 H new ATOM 0 HZ3 LYS A 69 -9.395 6.107 -3.987 1.00 1.00 H new ATOM 1102 N LEU A 70 -9.574 2.490 1.148 1.00 1.00 N ATOM 1103 CA LEU A 70 -10.040 1.204 0.648 1.00 1.00 C ATOM 1104 C LEU A 70 -10.780 0.447 1.726 1.00 1.00 C ATOM 1105 O LEU A 70 -11.900 -0.012 1.533 1.00 1.00 O ATOM 1106 CB LEU A 70 -8.867 0.368 0.115 1.00 1.00 C ATOM 1107 CG LEU A 70 -8.399 0.948 -1.237 1.00 1.00 C ATOM 1108 CD1 LEU A 70 -6.999 0.423 -1.568 1.00 1.00 C ATOM 1109 CD2 LEU A 70 -9.377 0.554 -2.380 1.00 1.00 C ATOM 0 H LEU A 70 -8.562 2.616 1.120 1.00 1.00 H new ATOM 0 HA LEU A 70 -10.729 1.392 -0.175 1.00 1.00 H new ATOM 0 HB2 LEU A 70 -8.045 0.376 0.831 1.00 1.00 H new ATOM 0 HB3 LEU A 70 -9.173 -0.671 -0.008 1.00 1.00 H new ATOM 0 HG LEU A 70 -8.379 2.035 -1.153 1.00 1.00 H new ATOM 0 HD11 LEU A 70 -6.672 0.835 -2.523 1.00 1.00 H new ATOM 0 HD12 LEU A 70 -6.303 0.725 -0.786 1.00 1.00 H new ATOM 0 HD13 LEU A 70 -7.024 -0.665 -1.631 1.00 1.00 H new ATOM 0 HD21 LEU A 70 -9.025 0.975 -3.322 1.00 1.00 H new ATOM 0 HD22 LEU A 70 -9.422 -0.532 -2.462 1.00 1.00 H new ATOM 0 HD23 LEU A 70 -10.371 0.942 -2.158 1.00 1.00 H new ATOM 1121 N LYS A 71 -10.140 0.376 2.867 1.00 1.00 N ATOM 1122 CA LYS A 71 -10.710 -0.281 4.028 1.00 1.00 C ATOM 1123 C LYS A 71 -11.870 0.532 4.609 1.00 1.00 C ATOM 1124 O LYS A 71 -12.710 -0.005 5.336 1.00 1.00 O ATOM 1125 CB LYS A 71 -9.656 -0.488 5.109 1.00 1.00 C ATOM 1126 CG LYS A 71 -10.200 -1.434 6.183 1.00 1.00 C ATOM 1127 CD LYS A 71 -9.096 -1.808 7.170 1.00 1.00 C ATOM 1128 CE LYS A 71 -8.457 -0.540 7.745 1.00 1.00 C ATOM 1129 NZ LYS A 71 -7.785 -0.865 9.032 1.00 1.00 N ATOM 0 H LYS A 71 -9.212 0.769 3.022 1.00 1.00 H new ATOM 0 HA LYS A 71 -11.084 -1.250 3.698 1.00 1.00 H new ATOM 0 HB2 LYS A 71 -8.748 -0.903 4.671 1.00 1.00 H new ATOM 0 HB3 LYS A 71 -9.386 0.469 5.556 1.00 1.00 H new ATOM 0 HG2 LYS A 71 -11.025 -0.957 6.713 1.00 1.00 H new ATOM 0 HG3 LYS A 71 -10.599 -2.334 5.716 1.00 1.00 H new ATOM 0 HD2 LYS A 71 -9.508 -2.415 7.976 1.00 1.00 H new ATOM 0 HD3 LYS A 71 -8.339 -2.412 6.670 1.00 1.00 H new ATOM 0 HE2 LYS A 71 -7.735 -0.131 7.038 1.00 1.00 H new ATOM 0 HE3 LYS A 71 -9.218 0.225 7.902 1.00 1.00 H new ATOM 0 HZ1 LYS A 71 -7.351 -0.005 9.424 1.00 1.00 H new ATOM 0 HZ2 LYS A 71 -8.485 -1.237 9.705 1.00 1.00 H new ATOM 0 HZ3 LYS A 71 -7.049 -1.581 8.868 1.00 1.00 H new ATOM 1143 N ASP A 72 -11.900 1.835 4.315 1.00 1.00 N ATOM 1144 CA ASP A 72 -12.940 2.709 4.853 1.00 1.00 C ATOM 1145 C ASP A 72 -14.320 2.416 4.262 1.00 1.00 C ATOM 1146 O ASP A 72 -15.280 2.121 4.980 1.00 1.00 O ATOM 1147 CB ASP A 72 -12.570 4.155 4.496 1.00 1.00 C ATOM 1148 CG ASP A 72 -13.380 5.128 5.346 1.00 1.00 C ATOM 1149 OD1 ASP A 72 -13.930 4.691 6.339 1.00 1.00 O ATOM 1150 OD2 ASP A 72 -13.430 6.295 4.993 1.00 1.00 O ATOM 0 H ASP A 72 -11.222 2.302 3.713 1.00 1.00 H new ATOM 0 HA ASP A 72 -12.995 2.543 5.929 1.00 1.00 H new ATOM 0 HB2 ASP A 72 -11.505 4.317 4.660 1.00 1.00 H new ATOM 0 HB3 ASP A 72 -12.762 4.337 3.439 1.00 1.00 H new ATOM 1155 N TYR A 73 -14.410 2.494 2.946 1.00 1.00 N ATOM 1156 CA TYR A 73 -15.680 2.240 2.294 1.00 1.00 C ATOM 1157 C TYR A 73 -15.960 0.744 2.275 1.00 1.00 C ATOM 1158 O TYR A 73 -17.110 0.329 2.306 1.00 1.00 O ATOM 1159 CB TYR A 73 -15.710 2.831 0.876 1.00 1.00 C ATOM 1160 CG TYR A 73 -14.960 1.956 -0.088 1.00 1.00 C ATOM 1161 CD1 TYR A 73 -15.540 0.766 -0.554 1.00 1.00 C ATOM 1162 CD2 TYR A 73 -13.690 2.329 -0.510 1.00 1.00 C ATOM 1163 CE1 TYR A 73 -14.830 -0.043 -1.429 1.00 1.00 C ATOM 1164 CE2 TYR A 73 -12.990 1.522 -1.394 1.00 1.00 C ATOM 1165 CZ TYR A 73 -13.560 0.337 -1.852 1.00 1.00 C ATOM 1166 OH TYR A 73 -12.850 -0.462 -2.698 1.00 1.00 O ATOM 0 H TYR A 73 -13.638 2.726 2.321 1.00 1.00 H new ATOM 0 HA TYR A 73 -16.467 2.735 2.863 1.00 1.00 H new ATOM 0 HB2 TYR A 73 -16.743 2.940 0.546 1.00 1.00 H new ATOM 0 HB3 TYR A 73 -15.271 3.829 0.885 1.00 1.00 H new ATOM 0 HD1 TYR A 73 -16.532 0.482 -0.234 1.00 1.00 H new ATOM 0 HD2 TYR A 73 -13.248 3.246 -0.150 1.00 1.00 H new ATOM 0 HE1 TYR A 73 -15.263 -0.967 -1.782 1.00 1.00 H new ATOM 0 HE2 TYR A 73 -12.004 1.812 -1.727 1.00 1.00 H new ATOM 0 HH TYR A 73 -13.213 -1.372 -2.671 1.00 1.00 H new ATOM 1176 N LEU A 74 -14.900 -0.065 2.246 1.00 1.00 N ATOM 1177 CA LEU A 74 -15.090 -1.506 2.244 1.00 1.00 C ATOM 1178 C LEU A 74 -15.830 -1.926 3.509 1.00 1.00 C ATOM 1179 O LEU A 74 -16.790 -2.697 3.456 1.00 1.00 O ATOM 1180 CB LEU A 74 -13.720 -2.192 2.190 1.00 1.00 C ATOM 1181 CG LEU A 74 -13.220 -2.328 0.734 1.00 1.00 C ATOM 1182 CD1 LEU A 74 -11.710 -2.717 0.708 1.00 1.00 C ATOM 1183 CD2 LEU A 74 -14.090 -3.384 -0.010 1.00 1.00 C ATOM 0 H LEU A 74 -13.929 0.246 2.224 1.00 1.00 H new ATOM 0 HA LEU A 74 -15.679 -1.799 1.375 1.00 1.00 H new ATOM 0 HB2 LEU A 74 -13.000 -1.618 2.773 1.00 1.00 H new ATOM 0 HB3 LEU A 74 -13.786 -3.179 2.648 1.00 1.00 H new ATOM 0 HG LEU A 74 -13.318 -1.370 0.223 1.00 1.00 H new ATOM 0 HD11 LEU A 74 -11.376 -2.808 -0.325 1.00 1.00 H new ATOM 0 HD12 LEU A 74 -11.127 -1.946 1.211 1.00 1.00 H new ATOM 0 HD13 LEU A 74 -11.571 -3.669 1.220 1.00 1.00 H new ATOM 0 HD21 LEU A 74 -13.741 -3.484 -1.038 1.00 1.00 H new ATOM 0 HD22 LEU A 74 -14.007 -4.346 0.496 1.00 1.00 H new ATOM 0 HD23 LEU A 74 -15.132 -3.063 -0.010 1.00 1.00 H new ATOM 1273 N PRO B 171 6.816 2.129 -7.501 1.00 1.00 N ATOM 1274 CA PRO B 171 5.705 2.331 -8.482 1.00 1.00 C ATOM 1275 C PRO B 171 4.779 3.463 -8.043 1.00 1.00 C ATOM 1276 O PRO B 171 5.013 4.105 -7.019 1.00 1.00 O ATOM 1277 CB PRO B 171 4.964 0.983 -8.484 1.00 1.00 C ATOM 1278 CG PRO B 171 5.262 0.377 -7.154 1.00 1.00 C ATOM 1279 CD PRO B 171 6.660 0.847 -6.786 1.00 1.00 C ATOM 0 HA PRO B 171 6.067 2.614 -9.470 1.00 1.00 H new ATOM 0 HB2 PRO B 171 3.892 1.122 -8.623 1.00 1.00 H new ATOM 0 HB3 PRO B 171 5.310 0.343 -9.296 1.00 1.00 H new ATOM 0 HG2 PRO B 171 4.534 0.695 -6.408 1.00 1.00 H new ATOM 0 HG3 PRO B 171 5.215 -0.711 -7.201 1.00 1.00 H new ATOM 0 HD2 PRO B 171 6.765 0.977 -5.709 1.00 1.00 H new ATOM 0 HD3 PRO B 171 7.416 0.125 -7.095 1.00 1.00 H new ATOM 1287 N GLU B 172 3.718 3.696 -8.821 1.00 1.00 N ATOM 1288 CA GLU B 172 2.749 4.740 -8.509 1.00 1.00 C ATOM 1289 C GLU B 172 1.365 4.134 -8.354 1.00 1.00 C ATOM 1290 O GLU B 172 0.867 3.448 -9.249 1.00 1.00 O ATOM 1291 CB GLU B 172 2.728 5.781 -9.620 1.00 1.00 C ATOM 1292 CG GLU B 172 1.863 6.964 -9.194 1.00 1.00 C ATOM 1293 CD GLU B 172 2.558 7.744 -8.082 1.00 1.00 C ATOM 1294 OE1 GLU B 172 3.711 7.448 -7.808 1.00 1.00 O ATOM 1295 OE2 GLU B 172 1.931 8.629 -7.525 1.00 1.00 O ATOM 0 H GLU B 172 3.512 3.173 -9.672 1.00 1.00 H new ATOM 0 HA GLU B 172 3.038 5.219 -7.574 1.00 1.00 H new ATOM 0 HB2 GLU B 172 3.742 6.118 -9.836 1.00 1.00 H new ATOM 0 HB3 GLU B 172 2.335 5.342 -10.537 1.00 1.00 H new ATOM 0 HG2 GLU B 172 1.679 7.617 -10.047 1.00 1.00 H new ATOM 0 HG3 GLU B 172 0.892 6.609 -8.849 1.00 1.00 H new ATOM 1302 N VAL B 173 0.759 4.380 -7.205 1.00 1.00 N ATOM 1303 CA VAL B 173 -0.563 3.837 -6.929 1.00 1.00 C ATOM 1304 C VAL B 173 -1.549 4.214 -8.050 1.00 1.00 C ATOM 1305 O VAL B 173 -1.582 5.365 -8.491 1.00 1.00 O ATOM 1306 CB VAL B 173 -1.088 4.354 -5.560 1.00 1.00 C ATOM 1307 CG1 VAL B 173 -0.846 3.311 -4.461 1.00 1.00 C ATOM 1308 CG2 VAL B 173 -0.350 5.639 -5.185 1.00 1.00 C ATOM 0 H VAL B 173 1.155 4.946 -6.454 1.00 1.00 H new ATOM 0 HA VAL B 173 -0.483 2.751 -6.887 1.00 1.00 H new ATOM 0 HB VAL B 173 -2.158 4.542 -5.649 1.00 1.00 H new ATOM 0 HG11 VAL B 173 -1.220 3.691 -3.510 1.00 1.00 H new ATOM 0 HG12 VAL B 173 -1.368 2.388 -4.714 1.00 1.00 H new ATOM 0 HG13 VAL B 173 0.222 3.112 -4.377 1.00 1.00 H new ATOM 0 HG21 VAL B 173 -0.717 6.003 -4.225 1.00 1.00 H new ATOM 0 HG22 VAL B 173 0.719 5.437 -5.112 1.00 1.00 H new ATOM 0 HG23 VAL B 173 -0.524 6.395 -5.950 1.00 1.00 H new ATOM 1318 N PRO B 174 -2.355 3.280 -8.502 1.00 1.00 N ATOM 1319 CA PRO B 174 -3.357 3.553 -9.575 1.00 1.00 C ATOM 1320 C PRO B 174 -4.535 4.383 -9.060 1.00 1.00 C ATOM 1321 O PRO B 174 -5.073 4.114 -7.987 1.00 1.00 O ATOM 1322 CB PRO B 174 -3.805 2.146 -10.000 1.00 1.00 C ATOM 1323 CG PRO B 174 -3.611 1.285 -8.803 1.00 1.00 C ATOM 1324 CD PRO B 174 -2.424 1.877 -8.053 1.00 1.00 C ATOM 0 HA PRO B 174 -2.945 4.140 -10.396 1.00 1.00 H new ATOM 0 HB2 PRO B 174 -4.848 2.146 -10.318 1.00 1.00 H new ATOM 0 HB3 PRO B 174 -3.215 1.785 -10.842 1.00 1.00 H new ATOM 0 HG2 PRO B 174 -4.504 1.277 -8.178 1.00 1.00 H new ATOM 0 HG3 PRO B 174 -3.415 0.252 -9.092 1.00 1.00 H new ATOM 0 HD2 PRO B 174 -2.567 1.814 -6.974 1.00 1.00 H new ATOM 0 HD3 PRO B 174 -1.503 1.342 -8.285 1.00 1.00 H new