USER MOD reduce.3.24.130724 H: found=0, std=0, add=644, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 655 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 Single : S 1 MET CE :methyl 159:sc= -0.0711 (180deg=-0.514) USER MOD Single : S 1 MET N :NH3+ -167:sc= 0 (180deg=-0.199) USER MOD Single : S 3 LYS NZ :NH3+ -126:sc= 0 (180deg=-0.00189) USER MOD Single : S 4 ASN : amide:sc= 0.785 K(o=0.78,f=-0.096) USER MOD Single : S 7 LYS NZ :NH3+ -138:sc= 0 (180deg=-0.267) USER MOD Single : S 10 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : S 11 THR OG1 : rot 180:sc= 0 USER MOD Single : S 13 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : S 15 LYS NZ :NH3+ -157:sc= -0.0451 (180deg=-0.321) USER MOD Single : S 17 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : S 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : S 31 TYR OH : rot 180:sc= 0 USER MOD Single : S 32 ASN : amide:sc= -0.0509 X(o=-0.051,f=0) USER MOD Single : S 33 MET CE :methyl -156:sc= -0.286 (180deg=-1.07) USER MOD Single : S 44 GLN : amide:sc= -3! C(o=-3!,f=-4.5!) USER MOD Single : S 47 HIS : no HD1:sc= -0.0951 K(o=-0.095,f=-1.9) USER MOD Single : S 50 SER OG : rot 180:sc= 0 USER MOD Single : S 59 HIS : no HE2:sc= -3.75 K(o=-3.7,f=-8.4!) USER MOD Single : S 63 SER OG : rot -47:sc= 1.24 USER MOD Single : S 65 ASN : amide:sc= -0.445 K(o=-0.45,f=-5.2!) USER MOD Single : S 67 SER OG : rot 180:sc= 0 USER MOD Single : S 71 TYR OH : rot 180:sc= 0 USER MOD Single : S 74 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0239) USER MOD Single : S 76 LYS NZ :NH3+ -154:sc= -0.286 (180deg=-1.07) USER MOD ----------------------------------------------------------------- ATOM 1 N MET S 1 -6.206 22.161 -15.331 1.00 0.00 N ATOM 2 CA MET S 1 -6.990 22.448 -16.528 1.00 0.00 C ATOM 3 C MET S 1 -6.537 21.552 -17.696 1.00 0.00 C ATOM 4 O MET S 1 -7.237 20.622 -18.056 1.00 0.00 O ATOM 5 CB MET S 1 -7.009 23.945 -16.881 1.00 0.00 C ATOM 6 CG MET S 1 -7.657 24.787 -15.771 1.00 0.00 C ATOM 7 SD MET S 1 -7.792 26.520 -16.242 1.00 0.00 S ATOM 8 CE MET S 1 -9.092 26.381 -17.484 1.00 0.00 C ATOM 0 H1 MET S 1 -6.658 22.603 -14.505 1.00 0.00 H new ATOM 0 H2 MET S 1 -6.155 21.132 -15.188 1.00 0.00 H new ATOM 0 H3 MET S 1 -5.245 22.543 -15.445 1.00 0.00 H new ATOM 0 HA MET S 1 -8.030 22.201 -16.315 1.00 0.00 H new ATOM 0 HB2 MET S 1 -5.989 24.291 -17.051 1.00 0.00 H new ATOM 0 HB3 MET S 1 -7.555 24.091 -17.813 1.00 0.00 H new ATOM 0 HG2 MET S 1 -8.648 24.393 -15.547 1.00 0.00 H new ATOM 0 HG3 MET S 1 -7.066 24.703 -14.859 1.00 0.00 H new ATOM 0 HE1 MET S 1 -9.570 27.351 -17.621 1.00 0.00 H new ATOM 0 HE2 MET S 1 -8.659 26.053 -18.429 1.00 0.00 H new ATOM 0 HE3 MET S 1 -9.834 25.654 -17.154 1.00 0.00 H new ATOM 20 N LEU S 2 -5.330 21.845 -18.228 1.00 0.00 N ATOM 21 CA LEU S 2 -4.805 21.065 -19.358 1.00 0.00 C ATOM 22 C LEU S 2 -3.630 20.182 -18.914 1.00 0.00 C ATOM 23 O LEU S 2 -3.596 18.980 -19.147 1.00 0.00 O ATOM 24 CB LEU S 2 -4.393 22.043 -20.475 1.00 0.00 C ATOM 25 CG LEU S 2 -3.805 21.415 -21.759 1.00 0.00 C ATOM 26 CD1 LEU S 2 -2.318 21.044 -21.638 1.00 0.00 C ATOM 27 CD2 LEU S 2 -4.636 20.234 -22.280 1.00 0.00 C ATOM 0 H LEU S 2 -4.720 22.594 -17.901 1.00 0.00 H new ATOM 0 HA LEU S 2 -5.575 20.393 -19.737 1.00 0.00 H new ATOM 0 HB2 LEU S 2 -5.267 22.632 -20.753 1.00 0.00 H new ATOM 0 HB3 LEU S 2 -3.658 22.737 -20.067 1.00 0.00 H new ATOM 0 HG LEU S 2 -3.865 22.207 -22.506 1.00 0.00 H new ATOM 0 HD11 LEU S 2 -1.974 20.609 -22.576 1.00 0.00 H new ATOM 0 HD12 LEU S 2 -1.736 21.939 -21.418 1.00 0.00 H new ATOM 0 HD13 LEU S 2 -2.188 20.320 -20.833 1.00 0.00 H new ATOM 0 HD21 LEU S 2 -4.174 19.834 -23.183 1.00 0.00 H new ATOM 0 HD22 LEU S 2 -4.678 19.455 -21.519 1.00 0.00 H new ATOM 0 HD23 LEU S 2 -5.646 20.573 -22.509 1.00 0.00 H new ATOM 39 N LYS S 3 -2.653 20.866 -18.279 1.00 0.00 N ATOM 40 CA LYS S 3 -1.327 20.287 -18.061 1.00 0.00 C ATOM 41 C LYS S 3 -1.360 18.870 -17.457 1.00 0.00 C ATOM 42 O LYS S 3 -0.574 18.013 -17.831 1.00 0.00 O ATOM 43 CB LYS S 3 -0.490 21.224 -17.172 1.00 0.00 C ATOM 44 CG LYS S 3 1.020 20.920 -17.208 1.00 0.00 C ATOM 45 CD LYS S 3 1.822 21.822 -18.158 1.00 0.00 C ATOM 46 CE LYS S 3 1.410 21.718 -19.633 1.00 0.00 C ATOM 47 NZ LYS S 3 1.665 20.400 -20.221 1.00 0.00 N ATOM 0 H LYS S 3 -2.765 21.812 -17.914 1.00 0.00 H new ATOM 0 HA LYS S 3 -0.867 20.185 -19.044 1.00 0.00 H new ATOM 0 HB2 LYS S 3 -0.653 22.254 -17.489 1.00 0.00 H new ATOM 0 HB3 LYS S 3 -0.843 21.148 -16.144 1.00 0.00 H new ATOM 0 HG2 LYS S 3 1.424 21.022 -16.201 1.00 0.00 H new ATOM 0 HG3 LYS S 3 1.163 19.881 -17.505 1.00 0.00 H new ATOM 0 HD2 LYS S 3 1.712 22.857 -17.835 1.00 0.00 H new ATOM 0 HD3 LYS S 3 2.879 21.572 -18.071 1.00 0.00 H new ATOM 0 HE2 LYS S 3 0.348 21.947 -19.722 1.00 0.00 H new ATOM 0 HE3 LYS S 3 1.948 22.473 -20.206 1.00 0.00 H new ATOM 0 HZ1 LYS S 3 2.237 20.509 -21.083 1.00 0.00 H new ATOM 0 HZ2 LYS S 3 2.178 19.808 -19.537 1.00 0.00 H new ATOM 0 HZ3 LYS S 3 0.761 19.946 -20.461 1.00 0.00 H new ATOM 61 N ASN S 4 -2.287 18.710 -16.492 1.00 0.00 N ATOM 62 CA ASN S 4 -2.672 17.432 -15.881 1.00 0.00 C ATOM 63 C ASN S 4 -1.546 16.655 -15.148 1.00 0.00 C ATOM 64 O ASN S 4 -1.801 15.619 -14.547 1.00 0.00 O ATOM 65 CB ASN S 4 -3.504 16.552 -16.836 1.00 0.00 C ATOM 66 CG ASN S 4 -2.666 15.737 -17.830 1.00 0.00 C ATOM 67 OD1 ASN S 4 -2.148 14.681 -17.503 1.00 0.00 O ATOM 68 ND2 ASN S 4 -2.607 16.258 -19.060 1.00 0.00 N ATOM 0 H ASN S 4 -2.805 19.499 -16.106 1.00 0.00 H new ATOM 0 HA ASN S 4 -3.326 17.725 -15.060 1.00 0.00 H new ATOM 0 HB2 ASN S 4 -4.113 15.868 -16.244 1.00 0.00 H new ATOM 0 HB3 ASN S 4 -4.191 17.189 -17.393 1.00 0.00 H new ATOM 0 HD21 ASN S 4 -2.104 15.766 -19.798 1.00 0.00 H new ATOM 0 HD22 ASN S 4 -3.065 17.147 -19.260 1.00 0.00 H new ATOM 75 N LEU S 5 -0.326 17.228 -15.159 1.00 0.00 N ATOM 76 CA LEU S 5 0.839 16.634 -14.504 1.00 0.00 C ATOM 77 C LEU S 5 0.588 16.347 -13.005 1.00 0.00 C ATOM 78 O LEU S 5 1.067 15.369 -12.443 1.00 0.00 O ATOM 79 CB LEU S 5 2.040 17.580 -14.702 1.00 0.00 C ATOM 80 CG LEU S 5 2.548 17.638 -16.158 1.00 0.00 C ATOM 81 CD1 LEU S 5 3.603 18.737 -16.349 1.00 0.00 C ATOM 82 CD2 LEU S 5 3.104 16.286 -16.617 1.00 0.00 C ATOM 0 H LEU S 5 -0.129 18.114 -15.624 1.00 0.00 H new ATOM 0 HA LEU S 5 1.048 15.666 -14.960 1.00 0.00 H new ATOM 0 HB2 LEU S 5 1.757 18.584 -14.385 1.00 0.00 H new ATOM 0 HB3 LEU S 5 2.856 17.259 -14.054 1.00 0.00 H new ATOM 0 HG LEU S 5 1.686 17.882 -16.779 1.00 0.00 H new ATOM 0 HD11 LEU S 5 3.936 18.746 -17.387 1.00 0.00 H new ATOM 0 HD12 LEU S 5 3.169 19.705 -16.099 1.00 0.00 H new ATOM 0 HD13 LEU S 5 4.454 18.541 -15.697 1.00 0.00 H new ATOM 0 HD21 LEU S 5 3.452 16.366 -17.647 1.00 0.00 H new ATOM 0 HD22 LEU S 5 3.936 15.998 -15.974 1.00 0.00 H new ATOM 0 HD23 LEU S 5 2.320 15.531 -16.557 1.00 0.00 H new ATOM 94 N ALA S 6 -0.232 17.234 -12.404 1.00 0.00 N ATOM 95 CA ALA S 6 -0.586 17.080 -10.993 1.00 0.00 C ATOM 96 C ALA S 6 -1.346 15.767 -10.697 1.00 0.00 C ATOM 97 O ALA S 6 -1.404 15.314 -9.563 1.00 0.00 O ATOM 98 CB ALA S 6 -1.432 18.276 -10.543 1.00 0.00 C ATOM 0 H ALA S 6 -0.648 18.042 -12.866 1.00 0.00 H new ATOM 0 HA ALA S 6 0.349 17.038 -10.434 1.00 0.00 H new ATOM 0 HB1 ALA S 6 -1.695 18.160 -9.492 1.00 0.00 H new ATOM 0 HB2 ALA S 6 -0.862 19.195 -10.675 1.00 0.00 H new ATOM 0 HB3 ALA S 6 -2.342 18.324 -11.142 1.00 0.00 H new ATOM 104 N LYS S 7 -1.937 15.199 -11.767 1.00 0.00 N ATOM 105 CA LYS S 7 -2.714 13.974 -11.637 1.00 0.00 C ATOM 106 C LYS S 7 -1.772 12.761 -11.554 1.00 0.00 C ATOM 107 O LYS S 7 -1.798 11.980 -10.613 1.00 0.00 O ATOM 108 CB LYS S 7 -3.655 13.846 -12.848 1.00 0.00 C ATOM 109 CG LYS S 7 -4.857 12.924 -12.584 1.00 0.00 C ATOM 110 CD LYS S 7 -5.536 12.405 -13.864 1.00 0.00 C ATOM 111 CE LYS S 7 -5.697 13.468 -14.957 1.00 0.00 C ATOM 112 NZ LYS S 7 -6.430 14.640 -14.483 1.00 0.00 N ATOM 0 H LYS S 7 -1.886 15.572 -12.715 1.00 0.00 H new ATOM 0 HA LYS S 7 -3.308 14.008 -10.724 1.00 0.00 H new ATOM 0 HB2 LYS S 7 -4.018 14.836 -13.125 1.00 0.00 H new ATOM 0 HB3 LYS S 7 -3.092 13.464 -13.699 1.00 0.00 H new ATOM 0 HG2 LYS S 7 -4.526 12.073 -11.989 1.00 0.00 H new ATOM 0 HG3 LYS S 7 -5.592 13.463 -11.987 1.00 0.00 H new ATOM 0 HD2 LYS S 7 -4.953 11.575 -14.262 1.00 0.00 H new ATOM 0 HD3 LYS S 7 -6.519 12.010 -13.607 1.00 0.00 H new ATOM 0 HE2 LYS S 7 -4.713 13.775 -15.310 1.00 0.00 H new ATOM 0 HE3 LYS S 7 -6.220 13.034 -15.809 1.00 0.00 H new ATOM 0 HZ1 LYS S 7 -7.102 14.948 -15.214 1.00 0.00 H new ATOM 0 HZ2 LYS S 7 -6.950 14.397 -13.615 1.00 0.00 H new ATOM 0 HZ3 LYS S 7 -5.761 15.410 -14.281 1.00 0.00 H new ATOM 126 N LEU S 8 -0.944 12.662 -12.618 1.00 0.00 N ATOM 127 CA LEU S 8 -0.049 11.512 -12.747 1.00 0.00 C ATOM 128 C LEU S 8 0.994 11.486 -11.633 1.00 0.00 C ATOM 129 O LEU S 8 1.471 10.429 -11.255 1.00 0.00 O ATOM 130 CB LEU S 8 0.650 11.492 -14.121 1.00 0.00 C ATOM 131 CG LEU S 8 1.556 12.706 -14.423 1.00 0.00 C ATOM 132 CD1 LEU S 8 2.997 12.577 -13.882 1.00 0.00 C ATOM 133 CD2 LEU S 8 1.608 12.967 -15.930 1.00 0.00 C ATOM 0 H LEU S 8 -0.883 13.345 -13.373 1.00 0.00 H new ATOM 0 HA LEU S 8 -0.669 10.619 -12.661 1.00 0.00 H new ATOM 0 HB2 LEU S 8 1.251 10.586 -14.190 1.00 0.00 H new ATOM 0 HB3 LEU S 8 -0.113 11.428 -14.897 1.00 0.00 H new ATOM 0 HG LEU S 8 1.100 13.544 -13.896 1.00 0.00 H new ATOM 0 HD11 LEU S 8 3.563 13.472 -14.138 1.00 0.00 H new ATOM 0 HD12 LEU S 8 2.970 12.463 -12.798 1.00 0.00 H new ATOM 0 HD13 LEU S 8 3.476 11.705 -14.327 1.00 0.00 H new ATOM 0 HD21 LEU S 8 2.250 13.825 -16.129 1.00 0.00 H new ATOM 0 HD22 LEU S 8 2.008 12.089 -16.438 1.00 0.00 H new ATOM 0 HD23 LEU S 8 0.603 13.173 -16.299 1.00 0.00 H new ATOM 145 N ASP S 9 1.320 12.724 -11.189 1.00 0.00 N ATOM 146 CA ASP S 9 2.251 13.073 -10.117 1.00 0.00 C ATOM 147 C ASP S 9 3.018 11.874 -9.544 1.00 0.00 C ATOM 148 O ASP S 9 2.437 10.990 -8.931 1.00 0.00 O ATOM 149 CB ASP S 9 1.461 13.753 -8.982 1.00 0.00 C ATOM 150 CG ASP S 9 2.074 15.085 -8.556 1.00 0.00 C ATOM 151 OD1 ASP S 9 2.385 15.349 -7.438 1.00 0.00 O ATOM 152 OD2 ASP S 9 2.248 15.921 -9.597 1.00 0.00 O ATOM 0 H ASP S 9 0.903 13.556 -11.608 1.00 0.00 H new ATOM 0 HA ASP S 9 2.998 13.738 -10.550 1.00 0.00 H new ATOM 0 HB2 ASP S 9 0.434 13.918 -9.307 1.00 0.00 H new ATOM 0 HB3 ASP S 9 1.420 13.085 -8.122 1.00 0.00 H new ATOM 158 N GLN S 10 4.350 11.912 -9.716 1.00 0.00 N ATOM 159 CA GLN S 10 5.176 10.779 -9.293 1.00 0.00 C ATOM 160 C GLN S 10 4.839 10.303 -7.852 1.00 0.00 C ATOM 161 O GLN S 10 4.865 9.120 -7.547 1.00 0.00 O ATOM 162 CB GLN S 10 6.673 11.113 -9.464 1.00 0.00 C ATOM 163 CG GLN S 10 6.961 11.994 -10.700 1.00 0.00 C ATOM 164 CD GLN S 10 8.445 12.011 -11.088 1.00 0.00 C ATOM 165 OE1 GLN S 10 8.817 11.684 -12.203 1.00 0.00 O ATOM 166 NE2 GLN S 10 9.269 12.424 -10.120 1.00 0.00 N ATOM 0 H GLN S 10 4.861 12.691 -10.132 1.00 0.00 H new ATOM 0 HA GLN S 10 4.943 9.936 -9.943 1.00 0.00 H new ATOM 0 HB2 GLN S 10 7.029 11.625 -8.570 1.00 0.00 H new ATOM 0 HB3 GLN S 10 7.239 10.185 -9.547 1.00 0.00 H new ATOM 0 HG2 GLN S 10 6.374 11.631 -11.544 1.00 0.00 H new ATOM 0 HG3 GLN S 10 6.632 13.013 -10.498 1.00 0.00 H new ATOM 0 HE21 GLN S 10 8.894 12.684 -9.208 1.00 0.00 H new ATOM 0 HE22 GLN S 10 10.273 12.480 -10.294 1.00 0.00 H new ATOM 175 N THR S 11 4.477 11.294 -7.008 1.00 0.00 N ATOM 176 CA THR S 11 4.063 11.015 -5.631 1.00 0.00 C ATOM 177 C THR S 11 2.701 10.263 -5.563 1.00 0.00 C ATOM 178 O THR S 11 2.528 9.312 -4.808 1.00 0.00 O ATOM 179 CB THR S 11 4.109 12.330 -4.812 1.00 0.00 C ATOM 180 OG1 THR S 11 4.573 12.017 -3.508 1.00 0.00 O ATOM 181 CG2 THR S 11 2.774 13.096 -4.736 1.00 0.00 C ATOM 0 H THR S 11 4.466 12.282 -7.260 1.00 0.00 H new ATOM 0 HA THR S 11 4.766 10.320 -5.171 1.00 0.00 H new ATOM 0 HB THR S 11 4.784 13.008 -5.334 1.00 0.00 H new ATOM 0 HG1 THR S 11 4.613 12.835 -2.970 1.00 0.00 H new ATOM 0 HG21 THR S 11 2.907 14.001 -4.143 1.00 0.00 H new ATOM 0 HG22 THR S 11 2.451 13.366 -5.742 1.00 0.00 H new ATOM 0 HG23 THR S 11 2.018 12.464 -4.270 1.00 0.00 H new ATOM 189 N GLU S 12 1.751 10.731 -6.404 1.00 0.00 N ATOM 190 CA GLU S 12 0.422 10.123 -6.494 1.00 0.00 C ATOM 191 C GLU S 12 0.557 8.626 -6.830 1.00 0.00 C ATOM 192 O GLU S 12 0.044 7.753 -6.137 1.00 0.00 O ATOM 193 CB GLU S 12 -0.437 10.846 -7.562 1.00 0.00 C ATOM 194 CG GLU S 12 -0.953 12.230 -7.129 1.00 0.00 C ATOM 195 CD GLU S 12 -2.056 12.102 -6.077 1.00 0.00 C ATOM 196 OE1 GLU S 12 -1.898 12.291 -4.911 1.00 0.00 O ATOM 197 OE2 GLU S 12 -3.233 11.744 -6.624 1.00 0.00 O ATOM 0 H GLU S 12 1.889 11.528 -7.026 1.00 0.00 H new ATOM 0 HA GLU S 12 -0.080 10.226 -5.532 1.00 0.00 H new ATOM 0 HB2 GLU S 12 0.154 10.960 -8.471 1.00 0.00 H new ATOM 0 HB3 GLU S 12 -1.290 10.215 -7.813 1.00 0.00 H new ATOM 0 HG2 GLU S 12 -0.129 12.819 -6.727 1.00 0.00 H new ATOM 0 HG3 GLU S 12 -1.335 12.767 -7.997 1.00 0.00 H new ATOM 205 N MET S 13 1.307 8.381 -7.922 1.00 0.00 N ATOM 206 CA MET S 13 1.487 6.987 -8.320 1.00 0.00 C ATOM 207 C MET S 13 2.418 6.233 -7.354 1.00 0.00 C ATOM 208 O MET S 13 2.279 5.033 -7.167 1.00 0.00 O ATOM 209 CB MET S 13 1.969 6.881 -9.771 1.00 0.00 C ATOM 210 CG MET S 13 0.904 7.352 -10.770 1.00 0.00 C ATOM 211 SD MET S 13 -0.584 6.332 -10.698 1.00 0.00 S ATOM 212 CE MET S 13 -1.805 7.598 -11.094 1.00 0.00 C ATOM 0 H MET S 13 1.766 9.081 -8.504 1.00 0.00 H new ATOM 0 HA MET S 13 0.512 6.503 -8.263 1.00 0.00 H new ATOM 0 HB2 MET S 13 2.872 7.478 -9.897 1.00 0.00 H new ATOM 0 HB3 MET S 13 2.237 5.847 -9.989 1.00 0.00 H new ATOM 0 HG2 MET S 13 0.643 8.390 -10.561 1.00 0.00 H new ATOM 0 HG3 MET S 13 1.315 7.324 -11.779 1.00 0.00 H new ATOM 0 HE1 MET S 13 -2.801 7.155 -11.098 1.00 0.00 H new ATOM 0 HE2 MET S 13 -1.763 8.390 -10.347 1.00 0.00 H new ATOM 0 HE3 MET S 13 -1.590 8.016 -12.078 1.00 0.00 H new ATOM 222 N ASP S 14 3.340 6.970 -6.701 1.00 0.00 N ATOM 223 CA ASP S 14 4.167 6.322 -5.677 1.00 0.00 C ATOM 224 C ASP S 14 3.271 5.644 -4.624 1.00 0.00 C ATOM 225 O ASP S 14 3.433 4.477 -4.284 1.00 0.00 O ATOM 226 CB ASP S 14 5.124 7.332 -5.017 1.00 0.00 C ATOM 227 CG ASP S 14 6.053 6.650 -4.006 1.00 0.00 C ATOM 228 OD1 ASP S 14 7.165 6.296 -4.240 1.00 0.00 O ATOM 229 OD2 ASP S 14 5.476 6.517 -2.796 1.00 0.00 O ATOM 0 H ASP S 14 3.522 7.962 -6.856 1.00 0.00 H new ATOM 0 HA ASP S 14 4.777 5.558 -6.159 1.00 0.00 H new ATOM 0 HB2 ASP S 14 5.720 7.825 -5.785 1.00 0.00 H new ATOM 0 HB3 ASP S 14 4.546 8.108 -4.515 1.00 0.00 H new ATOM 235 N LYS S 15 2.286 6.444 -4.173 1.00 0.00 N ATOM 236 CA LYS S 15 1.338 5.938 -3.190 1.00 0.00 C ATOM 237 C LYS S 15 0.632 4.669 -3.677 1.00 0.00 C ATOM 238 O LYS S 15 0.487 3.733 -2.901 1.00 0.00 O ATOM 239 CB LYS S 15 0.302 7.012 -2.828 1.00 0.00 C ATOM 240 CG LYS S 15 0.907 8.146 -1.994 1.00 0.00 C ATOM 241 CD LYS S 15 1.154 7.736 -0.529 1.00 0.00 C ATOM 242 CE LYS S 15 0.227 8.446 0.466 1.00 0.00 C ATOM 243 NZ LYS S 15 0.395 9.901 0.440 1.00 0.00 N ATOM 0 H LYS S 15 2.136 7.409 -4.467 1.00 0.00 H new ATOM 0 HA LYS S 15 1.909 5.681 -2.298 1.00 0.00 H new ATOM 0 HB2 LYS S 15 -0.125 7.424 -3.742 1.00 0.00 H new ATOM 0 HB3 LYS S 15 -0.516 6.552 -2.273 1.00 0.00 H new ATOM 0 HG2 LYS S 15 1.849 8.460 -2.443 1.00 0.00 H new ATOM 0 HG3 LYS S 15 0.239 9.007 -2.019 1.00 0.00 H new ATOM 0 HD2 LYS S 15 1.021 6.658 -0.433 1.00 0.00 H new ATOM 0 HD3 LYS S 15 2.190 7.953 -0.268 1.00 0.00 H new ATOM 0 HE2 LYS S 15 -0.809 8.198 0.235 1.00 0.00 H new ATOM 0 HE3 LYS S 15 0.426 8.077 1.472 1.00 0.00 H new ATOM 0 HZ1 LYS S 15 0.073 10.304 1.343 1.00 0.00 H new ATOM 0 HZ2 LYS S 15 1.399 10.132 0.296 1.00 0.00 H new ATOM 0 HZ3 LYS S 15 -0.168 10.302 -0.338 1.00 0.00 H new ATOM 257 N VAL S 16 0.205 4.689 -4.967 1.00 0.00 N ATOM 258 CA VAL S 16 -0.536 3.547 -5.517 1.00 0.00 C ATOM 259 C VAL S 16 0.375 2.307 -5.701 1.00 0.00 C ATOM 260 O VAL S 16 -0.054 1.165 -5.594 1.00 0.00 O ATOM 261 CB VAL S 16 -1.343 3.905 -6.790 1.00 0.00 C ATOM 262 CG1 VAL S 16 -0.590 3.707 -8.116 1.00 0.00 C ATOM 263 CG2 VAL S 16 -2.657 3.105 -6.838 1.00 0.00 C ATOM 0 H VAL S 16 0.359 5.459 -5.618 1.00 0.00 H new ATOM 0 HA VAL S 16 -1.286 3.273 -4.775 1.00 0.00 H new ATOM 0 HB VAL S 16 -1.534 4.975 -6.703 1.00 0.00 H new ATOM 0 HG11 VAL S 16 -1.238 3.984 -8.947 1.00 0.00 H new ATOM 0 HG12 VAL S 16 0.301 4.335 -8.126 1.00 0.00 H new ATOM 0 HG13 VAL S 16 -0.298 2.662 -8.216 1.00 0.00 H new ATOM 0 HG21 VAL S 16 -3.211 3.369 -7.739 1.00 0.00 H new ATOM 0 HG22 VAL S 16 -2.433 2.038 -6.849 1.00 0.00 H new ATOM 0 HG23 VAL S 16 -3.259 3.340 -5.960 1.00 0.00 H new ATOM 273 N ASN S 17 1.658 2.589 -5.973 1.00 0.00 N ATOM 274 CA ASN S 17 2.586 1.500 -6.262 1.00 0.00 C ATOM 275 C ASN S 17 2.895 0.695 -4.983 1.00 0.00 C ATOM 276 O ASN S 17 3.018 -0.524 -4.982 1.00 0.00 O ATOM 277 CB ASN S 17 3.858 2.089 -6.888 1.00 0.00 C ATOM 278 CG ASN S 17 4.678 0.983 -7.562 1.00 0.00 C ATOM 279 OD1 ASN S 17 4.391 0.567 -8.673 1.00 0.00 O ATOM 280 ND2 ASN S 17 5.704 0.525 -6.838 1.00 0.00 N ATOM 0 H ASN S 17 2.060 3.526 -5.998 1.00 0.00 H new ATOM 0 HA ASN S 17 2.136 0.805 -6.971 1.00 0.00 H new ATOM 0 HB2 ASN S 17 3.592 2.852 -7.620 1.00 0.00 H new ATOM 0 HB3 ASN S 17 4.457 2.579 -6.120 1.00 0.00 H new ATOM 0 HD21 ASN S 17 6.300 -0.215 -7.209 1.00 0.00 H new ATOM 0 HD22 ASN S 17 5.891 0.916 -5.914 1.00 0.00 H new ATOM 287 N VAL S 18 2.983 1.457 -3.879 1.00 0.00 N ATOM 288 CA VAL S 18 3.318 0.855 -2.589 1.00 0.00 C ATOM 289 C VAL S 18 2.306 -0.251 -2.182 1.00 0.00 C ATOM 290 O VAL S 18 2.660 -1.283 -1.620 1.00 0.00 O ATOM 291 CB VAL S 18 3.412 1.988 -1.547 1.00 0.00 C ATOM 292 CG1 VAL S 18 3.554 1.442 -0.123 1.00 0.00 C ATOM 293 CG2 VAL S 18 4.581 2.941 -1.856 1.00 0.00 C ATOM 0 H VAL S 18 2.830 2.465 -3.858 1.00 0.00 H new ATOM 0 HA VAL S 18 4.279 0.346 -2.654 1.00 0.00 H new ATOM 0 HB VAL S 18 2.478 2.546 -1.610 1.00 0.00 H new ATOM 0 HG11 VAL S 18 3.617 2.272 0.580 1.00 0.00 H new ATOM 0 HG12 VAL S 18 2.687 0.827 0.119 1.00 0.00 H new ATOM 0 HG13 VAL S 18 4.459 0.838 -0.053 1.00 0.00 H new ATOM 0 HG21 VAL S 18 4.618 3.727 -1.102 1.00 0.00 H new ATOM 0 HG22 VAL S 18 5.518 2.383 -1.845 1.00 0.00 H new ATOM 0 HG23 VAL S 18 4.436 3.388 -2.840 1.00 0.00 H new ATOM 303 N ASP S 19 1.024 0.024 -2.497 1.00 0.00 N ATOM 304 CA ASP S 19 -0.043 -0.911 -2.123 1.00 0.00 C ATOM 305 C ASP S 19 0.152 -2.244 -2.866 1.00 0.00 C ATOM 306 O ASP S 19 -0.072 -3.315 -2.318 1.00 0.00 O ATOM 307 CB ASP S 19 -1.495 -0.413 -2.393 1.00 0.00 C ATOM 308 CG ASP S 19 -1.732 1.087 -2.417 1.00 0.00 C ATOM 309 OD1 ASP S 19 -2.598 1.651 -1.831 1.00 0.00 O ATOM 310 OD2 ASP S 19 -0.887 1.701 -3.219 1.00 0.00 O ATOM 0 H ASP S 19 0.714 0.859 -2.993 1.00 0.00 H new ATOM 0 HA ASP S 19 0.049 -1.018 -1.042 1.00 0.00 H new ATOM 0 HB2 ASP S 19 -1.816 -0.819 -3.352 1.00 0.00 H new ATOM 0 HB3 ASP S 19 -2.145 -0.843 -1.631 1.00 0.00 H new ATOM 316 N LEU S 20 0.551 -2.118 -4.144 1.00 0.00 N ATOM 317 CA LEU S 20 0.763 -3.305 -4.973 1.00 0.00 C ATOM 318 C LEU S 20 1.828 -4.221 -4.334 1.00 0.00 C ATOM 319 O LEU S 20 1.639 -5.426 -4.203 1.00 0.00 O ATOM 320 CB LEU S 20 1.135 -2.864 -6.401 1.00 0.00 C ATOM 321 CG LEU S 20 -0.066 -2.537 -7.318 1.00 0.00 C ATOM 322 CD1 LEU S 20 -1.227 -1.818 -6.612 1.00 0.00 C ATOM 323 CD2 LEU S 20 0.403 -1.726 -8.534 1.00 0.00 C ATOM 0 H LEU S 20 0.728 -1.228 -4.611 1.00 0.00 H new ATOM 0 HA LEU S 20 -0.153 -3.892 -5.035 1.00 0.00 H new ATOM 0 HB2 LEU S 20 1.775 -1.984 -6.338 1.00 0.00 H new ATOM 0 HB3 LEU S 20 1.724 -3.654 -6.867 1.00 0.00 H new ATOM 0 HG LEU S 20 -0.467 -3.499 -7.637 1.00 0.00 H new ATOM 0 HD11 LEU S 20 -2.026 -1.627 -7.328 1.00 0.00 H new ATOM 0 HD12 LEU S 20 -1.606 -2.444 -5.804 1.00 0.00 H new ATOM 0 HD13 LEU S 20 -0.874 -0.872 -6.202 1.00 0.00 H new ATOM 0 HD21 LEU S 20 -0.451 -1.501 -9.173 1.00 0.00 H new ATOM 0 HD22 LEU S 20 0.859 -0.795 -8.197 1.00 0.00 H new ATOM 0 HD23 LEU S 20 1.135 -2.305 -9.097 1.00 0.00 H new ATOM 335 N ALA S 21 2.917 -3.569 -3.879 1.00 0.00 N ATOM 336 CA ALA S 21 3.946 -4.313 -3.150 1.00 0.00 C ATOM 337 C ALA S 21 3.363 -5.010 -1.897 1.00 0.00 C ATOM 338 O ALA S 21 3.625 -6.177 -1.628 1.00 0.00 O ATOM 339 CB ALA S 21 5.101 -3.376 -2.777 1.00 0.00 C ATOM 0 H ALA S 21 3.097 -2.572 -3.999 1.00 0.00 H new ATOM 0 HA ALA S 21 4.329 -5.098 -3.802 1.00 0.00 H new ATOM 0 HB1 ALA S 21 5.863 -3.936 -2.235 1.00 0.00 H new ATOM 0 HB2 ALA S 21 5.536 -2.956 -3.684 1.00 0.00 H new ATOM 0 HB3 ALA S 21 4.726 -2.569 -2.147 1.00 0.00 H new ATOM 345 N ALA S 22 2.521 -4.240 -1.173 1.00 0.00 N ATOM 346 CA ALA S 22 1.854 -4.780 0.016 1.00 0.00 C ATOM 347 C ALA S 22 1.037 -6.051 -0.314 1.00 0.00 C ATOM 348 O ALA S 22 1.045 -7.037 0.414 1.00 0.00 O ATOM 349 CB ALA S 22 0.969 -3.718 0.677 1.00 0.00 C ATOM 0 H ALA S 22 2.296 -3.269 -1.389 1.00 0.00 H new ATOM 0 HA ALA S 22 2.632 -5.066 0.724 1.00 0.00 H new ATOM 0 HB1 ALA S 22 0.485 -4.143 1.556 1.00 0.00 H new ATOM 0 HB2 ALA S 22 1.582 -2.868 0.976 1.00 0.00 H new ATOM 0 HB3 ALA S 22 0.209 -3.386 -0.030 1.00 0.00 H new ATOM 355 N ALA S 23 0.342 -5.970 -1.464 1.00 0.00 N ATOM 356 CA ALA S 23 -0.448 -7.100 -1.946 1.00 0.00 C ATOM 357 C ALA S 23 0.441 -8.326 -2.205 1.00 0.00 C ATOM 358 O ALA S 23 0.106 -9.452 -1.859 1.00 0.00 O ATOM 359 CB ALA S 23 -1.216 -6.700 -3.213 1.00 0.00 C ATOM 0 H ALA S 23 0.316 -5.145 -2.063 1.00 0.00 H new ATOM 0 HA ALA S 23 -1.167 -7.375 -1.174 1.00 0.00 H new ATOM 0 HB1 ALA S 23 -1.803 -7.548 -3.566 1.00 0.00 H new ATOM 0 HB2 ALA S 23 -1.882 -5.867 -2.987 1.00 0.00 H new ATOM 0 HB3 ALA S 23 -0.510 -6.400 -3.987 1.00 0.00 H new ATOM 365 N GLY S 24 1.615 -8.015 -2.784 1.00 0.00 N ATOM 366 CA GLY S 24 2.640 -9.030 -2.992 1.00 0.00 C ATOM 367 C GLY S 24 2.983 -9.787 -1.699 1.00 0.00 C ATOM 368 O GLY S 24 3.164 -10.994 -1.694 1.00 0.00 O ATOM 0 H GLY S 24 1.867 -7.081 -3.109 1.00 0.00 H new ATOM 0 HA2 GLY S 24 2.298 -9.739 -3.746 1.00 0.00 H new ATOM 0 HA3 GLY S 24 3.541 -8.558 -3.384 1.00 0.00 H new ATOM 372 N VAL S 25 3.017 -9.038 -0.582 1.00 0.00 N ATOM 373 CA VAL S 25 3.331 -9.692 0.694 1.00 0.00 C ATOM 374 C VAL S 25 2.217 -10.664 1.126 1.00 0.00 C ATOM 375 O VAL S 25 2.444 -11.635 1.835 1.00 0.00 O ATOM 376 CB VAL S 25 3.598 -8.660 1.806 1.00 0.00 C ATOM 377 CG1 VAL S 25 4.431 -9.280 2.939 1.00 0.00 C ATOM 378 CG2 VAL S 25 4.289 -7.421 1.244 1.00 0.00 C ATOM 0 H VAL S 25 2.841 -8.034 -0.536 1.00 0.00 H new ATOM 0 HA VAL S 25 4.242 -10.270 0.535 1.00 0.00 H new ATOM 0 HB VAL S 25 2.637 -8.354 2.219 1.00 0.00 H new ATOM 0 HG11 VAL S 25 4.607 -8.532 3.712 1.00 0.00 H new ATOM 0 HG12 VAL S 25 3.891 -10.125 3.367 1.00 0.00 H new ATOM 0 HG13 VAL S 25 5.387 -9.623 2.542 1.00 0.00 H new ATOM 0 HG21 VAL S 25 4.467 -6.707 2.048 1.00 0.00 H new ATOM 0 HG22 VAL S 25 5.241 -7.707 0.796 1.00 0.00 H new ATOM 0 HG23 VAL S 25 3.654 -6.963 0.486 1.00 0.00 H new ATOM 388 N ALA S 26 0.996 -10.361 0.654 1.00 0.00 N ATOM 389 CA ALA S 26 -0.138 -11.235 0.935 1.00 0.00 C ATOM 390 C ALA S 26 -0.015 -12.581 0.179 1.00 0.00 C ATOM 391 O ALA S 26 -0.646 -13.579 0.516 1.00 0.00 O ATOM 392 CB ALA S 26 -1.435 -10.487 0.602 1.00 0.00 C ATOM 0 H ALA S 26 0.779 -9.538 0.091 1.00 0.00 H new ATOM 0 HA ALA S 26 -0.151 -11.492 1.994 1.00 0.00 H new ATOM 0 HB1 ALA S 26 -2.290 -11.131 0.808 1.00 0.00 H new ATOM 0 HB2 ALA S 26 -1.503 -9.587 1.213 1.00 0.00 H new ATOM 0 HB3 ALA S 26 -1.435 -10.211 -0.452 1.00 0.00 H new ATOM 398 N PHE S 27 0.882 -12.565 -0.830 1.00 0.00 N ATOM 399 CA PHE S 27 1.266 -13.784 -1.533 1.00 0.00 C ATOM 400 C PHE S 27 2.049 -14.748 -0.607 1.00 0.00 C ATOM 401 O PHE S 27 2.328 -15.876 -0.978 1.00 0.00 O ATOM 402 CB PHE S 27 2.072 -13.400 -2.790 1.00 0.00 C ATOM 403 CG PHE S 27 2.055 -14.446 -3.871 1.00 0.00 C ATOM 404 CD1 PHE S 27 1.001 -14.496 -4.777 1.00 0.00 C ATOM 405 CD2 PHE S 27 3.094 -15.364 -3.989 1.00 0.00 C ATOM 406 CE1 PHE S 27 0.978 -15.454 -5.783 1.00 0.00 C ATOM 407 CE2 PHE S 27 3.076 -16.320 -4.996 1.00 0.00 C ATOM 408 CZ PHE S 27 2.017 -16.368 -5.892 1.00 0.00 C ATOM 0 H PHE S 27 1.345 -11.721 -1.166 1.00 0.00 H new ATOM 0 HA PHE S 27 0.372 -14.325 -1.842 1.00 0.00 H new ATOM 0 HB2 PHE S 27 1.674 -12.469 -3.194 1.00 0.00 H new ATOM 0 HB3 PHE S 27 3.105 -13.207 -2.502 1.00 0.00 H new ATOM 0 HD1 PHE S 27 0.193 -13.784 -4.698 1.00 0.00 H new ATOM 0 HD2 PHE S 27 3.919 -15.333 -3.293 1.00 0.00 H new ATOM 0 HE1 PHE S 27 0.153 -15.488 -6.479 1.00 0.00 H new ATOM 0 HE2 PHE S 27 3.887 -17.027 -5.082 1.00 0.00 H new ATOM 0 HZ PHE S 27 2.001 -17.115 -6.672 1.00 0.00 H new ATOM 418 N LYS S 28 2.341 -14.290 0.633 1.00 0.00 N ATOM 419 CA LYS S 28 2.919 -15.173 1.646 1.00 0.00 C ATOM 420 C LYS S 28 2.054 -16.429 1.908 1.00 0.00 C ATOM 421 O LYS S 28 2.566 -17.460 2.317 1.00 0.00 O ATOM 422 CB LYS S 28 3.154 -14.400 2.954 1.00 0.00 C ATOM 423 CG LYS S 28 4.035 -15.161 3.963 1.00 0.00 C ATOM 424 CD LYS S 28 3.486 -15.159 5.394 1.00 0.00 C ATOM 425 CE LYS S 28 3.414 -13.757 6.013 1.00 0.00 C ATOM 426 NZ LYS S 28 3.748 -13.769 7.438 1.00 0.00 N ATOM 0 H LYS S 28 2.186 -13.331 0.942 1.00 0.00 H new ATOM 0 HA LYS S 28 3.874 -15.524 1.255 1.00 0.00 H new ATOM 0 HB2 LYS S 28 3.622 -13.443 2.723 1.00 0.00 H new ATOM 0 HB3 LYS S 28 2.191 -14.181 3.416 1.00 0.00 H new ATOM 0 HG2 LYS S 28 4.145 -16.192 3.628 1.00 0.00 H new ATOM 0 HG3 LYS S 28 5.031 -14.719 3.966 1.00 0.00 H new ATOM 0 HD2 LYS S 28 2.489 -15.601 5.394 1.00 0.00 H new ATOM 0 HD3 LYS S 28 4.116 -15.793 6.018 1.00 0.00 H new ATOM 0 HE2 LYS S 28 4.098 -13.092 5.486 1.00 0.00 H new ATOM 0 HE3 LYS S 28 2.411 -13.353 5.879 1.00 0.00 H new ATOM 0 HZ1 LYS S 28 3.687 -12.802 7.817 1.00 0.00 H new ATOM 0 HZ2 LYS S 28 3.080 -14.383 7.946 1.00 0.00 H new ATOM 0 HZ3 LYS S 28 4.715 -14.130 7.565 1.00 0.00 H new ATOM 440 N GLU S 29 0.731 -16.341 1.642 1.00 0.00 N ATOM 441 CA GLU S 29 -0.035 -17.593 1.746 1.00 0.00 C ATOM 442 C GLU S 29 0.452 -18.612 0.693 1.00 0.00 C ATOM 443 O GLU S 29 0.534 -19.809 0.925 1.00 0.00 O ATOM 444 CB GLU S 29 -1.537 -17.336 1.582 1.00 0.00 C ATOM 445 CG GLU S 29 -2.374 -18.608 1.823 1.00 0.00 C ATOM 446 CD GLU S 29 -3.854 -18.333 1.559 1.00 0.00 C ATOM 447 OE1 GLU S 29 -4.443 -18.690 0.589 1.00 0.00 O ATOM 448 OE2 GLU S 29 -4.409 -17.601 2.542 1.00 0.00 O ATOM 0 H GLU S 29 0.215 -15.502 1.379 1.00 0.00 H new ATOM 0 HA GLU S 29 0.132 -18.008 2.740 1.00 0.00 H new ATOM 0 HB2 GLU S 29 -1.850 -16.560 2.280 1.00 0.00 H new ATOM 0 HB3 GLU S 29 -1.732 -16.959 0.578 1.00 0.00 H new ATOM 0 HG2 GLU S 29 -2.025 -19.409 1.171 1.00 0.00 H new ATOM 0 HG3 GLU S 29 -2.239 -18.950 2.849 1.00 0.00 H new ATOM 456 N ARG S 30 0.803 -18.033 -0.464 1.00 0.00 N ATOM 457 CA ARG S 30 1.356 -18.762 -1.590 1.00 0.00 C ATOM 458 C ARG S 30 2.897 -18.861 -1.452 1.00 0.00 C ATOM 459 O ARG S 30 3.620 -18.918 -2.439 1.00 0.00 O ATOM 460 CB ARG S 30 0.940 -18.045 -2.893 1.00 0.00 C ATOM 461 CG ARG S 30 -0.573 -18.078 -3.183 1.00 0.00 C ATOM 462 CD ARG S 30 -1.409 -16.995 -2.472 1.00 0.00 C ATOM 463 NE ARG S 30 -1.644 -15.853 -3.351 1.00 0.00 N ATOM 464 CZ ARG S 30 -2.569 -14.904 -3.068 1.00 0.00 C ATOM 465 NH1 ARG S 30 -3.262 -14.964 -1.932 1.00 0.00 N ATOM 466 NH2 ARG S 30 -2.792 -13.916 -3.931 1.00 0.00 N ATOM 0 H ARG S 30 0.705 -17.032 -0.636 1.00 0.00 H new ATOM 0 HA ARG S 30 0.969 -19.781 -1.614 1.00 0.00 H new ATOM 0 HB2 ARG S 30 1.265 -17.006 -2.841 1.00 0.00 H new ATOM 0 HB3 ARG S 30 1.468 -18.503 -3.730 1.00 0.00 H new ATOM 0 HG2 ARG S 30 -0.721 -17.979 -4.258 1.00 0.00 H new ATOM 0 HG3 ARG S 30 -0.959 -19.056 -2.897 1.00 0.00 H new ATOM 0 HD2 ARG S 30 -2.363 -17.417 -2.155 1.00 0.00 H new ATOM 0 HD3 ARG S 30 -0.892 -16.665 -1.571 1.00 0.00 H new ATOM 0 HE ARG S 30 -1.094 -15.767 -4.206 1.00 0.00 H new ATOM 0 HH11 ARG S 30 -3.097 -15.725 -1.273 1.00 0.00 H new ATOM 0 HH12 ARG S 30 -3.958 -14.249 -1.721 1.00 0.00 H new ATOM 0 HH21 ARG S 30 -2.267 -13.874 -4.804 1.00 0.00 H new ATOM 0 HH22 ARG S 30 -3.488 -13.201 -3.719 1.00 0.00 H new ATOM 480 N TYR S 31 3.353 -18.937 -0.175 1.00 0.00 N ATOM 481 CA TYR S 31 4.767 -19.123 0.162 1.00 0.00 C ATOM 482 C TYR S 31 5.303 -20.506 -0.282 1.00 0.00 C ATOM 483 O TYR S 31 6.487 -20.803 -0.192 1.00 0.00 O ATOM 484 CB TYR S 31 4.976 -18.848 1.668 1.00 0.00 C ATOM 485 CG TYR S 31 6.322 -19.283 2.187 1.00 0.00 C ATOM 486 CD1 TYR S 31 7.428 -18.443 2.101 1.00 0.00 C ATOM 487 CD2 TYR S 31 6.479 -20.556 2.728 1.00 0.00 C ATOM 488 CE1 TYR S 31 8.674 -18.882 2.528 1.00 0.00 C ATOM 489 CE2 TYR S 31 7.724 -21.001 3.149 1.00 0.00 C ATOM 490 CZ TYR S 31 8.827 -20.159 3.049 1.00 0.00 C ATOM 491 OH TYR S 31 10.082 -20.563 3.459 1.00 0.00 O ATOM 0 H TYR S 31 2.743 -18.870 0.640 1.00 0.00 H new ATOM 0 HA TYR S 31 5.360 -18.401 -0.400 1.00 0.00 H new ATOM 0 HB2 TYR S 31 4.854 -17.781 1.853 1.00 0.00 H new ATOM 0 HB3 TYR S 31 4.197 -19.360 2.232 1.00 0.00 H new ATOM 0 HD1 TYR S 31 7.317 -17.446 1.701 1.00 0.00 H new ATOM 0 HD2 TYR S 31 5.621 -21.205 2.821 1.00 0.00 H new ATOM 0 HE1 TYR S 31 9.529 -18.226 2.454 1.00 0.00 H new ATOM 0 HE2 TYR S 31 7.836 -21.996 3.552 1.00 0.00 H new ATOM 0 HH TYR S 31 10.035 -21.480 3.802 1.00 0.00 H new ATOM 501 N ASN S 32 4.396 -21.333 -0.833 1.00 0.00 N ATOM 502 CA ASN S 32 4.888 -22.507 -1.554 1.00 0.00 C ATOM 503 C ASN S 32 5.820 -22.096 -2.725 1.00 0.00 C ATOM 504 O ASN S 32 6.623 -22.887 -3.202 1.00 0.00 O ATOM 505 CB ASN S 32 3.713 -23.357 -2.067 1.00 0.00 C ATOM 506 CG ASN S 32 2.747 -23.761 -0.944 1.00 0.00 C ATOM 507 OD1 ASN S 32 1.553 -23.514 -1.016 1.00 0.00 O ATOM 508 ND2 ASN S 32 3.316 -24.374 0.102 1.00 0.00 N ATOM 0 H ASN S 32 3.383 -21.219 -0.796 1.00 0.00 H new ATOM 0 HA ASN S 32 5.472 -23.109 -0.858 1.00 0.00 H new ATOM 0 HB2 ASN S 32 3.168 -22.797 -2.827 1.00 0.00 H new ATOM 0 HB3 ASN S 32 4.101 -24.254 -2.549 1.00 0.00 H new ATOM 0 HD21 ASN S 32 2.745 -24.662 0.897 1.00 0.00 H new ATOM 0 HD22 ASN S 32 4.320 -24.553 0.104 1.00 0.00 H new ATOM 515 N MET S 33 5.670 -20.814 -3.129 1.00 0.00 N ATOM 516 CA MET S 33 6.571 -20.138 -4.052 1.00 0.00 C ATOM 517 C MET S 33 7.258 -18.989 -3.259 1.00 0.00 C ATOM 518 O MET S 33 6.866 -18.687 -2.140 1.00 0.00 O ATOM 519 CB MET S 33 5.766 -19.633 -5.270 1.00 0.00 C ATOM 520 CG MET S 33 4.459 -20.390 -5.580 1.00 0.00 C ATOM 521 SD MET S 33 4.613 -22.189 -5.712 1.00 0.00 S ATOM 522 CE MET S 33 6.127 -22.343 -6.676 1.00 0.00 C ATOM 0 H MET S 33 4.903 -20.222 -2.810 1.00 0.00 H new ATOM 0 HA MET S 33 7.342 -20.802 -4.444 1.00 0.00 H new ATOM 0 HB2 MET S 33 5.524 -18.582 -5.110 1.00 0.00 H new ATOM 0 HB3 MET S 33 6.408 -19.682 -6.150 1.00 0.00 H new ATOM 0 HG2 MET S 33 3.733 -20.161 -4.800 1.00 0.00 H new ATOM 0 HG3 MET S 33 4.052 -20.008 -6.516 1.00 0.00 H new ATOM 0 HE1 MET S 33 6.133 -23.302 -7.193 1.00 0.00 H new ATOM 0 HE2 MET S 33 6.176 -21.536 -7.407 1.00 0.00 H new ATOM 0 HE3 MET S 33 6.989 -22.284 -6.012 1.00 0.00 H new ATOM 532 N PRO S 34 8.312 -18.356 -3.843 1.00 0.00 N ATOM 533 CA PRO S 34 9.169 -17.446 -3.076 1.00 0.00 C ATOM 534 C PRO S 34 8.525 -16.065 -2.819 1.00 0.00 C ATOM 535 O PRO S 34 8.098 -15.382 -3.742 1.00 0.00 O ATOM 536 CB PRO S 34 10.417 -17.305 -3.960 1.00 0.00 C ATOM 537 CG PRO S 34 9.925 -17.562 -5.387 1.00 0.00 C ATOM 538 CD PRO S 34 8.733 -18.511 -5.235 1.00 0.00 C ATOM 0 HA PRO S 34 9.371 -17.837 -2.079 1.00 0.00 H new ATOM 0 HB2 PRO S 34 10.856 -16.312 -3.867 1.00 0.00 H new ATOM 0 HB3 PRO S 34 11.187 -18.022 -3.673 1.00 0.00 H new ATOM 0 HG2 PRO S 34 9.629 -16.633 -5.875 1.00 0.00 H new ATOM 0 HG3 PRO S 34 10.708 -18.008 -5.999 1.00 0.00 H new ATOM 0 HD2 PRO S 34 7.929 -18.251 -5.923 1.00 0.00 H new ATOM 0 HD3 PRO S 34 9.017 -19.541 -5.451 1.00 0.00 H new ATOM 546 N VAL S 35 8.495 -15.687 -1.522 1.00 0.00 N ATOM 547 CA VAL S 35 7.986 -14.375 -1.114 1.00 0.00 C ATOM 548 C VAL S 35 8.864 -13.879 0.052 1.00 0.00 C ATOM 549 O VAL S 35 9.004 -14.565 1.056 1.00 0.00 O ATOM 550 CB VAL S 35 6.491 -14.447 -0.689 1.00 0.00 C ATOM 551 CG1 VAL S 35 5.652 -13.384 -1.406 1.00 0.00 C ATOM 552 CG2 VAL S 35 5.870 -15.838 -0.883 1.00 0.00 C ATOM 0 H VAL S 35 8.816 -16.272 -0.751 1.00 0.00 H new ATOM 0 HA VAL S 35 8.035 -13.682 -1.954 1.00 0.00 H new ATOM 0 HB VAL S 35 6.480 -14.242 0.382 1.00 0.00 H new ATOM 0 HG11 VAL S 35 4.613 -13.463 -1.085 1.00 0.00 H new ATOM 0 HG12 VAL S 35 6.033 -12.393 -1.160 1.00 0.00 H new ATOM 0 HG13 VAL S 35 5.712 -13.539 -2.483 1.00 0.00 H new ATOM 0 HG21 VAL S 35 4.827 -15.818 -0.567 1.00 0.00 H new ATOM 0 HG22 VAL S 35 5.925 -16.118 -1.935 1.00 0.00 H new ATOM 0 HG23 VAL S 35 6.416 -16.567 -0.284 1.00 0.00 H new ATOM 562 N ILE S 36 9.447 -12.672 -0.129 1.00 0.00 N ATOM 563 CA ILE S 36 10.351 -12.115 0.882 1.00 0.00 C ATOM 564 C ILE S 36 9.691 -10.899 1.554 1.00 0.00 C ATOM 565 O ILE S 36 9.739 -9.782 1.049 1.00 0.00 O ATOM 566 CB ILE S 36 11.706 -11.711 0.259 1.00 0.00 C ATOM 567 CG1 ILE S 36 12.286 -12.846 -0.607 1.00 0.00 C ATOM 568 CG2 ILE S 36 12.708 -11.280 1.350 1.00 0.00 C ATOM 569 CD1 ILE S 36 13.736 -12.603 -1.046 1.00 0.00 C ATOM 0 H ILE S 36 9.307 -12.082 -0.949 1.00 0.00 H new ATOM 0 HA ILE S 36 10.544 -12.883 1.631 1.00 0.00 H new ATOM 0 HB ILE S 36 11.529 -10.856 -0.393 1.00 0.00 H new ATOM 0 HG12 ILE S 36 12.236 -13.780 -0.048 1.00 0.00 H new ATOM 0 HG13 ILE S 36 11.663 -12.971 -1.493 1.00 0.00 H new ATOM 0 HG21 ILE S 36 13.654 -11.001 0.886 1.00 0.00 H new ATOM 0 HG22 ILE S 36 12.306 -10.427 1.897 1.00 0.00 H new ATOM 0 HG23 ILE S 36 12.873 -12.108 2.040 1.00 0.00 H new ATOM 0 HD11 ILE S 36 14.078 -13.442 -1.652 1.00 0.00 H new ATOM 0 HD12 ILE S 36 13.790 -11.686 -1.633 1.00 0.00 H new ATOM 0 HD13 ILE S 36 14.372 -12.508 -0.166 1.00 0.00 H new ATOM 581 N ALA S 37 9.141 -11.177 2.755 1.00 0.00 N ATOM 582 CA ALA S 37 8.515 -10.138 3.576 1.00 0.00 C ATOM 583 C ALA S 37 9.472 -8.961 3.881 1.00 0.00 C ATOM 584 O ALA S 37 9.066 -7.809 3.988 1.00 0.00 O ATOM 585 CB ALA S 37 8.003 -10.763 4.879 1.00 0.00 C ATOM 0 H ALA S 37 9.121 -12.109 3.169 1.00 0.00 H new ATOM 0 HA ALA S 37 7.683 -9.722 3.008 1.00 0.00 H new ATOM 0 HB1 ALA S 37 7.536 -9.993 5.493 1.00 0.00 H new ATOM 0 HB2 ALA S 37 7.271 -11.537 4.648 1.00 0.00 H new ATOM 0 HB3 ALA S 37 8.838 -11.205 5.423 1.00 0.00 H new ATOM 591 N GLU S 38 10.766 -9.321 3.986 1.00 0.00 N ATOM 592 CA GLU S 38 11.798 -8.310 4.209 1.00 0.00 C ATOM 593 C GLU S 38 11.879 -7.333 3.018 1.00 0.00 C ATOM 594 O GLU S 38 11.991 -6.126 3.185 1.00 0.00 O ATOM 595 CB GLU S 38 13.146 -9.004 4.535 1.00 0.00 C ATOM 596 CG GLU S 38 14.349 -8.644 3.634 1.00 0.00 C ATOM 597 CD GLU S 38 15.620 -9.368 4.087 1.00 0.00 C ATOM 598 OE1 GLU S 38 15.666 -10.165 4.971 1.00 0.00 O ATOM 599 OE2 GLU S 38 16.689 -8.998 3.356 1.00 0.00 O ATOM 0 H GLU S 38 11.108 -10.280 3.921 1.00 0.00 H new ATOM 0 HA GLU S 38 11.537 -7.698 5.073 1.00 0.00 H new ATOM 0 HB2 GLU S 38 13.410 -8.767 5.566 1.00 0.00 H new ATOM 0 HB3 GLU S 38 12.994 -10.082 4.485 1.00 0.00 H new ATOM 0 HG2 GLU S 38 14.125 -8.910 2.601 1.00 0.00 H new ATOM 0 HG3 GLU S 38 14.514 -7.567 3.657 1.00 0.00 H new ATOM 607 N ALA S 39 11.846 -7.931 1.809 1.00 0.00 N ATOM 608 CA ALA S 39 12.176 -7.159 0.619 1.00 0.00 C ATOM 609 C ALA S 39 11.107 -6.093 0.403 1.00 0.00 C ATOM 610 O ALA S 39 11.382 -4.906 0.387 1.00 0.00 O ATOM 611 CB ALA S 39 12.301 -8.078 -0.601 1.00 0.00 C ATOM 0 H ALA S 39 11.603 -8.908 1.645 1.00 0.00 H new ATOM 0 HA ALA S 39 13.140 -6.668 0.756 1.00 0.00 H new ATOM 0 HB1 ALA S 39 12.548 -7.483 -1.481 1.00 0.00 H new ATOM 0 HB2 ALA S 39 13.089 -8.811 -0.425 1.00 0.00 H new ATOM 0 HB3 ALA S 39 11.355 -8.594 -0.766 1.00 0.00 H new ATOM 617 N VAL S 40 9.872 -6.598 0.289 1.00 0.00 N ATOM 618 CA VAL S 40 8.689 -5.751 0.160 1.00 0.00 C ATOM 619 C VAL S 40 8.649 -4.635 1.230 1.00 0.00 C ATOM 620 O VAL S 40 8.438 -3.467 0.921 1.00 0.00 O ATOM 621 CB VAL S 40 7.444 -6.657 0.196 1.00 0.00 C ATOM 622 CG1 VAL S 40 7.290 -7.426 -1.128 1.00 0.00 C ATOM 623 CG2 VAL S 40 7.445 -7.609 1.409 1.00 0.00 C ATOM 0 H VAL S 40 9.670 -7.598 0.284 1.00 0.00 H new ATOM 0 HA VAL S 40 8.718 -5.222 -0.792 1.00 0.00 H new ATOM 0 HB VAL S 40 6.576 -6.009 0.315 1.00 0.00 H new ATOM 0 HG11 VAL S 40 6.404 -8.059 -1.080 1.00 0.00 H new ATOM 0 HG12 VAL S 40 7.185 -6.718 -1.950 1.00 0.00 H new ATOM 0 HG13 VAL S 40 8.171 -8.046 -1.293 1.00 0.00 H new ATOM 0 HG21 VAL S 40 6.547 -8.226 1.388 1.00 0.00 H new ATOM 0 HG22 VAL S 40 8.326 -8.249 1.368 1.00 0.00 H new ATOM 0 HG23 VAL S 40 7.463 -7.025 2.329 1.00 0.00 H new ATOM 633 N GLU S 41 8.894 -5.046 2.494 1.00 0.00 N ATOM 634 CA GLU S 41 8.908 -4.058 3.572 1.00 0.00 C ATOM 635 C GLU S 41 9.950 -2.953 3.309 1.00 0.00 C ATOM 636 O GLU S 41 9.683 -1.776 3.500 1.00 0.00 O ATOM 637 CB GLU S 41 9.132 -4.761 4.926 1.00 0.00 C ATOM 638 CG GLU S 41 9.046 -3.820 6.147 1.00 0.00 C ATOM 639 CD GLU S 41 10.326 -2.990 6.336 1.00 0.00 C ATOM 640 OE1 GLU S 41 11.410 -3.342 5.994 1.00 0.00 O ATOM 641 OE2 GLU S 41 10.077 -1.805 6.924 1.00 0.00 O ATOM 0 H GLU S 41 9.076 -6.009 2.776 1.00 0.00 H new ATOM 0 HA GLU S 41 7.938 -3.562 3.608 1.00 0.00 H new ATOM 0 HB2 GLU S 41 8.392 -5.553 5.039 1.00 0.00 H new ATOM 0 HB3 GLU S 41 10.112 -5.239 4.917 1.00 0.00 H new ATOM 0 HG2 GLU S 41 8.195 -3.149 6.027 1.00 0.00 H new ATOM 0 HG3 GLU S 41 8.862 -4.410 7.045 1.00 0.00 H new ATOM 649 N ARG S 42 11.138 -3.406 2.877 1.00 0.00 N ATOM 650 CA ARG S 42 12.261 -2.495 2.690 1.00 0.00 C ATOM 651 C ARG S 42 12.139 -1.693 1.375 1.00 0.00 C ATOM 652 O ARG S 42 12.752 -0.649 1.200 1.00 0.00 O ATOM 653 CB ARG S 42 13.545 -3.333 2.677 1.00 0.00 C ATOM 654 CG ARG S 42 14.834 -2.491 2.742 1.00 0.00 C ATOM 655 CD ARG S 42 15.952 -3.077 1.879 1.00 0.00 C ATOM 656 NE ARG S 42 15.536 -3.045 0.475 1.00 0.00 N ATOM 657 CZ ARG S 42 16.074 -3.845 -0.474 1.00 0.00 C ATOM 658 NH1 ARG S 42 17.079 -4.658 -0.154 1.00 0.00 N ATOM 659 NH2 ARG S 42 15.602 -3.826 -1.723 1.00 0.00 N ATOM 0 H ARG S 42 11.337 -4.382 2.656 1.00 0.00 H new ATOM 0 HA ARG S 42 12.274 -1.770 3.503 1.00 0.00 H new ATOM 0 HB2 ARG S 42 13.528 -4.021 3.522 1.00 0.00 H new ATOM 0 HB3 ARG S 42 13.563 -3.940 1.772 1.00 0.00 H new ATOM 0 HG2 ARG S 42 14.619 -1.474 2.413 1.00 0.00 H new ATOM 0 HG3 ARG S 42 15.172 -2.427 3.776 1.00 0.00 H new ATOM 0 HD2 ARG S 42 16.870 -2.505 2.013 1.00 0.00 H new ATOM 0 HD3 ARG S 42 16.167 -4.101 2.185 1.00 0.00 H new ATOM 0 HE ARG S 42 14.806 -2.388 0.200 1.00 0.00 H new ATOM 0 HH11 ARG S 42 17.438 -4.674 0.801 1.00 0.00 H new ATOM 0 HH12 ARG S 42 17.490 -5.264 -0.864 1.00 0.00 H new ATOM 0 HH21 ARG S 42 14.830 -3.205 -1.967 1.00 0.00 H new ATOM 0 HH22 ARG S 42 16.013 -4.432 -2.433 1.00 0.00 H new ATOM 673 N GLU S 43 11.340 -2.249 0.447 1.00 0.00 N ATOM 674 CA GLU S 43 11.093 -1.588 -0.828 1.00 0.00 C ATOM 675 C GLU S 43 10.222 -0.354 -0.597 1.00 0.00 C ATOM 676 O GLU S 43 10.356 0.670 -1.254 1.00 0.00 O ATOM 677 CB GLU S 43 10.387 -2.559 -1.793 1.00 0.00 C ATOM 678 CG GLU S 43 11.331 -3.581 -2.454 1.00 0.00 C ATOM 679 CD GLU S 43 12.392 -2.920 -3.341 1.00 0.00 C ATOM 680 OE1 GLU S 43 13.523 -3.302 -3.417 1.00 0.00 O ATOM 681 OE2 GLU S 43 11.928 -1.814 -3.957 1.00 0.00 O ATOM 0 H GLU S 43 10.864 -3.144 0.562 1.00 0.00 H new ATOM 0 HA GLU S 43 12.042 -1.283 -1.269 1.00 0.00 H new ATOM 0 HB2 GLU S 43 9.611 -3.096 -1.248 1.00 0.00 H new ATOM 0 HB3 GLU S 43 9.889 -1.983 -2.573 1.00 0.00 H new ATOM 0 HG2 GLU S 43 11.825 -4.167 -1.679 1.00 0.00 H new ATOM 0 HG3 GLU S 43 10.744 -4.276 -3.054 1.00 0.00 H new ATOM 689 N GLN S 44 9.323 -0.522 0.386 1.00 0.00 N ATOM 690 CA GLN S 44 8.491 0.603 0.754 1.00 0.00 C ATOM 691 C GLN S 44 9.343 1.667 1.498 1.00 0.00 C ATOM 692 O GLN S 44 10.050 1.354 2.448 1.00 0.00 O ATOM 693 CB GLN S 44 7.333 0.080 1.601 1.00 0.00 C ATOM 694 CG GLN S 44 6.243 1.139 1.760 1.00 0.00 C ATOM 695 CD GLN S 44 6.389 1.970 3.022 1.00 0.00 C ATOM 696 OE1 GLN S 44 7.356 1.912 3.765 1.00 0.00 O ATOM 697 NE2 GLN S 44 5.298 2.693 3.239 1.00 0.00 N ATOM 0 H GLN S 44 9.167 -1.384 0.909 1.00 0.00 H new ATOM 0 HA GLN S 44 8.078 1.095 -0.127 1.00 0.00 H new ATOM 0 HB2 GLN S 44 6.912 -0.812 1.136 1.00 0.00 H new ATOM 0 HB3 GLN S 44 7.702 -0.216 2.583 1.00 0.00 H new ATOM 0 HG2 GLN S 44 6.261 1.801 0.894 1.00 0.00 H new ATOM 0 HG3 GLN S 44 5.269 0.649 1.767 1.00 0.00 H new ATOM 0 HE21 GLN S 44 4.536 2.682 2.562 1.00 0.00 H new ATOM 0 HE22 GLN S 44 5.222 3.260 4.083 1.00 0.00 H new ATOM 706 N PRO S 45 9.275 2.950 1.043 1.00 0.00 N ATOM 707 CA PRO S 45 9.979 4.018 1.746 1.00 0.00 C ATOM 708 C PRO S 45 9.514 4.220 3.203 1.00 0.00 C ATOM 709 O PRO S 45 8.386 4.627 3.458 1.00 0.00 O ATOM 710 CB PRO S 45 9.691 5.285 0.918 1.00 0.00 C ATOM 711 CG PRO S 45 9.209 4.782 -0.445 1.00 0.00 C ATOM 712 CD PRO S 45 8.606 3.403 -0.177 1.00 0.00 C ATOM 0 HA PRO S 45 11.039 3.776 1.827 1.00 0.00 H new ATOM 0 HB2 PRO S 45 8.933 5.904 1.398 1.00 0.00 H new ATOM 0 HB3 PRO S 45 10.586 5.899 0.816 1.00 0.00 H new ATOM 0 HG2 PRO S 45 8.469 5.458 -0.874 1.00 0.00 H new ATOM 0 HG3 PRO S 45 10.034 4.719 -1.155 1.00 0.00 H new ATOM 0 HD2 PRO S 45 7.526 3.460 -0.041 1.00 0.00 H new ATOM 0 HD3 PRO S 45 8.787 2.721 -1.008 1.00 0.00 H new ATOM 720 N GLU S 46 10.484 4.020 4.123 1.00 0.00 N ATOM 721 CA GLU S 46 10.251 4.160 5.565 1.00 0.00 C ATOM 722 C GLU S 46 9.435 5.421 5.956 1.00 0.00 C ATOM 723 O GLU S 46 8.681 5.430 6.918 1.00 0.00 O ATOM 724 CB GLU S 46 11.594 4.152 6.321 1.00 0.00 C ATOM 725 CG GLU S 46 12.603 5.221 5.843 1.00 0.00 C ATOM 726 CD GLU S 46 13.572 5.623 6.961 1.00 0.00 C ATOM 727 OE1 GLU S 46 13.721 5.027 7.980 1.00 0.00 O ATOM 728 OE2 GLU S 46 14.205 6.776 6.668 1.00 0.00 O ATOM 0 H GLU S 46 11.440 3.759 3.883 1.00 0.00 H new ATOM 0 HA GLU S 46 9.643 3.303 5.854 1.00 0.00 H new ATOM 0 HB2 GLU S 46 11.400 4.302 7.383 1.00 0.00 H new ATOM 0 HB3 GLU S 46 12.050 3.167 6.217 1.00 0.00 H new ATOM 0 HG2 GLU S 46 13.167 4.836 4.993 1.00 0.00 H new ATOM 0 HG3 GLU S 46 12.063 6.102 5.495 1.00 0.00 H new ATOM 736 N HIS S 47 9.627 6.478 5.144 1.00 0.00 N ATOM 737 CA HIS S 47 8.940 7.754 5.320 1.00 0.00 C ATOM 738 C HIS S 47 7.428 7.573 5.540 1.00 0.00 C ATOM 739 O HIS S 47 6.836 8.144 6.443 1.00 0.00 O ATOM 740 CB HIS S 47 9.168 8.627 4.076 1.00 0.00 C ATOM 741 CG HIS S 47 10.642 8.673 3.742 1.00 0.00 C ATOM 742 ND1 HIS S 47 11.227 7.882 2.812 1.00 0.00 N ATOM 743 CD2 HIS S 47 11.629 9.499 4.306 1.00 0.00 C ATOM 744 CE1 HIS S 47 12.531 8.216 2.810 1.00 0.00 C ATOM 745 NE2 HIS S 47 12.801 9.188 3.702 1.00 0.00 N ATOM 0 H HIS S 47 10.266 6.462 4.349 1.00 0.00 H new ATOM 0 HA HIS S 47 9.351 8.233 6.209 1.00 0.00 H new ATOM 0 HB2 HIS S 47 8.607 8.226 3.232 1.00 0.00 H new ATOM 0 HB3 HIS S 47 8.795 9.635 4.256 1.00 0.00 H new ATOM 0 HD2 HIS S 47 11.481 10.242 5.076 1.00 0.00 H new ATOM 0 HE1 HIS S 47 13.272 7.759 2.170 1.00 0.00 H new ATOM 0 HE2 HIS S 47 13.712 9.609 3.887 1.00 0.00 H new ATOM 754 N LEU S 48 6.854 6.744 4.647 1.00 0.00 N ATOM 755 CA LEU S 48 5.419 6.486 4.681 1.00 0.00 C ATOM 756 C LEU S 48 5.140 5.099 5.275 1.00 0.00 C ATOM 757 O LEU S 48 4.152 4.476 4.914 1.00 0.00 O ATOM 758 CB LEU S 48 4.795 6.630 3.269 1.00 0.00 C ATOM 759 CG LEU S 48 5.564 5.942 2.115 1.00 0.00 C ATOM 760 CD1 LEU S 48 4.643 5.138 1.188 1.00 0.00 C ATOM 761 CD2 LEU S 48 6.339 6.968 1.278 1.00 0.00 C ATOM 0 H LEU S 48 7.359 6.254 3.909 1.00 0.00 H new ATOM 0 HA LEU S 48 4.950 7.231 5.323 1.00 0.00 H new ATOM 0 HB2 LEU S 48 3.783 6.225 3.297 1.00 0.00 H new ATOM 0 HB3 LEU S 48 4.707 7.692 3.039 1.00 0.00 H new ATOM 0 HG LEU S 48 6.259 5.250 2.590 1.00 0.00 H new ATOM 0 HD11 LEU S 48 5.235 4.677 0.397 1.00 0.00 H new ATOM 0 HD12 LEU S 48 4.137 4.362 1.762 1.00 0.00 H new ATOM 0 HD13 LEU S 48 3.902 5.803 0.745 1.00 0.00 H new ATOM 0 HD21 LEU S 48 6.869 6.456 0.475 1.00 0.00 H new ATOM 0 HD22 LEU S 48 5.643 7.690 0.851 1.00 0.00 H new ATOM 0 HD23 LEU S 48 7.056 7.488 1.913 1.00 0.00 H new ATOM 773 N ARG S 49 6.020 4.605 6.176 1.00 0.00 N ATOM 774 CA ARG S 49 5.926 3.209 6.645 1.00 0.00 C ATOM 775 C ARG S 49 4.499 2.810 7.097 1.00 0.00 C ATOM 776 O ARG S 49 4.012 1.715 6.833 1.00 0.00 O ATOM 777 CB ARG S 49 6.964 2.938 7.749 1.00 0.00 C ATOM 778 CG ARG S 49 7.081 1.450 8.131 1.00 0.00 C ATOM 779 CD ARG S 49 6.483 1.110 9.502 1.00 0.00 C ATOM 780 NE ARG S 49 7.351 1.635 10.555 1.00 0.00 N ATOM 781 CZ ARG S 49 7.333 1.175 11.829 1.00 0.00 C ATOM 782 NH1 ARG S 49 6.438 0.263 12.198 1.00 0.00 N ATOM 783 NH2 ARG S 49 8.218 1.637 12.710 1.00 0.00 N ATOM 0 H ARG S 49 6.786 5.141 6.584 1.00 0.00 H new ATOM 0 HA ARG S 49 6.153 2.574 5.789 1.00 0.00 H new ATOM 0 HB2 ARG S 49 7.938 3.297 7.417 1.00 0.00 H new ATOM 0 HB3 ARG S 49 6.698 3.513 8.636 1.00 0.00 H new ATOM 0 HG2 ARG S 49 6.583 0.850 7.370 1.00 0.00 H new ATOM 0 HG3 ARG S 49 8.133 1.165 8.124 1.00 0.00 H new ATOM 0 HD2 ARG S 49 5.485 1.538 9.592 1.00 0.00 H new ATOM 0 HD3 ARG S 49 6.378 0.030 9.607 1.00 0.00 H new ATOM 0 HE ARG S 49 8.002 2.384 10.319 1.00 0.00 H new ATOM 0 HH11 ARG S 49 5.763 -0.092 11.521 1.00 0.00 H new ATOM 0 HH12 ARG S 49 6.427 -0.081 13.158 1.00 0.00 H new ATOM 0 HH21 ARG S 49 8.906 2.334 12.424 1.00 0.00 H new ATOM 0 HH22 ARG S 49 8.208 1.294 13.670 1.00 0.00 H new ATOM 797 N SER S 50 3.849 3.793 7.752 1.00 0.00 N ATOM 798 CA SER S 50 2.465 3.623 8.190 1.00 0.00 C ATOM 799 C SER S 50 1.543 3.169 7.036 1.00 0.00 C ATOM 800 O SER S 50 0.734 2.267 7.195 1.00 0.00 O ATOM 801 CB SER S 50 1.957 4.937 8.811 1.00 0.00 C ATOM 802 OG SER S 50 0.606 4.873 9.233 1.00 0.00 O ATOM 0 H SER S 50 4.260 4.697 7.983 1.00 0.00 H new ATOM 0 HA SER S 50 2.441 2.833 8.941 1.00 0.00 H new ATOM 0 HB2 SER S 50 2.585 5.194 9.664 1.00 0.00 H new ATOM 0 HB3 SER S 50 2.065 5.740 8.082 1.00 0.00 H new ATOM 0 HG SER S 50 0.343 5.734 9.619 1.00 0.00 H new ATOM 808 N TRP S 51 1.730 3.811 5.863 1.00 0.00 N ATOM 809 CA TRP S 51 0.932 3.500 4.678 1.00 0.00 C ATOM 810 C TRP S 51 1.000 2.002 4.344 1.00 0.00 C ATOM 811 O TRP S 51 -0.008 1.380 4.042 1.00 0.00 O ATOM 812 CB TRP S 51 1.401 4.362 3.486 1.00 0.00 C ATOM 813 CG TRP S 51 0.562 4.159 2.233 1.00 0.00 C ATOM 814 CD1 TRP S 51 1.040 3.745 0.983 1.00 0.00 C ATOM 815 CD2 TRP S 51 -0.863 4.338 2.070 1.00 0.00 C ATOM 816 NE1 TRP S 51 0.021 3.675 0.089 1.00 0.00 N ATOM 817 CE2 TRP S 51 -1.167 4.051 0.712 1.00 0.00 C ATOM 818 CE3 TRP S 51 -1.851 4.763 2.925 1.00 0.00 C ATOM 819 CZ2 TRP S 51 -2.461 4.123 0.260 1.00 0.00 C ATOM 820 CZ3 TRP S 51 -3.167 4.847 2.463 1.00 0.00 C ATOM 821 CH2 TRP S 51 -3.468 4.544 1.134 1.00 0.00 C ATOM 0 H TRP S 51 2.426 4.543 5.721 1.00 0.00 H new ATOM 0 HA TRP S 51 -0.111 3.738 4.887 1.00 0.00 H new ATOM 0 HB2 TRP S 51 1.368 5.414 3.771 1.00 0.00 H new ATOM 0 HB3 TRP S 51 2.441 4.125 3.261 1.00 0.00 H new ATOM 0 HD1 TRP S 51 2.072 3.514 0.762 1.00 0.00 H new ATOM 0 HE1 TRP S 51 0.111 3.391 -0.887 1.00 0.00 H new ATOM 0 HE3 TRP S 51 -1.613 5.030 3.944 1.00 0.00 H new ATOM 0 HZ2 TRP S 51 -2.699 3.857 -0.759 1.00 0.00 H new ATOM 0 HZ3 TRP S 51 -3.955 5.148 3.137 1.00 0.00 H new ATOM 0 HH2 TRP S 51 -4.484 4.635 0.779 1.00 0.00 H new ATOM 832 N PHE S 52 2.231 1.448 4.445 1.00 0.00 N ATOM 833 CA PHE S 52 2.387 0.020 4.159 1.00 0.00 C ATOM 834 C PHE S 52 1.567 -0.806 5.148 1.00 0.00 C ATOM 835 O PHE S 52 0.883 -1.749 4.787 1.00 0.00 O ATOM 836 CB PHE S 52 3.864 -0.414 4.244 1.00 0.00 C ATOM 837 CG PHE S 52 4.208 -1.586 3.354 1.00 0.00 C ATOM 838 CD1 PHE S 52 3.934 -1.535 1.991 1.00 0.00 C ATOM 839 CD2 PHE S 52 4.837 -2.721 3.862 1.00 0.00 C ATOM 840 CE1 PHE S 52 4.306 -2.566 1.146 1.00 0.00 C ATOM 841 CE2 PHE S 52 5.194 -3.769 3.019 1.00 0.00 C ATOM 842 CZ PHE S 52 4.934 -3.687 1.659 1.00 0.00 C ATOM 0 H PHE S 52 3.083 1.943 4.708 1.00 0.00 H new ATOM 0 HA PHE S 52 2.031 -0.153 3.143 1.00 0.00 H new ATOM 0 HB2 PHE S 52 4.497 0.432 3.976 1.00 0.00 H new ATOM 0 HB3 PHE S 52 4.098 -0.673 5.277 1.00 0.00 H new ATOM 0 HD1 PHE S 52 3.422 -0.675 1.585 1.00 0.00 H new ATOM 0 HD2 PHE S 52 5.049 -2.788 4.919 1.00 0.00 H new ATOM 0 HE1 PHE S 52 4.106 -2.496 0.087 1.00 0.00 H new ATOM 0 HE2 PHE S 52 5.674 -4.647 3.424 1.00 0.00 H new ATOM 0 HZ PHE S 52 5.221 -4.495 1.003 1.00 0.00 H new ATOM 852 N ARG S 53 1.676 -0.375 6.418 1.00 0.00 N ATOM 853 CA ARG S 53 1.007 -1.095 7.492 1.00 0.00 C ATOM 854 C ARG S 53 -0.522 -1.113 7.288 1.00 0.00 C ATOM 855 O ARG S 53 -1.151 -2.163 7.267 1.00 0.00 O ATOM 856 CB ARG S 53 1.419 -0.495 8.851 1.00 0.00 C ATOM 857 CG ARG S 53 1.839 -1.579 9.850 1.00 0.00 C ATOM 858 CD ARG S 53 3.173 -2.250 9.469 1.00 0.00 C ATOM 859 NE ARG S 53 3.012 -3.700 9.410 1.00 0.00 N ATOM 860 CZ ARG S 53 4.057 -4.559 9.422 1.00 0.00 C ATOM 861 NH1 ARG S 53 5.306 -4.102 9.455 1.00 0.00 N ATOM 862 NH2 ARG S 53 3.828 -5.869 9.402 1.00 0.00 N ATOM 0 H ARG S 53 2.207 0.445 6.711 1.00 0.00 H new ATOM 0 HA ARG S 53 1.323 -2.138 7.478 1.00 0.00 H new ATOM 0 HB2 ARG S 53 2.243 0.203 8.705 1.00 0.00 H new ATOM 0 HB3 ARG S 53 0.587 0.076 9.263 1.00 0.00 H new ATOM 0 HG2 ARG S 53 1.929 -1.138 10.843 1.00 0.00 H new ATOM 0 HG3 ARG S 53 1.058 -2.337 9.907 1.00 0.00 H new ATOM 0 HD2 ARG S 53 3.514 -1.876 8.504 1.00 0.00 H new ATOM 0 HD3 ARG S 53 3.940 -1.992 10.200 1.00 0.00 H new ATOM 0 HE ARG S 53 2.068 -4.083 9.357 1.00 0.00 H new ATOM 0 HH11 ARG S 53 5.481 -3.097 9.471 1.00 0.00 H new ATOM 0 HH12 ARG S 53 6.088 -4.756 9.464 1.00 0.00 H new ATOM 0 HH21 ARG S 53 2.870 -6.219 9.378 1.00 0.00 H new ATOM 0 HH22 ARG S 53 4.610 -6.524 9.411 1.00 0.00 H new ATOM 876 N GLU S 54 -1.062 0.106 7.104 1.00 0.00 N ATOM 877 CA GLU S 54 -2.497 0.299 6.921 1.00 0.00 C ATOM 878 C GLU S 54 -2.996 -0.475 5.693 1.00 0.00 C ATOM 879 O GLU S 54 -3.969 -1.222 5.733 1.00 0.00 O ATOM 880 CB GLU S 54 -2.803 1.803 6.791 1.00 0.00 C ATOM 881 CG GLU S 54 -2.482 2.602 8.067 1.00 0.00 C ATOM 882 CD GLU S 54 -3.285 2.082 9.263 1.00 0.00 C ATOM 883 OE1 GLU S 54 -2.822 1.444 10.155 1.00 0.00 O ATOM 884 OE2 GLU S 54 -4.589 2.404 9.169 1.00 0.00 O ATOM 0 H GLU S 54 -0.518 0.968 7.079 1.00 0.00 H new ATOM 0 HA GLU S 54 -3.024 -0.091 7.792 1.00 0.00 H new ATOM 0 HB2 GLU S 54 -2.229 2.213 5.960 1.00 0.00 H new ATOM 0 HB3 GLU S 54 -3.857 1.932 6.545 1.00 0.00 H new ATOM 0 HG2 GLU S 54 -1.416 2.533 8.284 1.00 0.00 H new ATOM 0 HG3 GLU S 54 -2.707 3.656 7.905 1.00 0.00 H new ATOM 892 N ARG S 55 -2.243 -0.277 4.598 1.00 0.00 N ATOM 893 CA ARG S 55 -2.561 -1.009 3.385 1.00 0.00 C ATOM 894 C ARG S 55 -2.445 -2.517 3.586 1.00 0.00 C ATOM 895 O ARG S 55 -3.172 -3.275 2.961 1.00 0.00 O ATOM 896 CB ARG S 55 -1.679 -0.543 2.216 1.00 0.00 C ATOM 897 CG ARG S 55 -2.287 0.665 1.502 1.00 0.00 C ATOM 898 CD ARG S 55 -3.613 0.293 0.815 1.00 0.00 C ATOM 899 NE ARG S 55 -4.768 0.874 1.494 1.00 0.00 N ATOM 900 CZ ARG S 55 -5.921 1.166 0.843 1.00 0.00 C ATOM 901 NH1 ARG S 55 -6.010 1.010 -0.478 1.00 0.00 N ATOM 902 NH2 ARG S 55 -6.969 1.612 1.529 1.00 0.00 N ATOM 0 H ARG S 55 -1.446 0.357 4.536 1.00 0.00 H new ATOM 0 HA ARG S 55 -3.600 -0.793 3.138 1.00 0.00 H new ATOM 0 HB2 ARG S 55 -0.687 -0.286 2.587 1.00 0.00 H new ATOM 0 HB3 ARG S 55 -1.552 -1.360 1.506 1.00 0.00 H new ATOM 0 HG2 ARG S 55 -2.458 1.467 2.220 1.00 0.00 H new ATOM 0 HG3 ARG S 55 -1.584 1.045 0.761 1.00 0.00 H new ATOM 0 HD2 ARG S 55 -3.592 0.635 -0.220 1.00 0.00 H new ATOM 0 HD3 ARG S 55 -3.716 -0.792 0.791 1.00 0.00 H new ATOM 0 HE ARG S 55 -4.705 1.067 2.494 1.00 0.00 H new ATOM 0 HH11 ARG S 55 -5.207 0.669 -1.006 1.00 0.00 H new ATOM 0 HH12 ARG S 55 -6.881 1.232 -0.960 1.00 0.00 H new ATOM 0 HH21 ARG S 55 -6.903 1.733 2.540 1.00 0.00 H new ATOM 0 HH22 ARG S 55 -7.839 1.833 1.045 1.00 0.00 H new ATOM 916 N LEU S 56 -1.525 -2.928 4.475 1.00 0.00 N ATOM 917 CA LEU S 56 -1.356 -4.352 4.713 1.00 0.00 C ATOM 918 C LEU S 56 -2.679 -4.983 5.162 1.00 0.00 C ATOM 919 O LEU S 56 -3.067 -6.014 4.638 1.00 0.00 O ATOM 920 CB LEU S 56 -0.205 -4.658 5.697 1.00 0.00 C ATOM 921 CG LEU S 56 0.954 -5.459 5.074 1.00 0.00 C ATOM 922 CD1 LEU S 56 0.479 -6.742 4.374 1.00 0.00 C ATOM 923 CD2 LEU S 56 1.799 -4.583 4.142 1.00 0.00 C ATOM 0 H LEU S 56 -0.915 -2.315 5.016 1.00 0.00 H new ATOM 0 HA LEU S 56 -1.067 -4.809 3.767 1.00 0.00 H new ATOM 0 HB2 LEU S 56 0.185 -3.718 6.088 1.00 0.00 H new ATOM 0 HB3 LEU S 56 -0.604 -5.215 6.545 1.00 0.00 H new ATOM 0 HG LEU S 56 1.592 -5.780 5.898 1.00 0.00 H new ATOM 0 HD11 LEU S 56 1.337 -7.266 3.954 1.00 0.00 H new ATOM 0 HD12 LEU S 56 -0.022 -7.387 5.096 1.00 0.00 H new ATOM 0 HD13 LEU S 56 -0.216 -6.484 3.575 1.00 0.00 H new ATOM 0 HD21 LEU S 56 2.608 -5.178 3.718 1.00 0.00 H new ATOM 0 HD22 LEU S 56 1.172 -4.198 3.338 1.00 0.00 H new ATOM 0 HD23 LEU S 56 2.218 -3.750 4.706 1.00 0.00 H new ATOM 935 N ILE S 57 -3.375 -4.311 6.104 1.00 0.00 N ATOM 936 CA ILE S 57 -4.676 -4.840 6.540 1.00 0.00 C ATOM 937 C ILE S 57 -5.644 -4.972 5.339 1.00 0.00 C ATOM 938 O ILE S 57 -6.328 -5.975 5.162 1.00 0.00 O ATOM 939 CB ILE S 57 -5.265 -3.975 7.679 1.00 0.00 C ATOM 940 CG1 ILE S 57 -4.311 -3.928 8.895 1.00 0.00 C ATOM 941 CG2 ILE S 57 -6.657 -4.460 8.122 1.00 0.00 C ATOM 942 CD1 ILE S 57 -3.644 -2.564 9.063 1.00 0.00 C ATOM 0 H ILE S 57 -3.075 -3.446 6.555 1.00 0.00 H new ATOM 0 HA ILE S 57 -4.530 -5.842 6.944 1.00 0.00 H new ATOM 0 HB ILE S 57 -5.376 -2.968 7.276 1.00 0.00 H new ATOM 0 HG12 ILE S 57 -4.869 -4.170 9.800 1.00 0.00 H new ATOM 0 HG13 ILE S 57 -3.543 -4.693 8.780 1.00 0.00 H new ATOM 0 HG21 ILE S 57 -7.027 -3.820 8.923 1.00 0.00 H new ATOM 0 HG22 ILE S 57 -7.344 -4.417 7.276 1.00 0.00 H new ATOM 0 HG23 ILE S 57 -6.587 -5.487 8.480 1.00 0.00 H new ATOM 0 HD11 ILE S 57 -2.985 -2.586 9.931 1.00 0.00 H new ATOM 0 HD12 ILE S 57 -3.062 -2.331 8.171 1.00 0.00 H new ATOM 0 HD13 ILE S 57 -4.408 -1.800 9.207 1.00 0.00 H new ATOM 954 N ALA S 58 -5.624 -3.920 4.500 1.00 0.00 N ATOM 955 CA ALA S 58 -6.483 -3.925 3.317 1.00 0.00 C ATOM 956 C ALA S 58 -6.168 -5.132 2.397 1.00 0.00 C ATOM 957 O ALA S 58 -7.036 -5.839 1.904 1.00 0.00 O ATOM 958 CB ALA S 58 -6.319 -2.591 2.572 1.00 0.00 C ATOM 0 H ALA S 58 -5.044 -3.089 4.617 1.00 0.00 H new ATOM 0 HA ALA S 58 -7.522 -4.032 3.629 1.00 0.00 H new ATOM 0 HB1 ALA S 58 -6.957 -2.587 1.688 1.00 0.00 H new ATOM 0 HB2 ALA S 58 -6.605 -1.770 3.229 1.00 0.00 H new ATOM 0 HB3 ALA S 58 -5.279 -2.469 2.270 1.00 0.00 H new ATOM 964 N HIS S 59 -4.858 -5.338 2.203 1.00 0.00 N ATOM 965 CA HIS S 59 -4.406 -6.427 1.347 1.00 0.00 C ATOM 966 C HIS S 59 -4.618 -7.790 1.989 1.00 0.00 C ATOM 967 O HIS S 59 -4.777 -8.785 1.296 1.00 0.00 O ATOM 968 CB HIS S 59 -2.934 -6.235 0.990 1.00 0.00 C ATOM 969 CG HIS S 59 -2.880 -5.133 -0.032 1.00 0.00 C ATOM 970 ND1 HIS S 59 -3.377 -5.236 -1.286 1.00 0.00 N ATOM 971 CD2 HIS S 59 -2.349 -3.850 0.132 1.00 0.00 C ATOM 972 CE1 HIS S 59 -3.153 -4.041 -1.861 1.00 0.00 C ATOM 973 NE2 HIS S 59 -2.534 -3.193 -1.025 1.00 0.00 N ATOM 0 H HIS S 59 -4.114 -4.777 2.618 1.00 0.00 H new ATOM 0 HA HIS S 59 -5.008 -6.400 0.439 1.00 0.00 H new ATOM 0 HB2 HIS S 59 -2.352 -5.973 1.874 1.00 0.00 H new ATOM 0 HB3 HIS S 59 -2.509 -7.156 0.590 1.00 0.00 H new ATOM 0 HD1 HIS S 59 -3.827 -6.049 -1.707 1.00 0.00 H new ATOM 0 HD2 HIS S 59 -1.878 -3.460 1.022 1.00 0.00 H new ATOM 0 HE1 HIS S 59 -3.437 -3.794 -2.873 1.00 0.00 H new ATOM 982 N ARG S 60 -4.638 -7.788 3.331 1.00 0.00 N ATOM 983 CA ARG S 60 -4.948 -9.015 4.042 1.00 0.00 C ATOM 984 C ARG S 60 -6.380 -9.437 3.695 1.00 0.00 C ATOM 985 O ARG S 60 -6.620 -10.575 3.311 1.00 0.00 O ATOM 986 CB ARG S 60 -4.734 -8.853 5.553 1.00 0.00 C ATOM 987 CG ARG S 60 -3.244 -8.765 5.904 1.00 0.00 C ATOM 988 CD ARG S 60 -2.563 -10.137 5.985 1.00 0.00 C ATOM 989 NE ARG S 60 -1.123 -9.988 5.804 1.00 0.00 N ATOM 990 CZ ARG S 60 -0.314 -9.467 6.751 1.00 0.00 C ATOM 991 NH1 ARG S 60 -0.812 -9.122 7.937 1.00 0.00 N ATOM 992 NH2 ARG S 60 0.978 -9.296 6.482 1.00 0.00 N ATOM 0 H ARG S 60 -4.449 -6.976 3.919 1.00 0.00 H new ATOM 0 HA ARG S 60 -4.267 -9.806 3.728 1.00 0.00 H new ATOM 0 HB2 ARG S 60 -5.244 -7.954 5.899 1.00 0.00 H new ATOM 0 HB3 ARG S 60 -5.183 -9.696 6.078 1.00 0.00 H new ATOM 0 HG2 ARG S 60 -2.736 -8.157 5.155 1.00 0.00 H new ATOM 0 HG3 ARG S 60 -3.132 -8.253 6.860 1.00 0.00 H new ATOM 0 HD2 ARG S 60 -2.771 -10.600 6.950 1.00 0.00 H new ATOM 0 HD3 ARG S 60 -2.968 -10.799 5.220 1.00 0.00 H new ATOM 0 HE ARG S 60 -0.709 -10.291 4.922 1.00 0.00 H new ATOM 0 HH11 ARG S 60 -1.805 -9.251 8.130 1.00 0.00 H new ATOM 0 HH12 ARG S 60 -0.200 -8.728 8.652 1.00 0.00 H new ATOM 0 HH21 ARG S 60 1.348 -9.558 5.568 1.00 0.00 H new ATOM 0 HH22 ARG S 60 1.599 -8.903 7.190 1.00 0.00 H new ATOM 1006 N LEU S 61 -7.286 -8.436 3.772 1.00 0.00 N ATOM 1007 CA LEU S 61 -8.680 -8.672 3.385 1.00 0.00 C ATOM 1008 C LEU S 61 -8.752 -9.242 1.949 1.00 0.00 C ATOM 1009 O LEU S 61 -9.395 -10.246 1.672 1.00 0.00 O ATOM 1010 CB LEU S 61 -9.542 -7.411 3.646 1.00 0.00 C ATOM 1011 CG LEU S 61 -10.060 -6.599 2.435 1.00 0.00 C ATOM 1012 CD1 LEU S 61 -11.178 -7.328 1.665 1.00 0.00 C ATOM 1013 CD2 LEU S 61 -10.525 -5.211 2.894 1.00 0.00 C ATOM 0 H LEU S 61 -7.079 -7.489 4.089 1.00 0.00 H new ATOM 0 HA LEU S 61 -9.123 -9.443 4.016 1.00 0.00 H new ATOM 0 HB2 LEU S 61 -10.408 -7.719 4.232 1.00 0.00 H new ATOM 0 HB3 LEU S 61 -8.958 -6.735 4.271 1.00 0.00 H new ATOM 0 HG LEU S 61 -9.229 -6.488 1.738 1.00 0.00 H new ATOM 0 HD11 LEU S 61 -11.503 -6.712 0.826 1.00 0.00 H new ATOM 0 HD12 LEU S 61 -10.801 -8.280 1.292 1.00 0.00 H new ATOM 0 HD13 LEU S 61 -12.021 -7.508 2.332 1.00 0.00 H new ATOM 0 HD21 LEU S 61 -10.888 -4.646 2.035 1.00 0.00 H new ATOM 0 HD22 LEU S 61 -11.328 -5.319 3.623 1.00 0.00 H new ATOM 0 HD23 LEU S 61 -9.690 -4.680 3.351 1.00 0.00 H new ATOM 1025 N ALA S 62 -7.999 -8.564 1.062 1.00 0.00 N ATOM 1026 CA ALA S 62 -7.992 -8.976 -0.338 1.00 0.00 C ATOM 1027 C ALA S 62 -7.346 -10.362 -0.545 1.00 0.00 C ATOM 1028 O ALA S 62 -7.631 -11.052 -1.513 1.00 0.00 O ATOM 1029 CB ALA S 62 -7.263 -7.925 -1.177 1.00 0.00 C ATOM 0 H ALA S 62 -7.412 -7.760 1.285 1.00 0.00 H new ATOM 0 HA ALA S 62 -9.030 -9.059 -0.661 1.00 0.00 H new ATOM 0 HB1 ALA S 62 -7.258 -8.233 -2.222 1.00 0.00 H new ATOM 0 HB2 ALA S 62 -7.774 -6.967 -1.084 1.00 0.00 H new ATOM 0 HB3 ALA S 62 -6.237 -7.825 -0.823 1.00 0.00 H new ATOM 1035 N SER S 63 -6.465 -10.749 0.389 1.00 0.00 N ATOM 1036 CA SER S 63 -5.836 -12.055 0.244 1.00 0.00 C ATOM 1037 C SER S 63 -6.802 -13.167 0.679 1.00 0.00 C ATOM 1038 O SER S 63 -6.972 -14.163 -0.012 1.00 0.00 O ATOM 1039 CB SER S 63 -4.504 -12.065 1.003 1.00 0.00 C ATOM 1040 OG SER S 63 -4.594 -12.130 2.411 1.00 0.00 O ATOM 0 H SER S 63 -6.187 -10.207 1.207 1.00 0.00 H new ATOM 0 HA SER S 63 -5.607 -12.253 -0.803 1.00 0.00 H new ATOM 0 HB2 SER S 63 -3.918 -12.916 0.657 1.00 0.00 H new ATOM 0 HB3 SER S 63 -3.949 -11.166 0.735 1.00 0.00 H new ATOM 0 HG SER S 63 -5.254 -11.478 2.727 1.00 0.00 H new ATOM 1046 N VAL S 64 -7.437 -12.923 1.846 1.00 0.00 N ATOM 1047 CA VAL S 64 -8.308 -13.937 2.433 1.00 0.00 C ATOM 1048 C VAL S 64 -9.600 -14.088 1.616 1.00 0.00 C ATOM 1049 O VAL S 64 -10.180 -15.161 1.551 1.00 0.00 O ATOM 1050 CB VAL S 64 -8.616 -13.633 3.915 1.00 0.00 C ATOM 1051 CG1 VAL S 64 -7.346 -13.644 4.777 1.00 0.00 C ATOM 1052 CG2 VAL S 64 -9.378 -12.317 4.109 1.00 0.00 C ATOM 0 H VAL S 64 -7.361 -12.057 2.379 1.00 0.00 H new ATOM 0 HA VAL S 64 -7.776 -14.888 2.402 1.00 0.00 H new ATOM 0 HB VAL S 64 -9.269 -14.439 4.250 1.00 0.00 H new ATOM 0 HG11 VAL S 64 -7.607 -13.426 5.812 1.00 0.00 H new ATOM 0 HG12 VAL S 64 -6.876 -14.626 4.721 1.00 0.00 H new ATOM 0 HG13 VAL S 64 -6.651 -12.888 4.411 1.00 0.00 H new ATOM 0 HG21 VAL S 64 -9.565 -12.158 5.171 1.00 0.00 H new ATOM 0 HG22 VAL S 64 -8.784 -11.491 3.718 1.00 0.00 H new ATOM 0 HG23 VAL S 64 -10.328 -12.365 3.576 1.00 0.00 H new ATOM 1062 N ASN S 65 -10.009 -12.966 0.973 1.00 0.00 N ATOM 1063 CA ASN S 65 -11.227 -13.030 0.160 1.00 0.00 C ATOM 1064 C ASN S 65 -11.077 -14.042 -0.988 1.00 0.00 C ATOM 1065 O ASN S 65 -12.046 -14.637 -1.437 1.00 0.00 O ATOM 1066 CB ASN S 65 -11.701 -11.628 -0.320 1.00 0.00 C ATOM 1067 CG ASN S 65 -11.431 -11.247 -1.797 1.00 0.00 C ATOM 1068 OD1 ASN S 65 -12.330 -10.909 -2.551 1.00 0.00 O ATOM 1069 ND2 ASN S 65 -10.165 -11.311 -2.198 1.00 0.00 N ATOM 0 H ASN S 65 -9.539 -12.061 1.002 1.00 0.00 H new ATOM 0 HA ASN S 65 -12.027 -13.398 0.802 1.00 0.00 H new ATOM 0 HB2 ASN S 65 -12.775 -11.559 -0.146 1.00 0.00 H new ATOM 0 HB3 ASN S 65 -11.226 -10.878 0.313 1.00 0.00 H new ATOM 0 HD21 ASN S 65 -9.922 -11.074 -3.160 1.00 0.00 H new ATOM 0 HD22 ASN S 65 -9.437 -11.597 -1.544 1.00 0.00 H new ATOM 1076 N LEU S 66 -9.808 -14.151 -1.447 1.00 0.00 N ATOM 1077 CA LEU S 66 -9.405 -14.964 -2.591 1.00 0.00 C ATOM 1078 C LEU S 66 -9.893 -14.357 -3.923 1.00 0.00 C ATOM 1079 O LEU S 66 -9.091 -14.096 -4.809 1.00 0.00 O ATOM 1080 CB LEU S 66 -9.781 -16.445 -2.412 1.00 0.00 C ATOM 1081 CG LEU S 66 -9.217 -17.047 -1.104 1.00 0.00 C ATOM 1082 CD1 LEU S 66 -10.312 -17.765 -0.307 1.00 0.00 C ATOM 1083 CD2 LEU S 66 -8.024 -17.975 -1.367 1.00 0.00 C ATOM 0 H LEU S 66 -9.026 -13.660 -1.013 1.00 0.00 H new ATOM 0 HA LEU S 66 -8.316 -14.948 -2.639 1.00 0.00 H new ATOM 0 HB2 LEU S 66 -10.867 -16.543 -2.415 1.00 0.00 H new ATOM 0 HB3 LEU S 66 -9.407 -17.016 -3.262 1.00 0.00 H new ATOM 0 HG LEU S 66 -8.851 -16.217 -0.500 1.00 0.00 H new ATOM 0 HD11 LEU S 66 -9.885 -18.178 0.607 1.00 0.00 H new ATOM 0 HD12 LEU S 66 -11.100 -17.057 -0.052 1.00 0.00 H new ATOM 0 HD13 LEU S 66 -10.730 -18.572 -0.909 1.00 0.00 H new ATOM 0 HD21 LEU S 66 -7.659 -18.376 -0.421 1.00 0.00 H new ATOM 0 HD22 LEU S 66 -8.337 -18.796 -2.012 1.00 0.00 H new ATOM 0 HD23 LEU S 66 -7.227 -17.414 -1.855 1.00 0.00 H new ATOM 1095 N SER S 67 -11.225 -14.128 -3.989 1.00 0.00 N ATOM 1096 CA SER S 67 -11.954 -13.585 -5.133 1.00 0.00 C ATOM 1097 C SER S 67 -11.117 -12.576 -5.940 1.00 0.00 C ATOM 1098 O SER S 67 -10.616 -12.896 -7.008 1.00 0.00 O ATOM 1099 CB SER S 67 -13.321 -13.020 -4.679 1.00 0.00 C ATOM 1100 OG SER S 67 -14.311 -13.101 -5.691 1.00 0.00 O ATOM 0 H SER S 67 -11.841 -14.331 -3.201 1.00 0.00 H new ATOM 0 HA SER S 67 -12.154 -14.401 -5.827 1.00 0.00 H new ATOM 0 HB2 SER S 67 -13.661 -13.567 -3.799 1.00 0.00 H new ATOM 0 HB3 SER S 67 -13.198 -11.979 -4.380 1.00 0.00 H new ATOM 0 HG SER S 67 -15.154 -12.733 -5.354 1.00 0.00 H new ATOM 1106 N ARG S 68 -11.009 -11.337 -5.408 1.00 0.00 N ATOM 1107 CA ARG S 68 -10.135 -10.319 -6.010 1.00 0.00 C ATOM 1108 C ARG S 68 -10.548 -9.856 -7.439 1.00 0.00 C ATOM 1109 O ARG S 68 -9.967 -8.912 -7.955 1.00 0.00 O ATOM 1110 CB ARG S 68 -8.652 -10.780 -5.998 1.00 0.00 C ATOM 1111 CG ARG S 68 -7.755 -9.952 -5.063 1.00 0.00 C ATOM 1112 CD ARG S 68 -6.272 -10.360 -5.143 1.00 0.00 C ATOM 1113 NE ARG S 68 -5.787 -10.379 -6.524 1.00 0.00 N ATOM 1114 CZ ARG S 68 -5.588 -9.262 -7.261 1.00 0.00 C ATOM 1115 NH1 ARG S 68 -5.763 -8.063 -6.716 1.00 0.00 N ATOM 1116 NH2 ARG S 68 -5.223 -9.371 -8.537 1.00 0.00 N ATOM 0 H ARG S 68 -11.510 -11.027 -4.576 1.00 0.00 H new ATOM 0 HA ARG S 68 -10.256 -9.441 -5.375 1.00 0.00 H new ATOM 0 HB2 ARG S 68 -8.608 -11.826 -5.696 1.00 0.00 H new ATOM 0 HB3 ARG S 68 -8.255 -10.724 -7.012 1.00 0.00 H new ATOM 0 HG2 ARG S 68 -7.851 -8.896 -5.316 1.00 0.00 H new ATOM 0 HG3 ARG S 68 -8.104 -10.067 -4.037 1.00 0.00 H new ATOM 0 HD2 ARG S 68 -5.672 -9.665 -4.556 1.00 0.00 H new ATOM 0 HD3 ARG S 68 -6.142 -11.347 -4.699 1.00 0.00 H new ATOM 0 HE ARG S 68 -5.588 -11.283 -6.954 1.00 0.00 H new ATOM 0 HH11 ARG S 68 -6.048 -7.983 -5.740 1.00 0.00 H new ATOM 0 HH12 ARG S 68 -5.612 -7.222 -7.274 1.00 0.00 H new ATOM 0 HH21 ARG S 68 -5.095 -10.293 -8.954 1.00 0.00 H new ATOM 0 HH22 ARG S 68 -5.072 -8.532 -9.098 1.00 0.00 H new ATOM 1130 N LEU S 69 -11.533 -10.566 -8.035 1.00 0.00 N ATOM 1131 CA LEU S 69 -11.859 -10.524 -9.457 1.00 0.00 C ATOM 1132 C LEU S 69 -10.606 -10.797 -10.336 1.00 0.00 C ATOM 1133 O LEU S 69 -9.840 -9.889 -10.634 1.00 0.00 O ATOM 1134 CB LEU S 69 -12.614 -9.236 -9.842 1.00 0.00 C ATOM 1135 CG LEU S 69 -14.148 -9.389 -9.759 1.00 0.00 C ATOM 1136 CD1 LEU S 69 -14.843 -8.033 -9.935 1.00 0.00 C ATOM 1137 CD2 LEU S 69 -14.677 -10.395 -10.799 1.00 0.00 C ATOM 0 H LEU S 69 -12.136 -11.201 -7.512 1.00 0.00 H new ATOM 0 HA LEU S 69 -12.555 -11.338 -9.662 1.00 0.00 H new ATOM 0 HB2 LEU S 69 -12.299 -8.426 -9.184 1.00 0.00 H new ATOM 0 HB3 LEU S 69 -12.337 -8.949 -10.856 1.00 0.00 H new ATOM 0 HG LEU S 69 -14.380 -9.777 -8.767 1.00 0.00 H new ATOM 0 HD11 LEU S 69 -15.923 -8.167 -9.873 1.00 0.00 H new ATOM 0 HD12 LEU S 69 -14.516 -7.352 -9.149 1.00 0.00 H new ATOM 0 HD13 LEU S 69 -14.585 -7.615 -10.908 1.00 0.00 H new ATOM 0 HD21 LEU S 69 -15.760 -10.475 -10.709 1.00 0.00 H new ATOM 0 HD22 LEU S 69 -14.420 -10.051 -11.801 1.00 0.00 H new ATOM 0 HD23 LEU S 69 -14.225 -11.371 -10.624 1.00 0.00 H new ATOM 1149 N PRO S 70 -10.407 -12.090 -10.739 1.00 0.00 N ATOM 1150 CA PRO S 70 -9.274 -12.440 -11.598 1.00 0.00 C ATOM 1151 C PRO S 70 -9.606 -12.060 -13.064 1.00 0.00 C ATOM 1152 O PRO S 70 -10.173 -11.009 -13.319 1.00 0.00 O ATOM 1153 CB PRO S 70 -9.130 -13.955 -11.342 1.00 0.00 C ATOM 1154 CG PRO S 70 -10.545 -14.444 -11.022 1.00 0.00 C ATOM 1155 CD PRO S 70 -11.223 -13.247 -10.354 1.00 0.00 C ATOM 0 HA PRO S 70 -8.338 -11.919 -11.396 1.00 0.00 H new ATOM 0 HB2 PRO S 70 -8.725 -14.465 -12.216 1.00 0.00 H new ATOM 0 HB3 PRO S 70 -8.449 -14.152 -10.514 1.00 0.00 H new ATOM 0 HG2 PRO S 70 -11.074 -14.746 -11.926 1.00 0.00 H new ATOM 0 HG3 PRO S 70 -10.525 -15.309 -10.360 1.00 0.00 H new ATOM 0 HD2 PRO S 70 -12.253 -13.135 -10.694 1.00 0.00 H new ATOM 0 HD3 PRO S 70 -11.256 -13.365 -9.271 1.00 0.00 H new ATOM 1163 N TYR S 71 -9.277 -12.973 -14.007 1.00 0.00 N ATOM 1164 CA TYR S 71 -9.693 -12.776 -15.395 1.00 0.00 C ATOM 1165 C TYR S 71 -11.226 -12.939 -15.482 1.00 0.00 C ATOM 1166 O TYR S 71 -11.976 -11.975 -15.429 1.00 0.00 O ATOM 1167 CB TYR S 71 -8.900 -13.740 -16.313 1.00 0.00 C ATOM 1168 CG TYR S 71 -9.428 -13.809 -17.728 1.00 0.00 C ATOM 1169 CD1 TYR S 71 -9.302 -12.724 -18.591 1.00 0.00 C ATOM 1170 CD2 TYR S 71 -10.071 -14.959 -18.186 1.00 0.00 C ATOM 1171 CE1 TYR S 71 -9.829 -12.780 -19.877 1.00 0.00 C ATOM 1172 CE2 TYR S 71 -10.604 -15.014 -19.467 1.00 0.00 C ATOM 1173 CZ TYR S 71 -10.484 -13.922 -20.313 1.00 0.00 C ATOM 1174 OH TYR S 71 -11.015 -13.969 -21.584 1.00 0.00 O ATOM 0 H TYR S 71 -8.742 -13.823 -13.831 1.00 0.00 H new ATOM 0 HA TYR S 71 -9.464 -11.770 -15.745 1.00 0.00 H new ATOM 0 HB2 TYR S 71 -7.857 -13.425 -16.340 1.00 0.00 H new ATOM 0 HB3 TYR S 71 -8.921 -14.739 -15.879 1.00 0.00 H new ATOM 0 HD1 TYR S 71 -8.791 -11.832 -18.260 1.00 0.00 H new ATOM 0 HD2 TYR S 71 -10.155 -15.817 -17.536 1.00 0.00 H new ATOM 0 HE1 TYR S 71 -9.728 -11.932 -20.538 1.00 0.00 H new ATOM 0 HE2 TYR S 71 -11.111 -15.906 -19.804 1.00 0.00 H new ATOM 0 HH TYR S 71 -11.438 -14.841 -21.730 1.00 0.00 H new ATOM 1184 N GLU S 72 -11.628 -14.222 -15.609 1.00 0.00 N ATOM 1185 CA GLU S 72 -13.001 -14.578 -15.962 1.00 0.00 C ATOM 1186 C GLU S 72 -13.395 -13.976 -17.341 1.00 0.00 C ATOM 1187 O GLU S 72 -12.752 -13.070 -17.850 1.00 0.00 O ATOM 1188 CB GLU S 72 -13.965 -14.208 -14.812 1.00 0.00 C ATOM 1189 CG GLU S 72 -14.048 -15.328 -13.757 1.00 0.00 C ATOM 1190 CD GLU S 72 -14.266 -14.788 -12.340 1.00 0.00 C ATOM 1191 OE1 GLU S 72 -13.590 -15.073 -11.404 1.00 0.00 O ATOM 1192 OE2 GLU S 72 -15.321 -13.953 -12.266 1.00 0.00 O ATOM 0 H GLU S 72 -11.012 -15.023 -15.470 1.00 0.00 H new ATOM 0 HA GLU S 72 -13.078 -15.658 -16.085 1.00 0.00 H new ATOM 0 HB2 GLU S 72 -13.629 -13.286 -14.338 1.00 0.00 H new ATOM 0 HB3 GLU S 72 -14.958 -14.015 -15.217 1.00 0.00 H new ATOM 0 HG2 GLU S 72 -14.864 -16.004 -14.014 1.00 0.00 H new ATOM 0 HG3 GLU S 72 -13.129 -15.914 -13.781 1.00 0.00 H new ATOM 1200 N PRO S 73 -14.469 -14.549 -17.951 1.00 0.00 N ATOM 1201 CA PRO S 73 -15.056 -13.968 -19.157 1.00 0.00 C ATOM 1202 C PRO S 73 -15.894 -12.732 -18.745 1.00 0.00 C ATOM 1203 O PRO S 73 -15.348 -11.757 -18.256 1.00 0.00 O ATOM 1204 CB PRO S 73 -15.842 -15.145 -19.758 1.00 0.00 C ATOM 1205 CG PRO S 73 -16.235 -16.012 -18.557 1.00 0.00 C ATOM 1206 CD PRO S 73 -15.109 -15.801 -17.539 1.00 0.00 C ATOM 0 HA PRO S 73 -14.363 -13.579 -19.903 1.00 0.00 H new ATOM 0 HB2 PRO S 73 -16.722 -14.797 -20.299 1.00 0.00 H new ATOM 0 HB3 PRO S 73 -15.233 -15.705 -20.467 1.00 0.00 H new ATOM 0 HG2 PRO S 73 -17.199 -15.709 -18.149 1.00 0.00 H new ATOM 0 HG3 PRO S 73 -16.323 -17.061 -18.838 1.00 0.00 H new ATOM 0 HD2 PRO S 73 -15.500 -15.731 -16.524 1.00 0.00 H new ATOM 0 HD3 PRO S 73 -14.402 -16.631 -17.552 1.00 0.00 H new ATOM 1214 N LYS S 74 -17.231 -12.826 -18.930 1.00 0.00 N ATOM 1215 CA LYS S 74 -18.157 -11.761 -18.530 1.00 0.00 C ATOM 1216 C LYS S 74 -17.945 -10.498 -19.387 1.00 0.00 C ATOM 1217 O LYS S 74 -17.131 -9.635 -19.093 1.00 0.00 O ATOM 1218 CB LYS S 74 -18.081 -11.430 -17.020 1.00 0.00 C ATOM 1219 CG LYS S 74 -18.903 -12.369 -16.125 1.00 0.00 C ATOM 1220 CD LYS S 74 -18.549 -13.854 -16.275 1.00 0.00 C ATOM 1221 CE LYS S 74 -19.336 -14.739 -15.302 1.00 0.00 C ATOM 1222 NZ LYS S 74 -18.906 -14.569 -13.913 1.00 0.00 N ATOM 0 H LYS S 74 -17.686 -13.634 -19.355 1.00 0.00 H new ATOM 0 HA LYS S 74 -19.163 -12.139 -18.711 1.00 0.00 H new ATOM 0 HB2 LYS S 74 -17.038 -11.466 -16.704 1.00 0.00 H new ATOM 0 HB3 LYS S 74 -18.425 -10.407 -16.866 1.00 0.00 H new ATOM 0 HG2 LYS S 74 -18.761 -12.077 -15.085 1.00 0.00 H new ATOM 0 HG3 LYS S 74 -19.961 -12.235 -16.352 1.00 0.00 H new ATOM 0 HD2 LYS S 74 -18.751 -14.172 -17.298 1.00 0.00 H new ATOM 0 HD3 LYS S 74 -17.481 -13.990 -16.104 1.00 0.00 H new ATOM 0 HE2 LYS S 74 -20.398 -14.505 -15.381 1.00 0.00 H new ATOM 0 HE3 LYS S 74 -19.218 -15.784 -15.590 1.00 0.00 H new ATOM 0 HZ1 LYS S 74 -19.397 -15.260 -13.311 1.00 0.00 H new ATOM 0 HZ2 LYS S 74 -17.879 -14.719 -13.847 1.00 0.00 H new ATOM 0 HZ3 LYS S 74 -19.137 -13.607 -13.594 1.00 0.00 H new ATOM 1236 N LEU S 75 -18.758 -10.440 -20.455 1.00 0.00 N ATOM 1237 CA LEU S 75 -18.682 -9.328 -21.386 1.00 0.00 C ATOM 1238 C LEU S 75 -20.103 -9.140 -21.930 1.00 0.00 C ATOM 1239 O LEU S 75 -20.866 -10.097 -21.991 1.00 0.00 O ATOM 1240 CB LEU S 75 -17.628 -9.670 -22.455 1.00 0.00 C ATOM 1241 CG LEU S 75 -17.243 -8.487 -23.364 1.00 0.00 C ATOM 1242 CD1 LEU S 75 -15.719 -8.312 -23.439 1.00 0.00 C ATOM 1243 CD2 LEU S 75 -17.833 -8.654 -24.768 1.00 0.00 C ATOM 0 H LEU S 75 -19.461 -11.143 -20.683 1.00 0.00 H new ATOM 0 HA LEU S 75 -18.361 -8.386 -20.942 1.00 0.00 H new ATOM 0 HB2 LEU S 75 -16.730 -10.040 -21.959 1.00 0.00 H new ATOM 0 HB3 LEU S 75 -18.007 -10.482 -23.076 1.00 0.00 H new ATOM 0 HG LEU S 75 -17.665 -7.585 -22.920 1.00 0.00 H new ATOM 0 HD11 LEU S 75 -15.481 -7.469 -24.088 1.00 0.00 H new ATOM 0 HD12 LEU S 75 -15.325 -8.124 -22.440 1.00 0.00 H new ATOM 0 HD13 LEU S 75 -15.268 -9.219 -23.842 1.00 0.00 H new ATOM 0 HD21 LEU S 75 -17.545 -7.804 -25.387 1.00 0.00 H new ATOM 0 HD22 LEU S 75 -17.455 -9.573 -25.215 1.00 0.00 H new ATOM 0 HD23 LEU S 75 -18.920 -8.703 -24.702 1.00 0.00 H new ATOM 1255 N LYS S 76 -20.410 -7.862 -22.223 1.00 0.00 N ATOM 1256 CA LYS S 76 -21.733 -7.453 -22.682 1.00 0.00 C ATOM 1257 C LYS S 76 -21.798 -7.520 -24.216 1.00 0.00 C ATOM 1258 O LYS S 76 -20.773 -7.295 -24.857 1.00 0.00 O ATOM 1259 CB LYS S 76 -21.981 -5.989 -22.286 1.00 0.00 C ATOM 1260 CG LYS S 76 -22.249 -5.762 -20.788 1.00 0.00 C ATOM 1261 CD LYS S 76 -23.718 -5.428 -20.463 1.00 0.00 C ATOM 1262 CE LYS S 76 -24.300 -4.261 -21.282 1.00 0.00 C ATOM 1263 NZ LYS S 76 -23.301 -3.254 -21.644 1.00 0.00 N ATOM 0 H LYS S 76 -19.744 -7.093 -22.146 1.00 0.00 H new ATOM 0 HA LYS S 76 -22.474 -8.115 -22.234 1.00 0.00 H new ATOM 0 HB2 LYS S 76 -21.115 -5.396 -22.580 1.00 0.00 H new ATOM 0 HB3 LYS S 76 -22.832 -5.613 -22.854 1.00 0.00 H new ATOM 0 HG2 LYS S 76 -21.959 -6.657 -20.237 1.00 0.00 H new ATOM 0 HG3 LYS S 76 -21.614 -4.950 -20.434 1.00 0.00 H new ATOM 0 HD2 LYS S 76 -24.327 -6.316 -20.635 1.00 0.00 H new ATOM 0 HD3 LYS S 76 -23.797 -5.187 -19.403 1.00 0.00 H new ATOM 0 HE2 LYS S 76 -24.755 -4.655 -22.191 1.00 0.00 H new ATOM 0 HE3 LYS S 76 -25.095 -3.785 -20.709 1.00 0.00 H new ATOM 0 HZ1 LYS S 76 -23.768 -2.335 -21.783 1.00 0.00 H new ATOM 0 HZ2 LYS S 76 -22.598 -3.173 -20.882 1.00 0.00 H new ATOM 0 HZ3 LYS S 76 -22.826 -3.537 -22.525 1.00 0.00 H new TER 1277 LYS S 76